| Chain sequence(s) |
A: PRGSHMVMLAQQWRDARPKVAGLHLDSGACSRQSFAVIDATTAHARHEAEVGGYVAAEAATPALDAGRAAVASLIGFAASDVVYTSGSNHAIDLLLSSWPGKRTLACLPGEFGPNLSAMAANGFQVRALPVDDDGRVLVDEASHELSAHPVALVHLTALASHRGIAQPAAELVEACHNAGIPVVIDAAQALGHLDCNVGADAVYSSSRKWLAGPRGVGVLAVRPELAERLQPRIPPSDWPIPMSVLEKLELGEHNAAARVGFSVAVGEHLAAGPTAVRERLAEVGRLSRQVLAEVDGWRVVEPVDQPTAITTLESTDGADPASVRSWLIAERGIVTTACELARAPFEMRTPVLRISPHVDVTVDELEQFAAALREAPA
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | Yes |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:02:50)
[INFO] Auto_mut: Residue number 340 from chain A and a score of 1.508 (phenylalanine)
selected for automated muatation (00:02:52)
[INFO] Auto_mut: Residue number 1 from chain A and a score of 1.147 (valine) selected for
automated muatation (00:02:52)
[INFO] Auto_mut: Residue number 48 from chain A and a score of 1.105 (tyrosine) selected for
automated muatation (00:02:52)
[INFO] Auto_mut: Residue number 0 from chain A and a score of 1.033 (methionine) selected
for automated muatation (00:02:52)
[INFO] Auto_mut: Residue number 29 from chain A and a score of 1.014 (phenylalanine)
selected for automated muatation (00:02:52)
[INFO] Auto_mut: Residue number 228 from chain A and a score of 1.002 (isoleucine) selected
for automated muatation (00:02:52)
[INFO] Auto_mut: Residue number 2 from chain A and a score of 1.001 (methionine) selected
for automated muatation (00:02:52)
[INFO] Auto_mut: Residue number 235 from chain A and a score of 0.953 (isoleucine) selected
for automated muatation (00:02:52)
[INFO] Auto_mut: Residue number 103 from chain A and a score of 0.560 (proline) selected for
automated muatation (00:02:52)
[INFO] Auto_mut: Residue number 49 from chain A and a score of 0.527 (valine) selected for
automated muatation (00:02:52)
[INFO] Auto_mut: Residue number 298 from chain A and a score of 0.446 (valine) selected for
automated muatation (00:02:52)
[INFO] Auto_mut: Residue number 45 from chain A and a score of 0.418 (valine) selected for
automated muatation (00:02:52)
[INFO] Auto_mut: Residue number 229 from chain A and a score of 0.404 (proline) selected for
automated muatation (00:02:52)
[INFO] Auto_mut: Residue number 245 from chain A and a score of 0.394 (leucine) selected for
automated muatation (00:02:52)
[INFO] Auto_mut: Residue number 30 from chain A and a score of 0.392 (alanine) selected for
automated muatation (00:02:52)
[INFO] Auto_mut: Residue number 32 from chain A and a score of 0.378 (isoleucine) selected
for automated muatation (00:02:52)
[INFO] Auto_mut: Residue number 106 from chain A and a score of 0.377 (phenylalanine)
selected for automated muatation (00:02:52)
[INFO] Auto_mut: Residue number 339 from chain A and a score of 0.369 (proline) selected for
automated muatation (00:02:52)
[INFO] Auto_mut: Residue number 264 from chain A and a score of 0.324 (leucine) selected for
automated muatation (00:02:52)
[INFO] Auto_mut: Residue number 122 from chain A and a score of 0.310 (alanine) selected for
automated muatation (00:02:52)
[INFO] Auto_mut: Residue number 329 from chain A and a score of 0.290 (valine) selected for
automated muatation (00:02:52)
[INFO] Auto_mut: Residue number 258 from chain A and a score of 0.289 (valine) selected for
automated muatation (00:02:52)
[INFO] Auto_mut: Residue number 107 from chain A and a score of 0.264 (glycine) selected for
automated muatation (00:02:52)
[INFO] Auto_mut: Residue number 236 from chain A and a score of 0.206 (proline) selected for
automated muatation (00:02:52)
[INFO] Auto_mut: Residue number 3 from chain A and a score of 0.187 (leucine) selected for
automated muatation (00:02:52)
[INFO] Auto_mut: Residue number 110 from chain A and a score of 0.132 (leucine) selected for
automated muatation (00:02:52)
[INFO] Auto_mut: Residue number 265 from chain A and a score of 0.112 (alanine) selected for
automated muatation (00:02:52)
[INFO] Auto_mut: Residue number 23 from chain A and a score of 0.086 (alanine) selected for
automated muatation (00:02:52)
[INFO] Auto_mut: Residue number 46 from chain A and a score of 0.030 (glycine) selected for
automated muatation (00:02:52)
[INFO] Auto_mut: Residue number 297 from chain A and a score of 0.022 (proline) selected for
automated muatation (00:02:52)
[INFO] Auto_mut: Residue number 402 from chain A and a score of 0.013 (alanine) selected for
automated muatation (00:02:52)
[INFO] Auto_mut: Residue number 261 from chain A and a score of -0.018 (glycine) selected
for automated muatation (00:02:52)
[INFO] Auto_mut: Residue number 18 from chain A and a score of -0.027 (histidine) selected
for automated muatation (00:02:52)
[INFO] Auto_mut: Residue number 154 from chain A and a score of -0.031 (alanine) selected
for automated muatation (00:02:52)
[INFO] Auto_mut: Residue number 234 from chain A and a score of -0.032 (proline) selected
for automated muatation (00:02:52)
[INFO] Auto_mut: Residue number 237 from chain A and a score of -0.053 (methionine) selected
for automated muatation (00:02:52)
[INFO] Auto_mut: Residue number 295 from chain A and a score of -0.069 (valine) selected for
automated muatation (00:02:52)
[INFO] Auto_mut: Residue number 267 from chain A and a score of -0.077 (glycine) selected
for automated muatation (00:02:52)
[INFO] Auto_mut: Residue number 266 from chain A and a score of -0.106 (alanine) selected
for automated muatation (00:02:52)
[INFO] Auto_mut: Residue number 336 from chain A and a score of -0.152 (alanine) selected
for automated muatation (00:02:52)
[INFO] Auto_mut: Residue number 160 from chain A and a score of -0.187 (alanine) selected
for automated muatation (00:02:52)
[INFO] Auto_mut: Residue number 182 from chain A and a score of -0.200 (alanine) selected
for automated muatation (00:02:52)
[INFO] Auto_mut: Mutating residue number 0 from chain A (methionine) into aspartic acid (00:02:52)
[INFO] Auto_mut: Mutating residue number 235 from chain A (isoleucine) into glutamic acid (00:02:52)
[INFO] Auto_mut: Mutating residue number 340 from chain A (phenylalanine) into glutamic acid
Mutating residue number 340 from chain A (phenylalanine) into glutamic acid (00:02:52)
[INFO] Auto_mut: Mutating residue number 235 from chain A (isoleucine) into lysine (00:04:18)
[INFO] Auto_mut: Mutating residue number 0 from chain A (methionine) into arginine (00:04:19)
[INFO] Auto_mut: Mutating residue number 340 from chain A (phenylalanine) into lysine (00:04:19)
[INFO] Auto_mut: Mutating residue number 29 from chain A (phenylalanine) into glutamic acid
Mutating residue number 29 from chain A (phenylalanine) into glutamic acid (00:05:49)
[INFO] Auto_mut: Mutating residue number 235 from chain A (isoleucine) into aspartic acid (00:05:54)
[INFO] Auto_mut: Mutating residue number 340 from chain A (phenylalanine) into aspartic acid
Mutating residue number 340 from chain A (phenylalanine) into aspartic acid (00:05:57)
[INFO] Auto_mut: Mutating residue number 29 from chain A (phenylalanine) into lysine (00:07:16)
[INFO] Auto_mut: Mutating residue number 235 from chain A (isoleucine) into arginine (00:07:17)
[INFO] Auto_mut: Mutating residue number 340 from chain A (phenylalanine) into arginine (00:07:22)
[INFO] Auto_mut: Mutating residue number 103 from chain A (proline) into glutamic acid (00:08:47)
[INFO] Auto_mut: Mutating residue number 29 from chain A (phenylalanine) into aspartic acid
Mutating residue number 29 from chain A (phenylalanine) into aspartic acid (00:08:55)
[INFO] Auto_mut: Mutating residue number 1 from chain A (valine) into glutamic acid (00:08:57)
[INFO] Auto_mut: Mutating residue number 103 from chain A (proline) into lysine (00:10:09)
[INFO] Auto_mut: Mutating residue number 29 from chain A (phenylalanine) into arginine (00:10:21)
[INFO] Auto_mut: Mutating residue number 1 from chain A (valine) into lysine (00:10:27)
[INFO] Auto_mut: Mutating residue number 103 from chain A (proline) into aspartic acid (00:11:47)
[INFO] Auto_mut: Mutating residue number 228 from chain A (isoleucine) into glutamic acid (00:11:55)
[INFO] Auto_mut: Mutating residue number 1 from chain A (valine) into aspartic acid (00:12:14)
[INFO] Auto_mut: Mutating residue number 103 from chain A (proline) into arginine (00:13:11)
[INFO] Auto_mut: Mutating residue number 228 from chain A (isoleucine) into lysine (00:13:22)
[INFO] Auto_mut: Mutating residue number 1 from chain A (valine) into arginine (00:13:41)
[INFO] Auto_mut: Mutating residue number 49 from chain A (valine) into glutamic acid (00:14:48)
[INFO] Auto_mut: Mutating residue number 228 from chain A (isoleucine) into aspartic acid (00:14:57)
[INFO] Auto_mut: Mutating residue number 48 from chain A (tyrosine) into glutamic acid (00:15:14)
[INFO] Auto_mut: Mutating residue number 49 from chain A (valine) into lysine (00:16:15)
[INFO] Auto_mut: Mutating residue number 228 from chain A (isoleucine) into arginine (00:16:21)
[INFO] Auto_mut: Mutating residue number 48 from chain A (tyrosine) into lysine (00:16:38)
[INFO] Auto_mut: Mutating residue number 49 from chain A (valine) into aspartic acid (00:17:44)
[INFO] Auto_mut: Mutating residue number 2 from chain A (methionine) into glutamic acid (00:17:54)
[INFO] Auto_mut: Mutating residue number 48 from chain A (tyrosine) into aspartic acid (00:18:13)
[INFO] Auto_mut: Mutating residue number 49 from chain A (valine) into arginine (00:19:09)
[INFO] Auto_mut: Mutating residue number 2 from chain A (methionine) into lysine (00:19:28)
[INFO] Auto_mut: Mutating residue number 48 from chain A (tyrosine) into arginine (00:19:38)
[INFO] Auto_mut: Mutating residue number 298 from chain A (valine) into glutamic acid (00:20:36)
[INFO] Auto_mut: Mutating residue number 0 from chain A (methionine) into glutamic acid (00:21:07)
[INFO] Auto_mut: Mutating residue number 2 from chain A (methionine) into aspartic acid (00:21:10)
[INFO] Auto_mut: Mutating residue number 298 from chain A (valine) into lysine (00:22:01)
[INFO] Auto_mut: Mutating residue number 0 from chain A (methionine) into lysine (00:22:31)
[INFO] Auto_mut: Mutating residue number 2 from chain A (methionine) into arginine (00:22:41)
[INFO] Auto_mut: Mutating residue number 298 from chain A (valine) into aspartic acid (00:23:38)
[INFO] Auto_mut: Mutating residue number 30 from chain A (alanine) into glutamic acid (00:23:59)
[INFO] Auto_mut: Mutating residue number 339 from chain A (proline) into aspartic acid (00:24:25)
[INFO] Auto_mut: Mutating residue number 298 from chain A (valine) into arginine (00:25:01)
[INFO] Auto_mut: Mutating residue number 30 from chain A (alanine) into lysine (00:25:30)
[INFO] Auto_mut: Mutating residue number 339 from chain A (proline) into arginine (00:25:49)
[INFO] Auto_mut: Mutating residue number 45 from chain A (valine) into glutamic acid (00:26:30)
[INFO] Auto_mut: Mutating residue number 30 from chain A (alanine) into aspartic acid (00:27:07)
[INFO] Auto_mut: Mutating residue number 264 from chain A (leucine) into glutamic acid (00:27:19)
[INFO] Auto_mut: Mutating residue number 45 from chain A (valine) into lysine (00:27:50)
[INFO] Auto_mut: Mutating residue number 30 from chain A (alanine) into arginine (00:28:33)
[INFO] Auto_mut: Mutating residue number 264 from chain A (leucine) into lysine (00:28:49)
[INFO] Auto_mut: Mutating residue number 45 from chain A (valine) into aspartic acid (00:29:26)
[INFO] Auto_mut: Mutating residue number 32 from chain A (isoleucine) into glutamic acid (00:30:09)
[INFO] Auto_mut: Mutating residue number 264 from chain A (leucine) into aspartic acid (00:30:35)
[INFO] Auto_mut: Mutating residue number 45 from chain A (valine) into arginine (00:30:55)
[INFO] Auto_mut: Mutating residue number 32 from chain A (isoleucine) into lysine (00:31:39)
[INFO] Auto_mut: Mutating residue number 264 from chain A (leucine) into arginine (00:32:07)
[INFO] Auto_mut: Mutating residue number 229 from chain A (proline) into glutamic acid (00:32:22)
[INFO] Auto_mut: Mutating residue number 32 from chain A (isoleucine) into aspartic acid (00:33:24)
[INFO] Auto_mut: Mutating residue number 122 from chain A (alanine) into glutamic acid (00:33:48)
[INFO] Auto_mut: Mutating residue number 229 from chain A (proline) into lysine (00:33:48)
[INFO] Auto_mut: Mutating residue number 32 from chain A (isoleucine) into arginine (00:34:51)
[INFO] Auto_mut: Mutating residue number 122 from chain A (alanine) into lysine (00:35:16)
[INFO] Auto_mut: Mutating residue number 229 from chain A (proline) into aspartic acid (00:35:32)
[INFO] Auto_mut: Mutating residue number 106 from chain A (phenylalanine) into glutamic acid
Mutating residue number 106 from chain A (phenylalanine) into glutamic acid (00:36:35)
[INFO] Auto_mut: Mutating residue number 229 from chain A (proline) into arginine (00:36:58)
[INFO] Auto_mut: Mutating residue number 122 from chain A (alanine) into aspartic acid (00:37:00)
[INFO] Auto_mut: Mutating residue number 106 from chain A (phenylalanine) into lysine (00:38:13)
[INFO] Auto_mut: Mutating residue number 245 from chain A (leucine) into glutamic acid (00:38:26)
[INFO] Auto_mut: Mutating residue number 122 from chain A (alanine) into arginine (00:38:33)
[INFO] Auto_mut: Mutating residue number 245 from chain A (leucine) into lysine (00:39:52)
[INFO] Auto_mut: Mutating residue number 329 from chain A (valine) into glutamic acid (00:39:59)
[INFO] Auto_mut: Mutating residue number 106 from chain A (phenylalanine) into aspartic acid
Mutating residue number 106 from chain A (phenylalanine) into aspartic acid (00:40:23)
[INFO] Auto_mut: Mutating residue number 245 from chain A (leucine) into aspartic acid (00:41:33)
[INFO] Auto_mut: Mutating residue number 329 from chain A (valine) into lysine (00:41:35)
[INFO] Auto_mut: Mutating residue number 106 from chain A (phenylalanine) into arginine (00:41:52)
[INFO] Auto_mut: Mutating residue number 245 from chain A (leucine) into arginine (00:42:59)
[INFO] Auto_mut: Mutating residue number 329 from chain A (valine) into aspartic acid (00:43:23)
[INFO] Auto_mut: Mutating residue number 339 from chain A (proline) into glutamic acid (00:43:43)
[INFO] Auto_mut: Mutating residue number 258 from chain A (valine) into glutamic acid (00:44:26)
[INFO] Auto_mut: Mutating residue number 329 from chain A (valine) into arginine (00:44:54)
[INFO] Auto_mut: Mutating residue number 339 from chain A (proline) into lysine (00:45:10)
[INFO] Auto_mut: Mutating residue number 258 from chain A (valine) into lysine (00:45:52)
[INFO] Auto_mut: Mutating residue number 3 from chain A (leucine) into aspartic acid (00:46:33)
[INFO] Auto_mut: Mutating residue number 46 from chain A (glycine) into glutamic acid (00:46:47)
[INFO] Auto_mut: Mutating residue number 258 from chain A (valine) into aspartic acid (00:47:25)
[INFO] Auto_mut: Mutating residue number 3 from chain A (leucine) into arginine (00:47:59)
[INFO] Auto_mut: Mutating residue number 46 from chain A (glycine) into lysine (00:48:15)
[INFO] Auto_mut: Mutating residue number 258 from chain A (valine) into arginine (00:48:54)
[INFO] Auto_mut: Mutating residue number 110 from chain A (leucine) into glutamic acid (00:49:31)
[INFO] Auto_mut: Mutating residue number 46 from chain A (glycine) into aspartic acid (00:49:44)
[INFO] Auto_mut: Mutating residue number 107 from chain A (glycine) into glutamic acid (00:50:24)
[INFO] Auto_mut: Mutating residue number 110 from chain A (leucine) into lysine (00:50:57)
[INFO] Auto_mut: Mutating residue number 46 from chain A (glycine) into arginine (00:51:10)
[INFO] Auto_mut: Mutating residue number 107 from chain A (glycine) into lysine (00:51:54)
[INFO] Auto_mut: Mutating residue number 110 from chain A (leucine) into aspartic acid (00:52:30)
[INFO] Auto_mut: Mutating residue number 297 from chain A (proline) into glutamic acid (00:52:38)
[INFO] Auto_mut: Mutating residue number 107 from chain A (glycine) into aspartic acid (00:53:55)
[INFO] Auto_mut: Mutating residue number 110 from chain A (leucine) into arginine (00:53:55)
[INFO] Auto_mut: Mutating residue number 297 from chain A (proline) into lysine (00:54:06)
[INFO] Auto_mut: Mutating residue number 107 from chain A (glycine) into arginine (00:55:16)
[INFO] Auto_mut: Mutating residue number 265 from chain A (alanine) into glutamic acid (00:55:20)
[INFO] Auto_mut: Mutating residue number 297 from chain A (proline) into aspartic acid (00:55:53)
[INFO] Auto_mut: Mutating residue number 265 from chain A (alanine) into lysine (00:56:41)
[INFO] Auto_mut: Mutating residue number 236 from chain A (proline) into glutamic acid (00:56:50)
[INFO] Auto_mut: Mutating residue number 297 from chain A (proline) into arginine (00:57:18)
[INFO] Auto_mut: Mutating residue number 236 from chain A (proline) into lysine (00:58:12)
[INFO] Auto_mut: Mutating residue number 265 from chain A (alanine) into aspartic acid (00:58:18)
[INFO] Auto_mut: Mutating residue number 402 from chain A (alanine) into glutamic acid (00:59:04)
[INFO] Auto_mut: Mutating residue number 265 from chain A (alanine) into arginine (00:59:39)
[INFO] Auto_mut: Mutating residue number 236 from chain A (proline) into aspartic acid (00:59:55)
[INFO] Auto_mut: Mutating residue number 402 from chain A (alanine) into lysine (01:00:41)
[INFO] Auto_mut: Mutating residue number 23 from chain A (alanine) into glutamic acid (01:01:12)
[INFO] Auto_mut: Mutating residue number 236 from chain A (proline) into arginine (01:01:18)
[INFO] Auto_mut: Mutating residue number 402 from chain A (alanine) into aspartic acid (01:02:34)
[INFO] Auto_mut: Mutating residue number 23 from chain A (alanine) into lysine (01:02:36)
[INFO] Auto_mut: Mutating residue number 3 from chain A (leucine) into glutamic acid (01:02:56)
[INFO] Auto_mut: Mutating residue number 402 from chain A (alanine) into arginine (01:04:05)
[INFO] Auto_mut: Mutating residue number 23 from chain A (alanine) into aspartic acid (01:04:17)
[INFO] Auto_mut: Mutating residue number 3 from chain A (leucine) into lysine (01:04:26)
[INFO] Auto_mut: Mutating residue number 23 from chain A (alanine) into arginine (01:05:44)
[INFO] Auto_mut: Mutating residue number 261 from chain A (glycine) into glutamic acid (01:05:55)
[INFO] Auto_mut: Mutating residue number 261 from chain A (glycine) into aspartic acid (01:06:00)
[INFO] Auto_mut: Mutating residue number 237 from chain A (methionine) into glutamic acid (01:07:13)
[INFO] Auto_mut: Mutating residue number 261 from chain A (glycine) into lysine (01:07:20)
[INFO] Auto_mut: Mutating residue number 261 from chain A (glycine) into arginine (01:07:22)
[INFO] Auto_mut: Mutating residue number 237 from chain A (methionine) into lysine (01:08:42)
[INFO] Auto_mut: Mutating residue number 18 from chain A (histidine) into glutamic acid (01:08:54)
[INFO] Auto_mut: Mutating residue number 266 from chain A (alanine) into aspartic acid (01:09:03)
[INFO] Auto_mut: Mutating residue number 18 from chain A (histidine) into lysine (01:10:23)
[INFO] Auto_mut: Mutating residue number 237 from chain A (methionine) into aspartic acid (01:10:24)
[INFO] Auto_mut: Mutating residue number 266 from chain A (alanine) into arginine (01:10:33)
[INFO] Auto_mut: Mutating residue number 237 from chain A (methionine) into arginine (01:11:56)
[INFO] Auto_mut: Mutating residue number 18 from chain A (histidine) into aspartic acid (01:12:01)
[INFO] Auto_mut: Mutating residue number 336 from chain A (alanine) into glutamic acid (01:12:07)
[INFO] Auto_mut: Mutating residue number 295 from chain A (valine) into glutamic acid (01:13:23)
[INFO] Auto_mut: Mutating residue number 18 from chain A (histidine) into arginine (01:13:30)
[INFO] Auto_mut: Mutating residue number 336 from chain A (alanine) into lysine (01:13:36)
[INFO] Auto_mut: Mutating residue number 295 from chain A (valine) into lysine (01:14:54)
[INFO] Auto_mut: Mutating residue number 154 from chain A (alanine) into glutamic acid (01:15:00)
[INFO] Auto_mut: Mutating residue number 336 from chain A (alanine) into aspartic acid (01:15:14)
[INFO] Auto_mut: Mutating residue number 154 from chain A (alanine) into lysine (01:16:27)
[INFO] Auto_mut: Mutating residue number 295 from chain A (valine) into aspartic acid (01:16:36)
[INFO] Auto_mut: Mutating residue number 336 from chain A (alanine) into arginine (01:16:38)
[INFO] Auto_mut: Mutating residue number 154 from chain A (alanine) into aspartic acid (01:18:04)
[INFO] Auto_mut: Mutating residue number 295 from chain A (valine) into arginine (01:18:05)
[INFO] Auto_mut: Mutating residue number 160 from chain A (alanine) into glutamic acid (01:18:24)
[INFO] Auto_mut: Mutating residue number 154 from chain A (alanine) into arginine (01:19:28)
[INFO] Auto_mut: Mutating residue number 267 from chain A (glycine) into glutamic acid (01:19:31)
[INFO] Auto_mut: Mutating residue number 160 from chain A (alanine) into lysine (01:19:48)
[INFO] Auto_mut: Mutating residue number 267 from chain A (glycine) into lysine (01:20:52)
[INFO] Auto_mut: Mutating residue number 234 from chain A (proline) into glutamic acid (01:21:00)
[INFO] Auto_mut: Mutating residue number 160 from chain A (alanine) into aspartic acid (01:21:19)
[INFO] Auto_mut: Mutating residue number 234 from chain A (proline) into lysine (01:22:21)
[INFO] Auto_mut: Mutating residue number 267 from chain A (glycine) into aspartic acid (01:22:28)
[INFO] Auto_mut: Mutating residue number 160 from chain A (alanine) into arginine (01:22:42)
[INFO] Auto_mut: Mutating residue number 234 from chain A (proline) into aspartic acid (01:23:49)
[INFO] Auto_mut: Mutating residue number 267 from chain A (glycine) into arginine (01:23:52)
[INFO] Auto_mut: Mutating residue number 182 from chain A (alanine) into glutamic acid (01:24:08)
[INFO] Auto_mut: Mutating residue number 234 from chain A (proline) into arginine (01:25:11)
[INFO] Auto_mut: Mutating residue number 266 from chain A (alanine) into glutamic acid (01:25:22)
[INFO] Auto_mut: Mutating residue number 182 from chain A (alanine) into lysine (01:25:40)
[INFO] Auto_mut: Mutating residue number 266 from chain A (alanine) into lysine (01:26:45)
[INFO] Auto_mut: Mutating residue number 182 from chain A (alanine) into aspartic acid (01:27:12)
[INFO] Auto_mut: Mutating residue number 182 from chain A (alanine) into arginine (01:28:39)
[INFO] Auto_mut: Effect of mutation residue number 340 from chain A (phenylalanine) into
glutamic acid: Energy difference: 1.0048 kcal/mol, Difference in average
score from the base case: -0.0378 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 340 from chain A (phenylalanine) into
lysine: Energy difference: 0.5497 kcal/mol, Difference in average score
from the base case: -0.0365 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 340 from chain A (phenylalanine) into
aspartic acid: Energy difference: 0.9336 kcal/mol, Difference in average
score from the base case: -0.0368 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 340 from chain A (phenylalanine) into
arginine: Energy difference: 0.4602 kcal/mol, Difference in average score
from the base case: -0.0418 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 1 from chain A (valine) into glutamic
acid: Energy difference: 0.1960 kcal/mol, Difference in average score from
the base case: -0.0271 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 1 from chain A (valine) into lysine:
Energy difference: 0.0460 kcal/mol, Difference in average score from the
base case: -0.0209 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 1 from chain A (valine) into aspartic
acid: Energy difference: -0.3110 kcal/mol, Difference in average score from
the base case: -0.0229 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 1 from chain A (valine) into arginine:
Energy difference: -0.0250 kcal/mol, Difference in average score from the
base case: -0.0179 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 48 from chain A (tyrosine) into glutamic
acid: Energy difference: -0.4190 kcal/mol, Difference in average score from
the base case: -0.0312 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 48 from chain A (tyrosine) into lysine:
Energy difference: -0.0122 kcal/mol, Difference in average score from the
base case: -0.0278 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 48 from chain A (tyrosine) into aspartic
acid: Energy difference: -0.3060 kcal/mol, Difference in average score from
the base case: -0.0321 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 48 from chain A (tyrosine) into arginine:
Energy difference: -0.0731 kcal/mol, Difference in average score from the
base case: -0.0324 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 0 from chain A (methionine) into glutamic
acid: Energy difference: -0.2895 kcal/mol, Difference in average score from
the base case: -0.0297 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 0 from chain A (methionine) into lysine:
Energy difference: -0.0615 kcal/mol, Difference in average score from the
base case: -0.0269 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 0 from chain A (methionine) into aspartic
acid: Energy difference: -0.4614 kcal/mol, Difference in average score from
the base case: -0.0291 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 0 from chain A (methionine) into
arginine: Energy difference: 0.0247 kcal/mol, Difference in average score
from the base case: -0.0289 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 29 from chain A (phenylalanine) into
glutamic acid: Energy difference: 1.3271 kcal/mol, Difference in average
score from the base case: -0.0338 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 29 from chain A (phenylalanine) into
lysine: Energy difference: 0.5341 kcal/mol, Difference in average score
from the base case: -0.0297 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 29 from chain A (phenylalanine) into
aspartic acid: Energy difference: 1.7718 kcal/mol, Difference in average
score from the base case: -0.0355 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 29 from chain A (phenylalanine) into
arginine: Energy difference: 0.2223 kcal/mol, Difference in average score
from the base case: -0.0274 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 228 from chain A (isoleucine) into
glutamic acid: Energy difference: -0.0382 kcal/mol, Difference in average
score from the base case: -0.0386 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 228 from chain A (isoleucine) into
lysine: Energy difference: -0.1812 kcal/mol, Difference in average score
from the base case: -0.0404 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 228 from chain A (isoleucine) into
aspartic acid: Energy difference: 0.5087 kcal/mol, Difference in average
score from the base case: -0.0395 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 228 from chain A (isoleucine) into
arginine: Energy difference: -0.3146 kcal/mol, Difference in average score
from the base case: -0.0446 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 2 from chain A (methionine) into glutamic
acid: Energy difference: -0.5160 kcal/mol, Difference in average score from
the base case: -0.0365 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 2 from chain A (methionine) into lysine:
Energy difference: 0.0066 kcal/mol, Difference in average score from the
base case: -0.0291 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 2 from chain A (methionine) into aspartic
acid: Energy difference: -0.9425 kcal/mol, Difference in average score from
the base case: -0.0352 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 2 from chain A (methionine) into
arginine: Energy difference: 0.1104 kcal/mol, Difference in average score
from the base case: -0.0321 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 235 from chain A (isoleucine) into
glutamic acid: Energy difference: 0.1812 kcal/mol, Difference in average
score from the base case: -0.0286 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 235 from chain A (isoleucine) into
lysine: Energy difference: 0.4869 kcal/mol, Difference in average score
from the base case: -0.0288 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 235 from chain A (isoleucine) into
aspartic acid: Energy difference: 1.1856 kcal/mol, Difference in average
score from the base case: -0.0281 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 235 from chain A (isoleucine) into
arginine: Energy difference: 0.4185 kcal/mol, Difference in average score
from the base case: -0.0353 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 103 from chain A (proline) into glutamic
acid: Energy difference: 2.6804 kcal/mol, Difference in average score from
the base case: -0.0111 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 103 from chain A (proline) into lysine:
Energy difference: 1.9467 kcal/mol, Difference in average score from the
base case: -0.0120 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 103 from chain A (proline) into aspartic
acid: Energy difference: 3.2451 kcal/mol, Difference in average score from
the base case: -0.0095 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 103 from chain A (proline) into arginine:
Energy difference: 0.9865 kcal/mol, Difference in average score from the
base case: -0.0136 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 49 from chain A (valine) into glutamic
acid: Energy difference: -0.3058 kcal/mol, Difference in average score from
the base case: -0.0222 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 49 from chain A (valine) into lysine:
Energy difference: -1.0298 kcal/mol, Difference in average score from the
base case: -0.0371 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 49 from chain A (valine) into aspartic
acid: Energy difference: 0.7344 kcal/mol, Difference in average score from
the base case: -0.0297 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 49 from chain A (valine) into arginine:
Energy difference: -1.0521 kcal/mol, Difference in average score from the
base case: -0.0407 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 298 from chain A (valine) into glutamic
acid: Energy difference: -0.7259 kcal/mol, Difference in average score from
the base case: -0.0312 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 298 from chain A (valine) into lysine:
Energy difference: -0.1879 kcal/mol, Difference in average score from the
base case: -0.0305 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 298 from chain A (valine) into aspartic
acid: Energy difference: 0.4486 kcal/mol, Difference in average score from
the base case: -0.0367 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 298 from chain A (valine) into arginine:
Energy difference: 0.0151 kcal/mol, Difference in average score from the
base case: -0.0375 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 45 from chain A (valine) into glutamic
acid: Energy difference: 0.5597 kcal/mol, Difference in average score from
the base case: -0.0379 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 45 from chain A (valine) into lysine:
Energy difference: -0.0272 kcal/mol, Difference in average score from the
base case: -0.0324 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 45 from chain A (valine) into aspartic
acid: Energy difference: 0.8011 kcal/mol, Difference in average score from
the base case: -0.0428 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 45 from chain A (valine) into arginine:
Energy difference: 0.0833 kcal/mol, Difference in average score from the
base case: -0.0384 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 229 from chain A (proline) into glutamic
acid: Energy difference: 3.3599 kcal/mol, Difference in average score from
the base case: -0.0060 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 229 from chain A (proline) into lysine:
Energy difference: 3.1203 kcal/mol, Difference in average score from the
base case: -0.0082 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 229 from chain A (proline) into aspartic
acid: Energy difference: 3.3462 kcal/mol, Difference in average score from
the base case: -0.0059 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 229 from chain A (proline) into arginine:
Energy difference: 3.1095 kcal/mol, Difference in average score from the
base case: -0.0161 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 245 from chain A (leucine) into glutamic
acid: Energy difference: 0.3357 kcal/mol, Difference in average score from
the base case: -0.0350 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 245 from chain A (leucine) into lysine:
Energy difference: 0.3390 kcal/mol, Difference in average score from the
base case: -0.0334 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 245 from chain A (leucine) into aspartic
acid: Energy difference: 0.3429 kcal/mol, Difference in average score from
the base case: -0.0358 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 245 from chain A (leucine) into arginine:
Energy difference: 0.2663 kcal/mol, Difference in average score from the
base case: -0.0367 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 30 from chain A (alanine) into glutamic
acid: Energy difference: -0.2733 kcal/mol, Difference in average score from
the base case: -0.0226 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 30 from chain A (alanine) into lysine:
Energy difference: -0.6991 kcal/mol, Difference in average score from the
base case: -0.0207 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 30 from chain A (alanine) into aspartic
acid: Energy difference: 0.4662 kcal/mol, Difference in average score from
the base case: -0.0220 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 30 from chain A (alanine) into arginine:
Energy difference: -0.8245 kcal/mol, Difference in average score from the
base case: -0.0219 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 32 from chain A (isoleucine) into
glutamic acid: Energy difference: 0.7329 kcal/mol, Difference in average
score from the base case: -0.0242 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 32 from chain A (isoleucine) into lysine:
Energy difference: 0.2810 kcal/mol, Difference in average score from the
base case: -0.0231 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 32 from chain A (isoleucine) into
aspartic acid: Energy difference: 1.4270 kcal/mol, Difference in average
score from the base case: -0.0288 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 32 from chain A (isoleucine) into
arginine: Energy difference: 0.4385 kcal/mol, Difference in average score
from the base case: -0.0286 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 106 from chain A (phenylalanine) into
glutamic acid: Energy difference: 1.9034 kcal/mol, Difference in average
score from the base case: -0.0108 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 106 from chain A (phenylalanine) into
lysine: Energy difference: 0.5258 kcal/mol, Difference in average score
from the base case: -0.0092 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 106 from chain A (phenylalanine) into
aspartic acid: Energy difference: 1.6926 kcal/mol, Difference in average
score from the base case: -0.0116 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 106 from chain A (phenylalanine) into
arginine: Energy difference: -3.0412 kcal/mol, Difference in average score
from the base case: -0.0080 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 339 from chain A (proline) into glutamic
acid: Energy difference: 2.2074 kcal/mol, Difference in average score from
the base case: -0.0254 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 339 from chain A (proline) into lysine:
Energy difference: 2.2770 kcal/mol, Difference in average score from the
base case: -0.0211 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 339 from chain A (proline) into aspartic
acid: Energy difference: 2.5648 kcal/mol, Difference in average score from
the base case: -0.0199 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 339 from chain A (proline) into arginine:
Energy difference: 2.0151 kcal/mol, Difference in average score from the
base case: -0.0211 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 264 from chain A (leucine) into glutamic
acid: Energy difference: 2.0521 kcal/mol, Difference in average score from
the base case: -0.0218 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 264 from chain A (leucine) into lysine:
Energy difference: 0.6323 kcal/mol, Difference in average score from the
base case: -0.0183 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 264 from chain A (leucine) into aspartic
acid: Energy difference: 2.6416 kcal/mol, Difference in average score from
the base case: -0.0294 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 264 from chain A (leucine) into arginine:
Energy difference: 1.0925 kcal/mol, Difference in average score from the
base case: -0.0203 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 122 from chain A (alanine) into glutamic
acid: Energy difference: -0.4790 kcal/mol, Difference in average score from
the base case: -0.0192 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 122 from chain A (alanine) into lysine:
Energy difference: -0.6843 kcal/mol, Difference in average score from the
base case: -0.0186 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 122 from chain A (alanine) into aspartic
acid: Energy difference: 0.3344 kcal/mol, Difference in average score from
the base case: -0.0169 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 122 from chain A (alanine) into arginine:
Energy difference: -1.1676 kcal/mol, Difference in average score from the
base case: -0.0183 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 329 from chain A (valine) into glutamic
acid: Energy difference: 0.6493 kcal/mol, Difference in average score from
the base case: -0.0185 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 329 from chain A (valine) into lysine:
Energy difference: -0.1422 kcal/mol, Difference in average score from the
base case: -0.0192 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 329 from chain A (valine) into aspartic
acid: Energy difference: 1.0814 kcal/mol, Difference in average score from
the base case: -0.0141 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 329 from chain A (valine) into arginine:
Energy difference: -0.0904 kcal/mol, Difference in average score from the
base case: -0.0160 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 258 from chain A (valine) into glutamic
acid: Energy difference: 0.5498 kcal/mol, Difference in average score from
the base case: -0.0161 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 258 from chain A (valine) into lysine:
Energy difference: -0.2977 kcal/mol, Difference in average score from the
base case: -0.0156 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 258 from chain A (valine) into aspartic
acid: Energy difference: 1.4587 kcal/mol, Difference in average score from
the base case: -0.0166 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 258 from chain A (valine) into arginine:
Energy difference: -0.4546 kcal/mol, Difference in average score from the
base case: -0.0174 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 107 from chain A (glycine) into glutamic
acid: Energy difference: 3.4481 kcal/mol, Difference in average score from
the base case: -0.0099 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 107 from chain A (glycine) into lysine:
Energy difference: 2.5495 kcal/mol, Difference in average score from the
base case: -0.0128 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 107 from chain A (glycine) into aspartic
acid: Energy difference: 3.8455 kcal/mol, Difference in average score from
the base case: -0.0106 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 107 from chain A (glycine) into arginine:
Energy difference: 2.4068 kcal/mol, Difference in average score from the
base case: -0.0156 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 236 from chain A (proline) into glutamic
acid: Energy difference: 0.3064 kcal/mol, Difference in average score from
the base case: -0.0132 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 236 from chain A (proline) into lysine:
Energy difference: 0.2501 kcal/mol, Difference in average score from the
base case: -0.0070 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 236 from chain A (proline) into aspartic
acid: Energy difference: 0.0495 kcal/mol, Difference in average score from
the base case: -0.0145 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 236 from chain A (proline) into arginine:
Energy difference: 0.0488 kcal/mol, Difference in average score from the
base case: -0.0149 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 3 from chain A (leucine) into glutamic
acid: Energy difference: 2.3365 kcal/mol, Difference in average score from
the base case: -0.0164 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 3 from chain A (leucine) into lysine:
Energy difference: 1.4690 kcal/mol, Difference in average score from the
base case: -0.0119 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 3 from chain A (leucine) into aspartic
acid: Energy difference: 3.4938 kcal/mol, Difference in average score from
the base case: -0.0147 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 3 from chain A (leucine) into arginine:
Energy difference: 1.2216 kcal/mol, Difference in average score from the
base case: -0.0132 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 110 from chain A (leucine) into glutamic
acid: Energy difference: 2.1499 kcal/mol, Difference in average score from
the base case: -0.0140 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 110 from chain A (leucine) into lysine:
Energy difference: 1.6748 kcal/mol, Difference in average score from the
base case: -0.0145 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 110 from chain A (leucine) into aspartic
acid: Energy difference: 3.3865 kcal/mol, Difference in average score from
the base case: -0.0106 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 110 from chain A (leucine) into arginine:
Energy difference: 1.9291 kcal/mol, Difference in average score from the
base case: -0.0148 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 265 from chain A (alanine) into glutamic
acid: Energy difference: 0.1601 kcal/mol, Difference in average score from
the base case: -0.0195 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 265 from chain A (alanine) into lysine:
Energy difference: -0.2407 kcal/mol, Difference in average score from the
base case: -0.0179 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 265 from chain A (alanine) into aspartic
acid: Energy difference: 0.4831 kcal/mol, Difference in average score from
the base case: -0.0205 (01:30:08)
[INFO] Auto_mut: Effect of mutation residue number 265 from chain A (alanine) into arginine:
Energy difference: -0.4033 kcal/mol, Difference in average score from the
base case: -0.0171 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 23 from chain A (alanine) into glutamic
acid: Energy difference: 0.6069 kcal/mol, Difference in average score from
the base case: -0.0057 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 23 from chain A (alanine) into lysine:
Energy difference: -0.0678 kcal/mol, Difference in average score from the
base case: -0.0104 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 23 from chain A (alanine) into aspartic
acid: Energy difference: 1.6716 kcal/mol, Difference in average score from
the base case: -0.0076 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 23 from chain A (alanine) into arginine:
Energy difference: -0.3629 kcal/mol, Difference in average score from the
base case: -0.0098 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 46 from chain A (glycine) into glutamic
acid: Energy difference: 2.3074 kcal/mol, Difference in average score from
the base case: -0.0163 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 46 from chain A (glycine) into lysine:
Energy difference: 2.8028 kcal/mol, Difference in average score from the
base case: -0.0265 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 46 from chain A (glycine) into aspartic
acid: Energy difference: 1.7575 kcal/mol, Difference in average score from
the base case: -0.0160 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 46 from chain A (glycine) into arginine:
Energy difference: 2.2538 kcal/mol, Difference in average score from the
base case: -0.0341 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 297 from chain A (proline) into glutamic
acid: Energy difference: 1.2684 kcal/mol, Difference in average score from
the base case: -0.0262 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 297 from chain A (proline) into lysine:
Energy difference: 1.4064 kcal/mol, Difference in average score from the
base case: -0.0145 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 297 from chain A (proline) into aspartic
acid: Energy difference: 1.5090 kcal/mol, Difference in average score from
the base case: -0.0233 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 297 from chain A (proline) into arginine:
Energy difference: 0.9380 kcal/mol, Difference in average score from the
base case: -0.0105 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 402 from chain A (alanine) into glutamic
acid: Energy difference: -0.0895 kcal/mol, Difference in average score from
the base case: -0.0103 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 402 from chain A (alanine) into lysine:
Energy difference: 2.7181 kcal/mol, Difference in average score from the
base case: -0.0090 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 402 from chain A (alanine) into aspartic
acid: Energy difference: -0.4530 kcal/mol, Difference in average score from
the base case: -0.0122 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 402 from chain A (alanine) into arginine:
Energy difference: 3.0717 kcal/mol, Difference in average score from the
base case: -0.0121 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 261 from chain A (glycine) into glutamic
acid: Energy difference: -0.9417 kcal/mol, Difference in average score from
the base case: -0.0164 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 261 from chain A (glycine) into lysine:
Energy difference: -1.4485 kcal/mol, Difference in average score from the
base case: -0.0180 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 261 from chain A (glycine) into aspartic
acid: Energy difference: -0.3213 kcal/mol, Difference in average score from
the base case: -0.0191 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 261 from chain A (glycine) into arginine:
Energy difference: -1.1761 kcal/mol, Difference in average score from the
base case: -0.0197 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 18 from chain A (histidine) into glutamic
acid: Energy difference: 1.7465 kcal/mol, Difference in average score from
the base case: -0.0020 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 18 from chain A (histidine) into lysine:
Energy difference: 0.5084 kcal/mol, Difference in average score from the
base case: -0.0082 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 18 from chain A (histidine) into aspartic
acid: Energy difference: 1.3938 kcal/mol, Difference in average score from
the base case: -0.0071 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 18 from chain A (histidine) into
arginine: Energy difference: 0.0548 kcal/mol, Difference in average score
from the base case: -0.0083 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 154 from chain A (alanine) into glutamic
acid: Energy difference: 0.4430 kcal/mol, Difference in average score from
the base case: -0.0065 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 154 from chain A (alanine) into lysine:
Energy difference: -0.9971 kcal/mol, Difference in average score from the
base case: -0.0032 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 154 from chain A (alanine) into aspartic
acid: Energy difference: 3.4248 kcal/mol, Difference in average score from
the base case: -0.0036 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 154 from chain A (alanine) into arginine:
Energy difference: -2.0562 kcal/mol, Difference in average score from the
base case: -0.0063 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 234 from chain A (proline) into glutamic
acid: Energy difference: 0.6202 kcal/mol, Difference in average score from
the base case: -0.0185 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 234 from chain A (proline) into lysine:
Energy difference: 0.4759 kcal/mol, Difference in average score from the
base case: -0.0201 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 234 from chain A (proline) into aspartic
acid: Energy difference: 0.6454 kcal/mol, Difference in average score from
the base case: -0.0188 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 234 from chain A (proline) into arginine:
Energy difference: 0.5541 kcal/mol, Difference in average score from the
base case: -0.0220 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 237 from chain A (methionine) into
glutamic acid: Energy difference: 3.5215 kcal/mol, Difference in average
score from the base case: -0.0186 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 237 from chain A (methionine) into
lysine: Energy difference: 1.0680 kcal/mol, Difference in average score
from the base case: -0.0031 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 237 from chain A (methionine) into
aspartic acid: Energy difference: 3.8971 kcal/mol, Difference in average
score from the base case: -0.0087 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 237 from chain A (methionine) into
arginine: Energy difference: 0.5082 kcal/mol, Difference in average score
from the base case: -0.0076 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 295 from chain A (valine) into glutamic
acid: Energy difference: 1.6441 kcal/mol, Difference in average score from
the base case: -0.0066 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 295 from chain A (valine) into lysine:
Energy difference: 1.1471 kcal/mol, Difference in average score from the
base case: -0.0053 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 295 from chain A (valine) into aspartic
acid: Energy difference: 1.2389 kcal/mol, Difference in average score from
the base case: -0.0075 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 295 from chain A (valine) into arginine:
Energy difference: 1.2072 kcal/mol, Difference in average score from the
base case: -0.0047 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 267 from chain A (glycine) into glutamic
acid: Energy difference: 1.9023 kcal/mol, Difference in average score from
the base case: -0.0205 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 267 from chain A (glycine) into lysine:
Energy difference: 1.8997 kcal/mol, Difference in average score from the
base case: -0.0219 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 267 from chain A (glycine) into aspartic
acid: Energy difference: -0.5386 kcal/mol, Difference in average score from
the base case: -0.0149 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 267 from chain A (glycine) into arginine:
Energy difference: 1.4941 kcal/mol, Difference in average score from the
base case: -0.0244 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 266 from chain A (alanine) into glutamic
acid: Energy difference: 0.2825 kcal/mol, Difference in average score from
the base case: -0.0054 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 266 from chain A (alanine) into lysine:
Energy difference: -0.7629 kcal/mol, Difference in average score from the
base case: -0.0056 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 266 from chain A (alanine) into aspartic
acid: Energy difference: 0.9616 kcal/mol, Difference in average score from
the base case: -0.0072 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 266 from chain A (alanine) into arginine:
Energy difference: -0.1593 kcal/mol, Difference in average score from the
base case: -0.0027 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 336 from chain A (alanine) into glutamic
acid: Energy difference: -0.3400 kcal/mol, Difference in average score from
the base case: -0.0192 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 336 from chain A (alanine) into lysine:
Energy difference: -0.3593 kcal/mol, Difference in average score from the
base case: -0.0125 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 336 from chain A (alanine) into aspartic
acid: Energy difference: 0.0715 kcal/mol, Difference in average score from
the base case: -0.0225 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 336 from chain A (alanine) into arginine:
Energy difference: -0.3286 kcal/mol, Difference in average score from the
base case: -0.0161 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 160 from chain A (alanine) into glutamic
acid: Energy difference: 0.9210 kcal/mol, Difference in average score from
the base case: -0.0005 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 160 from chain A (alanine) into lysine:
Energy difference: -0.4042 kcal/mol, Difference in average score from the
base case: 0.0018 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 160 from chain A (alanine) into aspartic
acid: Energy difference: 1.4591 kcal/mol, Difference in average score from
the base case: -0.0003 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 160 from chain A (alanine) into arginine:
Energy difference: 0.8511 kcal/mol, Difference in average score from the
base case: -0.0014 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 182 from chain A (alanine) into glutamic
acid: Energy difference: 1.3002 kcal/mol, Difference in average score from
the base case: -0.0073 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 182 from chain A (alanine) into lysine:
Energy difference: 2.0877 kcal/mol, Difference in average score from the
base case: -0.0074 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 182 from chain A (alanine) into aspartic
acid: Energy difference: 4.3962 kcal/mol, Difference in average score from
the base case: -0.0050 (01:30:09)
[INFO] Auto_mut: Effect of mutation residue number 182 from chain A (alanine) into arginine:
Energy difference: 0.1226 kcal/mol, Difference in average score from the
base case: -0.0075 (01:30:09)
[INFO] Main: Simulation completed successfully. (01:30:39)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| -5 | P | A | -1.3135 | |
| -4 | R | A | -2.3977 | |
| -3 | G | A | -1.5293 | |
| -2 | S | A | -0.7119 | |
| -1 | H | A | -0.4550 | |
| 0 | M | A | 1.0331 | |
| 1 | V | A | 1.1468 | |
| 2 | M | A | 1.0010 | |
| 3 | L | A | 0.1871 | |
| 4 | A | A | -0.3322 | |
| 5 | Q | A | -1.1290 | |
| 6 | Q | A | -1.6476 | |
| 7 | W | A | 0.0000 | |
| 8 | R | A | -1.9860 | |
| 9 | D | A | -2.1044 | |
| 10 | A | A | -1.0242 | |
| 11 | R | A | 0.0000 | |
| 12 | P | A | -0.7298 | |
| 13 | K | A | -1.7801 | |
| 14 | V | A | -0.3243 | |
| 15 | A | A | -0.2231 | |
| 16 | G | A | -0.6973 | |
| 17 | L | A | -0.3205 | |
| 18 | H | A | -0.0273 | |
| 19 | L | A | 0.0000 | |
| 20 | D | A | 0.0000 | |
| 21 | S | A | 0.0000 | |
| 22 | G | A | 0.0000 | |
| 23 | A | A | 0.0857 | |
| 24 | C | A | -0.4117 | |
| 25 | S | A | 0.0000 | |
| 26 | R | A | -0.6241 | |
| 27 | Q | A | -0.3443 | |
| 28 | S | A | 0.0000 | |
| 29 | F | A | 1.0144 | |
| 30 | A | A | 0.3915 | |
| 31 | V | A | 0.0000 | |
| 32 | I | A | 0.3780 | |
| 33 | D | A | -0.9358 | |
| 34 | A | A | -0.4698 | |
| 35 | T | A | -0.6451 | |
| 36 | T | A | -1.1520 | |
| 37 | A | A | -1.4244 | |
| 38 | H | A | 0.0000 | |
| 39 | A | A | -2.0854 | |
| 40 | R | A | -2.7752 | |
| 41 | H | A | -2.3657 | |
| 42 | E | A | -1.6094 | |
| 43 | A | A | -1.7300 | |
| 44 | E | A | -1.9520 | |
| 45 | V | A | 0.4178 | |
| 46 | G | A | 0.0301 | |
| 47 | G | A | -0.3057 | |
| 48 | Y | A | 1.1050 | |
| 49 | V | A | 0.5270 | |
| 50 | A | A | 0.0000 | |
| 51 | A | A | -0.3020 | |
| 52 | E | A | -1.2599 | |
| 53 | A | A | -0.4926 | |
| 54 | A | A | -0.6074 | |
| 55 | T | A | -0.9120 | |
| 56 | P | A | -0.8068 | |
| 57 | A | A | -0.5073 | |
| 58 | L | A | -0.6185 | |
| 59 | D | A | -1.1939 | |
| 60 | A | A | -0.5407 | |
| 61 | G | A | 0.0000 | |
| 62 | R | A | -0.6736 | |
| 63 | A | A | -0.4633 | |
| 64 | A | A | 0.0000 | |
| 65 | V | A | 0.0000 | |
| 66 | A | A | 0.0000 | |
| 67 | S | A | -0.3664 | |
| 68 | L | A | -0.5814 | |
| 69 | I | A | 0.0000 | |
| 70 | G | A | -0.8296 | |
| 71 | F | A | 0.0000 | |
| 72 | A | A | -0.2232 | |
| 73 | A | A | -0.4379 | |
| 74 | S | A | -0.4492 | |
| 75 | D | A | 0.0000 | |
| 76 | V | A | 0.0000 | |
| 77 | V | A | 0.0000 | |
| 78 | Y | A | 0.0000 | |
| 79 | T | A | 0.0000 | |
| 80 | S | A | -1.3045 | |
| 81 | G | A | 0.0000 | |
| 82 | S | A | 0.0000 | |
| 83 | N | A | -1.6708 | |
| 84 | H | A | -1.2119 | |
| 85 | A | A | 0.0000 | |
| 86 | I | A | 0.0000 | |
| 87 | D | A | -0.9567 | |
| 88 | L | A | -0.6370 | |
| 89 | L | A | 0.0000 | |
| 90 | L | A | 0.0000 | |
| 91 | S | A | -0.7172 | |
| 92 | S | A | 0.0000 | |
| 93 | W | A | 0.0000 | |
| 94 | P | A | -1.5327 | |
| 95 | G | A | -1.7885 | |
| 96 | K | A | -2.3942 | |
| 97 | R | A | -1.8413 | |
| 98 | T | A | -1.2514 | |
| 99 | L | A | 0.0000 | |
| 100 | A | A | 0.0000 | |
| 101 | C | A | 0.0000 | |
| 102 | L | A | 0.0000 | |
| 103 | P | A | 0.5603 | |
| 104 | G | A | 0.0000 | |
| 105 | E | A | 0.0000 | |
| 106 | F | A | 0.3773 | |
| 107 | G | A | 0.2644 | |
| 108 | P | A | -0.4029 | |
| 109 | N | A | 0.0000 | |
| 110 | L | A | 0.1317 | |
| 111 | S | A | -0.3851 | |
| 112 | A | A | -0.5337 | |
| 113 | M | A | 0.0000 | |
| 114 | A | A | -0.2959 | |
| 115 | A | A | -0.2320 | |
| 116 | N | A | -0.6229 | |
| 117 | G | A | -1.0361 | |
| 118 | F | A | 0.0000 | |
| 119 | Q | A | -1.4229 | |
| 120 | V | A | -0.2253 | |
| 121 | R | A | -0.4017 | |
| 122 | A | A | 0.3099 | |
| 123 | L | A | 0.0000 | |
| 124 | P | A | -0.6499 | |
| 125 | V | A | -0.6615 | |
| 126 | D | A | -1.5113 | |
| 127 | D | A | -2.3541 | |
| 128 | D | A | -1.7056 | |
| 129 | G | A | 0.0000 | |
| 130 | R | A | -1.0807 | |
| 131 | V | A | 0.0000 | |
| 132 | L | A | -0.8910 | |
| 133 | V | A | -1.7539 | |
| 134 | D | A | -2.8342 | |
| 135 | E | A | -2.5858 | |
| 136 | A | A | 0.0000 | |
| 137 | S | A | -2.5634 | |
| 138 | H | A | -2.4419 | |
| 139 | E | A | -2.1349 | |
| 140 | L | A | 0.0000 | |
| 141 | S | A | -1.3548 | |
| 142 | A | A | -1.0757 | |
| 143 | H | A | -1.5282 | |
| 144 | P | A | -1.0620 | |
| 145 | V | A | 0.0000 | |
| 146 | A | A | -0.8976 | |
| 147 | L | A | 0.0000 | |
| 148 | V | A | 0.0000 | |
| 149 | H | A | 0.0000 | |
| 150 | L | A | 0.0000 | |
| 151 | T | A | 0.0000 | |
| 152 | A | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | A | A | -0.0312 | |
| 155 | S | A | 0.0000 | |
| 156 | H | A | 0.0000 | |
| 157 | R | A | -0.2539 | |
| 158 | G | A | 0.0000 | |
| 159 | I | A | 0.0000 | |
| 160 | A | A | -0.1874 | |
| 161 | Q | A | 0.0000 | |
| 162 | P | A | -0.5626 | |
| 163 | A | A | -1.1884 | |
| 164 | A | A | -1.7200 | |
| 165 | E | A | -2.6130 | |
| 166 | L | A | 0.0000 | |
| 167 | V | A | 0.0000 | |
| 168 | E | A | -3.0315 | |
| 169 | A | A | 0.0000 | |
| 170 | C | A | 0.0000 | |
| 171 | H | A | -2.2593 | |
| 172 | N | A | -2.2324 | |
| 173 | A | A | -1.7106 | |
| 174 | G | A | -1.3539 | |
| 175 | I | A | 0.0000 | |
| 176 | P | A | -0.6792 | |
| 177 | V | A | 0.0000 | |
| 178 | V | A | 0.0000 | |
| 179 | I | A | 0.0000 | |
| 180 | D | A | 0.0000 | |
| 181 | A | A | 0.0000 | |
| 182 | A | A | -0.1999 | |
| 183 | Q | A | 0.0000 | |
| 184 | A | A | 0.0000 | |
| 185 | L | A | 0.0000 | |
| 186 | G | A | 0.0000 | |
| 187 | H | A | 0.0000 | |
| 188 | L | A | -1.1899 | |
| 189 | D | A | -2.1466 | |
| 190 | C | A | 0.0000 | |
| 191 | N | A | -1.8089 | |
| 192 | V | A | -1.4454 | |
| 193 | G | A | -1.1716 | |
| 194 | A | A | 0.0000 | |
| 195 | D | A | -0.6605 | |
| 196 | A | A | 0.0000 | |
| 197 | V | A | 0.0000 | |
| 198 | Y | A | 0.0000 | |
| 199 | S | A | 0.0000 | |
| 200 | S | A | 0.0000 | |
| 201 | S | A | 0.0000 | |
| 202 | R | A | -1.2565 | |
| 203 | K | A | 0.0000 | |
| 204 | W | A | 0.0000 | |
| 205 | L | A | 0.0000 | |
| 206 | A | A | 0.0000 | |
| 207 | G | A | 0.0000 | |
| 208 | P | A | -1.2337 | |
| 209 | R | A | -2.3758 | |
| 210 | G | A | -1.8122 | |
| 211 | V | A | 0.0000 | |
| 212 | G | A | 0.0000 | |
| 213 | V | A | 0.0000 | |
| 214 | L | A | 0.0000 | |
| 215 | A | A | 0.0000 | |
| 216 | V | A | 0.0000 | |
| 217 | R | A | -1.3380 | |
| 218 | P | A | -2.0443 | |
| 219 | E | A | -2.9918 | |
| 220 | L | A | 0.0000 | |
| 221 | A | A | 0.0000 | |
| 222 | E | A | -3.4752 | |
| 223 | R | A | -3.4763 | |
| 224 | L | A | 0.0000 | |
| 225 | Q | A | -2.2225 | |
| 226 | P | A | 0.0000 | |
| 227 | R | A | -1.2849 | |
| 228 | I | A | 1.0024 | |
| 229 | P | A | 0.4042 | |
| 230 | P | A | -0.9492 | |
| 231 | S | A | -1.4865 | |
| 232 | D | A | -1.7862 | |
| 233 | W | A | -0.3215 | |
| 234 | P | A | -0.0315 | |
| 235 | I | A | 0.9533 | |
| 236 | P | A | 0.2058 | |
| 237 | M | A | -0.0530 | |
| 238 | S | A | -0.9055 | |
| 239 | V | A | -1.3533 | |
| 240 | L | A | -0.9191 | |
| 241 | E | A | -1.6040 | |
| 242 | K | A | -0.6206 | |
| 243 | L | A | 0.0000 | |
| 244 | E | A | -0.7740 | |
| 245 | L | A | 0.3940 | |
| 246 | G | A | -1.0840 | |
| 247 | E | A | -2.3549 | |
| 248 | H | A | -2.1973 | |
| 249 | N | A | -2.2543 | |
| 250 | A | A | 0.0000 | |
| 251 | A | A | 0.0000 | |
| 252 | A | A | 0.0000 | |
| 253 | R | A | 0.0000 | |
| 254 | V | A | 0.0000 | |
| 255 | G | A | 0.0000 | |
| 256 | F | A | 0.0000 | |
| 257 | S | A | 0.0000 | |
| 258 | V | A | 0.2886 | |
| 259 | A | A | 0.0000 | |
| 260 | V | A | 0.0000 | |
| 261 | G | A | -0.0184 | |
| 262 | E | A | -0.1682 | |
| 263 | H | A | 0.0000 | |
| 264 | L | A | 0.3244 | |
| 265 | A | A | 0.1118 | |
| 266 | A | A | -0.1058 | |
| 267 | G | A | -0.0767 | |
| 268 | P | A | -0.6011 | |
| 269 | T | A | -0.9698 | |
| 270 | A | A | -0.6488 | |
| 271 | V | A | 0.0000 | |
| 272 | R | A | -1.7680 | |
| 273 | E | A | -2.1476 | |
| 274 | R | A | 0.0000 | |
| 275 | L | A | 0.0000 | |
| 276 | A | A | -1.1694 | |
| 277 | E | A | -1.2157 | |
| 278 | V | A | 0.0000 | |
| 279 | G | A | 0.0000 | |
| 280 | R | A | -0.7750 | |
| 281 | L | A | 0.0000 | |
| 282 | S | A | 0.0000 | |
| 283 | R | A | 0.0000 | |
| 284 | Q | A | -0.8663 | |
| 285 | V | A | -0.9709 | |
| 286 | L | A | 0.0000 | |
| 287 | A | A | -1.0175 | |
| 288 | E | A | -2.2951 | |
| 289 | V | A | -2.1576 | |
| 290 | D | A | -2.9965 | |
| 291 | G | A | -2.4322 | |
| 292 | W | A | 0.0000 | |
| 293 | R | A | -1.9229 | |
| 294 | V | A | -0.4524 | |
| 295 | V | A | -0.0689 | |
| 296 | E | A | 0.0000 | |
| 297 | P | A | 0.0225 | |
| 298 | V | A | 0.4457 | |
| 299 | D | A | -1.3389 | |
| 300 | Q | A | -0.7683 | |
| 301 | P | A | -0.9740 | |
| 302 | T | A | 0.0000 | |
| 303 | A | A | 0.0000 | |
| 304 | I | A | 0.0000 | |
| 305 | T | A | 0.0000 | |
| 306 | T | A | 0.0000 | |
| 307 | L | A | 0.0000 | |
| 308 | E | A | -1.4338 | |
| 309 | S | A | -1.9003 | |
| 310 | T | A | -1.8689 | |
| 311 | D | A | -2.5698 | |
| 312 | G | A | -1.8324 | |
| 313 | A | A | -1.6383 | |
| 314 | D | A | -2.2561 | |
| 315 | P | A | 0.0000 | |
| 316 | A | A | -1.0355 | |
| 317 | S | A | -0.7289 | |
| 318 | V | A | -0.5001 | |
| 319 | R | A | -0.7157 | |
| 320 | S | A | -0.5334 | |
| 321 | W | A | -0.7090 | |
| 322 | L | A | 0.0000 | |
| 323 | I | A | -0.3310 | |
| 324 | A | A | -0.9802 | |
| 325 | E | A | -2.5411 | |
| 326 | R | A | -2.5716 | |
| 327 | G | A | -1.0556 | |
| 328 | I | A | 0.0000 | |
| 329 | V | A | 0.2903 | |
| 330 | T | A | 0.0000 | |
| 331 | T | A | 0.0000 | |
| 332 | A | A | -0.7977 | |
| 333 | C | A | 0.0000 | |
| 334 | E | A | -1.9851 | |
| 335 | L | A | -0.5710 | |
| 336 | A | A | -0.1519 | |
| 337 | R | A | -0.3104 | |
| 338 | A | A | 0.0000 | |
| 339 | P | A | 0.3693 | |
| 340 | F | A | 1.5078 | |
| 341 | E | A | -0.0677 | |
| 342 | M | A | 0.0000 | |
| 343 | R | A | -1.7059 | |
| 344 | T | A | -1.5275 | |
| 345 | P | A | -1.4295 | |
| 346 | V | A | 0.0000 | |
| 347 | L | A | 0.0000 | |
| 348 | R | A | 0.0000 | |
| 349 | I | A | 0.0000 | |
| 350 | S | A | 0.0000 | |
| 351 | P | A | 0.0000 | |
| 352 | H | A | 0.0000 | |
| 353 | V | A | 0.0000 | |
| 354 | D | A | -0.8722 | |
| 355 | V | A | 0.0000 | |
| 356 | T | A | -0.7683 | |
| 357 | V | A | -0.9007 | |
| 358 | D | A | -2.4193 | |
| 359 | E | A | -1.7992 | |
| 360 | L | A | 0.0000 | |
| 361 | E | A | -2.6474 | |
| 362 | Q | A | -2.2727 | |
| 363 | F | A | 0.0000 | |
| 364 | A | A | 0.0000 | |
| 365 | A | A | -1.7880 | |
| 366 | A | A | 0.0000 | |
| 367 | L | A | 0.0000 | |
| 368 | R | A | -3.0821 | |
| 369 | E | A | -2.7658 | |
| 370 | A | A | -2.0274 | |
| 371 | P | A | -0.9423 | |
| 402 | A | A | 0.0128 |
Automated mutations analysis
In the automated mutations mode, the server selects aggregation prone resides
and each selected residue is mutated to glutamic acid, lysine, aspartic acid and arginine.
The table below shows 2 best scored mutants for each mutated residue. Protein variants
are ordered according to the mutation effect they had on protein stability
(energetic effect) together with the difference in the average per-residue aggregation score
between the wild type and the mutant (in the table green values indicate a positive change,
grey are neutral, and orange/red mean destabilizing or more aggregation prone mutants).
Summary for all the mutants can be found in this
CSV file.
Mutant |
Energetic effect |
Score comparison |
|||
| VR49A | -1.0521 | -0.0407 | View | CSV | PDB |
| VK49A | -1.0298 | -0.0371 | View | CSV | PDB |
| MD2A | -0.9425 | -0.0352 | View | CSV | PDB |
| VE298A | -0.7259 | -0.0312 | View | CSV | PDB |
| ME2A | -0.516 | -0.0365 | View | CSV | PDB |
| IR228A | -0.3146 | -0.0446 | View | CSV | PDB |
| GK261A | -1.4485 | -0.018 | View | CSV | PDB |
| GR261A | -1.1761 | -0.0197 | View | CSV | PDB |
| AR122A | -1.1676 | -0.0183 | View | CSV | PDB |
| AR30A | -0.8245 | -0.0219 | View | CSV | PDB |
| YE48A | -0.419 | -0.0312 | View | CSV | PDB |
| FR106A | -3.0412 | -0.008 | View | CSV | PDB |
| MD0A | -0.4614 | -0.0291 | View | CSV | PDB |
| IK228A | -0.1812 | -0.0404 | View | CSV | PDB |
| YD48A | -0.306 | -0.0321 | View | CSV | PDB |
| AK30A | -0.6991 | -0.0207 | View | CSV | PDB |
| ME0A | -0.2895 | -0.0297 | View | CSV | PDB |
| AK122A | -0.6843 | -0.0186 | View | CSV | PDB |
| VK298A | -0.1879 | -0.0305 | View | CSV | PDB |
| VD1A | -0.311 | -0.0229 | View | CSV | PDB |
| VK45A | -0.0272 | -0.0324 | View | CSV | PDB |
| VR258A | -0.4546 | -0.0174 | View | CSV | PDB |
| AE336A | -0.34 | -0.0192 | View | CSV | PDB |
| AR154A | -2.0562 | -0.0063 | View | CSV | PDB |
| GD267A | -0.5386 | -0.0149 | View | CSV | PDB |
| AR265A | -0.4033 | -0.0171 | View | CSV | PDB |
| AR336A | -0.3286 | -0.0161 | View | CSV | PDB |
| AK265A | -0.2407 | -0.0179 | View | CSV | PDB |
| VK258A | -0.2977 | -0.0156 | View | CSV | PDB |
| VK329A | -0.1422 | -0.0192 | View | CSV | PDB |
| AD402A | -0.453 | -0.0122 | View | CSV | PDB |
| VR329A | -0.0904 | -0.016 | View | CSV | PDB |
| VR1A | -0.025 | -0.0179 | View | CSV | PDB |
| AR23A | -0.3629 | -0.0098 | View | CSV | PDB |
| AK266A | -0.7629 | -0.0056 | View | CSV | PDB |
| AE402A | -0.0895 | -0.0103 | View | CSV | PDB |
| AK23A | -0.0678 | -0.0104 | View | CSV | PDB |
| AK154A | -0.9971 | -0.0032 | View | CSV | PDB |
| AR266A | -0.1593 | -0.0027 | View | CSV | PDB |
| VR45A | 0.0833 | -0.0384 | View | CSV | PDB |
| PR236A | 0.0488 | -0.0149 | View | CSV | PDB |
| PD236A | 0.0495 | -0.0145 | View | CSV | PDB |
| IE235A | 0.1812 | -0.0286 | View | CSV | PDB |
| HR18A | 0.0548 | -0.0083 | View | CSV | PDB |
| LR245A | 0.2663 | -0.0367 | View | CSV | PDB |
| FR29A | 0.2223 | -0.0274 | View | CSV | PDB |
| LD245A | 0.3429 | -0.0358 | View | CSV | PDB |
| FR340A | 0.4602 | -0.0418 | View | CSV | PDB |
| IR235A | 0.4185 | -0.0353 | View | CSV | PDB |
| IK32A | 0.281 | -0.0231 | View | CSV | PDB |
| FK340A | 0.5497 | -0.0365 | View | CSV | PDB |
| IR32A | 0.4385 | -0.0286 | View | CSV | PDB |
| AR182A | 0.1226 | -0.0075 | View | CSV | PDB |
| FK29A | 0.5341 | -0.0297 | View | CSV | PDB |
| PK234A | 0.4759 | -0.0201 | View | CSV | PDB |
| PR234A | 0.5541 | -0.022 | View | CSV | PDB |
| LK264A | 0.6323 | -0.0183 | View | CSV | PDB |
| PE297A | 1.2684 | -0.0262 | View | CSV | PDB |
| LR264A | 1.0925 | -0.0203 | View | CSV | PDB |
| FK106A | 0.5258 | -0.0092 | View | CSV | PDB |
| GR267A | 1.4941 | -0.0244 | View | CSV | PDB |
| HK18A | 0.5084 | -0.0082 | View | CSV | PDB |
| PD297A | 1.509 | -0.0233 | View | CSV | PDB |
| GR46A | 2.2538 | -0.0341 | View | CSV | PDB |
| MR237A | 0.5082 | -0.0076 | View | CSV | PDB |
| PR103A | 0.9865 | -0.0136 | View | CSV | PDB |
| PE339A | 2.2074 | -0.0254 | View | CSV | PDB |
| LR3A | 1.2216 | -0.0132 | View | CSV | PDB |
| PR339A | 2.0151 | -0.0211 | View | CSV | PDB |
| GK46A | 2.8028 | -0.0265 | View | CSV | PDB |
| LK110A | 1.6748 | -0.0145 | View | CSV | PDB |
| LK3A | 1.469 | -0.0119 | View | CSV | PDB |
| LR110A | 1.9291 | -0.0148 | View | CSV | PDB |
| GR107A | 2.4068 | -0.0156 | View | CSV | PDB |
| PK103A | 1.9467 | -0.012 | View | CSV | PDB |
| VD295A | 1.2389 | -0.0075 | View | CSV | PDB |
| AE182A | 1.3002 | -0.0073 | View | CSV | PDB |
| ME237A | 3.5215 | -0.0186 | View | CSV | PDB |
| PR229A | 3.1095 | -0.0161 | View | CSV | PDB |
| GK107A | 2.5495 | -0.0128 | View | CSV | PDB |
| VK295A | 1.1471 | -0.0053 | View | CSV | PDB |
| PK229A | 3.1203 | -0.0082 | View | CSV | PDB |
| AR160A | 0.8511 | -0.0014 | View | CSV | PDB |
| AE160A | 0.921 | -0.0005 | View | CSV | PDB |
ALA alanine
ARG arginine
ASN asparagine
ASP aspartic acid
CYS cysteine
GLN glutamine
GLU glutamic acid
GLY glycine
HIS histidine
ILE isoleucine
LEU leucine
LYS lysine
MET methionine
PHE phenylalanine
PRO proline
SER serine
THR threonine
TRP tryptophan
TYR tyrosine
VAL valine