| Chain sequence(s) |
B: YEHVTVIPNTVGVPYKTLVNRPGYSPMVLEMELLSVTLEPTLSLDYITCEYKTVVPSPYVKCCGTAECKDKNLPDYSCKVFTGVYPFMWGGAYCFCDAENTQLSEAHVEKSESCKTEFASAYRAHTASASAKLRVLYQGNNITVTAYANGDHAVTVKDAKFIVGPMSSAWTPFDNKIVVYKGDVYNMDYPPFGAGRPGQFGDIQSRTPESEDVYANTQLVLQRPAAGTVHVPYSQAPSGFKYWLKERGASLQHTAPFGCQIATNPVRAVNCAVGNMPISIDIPEAAFTRVVDAPSLTDMSCEVPACTHSSDFGGVAIIKYAASKKGKCAVHSMTNAVTIREAEIEVEGNSQLQISFSTALASAEFRVQVCSTQVHCAAECHPPKDHIVNYPASHTTLGVQDISATAMSWVQKITGGVGLVVAVAALILIVVLCVSFSRH
input PDB |
| Selected Chain(s) | B |
| 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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with B chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:03:36)
[INFO] Auto_mut: Residue number 430 from chain B and a score of 5.640 (valine) selected for
automated muatation (00:03:39)
[INFO] Auto_mut: Residue number 427 from chain B and a score of 5.452 (isoleucine) selected
for automated muatation (00:03:39)
[INFO] Auto_mut: Residue number 429 from chain B and a score of 5.276 (isoleucine) selected
for automated muatation (00:03:39)
[INFO] Auto_mut: Residue number 428 from chain B and a score of 5.186 (leucine) selected for
automated muatation (00:03:39)
[INFO] Auto_mut: Residue number 431 from chain B and a score of 5.174 (valine) selected for
automated muatation (00:03:39)
[INFO] Auto_mut: Residue number 426 from chain B and a score of 5.051 (leucine) selected for
automated muatation (00:03:39)
[INFO] Auto_mut: Residue number 432 from chain B and a score of 4.404 (leucine) selected for
automated muatation (00:03:39)
[INFO] Auto_mut: Residue number 423 from chain B and a score of 4.333 (valine) selected for
automated muatation (00:03:39)
[INFO] Auto_mut: Residue number 420 from chain B and a score of 4.320 (valine) selected for
automated muatation (00:03:39)
[INFO] Auto_mut: Residue number 421 from chain B and a score of 4.223 (valine) selected for
automated muatation (00:03:39)
[INFO] Auto_mut: Residue number 433 from chain B and a score of 4.024 (cysteine) selected
for automated muatation (00:03:39)
[INFO] Auto_mut: Residue number 425 from chain B and a score of 3.856 (alanine) selected for
automated muatation (00:03:39)
[INFO] Auto_mut: Residue number 424 from chain B and a score of 3.681 (alanine) selected for
automated muatation (00:03:39)
[INFO] Auto_mut: Residue number 419 from chain B and a score of 3.614 (leucine) selected for
automated muatation (00:03:39)
[INFO] Auto_mut: Residue number 422 from chain B and a score of 3.572 (alanine) selected for
automated muatation (00:03:39)
[INFO] Auto_mut: Residue number 434 from chain B and a score of 3.513 (valine) selected for
automated muatation (00:03:39)
[INFO] Auto_mut: Residue number 417 from chain B and a score of 2.998 (valine) selected for
automated muatation (00:03:39)
[INFO] Auto_mut: Residue number 418 from chain B and a score of 2.388 (glycine) selected for
automated muatation (00:03:39)
[INFO] Auto_mut: Residue number 436 from chain B and a score of 2.333 (phenylalanine)
selected for automated muatation (00:03:39)
[INFO] Auto_mut: Residue number 87 from chain B and a score of 2.212 (phenylalanine)
selected for automated muatation (00:03:39)
[INFO] Auto_mut: Mutating residue number 430 from chain B (valine) into glutamic acid (00:03:39)
[INFO] Auto_mut: Mutating residue number 427 from chain B (isoleucine) into arginine (00:03:39)
[INFO] Auto_mut: Mutating residue number 428 from chain B (leucine) into aspartic acid (00:03:39)
[INFO] Auto_mut: Mutating residue number 430 from chain B (valine) into lysine (00:05:50)
[INFO] Auto_mut: Mutating residue number 429 from chain B (isoleucine) into glutamic acid (00:05:53)
[INFO] Auto_mut: Mutating residue number 428 from chain B (leucine) into arginine (00:06:02)
[INFO] Auto_mut: Mutating residue number 429 from chain B (isoleucine) into lysine (00:08:11)
[INFO] Auto_mut: Mutating residue number 430 from chain B (valine) into aspartic acid (00:08:16)
[INFO] Auto_mut: Mutating residue number 431 from chain B (valine) into glutamic acid (00:08:21)
[INFO] Auto_mut: Mutating residue number 430 from chain B (valine) into arginine (00:10:28)
[INFO] Auto_mut: Mutating residue number 431 from chain B (valine) into lysine (00:10:37)
[INFO] Auto_mut: Mutating residue number 429 from chain B (isoleucine) into aspartic acid (00:10:38)
[INFO] Auto_mut: Mutating residue number 427 from chain B (isoleucine) into glutamic acid (00:12:46)
[INFO] Auto_mut: Mutating residue number 429 from chain B (isoleucine) into arginine (00:12:52)
[INFO] Auto_mut: Mutating residue number 431 from chain B (valine) into aspartic acid (00:13:11)
[INFO] Auto_mut: Mutating residue number 427 from chain B (isoleucine) into lysine (00:15:13)
[INFO] Auto_mut: Mutating residue number 428 from chain B (leucine) into glutamic acid (00:15:26)
[INFO] Auto_mut: Mutating residue number 431 from chain B (valine) into arginine (00:15:37)
[INFO] Auto_mut: Mutating residue number 427 from chain B (isoleucine) into aspartic acid (00:18:02)
[INFO] Auto_mut: Mutating residue number 428 from chain B (leucine) into lysine (00:18:04)
[INFO] Auto_mut: Mutating residue number 426 from chain B (leucine) into glutamic acid (00:18:21)
[INFO] Auto_mut: Mutating residue number 426 from chain B (leucine) into lysine (00:20:37)
[INFO] Auto_mut: Mutating residue number 423 from chain B (valine) into glutamic acid (00:20:47)
[INFO] Auto_mut: Mutating residue number 420 from chain B (valine) into arginine (00:21:02)
[INFO] Auto_mut: Mutating residue number 423 from chain B (valine) into lysine (00:23:24)
[INFO] Auto_mut: Mutating residue number 426 from chain B (leucine) into aspartic acid (00:23:31)
[INFO] Auto_mut: Mutating residue number 421 from chain B (valine) into glutamic acid (00:23:44)
[INFO] Auto_mut: Mutating residue number 426 from chain B (leucine) into arginine (00:26:10)
[INFO] Auto_mut: Mutating residue number 421 from chain B (valine) into lysine (00:26:15)
[INFO] Auto_mut: Mutating residue number 423 from chain B (valine) into aspartic acid (00:26:20)
[INFO] Auto_mut: Mutating residue number 423 from chain B (valine) into arginine (00:28:55)
[INFO] Auto_mut: Mutating residue number 432 from chain B (leucine) into glutamic acid (00:28:56)
[INFO] Auto_mut: Mutating residue number 421 from chain B (valine) into aspartic acid (00:29:04)
[INFO] Auto_mut: Mutating residue number 432 from chain B (leucine) into lysine (00:31:33)
[INFO] Auto_mut: Mutating residue number 421 from chain B (valine) into arginine (00:31:38)
[INFO] Auto_mut: Mutating residue number 420 from chain B (valine) into glutamic acid (00:31:47)
[INFO] Auto_mut: Mutating residue number 432 from chain B (leucine) into aspartic acid (00:34:14)
[INFO] Auto_mut: Mutating residue number 433 from chain B (cysteine) into glutamic acid (00:34:18)
[INFO] Auto_mut: Mutating residue number 420 from chain B (valine) into lysine (00:34:23)
[INFO] Auto_mut: Mutating residue number 432 from chain B (leucine) into arginine (00:36:42)
[INFO] Auto_mut: Mutating residue number 433 from chain B (cysteine) into lysine (00:36:43)
[INFO] Auto_mut: Mutating residue number 420 from chain B (valine) into aspartic acid (00:37:06)
[INFO] Auto_mut: Mutating residue number 433 from chain B (cysteine) into aspartic acid (00:39:07)
[INFO] Auto_mut: Mutating residue number 424 from chain B (alanine) into lysine (00:39:17)
[INFO] Auto_mut: Mutating residue number 422 from chain B (alanine) into glutamic acid (00:39:26)
[INFO] Auto_mut: Mutating residue number 433 from chain B (cysteine) into arginine (00:41:30)
[INFO] Auto_mut: Mutating residue number 422 from chain B (alanine) into lysine (00:41:51)
[INFO] Auto_mut: Mutating residue number 424 from chain B (alanine) into aspartic acid (00:41:55)
[INFO] Auto_mut: Mutating residue number 425 from chain B (alanine) into glutamic acid (00:43:59)
[INFO] Auto_mut: Mutating residue number 424 from chain B (alanine) into arginine (00:44:20)
[INFO] Auto_mut: Mutating residue number 422 from chain B (alanine) into aspartic acid (00:44:24)
[INFO] Auto_mut: Mutating residue number 425 from chain B (alanine) into lysine (00:46:25)
[INFO] Auto_mut: Mutating residue number 422 from chain B (alanine) into arginine (00:46:47)
[INFO] Auto_mut: Mutating residue number 419 from chain B (leucine) into glutamic acid (00:46:54)
[INFO] Auto_mut: Mutating residue number 425 from chain B (alanine) into aspartic acid (00:49:05)
[INFO] Auto_mut: Mutating residue number 434 from chain B (valine) into glutamic acid (00:49:14)
[INFO] Auto_mut: Mutating residue number 419 from chain B (leucine) into lysine (00:49:24)
[INFO] Auto_mut: Mutating residue number 425 from chain B (alanine) into arginine (00:51:27)
[INFO] Auto_mut: Mutating residue number 434 from chain B (valine) into lysine (00:51:40)
[INFO] Auto_mut: Mutating residue number 419 from chain B (leucine) into aspartic acid (00:52:01)
[INFO] Auto_mut: Mutating residue number 424 from chain B (alanine) into glutamic acid (00:54:02)
[INFO] Auto_mut: Mutating residue number 434 from chain B (valine) into aspartic acid (00:54:15)
[INFO] Auto_mut: Mutating residue number 419 from chain B (leucine) into arginine (00:54:27)
[INFO] Auto_mut: Mutating residue number 434 from chain B (valine) into arginine (00:56:27)
[INFO] Auto_mut: Mutating residue number 418 from chain B (glycine) into aspartic acid (00:56:38)
[INFO] Auto_mut: Mutating residue number 87 from chain B (phenylalanine) into lysine (00:57:01)
[INFO] Auto_mut: Mutating residue number 417 from chain B (valine) into glutamic acid (00:58:59)
[INFO] Auto_mut: Mutating residue number 418 from chain B (glycine) into arginine (00:59:00)
[INFO] Auto_mut: Mutating residue number 87 from chain B (phenylalanine) into aspartic acid
Mutating residue number 87 from chain B (phenylalanine) into aspartic acid (00:59:33)
[INFO] Auto_mut: Mutating residue number 417 from chain B (valine) into lysine (01:01:26)
[INFO] Auto_mut: Mutating residue number 436 from chain B (phenylalanine) into glutamic acid
Mutating residue number 436 from chain B (phenylalanine) into glutamic acid (01:01:30)
[INFO] Auto_mut: Mutating residue number 87 from chain B (phenylalanine) into arginine (01:01:58)
[INFO] Auto_mut: Mutating residue number 436 from chain B (phenylalanine) into lysine (01:03:55)
[INFO] Auto_mut: Mutating residue number 417 from chain B (valine) into aspartic acid (01:03:58)
[INFO] Auto_mut: Mutating residue number 417 from chain B (valine) into arginine (01:06:16)
[INFO] Auto_mut: Mutating residue number 436 from chain B (phenylalanine) into aspartic acid
Mutating residue number 436 from chain B (phenylalanine) into aspartic acid (01:06:19)
[INFO] Auto_mut: Mutating residue number 436 from chain B (phenylalanine) into arginine (01:08:38)
[INFO] Auto_mut: Mutating residue number 418 from chain B (glycine) into glutamic acid (01:08:38)
[INFO] Auto_mut: Mutating residue number 87 from chain B (phenylalanine) into glutamic acid
Mutating residue number 87 from chain B (phenylalanine) into glutamic acid (01:10:55)
[INFO] Auto_mut: Mutating residue number 418 from chain B (glycine) into lysine (01:11:06)
[INFO] Auto_mut: Effect of mutation residue number 430 from chain B (valine) into glutamic
acid: Energy difference: 0.4543 kcal/mol, Difference in average score from
the base case: -0.0178 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 430 from chain B (valine) into lysine:
Energy difference: 0.1984 kcal/mol, Difference in average score from the
base case: -0.0152 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 430 from chain B (valine) into aspartic
acid: Energy difference: 1.0972 kcal/mol, Difference in average score from
the base case: -0.0127 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 430 from chain B (valine) into arginine:
Energy difference: 0.3353 kcal/mol, Difference in average score from the
base case: -0.0168 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 427 from chain B (isoleucine) into
glutamic acid: Energy difference: 0.4704 kcal/mol, Difference in average
score from the base case: -0.0241 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 427 from chain B (isoleucine) into
lysine: Energy difference: 0.1827 kcal/mol, Difference in average score
from the base case: -0.0252 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 427 from chain B (isoleucine) into
aspartic acid: Energy difference: 0.8949 kcal/mol, Difference in average
score from the base case: -0.0125 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 427 from chain B (isoleucine) into
arginine: Energy difference: 0.3332 kcal/mol, Difference in average score
from the base case: -0.0296 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 429 from chain B (isoleucine) into
glutamic acid: Energy difference: 1.2296 kcal/mol, Difference in average
score from the base case: -0.0247 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 429 from chain B (isoleucine) into
lysine: Energy difference: 0.6473 kcal/mol, Difference in average score
from the base case: -0.0231 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 429 from chain B (isoleucine) into
aspartic acid: Energy difference: 1.9825 kcal/mol, Difference in average
score from the base case: -0.0223 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 429 from chain B (isoleucine) into
arginine: Energy difference: 0.9825 kcal/mol, Difference in average score
from the base case: -0.0278 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 428 from chain B (leucine) into glutamic
acid: Energy difference: 0.5460 kcal/mol, Difference in average score from
the base case: -0.0211 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 428 from chain B (leucine) into lysine:
Energy difference: 0.2010 kcal/mol, Difference in average score from the
base case: -0.0242 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 428 from chain B (leucine) into aspartic
acid: Energy difference: 1.1228 kcal/mol, Difference in average score from
the base case: -0.0191 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 428 from chain B (leucine) into arginine:
Energy difference: 0.0465 kcal/mol, Difference in average score from the
base case: -0.0190 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 431 from chain B (valine) into glutamic
acid: Energy difference: 0.3624 kcal/mol, Difference in average score from
the base case: -0.0241 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 431 from chain B (valine) into lysine:
Energy difference: -0.1440 kcal/mol, Difference in average score from the
base case: -0.0250 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 431 from chain B (valine) into aspartic
acid: Energy difference: 0.8968 kcal/mol, Difference in average score from
the base case: -0.0220 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 431 from chain B (valine) into arginine:
Energy difference: 0.1849 kcal/mol, Difference in average score from the
base case: -0.0309 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 426 from chain B (leucine) into glutamic
acid: Energy difference: 0.5849 kcal/mol, Difference in average score from
the base case: -0.0219 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 426 from chain B (leucine) into lysine:
Energy difference: 0.2582 kcal/mol, Difference in average score from the
base case: -0.0258 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 426 from chain B (leucine) into aspartic
acid: Energy difference: 1.3123 kcal/mol, Difference in average score from
the base case: -0.0201 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 426 from chain B (leucine) into arginine:
Energy difference: 0.2545 kcal/mol, Difference in average score from the
base case: -0.0186 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 432 from chain B (leucine) into glutamic
acid: Energy difference: 1.1889 kcal/mol, Difference in average score from
the base case: -0.0090 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 432 from chain B (leucine) into lysine:
Energy difference: 0.6643 kcal/mol, Difference in average score from the
base case: -0.0113 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 432 from chain B (leucine) into aspartic
acid: Energy difference: 2.0088 kcal/mol, Difference in average score from
the base case: -0.0052 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 432 from chain B (leucine) into arginine:
Energy difference: 0.8506 kcal/mol, Difference in average score from the
base case: -0.0210 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 423 from chain B (valine) into glutamic
acid: Energy difference: -0.0973 kcal/mol, Difference in average score from
the base case: -0.0251 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 423 from chain B (valine) into lysine:
Energy difference: -0.6584 kcal/mol, Difference in average score from the
base case: -0.0212 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 423 from chain B (valine) into aspartic
acid: Energy difference: 0.4657 kcal/mol, Difference in average score from
the base case: -0.0270 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 423 from chain B (valine) into arginine:
Energy difference: -0.1646 kcal/mol, Difference in average score from the
base case: -0.0259 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 420 from chain B (valine) into glutamic
acid: Energy difference: -0.2934 kcal/mol, Difference in average score from
the base case: -0.0299 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 420 from chain B (valine) into lysine:
Energy difference: -0.5419 kcal/mol, Difference in average score from the
base case: -0.0273 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 420 from chain B (valine) into aspartic
acid: Energy difference: 0.0282 kcal/mol, Difference in average score from
the base case: -0.0318 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 420 from chain B (valine) into arginine:
Energy difference: -0.7570 kcal/mol, Difference in average score from the
base case: -0.0281 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 421 from chain B (valine) into glutamic
acid: Energy difference: -0.2715 kcal/mol, Difference in average score from
the base case: -0.0302 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 421 from chain B (valine) into lysine:
Energy difference: -0.3649 kcal/mol, Difference in average score from the
base case: -0.0288 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 421 from chain B (valine) into aspartic
acid: Energy difference: 0.0046 kcal/mol, Difference in average score from
the base case: -0.0297 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 421 from chain B (valine) into arginine:
Energy difference: -0.2975 kcal/mol, Difference in average score from the
base case: -0.0310 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 433 from chain B (cysteine) into glutamic
acid: Energy difference: -0.6180 kcal/mol, Difference in average score from
the base case: -0.0186 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 433 from chain B (cysteine) into lysine:
Energy difference: -1.0668 kcal/mol, Difference in average score from the
base case: -0.0207 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 433 from chain B (cysteine) into aspartic
acid: Energy difference: -0.2308 kcal/mol, Difference in average score from
the base case: -0.0183 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 433 from chain B (cysteine) into
arginine: Energy difference: -1.3464 kcal/mol, Difference in average score
from the base case: -0.0241 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 425 from chain B (alanine) into glutamic
acid: Energy difference: -0.0769 kcal/mol, Difference in average score from
the base case: -0.0150 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 425 from chain B (alanine) into lysine:
Energy difference: -0.5957 kcal/mol, Difference in average score from the
base case: -0.0184 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 425 from chain B (alanine) into aspartic
acid: Energy difference: 0.4694 kcal/mol, Difference in average score from
the base case: -0.0162 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 425 from chain B (alanine) into arginine:
Energy difference: -0.1998 kcal/mol, Difference in average score from the
base case: -0.0185 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 424 from chain B (alanine) into glutamic
acid: Energy difference: -0.0544 kcal/mol, Difference in average score from
the base case: -0.0160 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 424 from chain B (alanine) into lysine:
Energy difference: -0.4223 kcal/mol, Difference in average score from the
base case: -0.0178 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 424 from chain B (alanine) into aspartic
acid: Energy difference: 0.3816 kcal/mol, Difference in average score from
the base case: -0.0140 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 424 from chain B (alanine) into arginine:
Energy difference: -0.1926 kcal/mol, Difference in average score from the
base case: -0.0231 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 419 from chain B (leucine) into glutamic
acid: Energy difference: 0.1981 kcal/mol, Difference in average score from
the base case: -0.0293 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 419 from chain B (leucine) into lysine:
Energy difference: -0.0304 kcal/mol, Difference in average score from the
base case: -0.0300 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 419 from chain B (leucine) into aspartic
acid: Energy difference: 0.5736 kcal/mol, Difference in average score from
the base case: -0.0262 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 419 from chain B (leucine) into arginine:
Energy difference: -0.0695 kcal/mol, Difference in average score from the
base case: -0.0227 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 422 from chain B (alanine) into glutamic
acid: Energy difference: -0.0597 kcal/mol, Difference in average score from
the base case: -0.0062 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 422 from chain B (alanine) into lysine:
Energy difference: -0.4853 kcal/mol, Difference in average score from the
base case: -0.0057 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 422 from chain B (alanine) into aspartic
acid: Energy difference: 0.2952 kcal/mol, Difference in average score from
the base case: -0.0104 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 422 from chain B (alanine) into arginine:
Energy difference: -0.4098 kcal/mol, Difference in average score from the
base case: -0.0116 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 434 from chain B (valine) into glutamic
acid: Energy difference: -0.3605 kcal/mol, Difference in average score from
the base case: -0.0316 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 434 from chain B (valine) into lysine:
Energy difference: -0.6891 kcal/mol, Difference in average score from the
base case: -0.0308 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 434 from chain B (valine) into aspartic
acid: Energy difference: 0.1511 kcal/mol, Difference in average score from
the base case: -0.0285 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 434 from chain B (valine) into arginine:
Energy difference: -1.0197 kcal/mol, Difference in average score from the
base case: -0.0325 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 417 from chain B (valine) into glutamic
acid: Energy difference: -0.3932 kcal/mol, Difference in average score from
the base case: -0.0267 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 417 from chain B (valine) into lysine:
Energy difference: -0.6065 kcal/mol, Difference in average score from the
base case: -0.0290 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 417 from chain B (valine) into aspartic
acid: Energy difference: -0.0938 kcal/mol, Difference in average score from
the base case: -0.0269 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 417 from chain B (valine) into arginine:
Energy difference: -0.8588 kcal/mol, Difference in average score from the
base case: -0.0369 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 418 from chain B (glycine) into glutamic
acid: Energy difference: -1.1701 kcal/mol, Difference in average score from
the base case: -0.0080 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 418 from chain B (glycine) into lysine:
Energy difference: -0.9612 kcal/mol, Difference in average score from the
base case: -0.0070 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 418 from chain B (glycine) into aspartic
acid: Energy difference: -0.3338 kcal/mol, Difference in average score from
the base case: -0.0082 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 418 from chain B (glycine) into arginine:
Energy difference: -0.7212 kcal/mol, Difference in average score from the
base case: -0.0084 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 436 from chain B (phenylalanine) into
glutamic acid: Energy difference: 0.3949 kcal/mol, Difference in average
score from the base case: -0.0243 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 436 from chain B (phenylalanine) into
lysine: Energy difference: -0.0443 kcal/mol, Difference in average score
from the base case: -0.0253 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 436 from chain B (phenylalanine) into
aspartic acid: Energy difference: 0.9409 kcal/mol, Difference in average
score from the base case: -0.0218 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 436 from chain B (phenylalanine) into
arginine: Energy difference: 0.0711 kcal/mol, Difference in average score
from the base case: -0.0286 (01:13:39)
[INFO] Auto_mut: Effect of mutation residue number 87 from chain B (phenylalanine) into
glutamic acid: Energy difference: 1.2090 kcal/mol, Difference in average
score from the base case: -0.0284 (01:13:40)
[INFO] Auto_mut: Effect of mutation residue number 87 from chain B (phenylalanine) into
lysine: Energy difference: 0.6777 kcal/mol, Difference in average score
from the base case: -0.0202 (01:13:40)
[INFO] Auto_mut: Effect of mutation residue number 87 from chain B (phenylalanine) into
aspartic acid: Energy difference: 2.2443 kcal/mol, Difference in average
score from the base case: -0.0181 (01:13:40)
[INFO] Auto_mut: Effect of mutation residue number 87 from chain B (phenylalanine) into
arginine: Energy difference: 1.0457 kcal/mol, Difference in average score
from the base case: -0.0234 (01:13:40)
[INFO] Main: Simulation completed successfully. (01:14:05)
|
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 | |
| 1 | Y | B | -1.4137 | |
| 2 | E | B | -2.2363 | |
| 3 | H | B | -0.5781 | |
| 4 | V | B | 1.5811 | |
| 5 | T | B | 1.6934 | |
| 6 | V | B | 1.9586 | |
| 7 | I | B | 0.0000 | |
| 8 | P | B | -0.0195 | |
| 9 | N | B | 0.0000 | |
| 10 | T | B | -0.0620 | |
| 11 | V | B | -0.0568 | |
| 12 | G | B | -0.3713 | |
| 13 | V | B | 0.0000 | |
| 14 | P | B | -0.5714 | |
| 15 | Y | B | -0.2584 | |
| 16 | K | B | -0.4513 | |
| 17 | T | B | 0.0000 | |
| 18 | L | B | -0.0984 | |
| 19 | V | B | 0.0000 | |
| 20 | N | B | -1.6744 | |
| 21 | R | B | -1.7712 | |
| 22 | P | B | -1.1713 | |
| 23 | G | B | -0.6629 | |
| 24 | Y | B | -0.8114 | |
| 25 | S | B | -0.4393 | |
| 26 | P | B | -0.6779 | |
| 27 | M | B | -0.5194 | |
| 28 | V | B | -0.4427 | |
| 29 | L | B | 0.0000 | |
| 30 | E | B | 0.0000 | |
| 31 | M | B | 0.0000 | |
| 32 | E | B | -0.6495 | |
| 33 | L | B | 0.0000 | |
| 34 | L | B | -0.2626 | |
| 35 | S | B | -0.3249 | |
| 36 | V | B | 0.0000 | |
| 37 | T | B | -0.6138 | |
| 38 | L | B | 0.0000 | |
| 39 | E | B | -1.4475 | |
| 40 | P | B | 0.0000 | |
| 41 | T | B | -0.7455 | |
| 42 | L | B | -0.5431 | |
| 43 | S | B | -0.4308 | |
| 44 | L | B | -0.0605 | |
| 45 | D | B | -0.4844 | |
| 46 | Y | B | 0.0000 | |
| 47 | I | B | 0.0000 | |
| 48 | T | B | 0.0000 | |
| 49 | C | B | 0.0000 | |
| 50 | E | B | -1.5467 | |
| 51 | Y | B | -1.4593 | |
| 52 | K | B | -1.7339 | |
| 53 | T | B | -0.4409 | |
| 54 | V | B | 0.1138 | |
| 55 | V | B | 0.5124 | |
| 56 | P | B | 0.2052 | |
| 57 | S | B | 0.0986 | |
| 58 | P | B | 0.3133 | |
| 59 | Y | B | 0.8526 | |
| 60 | V | B | 0.0000 | |
| 61 | K | B | -0.4764 | |
| 62 | C | B | 0.4968 | |
| 63 | C | B | 0.2234 | |
| 64 | G | B | -0.5895 | |
| 65 | T | B | -0.8765 | |
| 66 | A | B | 0.0000 | |
| 67 | E | B | -2.3340 | |
| 68 | C | B | -1.7825 | |
| 69 | K | B | -3.1957 | |
| 70 | D | B | -3.5602 | |
| 71 | K | B | -3.1724 | |
| 72 | N | B | -2.1384 | |
| 73 | L | B | -1.0881 | |
| 74 | P | B | -0.8358 | |
| 75 | D | B | -0.6358 | |
| 76 | Y | B | -0.5318 | |
| 77 | S | B | -0.6436 | |
| 78 | C | B | -1.2252 | |
| 79 | K | B | -1.7236 | |
| 80 | V | B | -1.1094 | |
| 81 | F | B | 0.0000 | |
| 82 | T | B | -1.0358 | |
| 83 | G | B | -1.2114 | |
| 84 | V | B | 0.0000 | |
| 85 | Y | B | 0.3845 | |
| 86 | P | B | 0.0000 | |
| 87 | F | B | 2.2115 | |
| 88 | M | B | 1.7561 | |
| 89 | W | B | 1.5219 | |
| 90 | G | B | 0.5007 | |
| 91 | G | B | 0.7351 | |
| 92 | A | B | 1.4802 | |
| 93 | Y | B | 2.0935 | |
| 94 | C | B | 0.0000 | |
| 95 | F | B | 1.9099 | |
| 96 | C | B | 0.1993 | |
| 97 | D | B | -1.3949 | |
| 98 | A | B | -1.3309 | |
| 99 | E | B | -1.8949 | |
| 100 | N | B | 0.0000 | |
| 101 | T | B | 0.0000 | |
| 102 | Q | B | 0.0000 | |
| 103 | L | B | 0.0000 | |
| 104 | S | B | 0.0000 | |
| 105 | E | B | -0.3579 | |
| 106 | A | B | 0.0000 | |
| 107 | H | B | 0.0000 | |
| 108 | V | B | 0.0000 | |
| 109 | E | B | -1.8776 | |
| 110 | K | B | -2.0844 | |
| 111 | S | B | -2.0643 | |
| 112 | E | B | -2.7472 | |
| 113 | S | B | -1.9247 | |
| 114 | C | B | 0.0000 | |
| 115 | K | B | -2.6909 | |
| 116 | T | B | -1.6037 | |
| 117 | E | B | -1.5327 | |
| 118 | F | B | -0.6476 | |
| 119 | A | B | 0.0000 | |
| 120 | S | B | 0.0000 | |
| 121 | A | B | 0.0000 | |
| 122 | Y | B | -0.6435 | |
| 123 | R | B | -2.0040 | |
| 124 | A | B | 0.0000 | |
| 125 | H | B | -1.7919 | |
| 126 | T | B | -1.1141 | |
| 127 | A | B | -0.7243 | |
| 128 | S | B | -0.6455 | |
| 129 | A | B | -0.4059 | |
| 130 | S | B | -0.0899 | |
| 131 | A | B | 0.0000 | |
| 132 | K | B | -0.7381 | |
| 133 | L | B | 0.0000 | |
| 134 | R | B | -1.1645 | |
| 135 | V | B | 0.0000 | |
| 136 | L | B | -1.1565 | |
| 137 | Y | B | 0.0000 | |
| 138 | Q | B | -2.1921 | |
| 139 | G | B | -2.1637 | |
| 140 | N | B | -2.1446 | |
| 141 | N | B | -2.0704 | |
| 142 | I | B | 0.0000 | |
| 143 | T | B | -0.7782 | |
| 144 | V | B | 0.0000 | |
| 145 | T | B | -0.1246 | |
| 146 | A | B | 0.0000 | |
| 147 | Y | B | 0.3163 | |
| 148 | A | B | 0.0000 | |
| 149 | N | B | -1.5345 | |
| 150 | G | B | -1.4391 | |
| 151 | D | B | -2.2182 | |
| 152 | H | B | -1.4382 | |
| 153 | A | B | -0.8037 | |
| 154 | V | B | -0.1689 | |
| 155 | T | B | -1.1892 | |
| 156 | V | B | -1.2639 | |
| 157 | K | B | -2.7336 | |
| 158 | D | B | -2.9247 | |
| 159 | A | B | 0.0000 | |
| 160 | K | B | -2.3020 | |
| 161 | F | B | 0.0000 | |
| 162 | I | B | -0.0578 | |
| 163 | V | B | 0.0000 | |
| 164 | G | B | -0.5412 | |
| 165 | P | B | -0.8766 | |
| 166 | M | B | -0.4482 | |
| 167 | S | B | -0.1825 | |
| 168 | S | B | -0.1327 | |
| 169 | A | B | 0.1252 | |
| 170 | W | B | 0.3074 | |
| 171 | T | B | -0.2904 | |
| 172 | P | B | 0.0000 | |
| 173 | F | B | 0.0000 | |
| 174 | D | B | -3.0600 | |
| 175 | N | B | -2.7802 | |
| 176 | K | B | -2.6621 | |
| 177 | I | B | 0.0000 | |
| 178 | V | B | 0.0000 | |
| 179 | V | B | -0.5815 | |
| 180 | Y | B | -0.8929 | |
| 181 | K | B | -2.1507 | |
| 182 | G | B | -1.7565 | |
| 183 | D | B | -1.4714 | |
| 184 | V | B | 0.0000 | |
| 185 | Y | B | 0.0000 | |
| 186 | N | B | -1.7298 | |
| 187 | M | B | -1.5125 | |
| 188 | D | B | -2.3681 | |
| 189 | Y | B | 0.0000 | |
| 190 | P | B | -0.9027 | |
| 191 | P | B | -0.4631 | |
| 192 | F | B | 0.2503 | |
| 193 | G | B | -0.1888 | |
| 194 | A | B | -0.4246 | |
| 195 | G | B | 0.0000 | |
| 196 | R | B | -2.4763 | |
| 197 | P | B | -1.7749 | |
| 198 | G | B | -1.4246 | |
| 199 | Q | B | -1.7916 | |
| 200 | F | B | 0.0000 | |
| 201 | G | B | 0.0000 | |
| 202 | D | B | 0.0000 | |
| 203 | I | B | 0.0000 | |
| 204 | Q | B | 0.0000 | |
| 205 | S | B | 0.0000 | |
| 206 | R | B | -1.9440 | |
| 207 | T | B | -1.8917 | |
| 208 | P | B | -2.2397 | |
| 209 | E | B | -3.0335 | |
| 210 | S | B | -2.6638 | |
| 211 | E | B | -3.3977 | |
| 212 | D | B | -3.0462 | |
| 213 | V | B | -1.5278 | |
| 214 | Y | B | -0.3487 | |
| 215 | A | B | 0.0000 | |
| 216 | N | B | -1.1273 | |
| 217 | T | B | 0.0000 | |
| 218 | Q | B | -1.2908 | |
| 219 | L | B | 0.0000 | |
| 220 | V | B | 0.9446 | |
| 221 | L | B | 0.0000 | |
| 222 | Q | B | -1.1604 | |
| 223 | R | B | -2.1503 | |
| 224 | P | B | 0.0000 | |
| 225 | A | B | -0.4453 | |
| 226 | A | B | 0.0473 | |
| 227 | G | B | 0.6840 | |
| 228 | T | B | 0.5346 | |
| 229 | V | B | 0.8338 | |
| 230 | H | B | -0.3818 | |
| 231 | V | B | -0.2603 | |
| 232 | P | B | -0.0784 | |
| 233 | Y | B | 0.5589 | |
| 234 | S | B | 0.1988 | |
| 235 | Q | B | -0.2132 | |
| 236 | A | B | -0.8156 | |
| 237 | P | B | -0.7909 | |
| 238 | S | B | -0.9032 | |
| 239 | G | B | 0.0000 | |
| 240 | F | B | 0.0000 | |
| 241 | K | B | -1.6614 | |
| 242 | Y | B | -1.2492 | |
| 243 | W | B | 0.0000 | |
| 244 | L | B | -1.5763 | |
| 245 | K | B | -2.7816 | |
| 246 | E | B | -3.0021 | |
| 247 | R | B | -2.1704 | |
| 248 | G | B | -1.5514 | |
| 249 | A | B | -1.0710 | |
| 250 | S | B | 0.0000 | |
| 251 | L | B | 0.0000 | |
| 252 | Q | B | -2.1213 | |
| 253 | H | B | -1.8393 | |
| 254 | T | B | -0.9890 | |
| 255 | A | B | -0.7958 | |
| 256 | P | B | -0.1766 | |
| 257 | F | B | 0.7089 | |
| 258 | G | B | -0.4863 | |
| 259 | C | B | 0.0000 | |
| 260 | Q | B | -1.5651 | |
| 261 | I | B | 0.0000 | |
| 262 | A | B | -1.4312 | |
| 263 | T | B | -1.5435 | |
| 264 | N | B | -1.8150 | |
| 265 | P | B | -1.3475 | |
| 266 | V | B | 0.0000 | |
| 267 | R | B | -1.6443 | |
| 268 | A | B | 0.0000 | |
| 269 | V | B | -0.6751 | |
| 270 | N | B | -0.2845 | |
| 271 | C | B | 0.0000 | |
| 272 | A | B | 0.2789 | |
| 273 | V | B | 0.1765 | |
| 274 | G | B | -0.4711 | |
| 275 | N | B | -0.2469 | |
| 276 | M | B | 0.0000 | |
| 277 | P | B | 0.8649 | |
| 278 | I | B | 0.0000 | |
| 279 | S | B | 0.3862 | |
| 280 | I | B | 0.0000 | |
| 281 | D | B | -2.2965 | |
| 282 | I | B | 0.0000 | |
| 283 | P | B | -2.0191 | |
| 284 | E | B | -1.9310 | |
| 285 | A | B | -0.9337 | |
| 286 | A | B | -0.8507 | |
| 287 | F | B | -0.7161 | |
| 288 | T | B | -0.8748 | |
| 289 | R | B | -1.1016 | |
| 290 | V | B | 0.3837 | |
| 291 | V | B | 0.8669 | |
| 292 | D | B | -1.2346 | |
| 293 | A | B | 0.0000 | |
| 294 | P | B | 0.0000 | |
| 295 | S | B | -0.6888 | |
| 296 | L | B | 0.0000 | |
| 297 | T | B | -1.4628 | |
| 298 | D | B | -2.2768 | |
| 299 | M | B | -1.8252 | |
| 300 | S | B | -1.8684 | |
| 301 | C | B | -1.7951 | |
| 302 | E | B | -2.1126 | |
| 303 | V | B | -0.9807 | |
| 304 | P | B | -0.6416 | |
| 305 | A | B | -0.6130 | |
| 306 | C | B | 0.0000 | |
| 307 | T | B | -1.1840 | |
| 308 | H | B | -0.9864 | |
| 309 | S | B | -1.3575 | |
| 310 | S | B | -0.7128 | |
| 311 | D | B | -1.6403 | |
| 312 | F | B | -0.8514 | |
| 313 | G | B | -0.6087 | |
| 314 | G | B | 0.0000 | |
| 315 | V | B | -0.0486 | |
| 316 | A | B | 0.0000 | |
| 317 | I | B | -1.3588 | |
| 318 | I | B | 0.0000 | |
| 319 | K | B | -3.1953 | |
| 320 | Y | B | 0.0000 | |
| 321 | A | B | -2.2246 | |
| 322 | A | B | -2.0676 | |
| 323 | S | B | -1.6690 | |
| 324 | K | B | -3.0652 | |
| 325 | K | B | -3.6250 | |
| 326 | G | B | -2.8667 | |
| 327 | K | B | -3.0917 | |
| 328 | C | B | 0.0000 | |
| 329 | A | B | 0.0000 | |
| 330 | V | B | 0.0000 | |
| 331 | H | B | -0.8861 | |
| 332 | S | B | -0.9725 | |
| 333 | M | B | -0.6557 | |
| 334 | T | B | -1.1109 | |
| 335 | N | B | -1.1921 | |
| 336 | A | B | 0.0000 | |
| 337 | V | B | 0.0000 | |
| 338 | T | B | -0.8077 | |
| 339 | I | B | 0.0000 | |
| 340 | R | B | -2.3235 | |
| 341 | E | B | -1.7268 | |
| 342 | A | B | -1.3256 | |
| 343 | E | B | -2.5924 | |
| 344 | I | B | -1.8371 | |
| 345 | E | B | -2.3897 | |
| 346 | V | B | 0.0000 | |
| 347 | E | B | -3.9407 | |
| 348 | G | B | -2.6700 | |
| 349 | N | B | -2.8193 | |
| 350 | S | B | -2.3017 | |
| 351 | Q | B | -2.7425 | |
| 352 | L | B | 0.0000 | |
| 353 | Q | B | -1.6527 | |
| 354 | I | B | 0.0000 | |
| 355 | S | B | -0.7571 | |
| 356 | F | B | 0.0000 | |
| 357 | S | B | 0.0000 | |
| 358 | T | B | 0.0000 | |
| 359 | A | B | 0.1519 | |
| 360 | L | B | 0.0000 | |
| 361 | A | B | -0.8061 | |
| 362 | S | B | -1.2926 | |
| 363 | A | B | 0.0000 | |
| 364 | E | B | -2.4099 | |
| 365 | F | B | 0.0000 | |
| 366 | R | B | -2.2701 | |
| 367 | V | B | 0.0000 | |
| 368 | Q | B | -1.1632 | |
| 369 | V | B | 0.0000 | |
| 370 | C | B | 0.0000 | |
| 371 | S | B | -0.4945 | |
| 372 | T | B | -0.8940 | |
| 373 | Q | B | -1.6994 | |
| 374 | V | B | 0.0000 | |
| 375 | H | B | -2.2845 | |
| 376 | C | B | 0.0000 | |
| 377 | A | B | -1.8143 | |
| 378 | A | B | -1.6752 | |
| 379 | E | B | -2.3406 | |
| 380 | C | B | 0.0000 | |
| 381 | H | B | -1.8086 | |
| 382 | P | B | -1.6142 | |
| 383 | P | B | -2.0505 | |
| 384 | K | B | -2.8064 | |
| 385 | D | B | -2.3856 | |
| 386 | H | B | -1.1332 | |
| 387 | I | B | 1.0841 | |
| 388 | V | B | 0.6964 | |
| 389 | N | B | -0.1599 | |
| 390 | Y | B | 0.0428 | |
| 391 | P | B | -0.3736 | |
| 392 | A | B | -0.4229 | |
| 393 | S | B | -0.7560 | |
| 394 | H | B | -0.6890 | |
| 395 | T | B | -0.2445 | |
| 396 | T | B | 0.4393 | |
| 397 | L | B | 0.8335 | |
| 398 | G | B | 0.4774 | |
| 399 | V | B | 1.0922 | |
| 400 | Q | B | -0.9184 | |
| 401 | D | B | -1.5910 | |
| 402 | I | B | -0.1357 | |
| 403 | S | B | -0.3386 | |
| 404 | A | B | -0.5086 | |
| 405 | T | B | -0.2333 | |
| 406 | A | B | 0.3897 | |
| 407 | M | B | 0.5771 | |
| 408 | S | B | 0.0770 | |
| 409 | W | B | 0.8758 | |
| 410 | V | B | 0.5359 | |
| 411 | Q | B | -0.8902 | |
| 412 | K | B | -1.0532 | |
| 413 | I | B | 0.9675 | |
| 414 | T | B | 0.5918 | |
| 415 | G | B | 0.4029 | |
| 416 | G | B | 1.3613 | |
| 417 | V | B | 2.9977 | |
| 418 | G | B | 2.3881 | |
| 419 | L | B | 3.6136 | |
| 420 | V | B | 4.3200 | |
| 421 | V | B | 4.2225 | |
| 422 | A | B | 3.5719 | |
| 423 | V | B | 4.3332 | |
| 424 | A | B | 3.6814 | |
| 425 | A | B | 3.8559 | |
| 426 | L | B | 5.0505 | |
| 427 | I | B | 5.4523 | |
| 428 | L | B | 5.1863 | |
| 429 | I | B | 5.2758 | |
| 430 | V | B | 5.6397 | |
| 431 | V | B | 5.1737 | |
| 432 | L | B | 4.4043 | |
| 433 | C | B | 4.0240 | |
| 434 | V | B | 3.5134 | |
| 435 | S | B | 2.0597 | |
| 436 | F | B | 2.3333 | |
| 437 | S | B | 0.6077 | |
| 438 | R | B | -1.1966 | |
| 439 | H | B | -1.3682 |
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 |
|||
| VR417B | -0.8588 | -0.0369 | View | CSV | PDB |
| VR434B | -1.0197 | -0.0325 | View | CSV | PDB |
| CR433B | -1.3464 | -0.0241 | View | CSV | PDB |
| VK434B | -0.6891 | -0.0308 | View | CSV | PDB |
| VR420B | -0.757 | -0.0281 | View | CSV | PDB |
| CK433B | -1.0668 | -0.0207 | View | CSV | PDB |
| VK417B | -0.6065 | -0.029 | View | CSV | PDB |
| VK420B | -0.5419 | -0.0273 | View | CSV | PDB |
| VK421B | -0.3649 | -0.0288 | View | CSV | PDB |
| VR421B | -0.2975 | -0.031 | View | CSV | PDB |
| VK423B | -0.6584 | -0.0212 | View | CSV | PDB |
| AK425B | -0.5957 | -0.0184 | View | CSV | PDB |
| VR423B | -0.1646 | -0.0259 | View | CSV | PDB |
| AK424B | -0.4223 | -0.0178 | View | CSV | PDB |
| VK431B | -0.144 | -0.025 | View | CSV | PDB |
| AR424B | -0.1926 | -0.0231 | View | CSV | PDB |
| LK419B | -0.0304 | -0.03 | View | CSV | PDB |
| FK436B | -0.0443 | -0.0253 | View | CSV | PDB |
| GE418B | -1.1701 | -0.008 | View | CSV | PDB |
| AR425B | -0.1998 | -0.0185 | View | CSV | PDB |
| LR419B | -0.0695 | -0.0227 | View | CSV | PDB |
| AR422B | -0.4098 | -0.0116 | View | CSV | PDB |
| GR418B | -0.7212 | -0.0084 | View | CSV | PDB |
| AK422B | -0.4853 | -0.0057 | View | CSV | PDB |
| LR428B | 0.0465 | -0.019 | View | CSV | PDB |
| FR436B | 0.0711 | -0.0286 | View | CSV | PDB |
| VR431B | 0.1849 | -0.0309 | View | CSV | PDB |
| IK427B | 0.1827 | -0.0252 | View | CSV | PDB |
| LK428B | 0.201 | -0.0242 | View | CSV | PDB |
| LK426B | 0.2582 | -0.0258 | View | CSV | PDB |
| IR427B | 0.3332 | -0.0296 | View | CSV | PDB |
| VK430B | 0.1984 | -0.0152 | View | CSV | PDB |
| LR426B | 0.2545 | -0.0186 | View | CSV | PDB |
| VR430B | 0.3353 | -0.0168 | View | CSV | PDB |
| IK429B | 0.6473 | -0.0231 | View | CSV | PDB |
| FK87B | 0.6777 | -0.0202 | View | CSV | PDB |
| IR429B | 0.9825 | -0.0278 | View | CSV | PDB |
| LR432B | 0.8506 | -0.021 | View | CSV | PDB |
| FE87B | 1.209 | -0.0284 | View | CSV | PDB |
| LK432B | 0.6643 | -0.0113 | 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