| Chain sequence(s) |
A: MVSTGEELFTGVVPFKFQLKGTINGKSFTVEGEGEGNSHYGRHTGKYVCTSGKLPMSWAALGTSFGYGMKYYTRYPSGLKNWFHEVMPEGFTYDRHIQYKGDGSIHAKHQHFMKNGTYHNIVEFTGQDFKENSPVLTGDMDVSLPNEVQHIPIDDGVEATVTLQYPLLSDESKCVEAYQNTIIKPLHNQPAPDVPFHWIRKQYTQSKDDTEERDHIIQLEFLRAHLITLGMDELYKIGTGFPFDPHYVEVLGERMHYVDVGPRDGTPVLFLHGNPTSSYVWRNIIPHVAPTHRCIAPDLIGMGKSDKPDLGYFFDDHVRFMDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIAFMEFIRPIPTWDEWPEFARETFQAFRTTDVGRKLIIDQNVFIEGTLPTGVVRPLTEVEMDHYREPFLNPVDREPLWRFPNELPIAGEPANIVALVEEYMDWLHQSPVPKLLFWGTPGVLIPPAEAARLAKSLPNCKAVDIGPGENLLQEDNPDLIGSEIARWL
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 (00:07:54)
[INFO] Auto_mut: Residue number 227 from chain A and a score of 2.501 (isoleucine) selected
for automated muatation (00:07:59)
[INFO] Auto_mut: Residue number 2 from chain A and a score of 2.057 (valine) selected for
automated muatation (00:07:59)
[INFO] Auto_mut: Residue number 1 from chain A and a score of 1.887 (methionine) selected
for automated muatation (00:07:59)
[INFO] Auto_mut: Residue number 226 from chain A and a score of 1.752 (leucine) selected for
automated muatation (00:07:59)
[INFO] Auto_mut: Residue number 229 from chain A and a score of 1.479 (leucine) selected for
automated muatation (00:07:59)
[INFO] Auto_mut: Residue number 228 from chain A and a score of 1.121 (threonine) selected
for automated muatation (00:07:59)
[INFO] Auto_mut: Residue number 196 from chain A and a score of 0.945 (phenylalanine)
selected for automated muatation (00:07:59)
[INFO] Auto_mut: Residue number 151 from chain A and a score of 0.806 (isoleucine) selected
for automated muatation (00:07:59)
[INFO] Auto_mut: Residue number 430 from chain A and a score of 0.789 (valine) selected for
automated muatation (00:07:59)
[INFO] Auto_mut: Residue number 12 from chain A and a score of 0.634 (valine) selected for
automated muatation (00:07:59)
[INFO] Auto_mut: Residue number 411 from chain A and a score of 0.401 (valine) selected for
automated muatation (00:07:59)
[INFO] Auto_mut: Residue number 168 from chain A and a score of 0.354 (leucine) selected for
automated muatation (00:07:59)
[INFO] Auto_mut: Residue number 144 from chain A and a score of 0.351 (leucine) selected for
automated muatation (00:07:59)
[INFO] Auto_mut: Residue number 313 from chain A and a score of 0.344 (phenylalanine)
selected for automated muatation (00:07:59)
[INFO] Auto_mut: Residue number 417 from chain A and a score of 0.337 (valine) selected for
automated muatation (00:07:59)
[INFO] Auto_mut: Residue number 3 from chain A and a score of 0.300 (serine) selected for
automated muatation (00:07:59)
[INFO] Auto_mut: Residue number 427 from chain A and a score of 0.295 (leucine) selected for
automated muatation (00:07:59)
[INFO] Auto_mut: Residue number 225 from chain A and a score of 0.222 (histidine) selected
for automated muatation (00:07:59)
[INFO] Auto_mut: Residue number 478 from chain A and a score of 0.110 (valine) selected for
automated muatation (00:07:59)
[INFO] Auto_mut: Residue number 58 from chain A and a score of 0.079 (tryptophan) selected
for automated muatation (00:07:59)
[INFO] Auto_mut: Residue number 221 from chain A and a score of 0.066 (phenylalanine)
selected for automated muatation (00:07:59)
[INFO] Auto_mut: Residue number 178 from chain A and a score of 0.050 (tyrosine) selected
for automated muatation (00:07:59)
[INFO] Auto_mut: Residue number 40 from chain A and a score of 0.037 (tyrosine) selected for
automated muatation (00:07:59)
[INFO] Auto_mut: Residue number 523 from chain A and a score of 0.028 (leucine) selected for
automated muatation (00:07:59)
[INFO] Auto_mut: Residue number 408 from chain A and a score of -0.023 (threonine) selected
for automated muatation (00:07:59)
[INFO] Auto_mut: Residue number 405 from chain A and a score of -0.026 (threonine) selected
for automated muatation (00:07:59)
[INFO] Auto_mut: Residue number 198 from chain A and a score of -0.027 (tryptophan) selected
for automated muatation (00:07:59)
[INFO] Auto_mut: Residue number 505 from chain A and a score of -0.041 (asparagine) selected
for automated muatation (00:07:59)
[INFO] Auto_mut: Residue number 11 from chain A and a score of -0.042 (glycine) selected for
automated muatation (00:07:59)
[INFO] Auto_mut: Residue number 413 from chain A and a score of -0.047 (proline) selected
for automated muatation (00:07:59)
[INFO] Auto_mut: Mutating residue number 227 from chain A (isoleucine) into glutamic acid (00:07:59)
[INFO] Auto_mut: Mutating residue number 1 from chain A (methionine) into aspartic acid (00:07:59)
[INFO] Auto_mut: Mutating residue number 228 from chain A (threonine) into glutamic acid (00:07:59)
[INFO] Auto_mut: Mutating residue number 227 from chain A (isoleucine) into lysine (00:13:25)
[INFO] Auto_mut: Mutating residue number 228 from chain A (threonine) into lysine (00:13:34)
[INFO] Auto_mut: Mutating residue number 1 from chain A (methionine) into arginine (00:13:38)
[INFO] Auto_mut: Mutating residue number 227 from chain A (isoleucine) into aspartic acid (00:20:06)
[INFO] Auto_mut: Mutating residue number 226 from chain A (leucine) into glutamic acid (00:20:06)
[INFO] Auto_mut: Mutating residue number 228 from chain A (threonine) into aspartic acid (00:20:35)
[INFO] Auto_mut: Mutating residue number 227 from chain A (isoleucine) into arginine (00:26:08)
[INFO] Auto_mut: Mutating residue number 226 from chain A (leucine) into lysine (00:26:27)
[INFO] Auto_mut: Mutating residue number 228 from chain A (threonine) into arginine (00:26:41)
[INFO] Auto_mut: Mutating residue number 2 from chain A (valine) into glutamic acid (00:31:48)
[INFO] Auto_mut: Mutating residue number 196 from chain A (phenylalanine) into glutamic acid
Mutating residue number 196 from chain A (phenylalanine) into glutamic acid (00:32:24)
[INFO] Auto_mut: Mutating residue number 226 from chain A (leucine) into aspartic acid (00:32:34)
[INFO] Auto_mut: Mutating residue number 2 from chain A (valine) into lysine (00:37:28)
[INFO] Auto_mut: Mutating residue number 226 from chain A (leucine) into arginine (00:37:29)
[INFO] Auto_mut: Mutating residue number 196 from chain A (phenylalanine) into lysine (00:38:04)
[INFO] Auto_mut: Mutating residue number 229 from chain A (leucine) into glutamic acid (00:42:37)
[INFO] Auto_mut: Mutating residue number 2 from chain A (valine) into aspartic acid (00:43:08)
[INFO] Auto_mut: Mutating residue number 196 from chain A (phenylalanine) into aspartic acid
Mutating residue number 196 from chain A (phenylalanine) into aspartic acid (00:44:22)
[INFO] Auto_mut: Mutating residue number 229 from chain A (leucine) into lysine (00:48:00)
[INFO] Auto_mut: Mutating residue number 2 from chain A (valine) into arginine (00:48:13)
[INFO] Auto_mut: Mutating residue number 196 from chain A (phenylalanine) into arginine (00:49:38)
[INFO] Auto_mut: Mutating residue number 1 from chain A (methionine) into glutamic acid (00:53:37)
[INFO] Auto_mut: Mutating residue number 229 from chain A (leucine) into aspartic acid (00:53:37)
[INFO] Auto_mut: Mutating residue number 151 from chain A (isoleucine) into glutamic acid (00:55:12)
[INFO] Auto_mut: Mutating residue number 229 from chain A (leucine) into arginine (00:58:50)
[INFO] Auto_mut: Mutating residue number 1 from chain A (methionine) into lysine (00:58:54)
[INFO] Auto_mut: Mutating residue number 151 from chain A (isoleucine) into lysine (01:00:50)
[INFO] Auto_mut: Mutating residue number 151 from chain A (isoleucine) into aspartic acid (01:04:19)
[INFO] Auto_mut: Mutating residue number 411 from chain A (valine) into glutamic acid (01:04:20)
[INFO] Auto_mut: Mutating residue number 144 from chain A (leucine) into aspartic acid (01:07:33)
[INFO] Auto_mut: Mutating residue number 151 from chain A (isoleucine) into arginine (01:09:43)
[INFO] Auto_mut: Mutating residue number 411 from chain A (valine) into lysine (01:09:53)
[INFO] Auto_mut: Mutating residue number 144 from chain A (leucine) into arginine (01:12:54)
[INFO] Auto_mut: Mutating residue number 430 from chain A (valine) into glutamic acid (01:15:15)
[INFO] Auto_mut: Mutating residue number 411 from chain A (valine) into aspartic acid (01:15:51)
[INFO] Auto_mut: Mutating residue number 313 from chain A (phenylalanine) into glutamic acid
Mutating residue number 313 from chain A (phenylalanine) into glutamic acid (01:18:56)
[INFO] Auto_mut: Mutating residue number 430 from chain A (valine) into lysine (01:20:54)
[INFO] Auto_mut: Mutating residue number 411 from chain A (valine) into arginine (01:21:20)
[INFO] Auto_mut: Mutating residue number 313 from chain A (phenylalanine) into lysine (01:24:32)
[INFO] Auto_mut: Mutating residue number 430 from chain A (valine) into aspartic acid (01:26:59)
[INFO] Auto_mut: Mutating residue number 168 from chain A (leucine) into glutamic acid (01:27:04)
[INFO] Auto_mut: Mutating residue number 313 from chain A (phenylalanine) into aspartic acid
Mutating residue number 313 from chain A (phenylalanine) into aspartic acid (01:31:22)
[INFO] Auto_mut: Mutating residue number 430 from chain A (valine) into arginine (01:32:33)
[INFO] Auto_mut: Mutating residue number 168 from chain A (leucine) into lysine (01:32:45)
[INFO] Auto_mut: Mutating residue number 313 from chain A (phenylalanine) into arginine (01:36:48)
[INFO] Auto_mut: Mutating residue number 168 from chain A (leucine) into aspartic acid (01:38:13)
[INFO] Auto_mut: Mutating residue number 12 from chain A (valine) into glutamic acid (01:38:20)
[INFO] Auto_mut: Mutating residue number 417 from chain A (valine) into glutamic acid (01:42:30)
[INFO] Auto_mut: Mutating residue number 168 from chain A (leucine) into arginine (01:43:42)
[INFO] Auto_mut: Mutating residue number 12 from chain A (valine) into lysine (01:43:57)
[INFO] Auto_mut: Mutating residue number 417 from chain A (valine) into lysine (01:48:08)
[INFO] Auto_mut: Mutating residue number 144 from chain A (leucine) into glutamic acid (01:49:17)
[INFO] Auto_mut: Mutating residue number 12 from chain A (valine) into aspartic acid (01:50:23)
[INFO] Auto_mut: Mutating residue number 417 from chain A (valine) into aspartic acid (01:54:00)
[INFO] Auto_mut: Mutating residue number 144 from chain A (leucine) into lysine (01:54:47)
[INFO] Auto_mut: Mutating residue number 12 from chain A (valine) into arginine (01:56:11)
[INFO] Auto_mut: Mutating residue number 417 from chain A (valine) into arginine (01:59:19)
[INFO] Auto_mut: Mutating residue number 3 from chain A (serine) into glutamic acid (02:00:58)
[INFO] Auto_mut: Mutating residue number 225 from chain A (histidine) into aspartic acid (02:02:14)
[INFO] Auto_mut: Mutating residue number 221 from chain A (phenylalanine) into glutamic acid
Mutating residue number 221 from chain A (phenylalanine) into glutamic acid (02:04:59)
[INFO] Auto_mut: Mutating residue number 3 from chain A (serine) into lysine (02:06:21)
[INFO] Auto_mut: Mutating residue number 225 from chain A (histidine) into arginine (02:07:58)
[INFO] Auto_mut: Mutating residue number 221 from chain A (phenylalanine) into lysine (02:10:52)
[INFO] Auto_mut: Mutating residue number 3 from chain A (serine) into aspartic acid (02:11:50)
[INFO] Auto_mut: Mutating residue number 478 from chain A (valine) into glutamic acid (02:14:09)
[INFO] Auto_mut: Mutating residue number 3 from chain A (serine) into arginine (02:17:10)
[INFO] Auto_mut: Mutating residue number 221 from chain A (phenylalanine) into aspartic acid
Mutating residue number 221 from chain A (phenylalanine) into aspartic acid (02:17:40)
[INFO] Auto_mut: Mutating residue number 478 from chain A (valine) into lysine (02:19:40)
[INFO] Auto_mut: Mutating residue number 427 from chain A (leucine) into glutamic acid (02:22:32)
[INFO] Auto_mut: Mutating residue number 221 from chain A (phenylalanine) into arginine (02:23:43)
[INFO] Auto_mut: Mutating residue number 478 from chain A (valine) into aspartic acid (02:26:22)
[INFO] Auto_mut: Mutating residue number 427 from chain A (leucine) into lysine (02:27:57)
[INFO] Auto_mut: Mutating residue number 178 from chain A (tyrosine) into glutamic acid (02:29:17)
[INFO] Auto_mut: Mutating residue number 478 from chain A (valine) into arginine (02:31:52)
[INFO] Auto_mut: Mutating residue number 427 from chain A (leucine) into aspartic acid (02:33:59)
[INFO] Auto_mut: Mutating residue number 178 from chain A (tyrosine) into lysine (02:34:59)
[INFO] Auto_mut: Mutating residue number 58 from chain A (tryptophan) into glutamic acid (02:37:23)
[INFO] Auto_mut: Mutating residue number 427 from chain A (leucine) into arginine (02:39:19)
[INFO] Auto_mut: Mutating residue number 178 from chain A (tyrosine) into aspartic acid (02:41:15)
[INFO] Auto_mut: Mutating residue number 58 from chain A (tryptophan) into lysine (02:43:28)
[INFO] Auto_mut: Mutating residue number 225 from chain A (histidine) into glutamic acid (02:45:04)
[INFO] Auto_mut: Mutating residue number 178 from chain A (tyrosine) into arginine (02:47:15)
[INFO] Auto_mut: Mutating residue number 58 from chain A (tryptophan) into aspartic acid (02:49:43)
[INFO] Auto_mut: Mutating residue number 225 from chain A (histidine) into lysine (02:50:58)
[INFO] Auto_mut: Mutating residue number 40 from chain A (tyrosine) into glutamic acid (02:53:06)
[INFO] Auto_mut: Mutating residue number 58 from chain A (tryptophan) into arginine (02:56:00)
[INFO] Auto_mut: Mutating residue number 40 from chain A (tyrosine) into aspartic acid (02:57:51)
[INFO] Auto_mut: Mutating residue number 40 from chain A (tyrosine) into lysine (02:59:26)
[INFO] Auto_mut: Mutating residue number 405 from chain A (threonine) into glutamic acid (03:02:12)
[INFO] Auto_mut: Mutating residue number 40 from chain A (tyrosine) into arginine (03:03:42)
[INFO] Auto_mut: Mutating residue number 505 from chain A (asparagine) into aspartic acid (03:05:58)
[INFO] Auto_mut: Mutating residue number 405 from chain A (threonine) into lysine (03:07:47)
[INFO] Auto_mut: Mutating residue number 523 from chain A (leucine) into glutamic acid (03:09:41)
[INFO] Auto_mut: Mutating residue number 505 from chain A (asparagine) into arginine (03:11:26)
[INFO] Auto_mut: Mutating residue number 405 from chain A (threonine) into aspartic acid (03:13:14)
[INFO] Auto_mut: Mutating residue number 523 from chain A (leucine) into lysine (03:15:05)
[INFO] Auto_mut: Mutating residue number 11 from chain A (glycine) into glutamic acid (03:17:17)
[INFO] Auto_mut: Mutating residue number 405 from chain A (threonine) into arginine (03:18:51)
[INFO] Auto_mut: Mutating residue number 523 from chain A (leucine) into aspartic acid (03:20:32)
[INFO] Auto_mut: Mutating residue number 11 from chain A (glycine) into lysine (03:22:37)
[INFO] Auto_mut: Mutating residue number 198 from chain A (tryptophan) into glutamic acid (03:24:38)
[INFO] Auto_mut: Mutating residue number 523 from chain A (leucine) into arginine (03:26:15)
[INFO] Auto_mut: Mutating residue number 11 from chain A (glycine) into aspartic acid (03:28:35)
[INFO] Auto_mut: Mutating residue number 198 from chain A (tryptophan) into lysine (03:30:08)
[INFO] Auto_mut: Mutating residue number 408 from chain A (threonine) into glutamic acid (03:31:56)
[INFO] Auto_mut: Mutating residue number 11 from chain A (glycine) into arginine (03:34:08)
[INFO] Auto_mut: Mutating residue number 198 from chain A (tryptophan) into aspartic acid (03:36:29)
[INFO] Auto_mut: Mutating residue number 408 from chain A (threonine) into lysine (03:37:46)
[INFO] Auto_mut: Mutating residue number 413 from chain A (proline) into glutamic acid (03:39:34)
[INFO] Auto_mut: Mutating residue number 198 from chain A (tryptophan) into arginine (03:42:03)
[INFO] Auto_mut: Mutating residue number 408 from chain A (threonine) into aspartic acid (03:43:48)
[INFO] Auto_mut: Mutating residue number 413 from chain A (proline) into lysine (03:45:08)
[INFO] Auto_mut: Mutating residue number 505 from chain A (asparagine) into glutamic acid (03:47:54)
[INFO] Auto_mut: Mutating residue number 408 from chain A (threonine) into arginine (03:49:29)
[INFO] Auto_mut: Mutating residue number 413 from chain A (proline) into aspartic acid (03:50:58)
[INFO] Auto_mut: Mutating residue number 505 from chain A (asparagine) into lysine (03:53:39)
[INFO] Auto_mut: Mutating residue number 413 from chain A (proline) into arginine (03:56:17)
[INFO] Auto_mut: Effect of mutation residue number 227 from chain A (isoleucine) into
glutamic acid: Energy difference: -0.3011 kcal/mol, Difference in average
score from the base case: -0.0236 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 227 from chain A (isoleucine) into
lysine: Energy difference: -0.2663 kcal/mol, Difference in average score
from the base case: -0.0209 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 227 from chain A (isoleucine) into
aspartic acid: Energy difference: -0.3860 kcal/mol, Difference in average
score from the base case: -0.0207 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 227 from chain A (isoleucine) into
arginine: Energy difference: -0.1177 kcal/mol, Difference in average score
from the base case: -0.0200 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 2 from chain A (valine) into glutamic
acid: Energy difference: -0.5257 kcal/mol, Difference in average score from
the base case: -0.0170 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 2 from chain A (valine) into lysine:
Energy difference: -0.2621 kcal/mol, Difference in average score from the
base case: -0.0157 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 2 from chain A (valine) into aspartic
acid: Energy difference: 0.0566 kcal/mol, Difference in average score from
the base case: -0.0167 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 2 from chain A (valine) into arginine:
Energy difference: -0.1026 kcal/mol, Difference in average score from the
base case: -0.0117 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 1 from chain A (methionine) into glutamic
acid: Energy difference: -0.4065 kcal/mol, Difference in average score from
the base case: -0.0097 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 1 from chain A (methionine) into lysine:
Energy difference: -0.1095 kcal/mol, Difference in average score from the
base case: -0.0102 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 1 from chain A (methionine) into aspartic
acid: Energy difference: -0.2797 kcal/mol, Difference in average score from
the base case: -0.0096 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 1 from chain A (methionine) into
arginine: Energy difference: -0.5935 kcal/mol, Difference in average score
from the base case: -0.0106 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 226 from chain A (leucine) into glutamic
acid: Energy difference: 1.1372 kcal/mol, Difference in average score from
the base case: -0.0092 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 226 from chain A (leucine) into lysine:
Energy difference: 0.9879 kcal/mol, Difference in average score from the
base case: -0.0074 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 226 from chain A (leucine) into aspartic
acid: Energy difference: 1.4884 kcal/mol, Difference in average score from
the base case: -0.0122 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 226 from chain A (leucine) into arginine:
Energy difference: 1.1390 kcal/mol, Difference in average score from the
base case: -0.0125 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 229 from chain A (leucine) into glutamic
acid: Energy difference: -0.2551 kcal/mol, Difference in average score from
the base case: -0.0199 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 229 from chain A (leucine) into lysine:
Energy difference: -0.4546 kcal/mol, Difference in average score from the
base case: -0.0198 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 229 from chain A (leucine) into aspartic
acid: Energy difference: -0.1730 kcal/mol, Difference in average score from
the base case: -0.0174 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 229 from chain A (leucine) into arginine:
Energy difference: -0.5706 kcal/mol, Difference in average score from the
base case: -0.0229 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 228 from chain A (threonine) into
glutamic acid: Energy difference: -0.9514 kcal/mol, Difference in average
score from the base case: -0.0016 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 228 from chain A (threonine) into lysine:
Energy difference: -0.4318 kcal/mol, Difference in average score from the
base case: -0.0070 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 228 from chain A (threonine) into
aspartic acid: Energy difference: -0.5710 kcal/mol, Difference in average
score from the base case: -0.0033 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 228 from chain A (threonine) into
arginine: Energy difference: -0.5140 kcal/mol, Difference in average score
from the base case: -0.0087 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 196 from chain A (phenylalanine) into
glutamic acid: Energy difference: 1.0664 kcal/mol, Difference in average
score from the base case: -0.0199 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 196 from chain A (phenylalanine) into
lysine: Energy difference: 0.4358 kcal/mol, Difference in average score
from the base case: -0.0123 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 196 from chain A (phenylalanine) into
aspartic acid: Energy difference: 1.5166 kcal/mol, Difference in average
score from the base case: -0.0165 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 196 from chain A (phenylalanine) into
arginine: Energy difference: -0.6616 kcal/mol, Difference in average score
from the base case: -0.0162 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 151 from chain A (isoleucine) into
glutamic acid: Energy difference: 1.7125 kcal/mol, Difference in average
score from the base case: -0.0168 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 151 from chain A (isoleucine) into
lysine: Energy difference: 0.8358 kcal/mol, Difference in average score
from the base case: -0.0140 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 151 from chain A (isoleucine) into
aspartic acid: Energy difference: 1.9138 kcal/mol, Difference in average
score from the base case: -0.0129 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 151 from chain A (isoleucine) into
arginine: Energy difference: -0.3155 kcal/mol, Difference in average score
from the base case: -0.0169 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 430 from chain A (valine) into glutamic
acid: Energy difference: -0.5528 kcal/mol, Difference in average score from
the base case: -0.0186 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 430 from chain A (valine) into lysine:
Energy difference: -0.7978 kcal/mol, Difference in average score from the
base case: -0.0121 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 430 from chain A (valine) into aspartic
acid: Energy difference: 0.1411 kcal/mol, Difference in average score from
the base case: -0.0199 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 430 from chain A (valine) into arginine:
Energy difference: -0.7747 kcal/mol, Difference in average score from the
base case: -0.0123 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 12 from chain A (valine) into glutamic
acid: Energy difference: 0.3648 kcal/mol, Difference in average score from
the base case: -0.0181 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 12 from chain A (valine) into lysine:
Energy difference: 0.0624 kcal/mol, Difference in average score from the
base case: -0.0168 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 12 from chain A (valine) into aspartic
acid: Energy difference: 0.2107 kcal/mol, Difference in average score from
the base case: -0.0173 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 12 from chain A (valine) into arginine:
Energy difference: -3.5795 kcal/mol, Difference in average score from the
base case: -0.0062 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 411 from chain A (valine) into glutamic
acid: Energy difference: 1.4010 kcal/mol, Difference in average score from
the base case: -0.0086 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 411 from chain A (valine) into lysine:
Energy difference: -0.9668 kcal/mol, Difference in average score from the
base case: -0.0041 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 411 from chain A (valine) into aspartic
acid: Energy difference: 2.0492 kcal/mol, Difference in average score from
the base case: -0.0114 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 411 from chain A (valine) into arginine:
Energy difference: -1.2218 kcal/mol, Difference in average score from the
base case: -0.0047 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 168 from chain A (leucine) into glutamic
acid: Energy difference: 1.1517 kcal/mol, Difference in average score from
the base case: -0.0273 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 168 from chain A (leucine) into lysine:
Energy difference: -0.5313 kcal/mol, Difference in average score from the
base case: -0.0231 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 168 from chain A (leucine) into aspartic
acid: Energy difference: 1.3582 kcal/mol, Difference in average score from
the base case: -0.0276 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 168 from chain A (leucine) into arginine:
Energy difference: -0.4220 kcal/mol, Difference in average score from the
base case: -0.0263 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 144 from chain A (leucine) into glutamic
acid: Energy difference: 1.2049 kcal/mol, Difference in average score from
the base case: -0.0122 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 144 from chain A (leucine) into lysine:
Energy difference: 0.4631 kcal/mol, Difference in average score from the
base case: -0.0092 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 144 from chain A (leucine) into aspartic
acid: Energy difference: 1.3124 kcal/mol, Difference in average score from
the base case: -0.0145 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 144 from chain A (leucine) into arginine:
Energy difference: -0.2219 kcal/mol, Difference in average score from the
base case: -0.0090 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 313 from chain A (phenylalanine) into
glutamic acid: Energy difference: 1.6298 kcal/mol, Difference in average
score from the base case: -0.0131 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 313 from chain A (phenylalanine) into
lysine: Energy difference: 0.5593 kcal/mol, Difference in average score
from the base case: -0.0120 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 313 from chain A (phenylalanine) into
aspartic acid: Energy difference: 1.9413 kcal/mol, Difference in average
score from the base case: -0.0137 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 313 from chain A (phenylalanine) into
arginine: Energy difference: -2.4082 kcal/mol, Difference in average score
from the base case: 0.0004 (04:01:49)
[INFO] Auto_mut: Effect of mutation residue number 417 from chain A (valine) into glutamic
acid: Energy difference: -0.6893 kcal/mol, Difference in average score from
the base case: -0.0171 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 417 from chain A (valine) into lysine:
Energy difference: -0.4267 kcal/mol, Difference in average score from the
base case: -0.0178 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 417 from chain A (valine) into aspartic
acid: Energy difference: 0.0810 kcal/mol, Difference in average score from
the base case: -0.0197 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 417 from chain A (valine) into arginine:
Energy difference: -0.4249 kcal/mol, Difference in average score from the
base case: -0.0198 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 3 from chain A (serine) into glutamic
acid: Energy difference: -0.6926 kcal/mol, Difference in average score from
the base case: -0.0098 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 3 from chain A (serine) into lysine:
Energy difference: -0.4222 kcal/mol, Difference in average score from the
base case: -0.0011 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 3 from chain A (serine) into aspartic
acid: Energy difference: 0.1363 kcal/mol, Difference in average score from
the base case: -0.0090 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 3 from chain A (serine) into arginine:
Energy difference: -0.4239 kcal/mol, Difference in average score from the
base case: -0.0088 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 427 from chain A (leucine) into glutamic
acid: Energy difference: 0.3960 kcal/mol, Difference in average score from
the base case: -0.0136 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 427 from chain A (leucine) into lysine:
Energy difference: -0.0851 kcal/mol, Difference in average score from the
base case: -0.0139 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 427 from chain A (leucine) into aspartic
acid: Energy difference: 0.8470 kcal/mol, Difference in average score from
the base case: -0.0185 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 427 from chain A (leucine) into arginine:
Energy difference: -0.3556 kcal/mol, Difference in average score from the
base case: -0.0140 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 225 from chain A (histidine) into
glutamic acid: Energy difference: -0.1105 kcal/mol, Difference in average
score from the base case: -0.0065 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 225 from chain A (histidine) into lysine:
Energy difference: 0.6527 kcal/mol, Difference in average score from the
base case: 0.0081 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 225 from chain A (histidine) into
aspartic acid: Energy difference: -0.2758 kcal/mol, Difference in average
score from the base case: -0.0088 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 225 from chain A (histidine) into
arginine: Energy difference: -0.3685 kcal/mol, Difference in average score
from the base case: 0.0036 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 478 from chain A (valine) into glutamic
acid: Energy difference: 2.4008 kcal/mol, Difference in average score from
the base case: -0.0017 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 478 from chain A (valine) into lysine:
Energy difference: 1.1959 kcal/mol, Difference in average score from the
base case: -0.0006 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 478 from chain A (valine) into aspartic
acid: Energy difference: 3.5278 kcal/mol, Difference in average score from
the base case: -0.0024 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 478 from chain A (valine) into arginine:
Energy difference: 0.9087 kcal/mol, Difference in average score from the
base case: -0.0004 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 58 from chain A (tryptophan) into
glutamic acid: Energy difference: 6.5266 kcal/mol, Difference in average
score from the base case: -0.0084 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 58 from chain A (tryptophan) into lysine:
Energy difference: 6.1927 kcal/mol, Difference in average score from the
base case: -0.0010 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 58 from chain A (tryptophan) into
aspartic acid: Energy difference: 7.1277 kcal/mol, Difference in average
score from the base case: -0.0008 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 58 from chain A (tryptophan) into
arginine: Energy difference: 5.7907 kcal/mol, Difference in average score
from the base case: -0.0061 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 221 from chain A (phenylalanine) into
glutamic acid: Energy difference: 0.9669 kcal/mol, Difference in average
score from the base case: -0.0036 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 221 from chain A (phenylalanine) into
lysine: Energy difference: 1.6485 kcal/mol, Difference in average score
from the base case: 0.0011 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 221 from chain A (phenylalanine) into
aspartic acid: Energy difference: 1.0297 kcal/mol, Difference in average
score from the base case: -0.0065 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 221 from chain A (phenylalanine) into
arginine: Energy difference: 1.6885 kcal/mol, Difference in average score
from the base case: 0.0016 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 178 from chain A (tyrosine) into glutamic
acid: Energy difference: 1.0683 kcal/mol, Difference in average score from
the base case: -0.0127 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 178 from chain A (tyrosine) into lysine:
Energy difference: 0.1756 kcal/mol, Difference in average score from the
base case: -0.0106 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 178 from chain A (tyrosine) into aspartic
acid: Energy difference: 1.4267 kcal/mol, Difference in average score from
the base case: -0.0067 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 178 from chain A (tyrosine) into
arginine: Energy difference: 0.7333 kcal/mol, Difference in average score
from the base case: -0.0147 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 40 from chain A (tyrosine) into glutamic
acid: Energy difference: 3.4632 kcal/mol, Difference in average score from
the base case: -0.0012 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 40 from chain A (tyrosine) into lysine:
Energy difference: 3.5784 kcal/mol, Difference in average score from the
base case: -0.0019 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 40 from chain A (tyrosine) into aspartic
acid: Energy difference: 3.3321 kcal/mol, Difference in average score from
the base case: -0.0027 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 40 from chain A (tyrosine) into arginine:
Energy difference: 1.1673 kcal/mol, Difference in average score from the
base case: -0.0012 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 523 from chain A (leucine) into glutamic
acid: Energy difference: 3.4999 kcal/mol, Difference in average score from
the base case: -0.0078 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 523 from chain A (leucine) into lysine:
Energy difference: 5.6626 kcal/mol, Difference in average score from the
base case: -0.0056 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 523 from chain A (leucine) into aspartic
acid: Energy difference: 3.8317 kcal/mol, Difference in average score from
the base case: -0.0102 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 523 from chain A (leucine) into arginine:
Energy difference: 3.2146 kcal/mol, Difference in average score from the
base case: -0.0046 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 408 from chain A (threonine) into
glutamic acid: Energy difference: 0.8425 kcal/mol, Difference in average
score from the base case: -0.0017 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 408 from chain A (threonine) into lysine:
Energy difference: 0.8544 kcal/mol, Difference in average score from the
base case: 0.0012 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 408 from chain A (threonine) into
aspartic acid: Energy difference: 1.0661 kcal/mol, Difference in average
score from the base case: -0.0014 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 408 from chain A (threonine) into
arginine: Energy difference: -1.0102 kcal/mol, Difference in average score
from the base case: -0.0002 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 405 from chain A (threonine) into
glutamic acid: Energy difference: -0.8214 kcal/mol, Difference in average
score from the base case: 0.0007 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 405 from chain A (threonine) into lysine:
Energy difference: -1.0357 kcal/mol, Difference in average score from the
base case: 0.0002 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 405 from chain A (threonine) into
aspartic acid: Energy difference: -0.0533 kcal/mol, Difference in average
score from the base case: 0.0006 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 405 from chain A (threonine) into
arginine: Energy difference: -2.0046 kcal/mol, Difference in average score
from the base case: 0.0018 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 198 from chain A (tryptophan) into
glutamic acid: Energy difference: 3.0369 kcal/mol, Difference in average
score from the base case: -0.0026 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 198 from chain A (tryptophan) into
lysine: Energy difference: 1.3185 kcal/mol, Difference in average score
from the base case: 0.0029 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 198 from chain A (tryptophan) into
aspartic acid: Energy difference: 3.5838 kcal/mol, Difference in average
score from the base case: -0.0019 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 198 from chain A (tryptophan) into
arginine: Energy difference: 1.1490 kcal/mol, Difference in average score
from the base case: 0.0042 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 505 from chain A (asparagine) into
glutamic acid: Energy difference: 1.4307 kcal/mol, Difference in average
score from the base case: -0.0002 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 505 from chain A (asparagine) into
lysine: Energy difference: -1.7997 kcal/mol, Difference in average score
from the base case: 0.0010 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 505 from chain A (asparagine) into
aspartic acid: Energy difference: 4.1337 kcal/mol, Difference in average
score from the base case: -0.0012 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 505 from chain A (asparagine) into
arginine: Energy difference: -3.1918 kcal/mol, Difference in average score
from the base case: 0.0016 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 11 from chain A (glycine) into glutamic
acid: Energy difference: 3.9407 kcal/mol, Difference in average score from
the base case: -0.0094 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 11 from chain A (glycine) into lysine:
Energy difference: 3.6848 kcal/mol, Difference in average score from the
base case: -0.0088 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 11 from chain A (glycine) into aspartic
acid: Energy difference: 2.8394 kcal/mol, Difference in average score from
the base case: -0.0124 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 11 from chain A (glycine) into arginine:
Energy difference: 3.4216 kcal/mol, Difference in average score from the
base case: -0.0087 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 413 from chain A (proline) into glutamic
acid: Energy difference: -0.2289 kcal/mol, Difference in average score from
the base case: 0.0013 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 413 from chain A (proline) into lysine:
Energy difference: 5.4280 kcal/mol, Difference in average score from the
base case: 0.0051 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 413 from chain A (proline) into aspartic
acid: Energy difference: 1.7462 kcal/mol, Difference in average score from
the base case: 0.0031 (04:01:50)
[INFO] Auto_mut: Effect of mutation residue number 413 from chain A (proline) into arginine:
Energy difference: 4.6673 kcal/mol, Difference in average score from the
base case: -0.0008 (04:01:50)
[INFO] Main: Simulation completed successfully. (04:02:46)
|
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 | M | A | 1.8867 | |
| 2 | V | A | 2.0572 | |
| 3 | S | A | 0.3003 | |
| 4 | T | A | -0.6598 | |
| 5 | G | A | 0.0000 | |
| 6 | E | A | -3.0890 | |
| 7 | E | A | -2.5234 | |
| 8 | L | A | -1.0542 | |
| 9 | F | A | 0.0000 | |
| 10 | T | A | -0.8875 | |
| 11 | G | A | -0.0419 | |
| 12 | V | A | 0.6339 | |
| 13 | V | A | 0.0000 | |
| 14 | P | A | -1.1086 | |
| 15 | F | A | 0.0000 | |
| 16 | K | A | -2.0931 | |
| 17 | F | A | 0.0000 | |
| 18 | Q | A | -2.0603 | |
| 19 | L | A | 0.0000 | |
| 20 | K | A | -2.6134 | |
| 21 | G | A | 0.0000 | |
| 22 | T | A | -1.6770 | |
| 23 | I | A | 0.0000 | |
| 24 | N | A | -2.3985 | |
| 25 | G | A | -1.8913 | |
| 26 | K | A | -2.2003 | |
| 27 | S | A | -1.5230 | |
| 28 | F | A | 0.0000 | |
| 29 | T | A | -1.6140 | |
| 30 | V | A | 0.0000 | |
| 31 | E | A | -2.2157 | |
| 32 | G | A | 0.0000 | |
| 33 | E | A | -2.9398 | |
| 34 | G | A | -2.0369 | |
| 35 | E | A | -1.8493 | |
| 36 | G | A | 0.0000 | |
| 37 | N | A | 0.0000 | |
| 38 | S | A | 0.0000 | |
| 39 | H | A | -0.6629 | |
| 40 | Y | A | 0.0367 | |
| 41 | G | A | 0.0000 | |
| 42 | R | A | 0.0000 | |
| 43 | H | A | 0.0000 | |
| 44 | T | A | -0.9578 | |
| 45 | G | A | 0.0000 | |
| 46 | K | A | -1.5778 | |
| 47 | Y | A | 0.0000 | |
| 48 | V | A | 0.0000 | |
| 49 | C | A | 0.0000 | |
| 50 | T | A | -1.2541 | |
| 51 | S | A | -1.3225 | |
| 52 | G | A | -1.6560 | |
| 53 | K | A | -2.2097 | |
| 54 | L | A | -1.2187 | |
| 55 | P | A | -0.8973 | |
| 56 | M | A | 0.0000 | |
| 57 | S | A | 0.0000 | |
| 58 | W | A | 0.0786 | |
| 59 | A | A | 0.0000 | |
| 60 | A | A | 0.0000 | |
| 61 | L | A | 0.0000 | |
| 62 | G | A | 0.0000 | |
| 63 | T | A | 0.0000 | |
| 64 | S | A | 0.0000 | |
| 65 | F | A | 0.0000 | |
| 66 | G | A | 0.0000 | |
| 67 | Y | A | 0.0000 | |
| 68 | G | A | 0.0000 | |
| 69 | M | A | 0.0000 | |
| 70 | K | A | 0.0000 | |
| 71 | Y | A | 0.0000 | |
| 72 | Y | A | 0.0000 | |
| 73 | T | A | 0.0000 | |
| 74 | R | A | -0.4439 | |
| 75 | Y | A | -0.5310 | |
| 76 | P | A | -0.4451 | |
| 77 | S | A | -0.6066 | |
| 78 | G | A | -0.9432 | |
| 79 | L | A | 0.0000 | |
| 80 | K | A | -2.3550 | |
| 81 | N | A | -1.6416 | |
| 82 | W | A | 0.0000 | |
| 83 | F | A | 0.0000 | |
| 84 | H | A | 0.0000 | |
| 85 | E | A | -2.0760 | |
| 86 | V | A | 0.0000 | |
| 87 | M | A | 0.0000 | |
| 88 | P | A | -0.8797 | |
| 89 | E | A | -1.7615 | |
| 90 | G | A | 0.0000 | |
| 91 | F | A | 0.0000 | |
| 92 | T | A | -0.6697 | |
| 93 | Y | A | 0.0000 | |
| 94 | D | A | -1.5862 | |
| 95 | R | A | 0.0000 | |
| 96 | H | A | -1.4874 | |
| 97 | I | A | 0.0000 | |
| 98 | Q | A | -1.3245 | |
| 99 | Y | A | 0.0000 | |
| 100 | K | A | -2.1263 | |
| 101 | G | A | -1.7814 | |
| 102 | D | A | -2.4855 | |
| 103 | G | A | 0.0000 | |
| 104 | S | A | -1.5616 | |
| 105 | I | A | 0.0000 | |
| 106 | H | A | -1.7400 | |
| 107 | A | A | 0.0000 | |
| 108 | K | A | -2.0169 | |
| 109 | H | A | 0.0000 | |
| 110 | Q | A | -1.0560 | |
| 111 | H | A | 0.0000 | |
| 112 | F | A | -0.5499 | |
| 113 | M | A | 0.0000 | |
| 114 | K | A | -2.5975 | |
| 115 | N | A | -2.3301 | |
| 116 | G | A | -1.6088 | |
| 117 | T | A | -1.7405 | |
| 118 | Y | A | 0.0000 | |
| 119 | H | A | -1.0473 | |
| 120 | N | A | 0.0000 | |
| 121 | I | A | -0.9399 | |
| 122 | V | A | 0.0000 | |
| 123 | E | A | -2.9098 | |
| 124 | F | A | 0.0000 | |
| 125 | T | A | -1.6237 | |
| 126 | G | A | 0.0000 | |
| 127 | Q | A | -2.6282 | |
| 128 | D | A | -3.1423 | |
| 129 | F | A | 0.0000 | |
| 130 | K | A | -3.6999 | |
| 131 | E | A | -3.5003 | |
| 132 | N | A | -2.7696 | |
| 133 | S | A | 0.0000 | |
| 134 | P | A | -0.8031 | |
| 135 | V | A | 0.0000 | |
| 136 | L | A | -0.8854 | |
| 137 | T | A | -0.9867 | |
| 138 | G | A | -0.2572 | |
| 139 | D | A | -0.3107 | |
| 140 | M | A | 0.0000 | |
| 141 | D | A | -0.1638 | |
| 142 | V | A | 0.0000 | |
| 143 | S | A | 0.0000 | |
| 144 | L | A | 0.3512 | |
| 145 | P | A | -0.4381 | |
| 146 | N | A | -1.1191 | |
| 147 | E | A | -2.1292 | |
| 148 | V | A | 0.0000 | |
| 149 | Q | A | -0.7858 | |
| 150 | H | A | 0.0000 | |
| 151 | I | A | 0.8060 | |
| 152 | P | A | -0.4682 | |
| 153 | I | A | -0.8392 | |
| 154 | D | A | -2.6494 | |
| 155 | D | A | -3.0585 | |
| 156 | G | A | 0.0000 | |
| 157 | V | A | 0.0000 | |
| 158 | E | A | -0.2964 | |
| 159 | A | A | 0.0000 | |
| 160 | T | A | -0.4518 | |
| 161 | V | A | 0.0000 | |
| 162 | T | A | -0.3083 | |
| 163 | L | A | 0.0000 | |
| 164 | Q | A | -0.6136 | |
| 165 | Y | A | 0.0000 | |
| 166 | P | A | 0.0000 | |
| 167 | L | A | -0.6786 | |
| 168 | L | A | 0.3542 | |
| 169 | S | A | -0.5346 | |
| 170 | D | A | -1.6069 | |
| 171 | E | A | -2.2969 | |
| 172 | S | A | -1.8403 | |
| 173 | K | A | -2.2941 | |
| 174 | C | A | -0.9931 | |
| 175 | V | A | -0.9388 | |
| 176 | E | A | -1.2857 | |
| 177 | A | A | 0.0000 | |
| 178 | Y | A | 0.0502 | |
| 179 | Q | A | 0.0000 | |
| 180 | N | A | -0.8495 | |
| 181 | T | A | 0.0000 | |
| 182 | I | A | -0.4162 | |
| 183 | I | A | 0.0000 | |
| 184 | K | A | -1.6626 | |
| 185 | P | A | -1.5585 | |
| 186 | L | A | -1.2808 | |
| 187 | H | A | -1.9231 | |
| 188 | N | A | -2.2953 | |
| 189 | Q | A | -1.6870 | |
| 190 | P | A | -1.7621 | |
| 191 | A | A | -1.8619 | |
| 192 | P | A | -1.8057 | |
| 193 | D | A | -2.5041 | |
| 194 | V | A | 0.0000 | |
| 195 | P | A | -0.0811 | |
| 196 | F | A | 0.9449 | |
| 197 | H | A | 0.0000 | |
| 198 | W | A | -0.0271 | |
| 199 | I | A | 0.0000 | |
| 200 | R | A | -1.1929 | |
| 201 | K | A | 0.0000 | |
| 202 | Q | A | 0.0000 | |
| 203 | Y | A | 0.0000 | |
| 204 | T | A | 0.0000 | |
| 205 | Q | A | -0.5346 | |
| 206 | S | A | -1.2755 | |
| 207 | K | A | -2.5695 | |
| 208 | D | A | -2.5475 | |
| 209 | D | A | -2.8427 | |
| 210 | T | A | -2.0074 | |
| 211 | E | A | -2.5681 | |
| 212 | E | A | -3.2683 | |
| 213 | R | A | -2.9731 | |
| 214 | D | A | -2.2517 | |
| 215 | H | A | 0.0000 | |
| 216 | I | A | 0.0000 | |
| 217 | I | A | -0.5957 | |
| 218 | Q | A | 0.0000 | |
| 219 | L | A | 0.0000 | |
| 220 | E | A | 0.0000 | |
| 221 | F | A | 0.0656 | |
| 222 | L | A | 0.0000 | |
| 223 | R | A | -0.5533 | |
| 224 | A | A | 0.0000 | |
| 225 | H | A | 0.2219 | |
| 226 | L | A | 1.7525 | |
| 227 | I | A | 2.5009 | |
| 228 | T | A | 1.1206 | |
| 229 | L | A | 1.4792 | |
| 230 | G | A | -0.1192 | |
| 231 | M | A | -0.3454 | |
| 232 | D | A | -2.2870 | |
| 233 | E | A | -2.1600 | |
| 234 | L | A | -0.1656 | |
| 235 | Y | A | -0.8705 | |
| 236 | K | A | -2.2207 | |
| 237 | I | A | -1.3984 | |
| 238 | G | A | -0.9714 | |
| 239 | T | A | -0.5085 | |
| 240 | G | A | -0.1703 | |
| 241 | F | A | -0.2311 | |
| 242 | P | A | -0.5581 | |
| 243 | F | A | -0.7169 | |
| 244 | D | A | -1.7842 | |
| 245 | P | A | -1.1312 | |
| 246 | H | A | -0.6358 | |
| 247 | Y | A | -0.4027 | |
| 248 | V | A | -0.8399 | |
| 249 | E | A | -2.2796 | |
| 250 | V | A | 0.0000 | |
| 251 | L | A | -0.1421 | |
| 252 | G | A | -1.0367 | |
| 253 | E | A | -1.8068 | |
| 254 | R | A | -2.7456 | |
| 255 | M | A | 0.0000 | |
| 256 | H | A | 0.0000 | |
| 257 | Y | A | -0.3807 | |
| 258 | V | A | 0.0000 | |
| 259 | D | A | 0.0000 | |
| 260 | V | A | -0.4666 | |
| 261 | G | A | -1.0258 | |
| 262 | P | A | -1.7655 | |
| 263 | R | A | -2.8659 | |
| 264 | D | A | -2.8440 | |
| 265 | G | A | -1.7687 | |
| 266 | T | A | -1.4158 | |
| 267 | P | A | -1.3852 | |
| 268 | V | A | 0.0000 | |
| 269 | L | A | 0.0000 | |
| 270 | F | A | 0.0000 | |
| 271 | L | A | 0.0000 | |
| 272 | H | A | 0.0000 | |
| 273 | G | A | 0.0000 | |
| 274 | N | A | 0.0000 | |
| 275 | P | A | 0.0000 | |
| 276 | T | A | 0.0000 | |
| 277 | S | A | 0.0000 | |
| 278 | S | A | 0.0000 | |
| 279 | Y | A | 0.0000 | |
| 280 | V | A | 0.0000 | |
| 281 | W | A | 0.0000 | |
| 282 | R | A | 0.0000 | |
| 283 | N | A | -0.7789 | |
| 284 | I | A | 0.0000 | |
| 285 | I | A | 0.0000 | |
| 286 | P | A | -0.6668 | |
| 287 | H | A | -1.0165 | |
| 288 | V | A | 0.0000 | |
| 289 | A | A | -0.3998 | |
| 290 | P | A | -0.4837 | |
| 291 | T | A | -0.7125 | |
| 292 | H | A | -0.9247 | |
| 293 | R | A | -1.2915 | |
| 294 | C | A | 0.0000 | |
| 295 | I | A | 0.0000 | |
| 296 | A | A | 0.0000 | |
| 297 | P | A | 0.0000 | |
| 298 | D | A | 0.0000 | |
| 299 | L | A | 0.0000 | |
| 300 | I | A | 0.0000 | |
| 301 | G | A | 0.0000 | |
| 302 | M | A | 0.0000 | |
| 303 | G | A | -1.3336 | |
| 304 | K | A | -2.1587 | |
| 305 | S | A | 0.0000 | |
| 306 | D | A | -2.0541 | |
| 307 | K | A | -1.3874 | |
| 308 | P | A | -1.4521 | |
| 309 | D | A | -1.6095 | |
| 310 | L | A | -0.4493 | |
| 311 | G | A | -0.3431 | |
| 312 | Y | A | 0.0000 | |
| 313 | F | A | 0.3440 | |
| 314 | F | A | 0.0000 | |
| 315 | D | A | -2.0004 | |
| 316 | D | A | -1.3102 | |
| 317 | H | A | 0.0000 | |
| 318 | V | A | -1.4096 | |
| 319 | R | A | -2.2839 | |
| 320 | F | A | 0.0000 | |
| 321 | M | A | 0.0000 | |
| 322 | D | A | -1.4080 | |
| 323 | A | A | -1.2538 | |
| 324 | F | A | 0.0000 | |
| 325 | I | A | 0.0000 | |
| 326 | E | A | -2.2826 | |
| 327 | A | A | -1.0767 | |
| 328 | L | A | -0.7778 | |
| 329 | G | A | -1.6851 | |
| 330 | L | A | 0.0000 | |
| 331 | E | A | -3.1316 | |
| 332 | E | A | -2.9225 | |
| 333 | V | A | 0.0000 | |
| 334 | V | A | 0.0000 | |
| 335 | L | A | 0.0000 | |
| 336 | V | A | 0.0000 | |
| 337 | I | A | 0.0000 | |
| 338 | H | A | 0.0000 | |
| 339 | D | A | 0.0000 | |
| 340 | W | A | 0.0000 | |
| 341 | G | A | 0.0000 | |
| 342 | S | A | 0.0000 | |
| 343 | A | A | 0.0000 | |
| 344 | L | A | 0.0000 | |
| 345 | G | A | 0.0000 | |
| 346 | F | A | 0.0000 | |
| 347 | H | A | -0.7610 | |
| 348 | W | A | 0.0000 | |
| 349 | A | A | 0.0000 | |
| 350 | K | A | -1.8291 | |
| 351 | R | A | -1.6180 | |
| 352 | N | A | -1.8494 | |
| 353 | P | A | -1.8925 | |
| 354 | E | A | -2.8547 | |
| 355 | R | A | -2.6644 | |
| 356 | V | A | 0.0000 | |
| 357 | K | A | -1.6623 | |
| 358 | G | A | 0.0000 | |
| 359 | I | A | 0.0000 | |
| 360 | A | A | 0.0000 | |
| 361 | F | A | 0.0000 | |
| 362 | M | A | 0.0000 | |
| 363 | E | A | 0.0000 | |
| 364 | F | A | 0.0000 | |
| 365 | I | A | 0.0000 | |
| 366 | R | A | 0.0000 | |
| 367 | P | A | -0.7185 | |
| 368 | I | A | 0.0000 | |
| 369 | P | A | -0.9790 | |
| 370 | T | A | -1.2104 | |
| 371 | W | A | -1.5883 | |
| 372 | D | A | -2.6460 | |
| 373 | E | A | -2.1731 | |
| 374 | W | A | 0.0000 | |
| 375 | P | A | -1.5367 | |
| 376 | E | A | -2.3330 | |
| 377 | F | A | -0.9054 | |
| 378 | A | A | 0.0000 | |
| 379 | R | A | -1.8892 | |
| 380 | E | A | -1.7063 | |
| 381 | T | A | 0.0000 | |
| 382 | F | A | -0.6317 | |
| 383 | Q | A | -1.1287 | |
| 384 | A | A | -1.0757 | |
| 385 | F | A | 0.0000 | |
| 386 | R | A | -1.0554 | |
| 387 | T | A | -1.0047 | |
| 388 | T | A | -1.3834 | |
| 389 | D | A | -2.2145 | |
| 390 | V | A | -1.4849 | |
| 391 | G | A | 0.0000 | |
| 392 | R | A | -2.2268 | |
| 393 | K | A | -2.1556 | |
| 394 | L | A | 0.0000 | |
| 395 | I | A | 0.0000 | |
| 396 | I | A | 0.0000 | |
| 397 | D | A | -2.2450 | |
| 398 | Q | A | -1.2450 | |
| 399 | N | A | 0.0000 | |
| 400 | V | A | 0.0000 | |
| 401 | F | A | 0.0000 | |
| 402 | I | A | 0.0000 | |
| 403 | E | A | -0.4247 | |
| 404 | G | A | 0.0000 | |
| 405 | T | A | -0.0259 | |
| 406 | L | A | 0.0000 | |
| 407 | P | A | 0.0000 | |
| 408 | T | A | -0.0232 | |
| 409 | G | A | 0.0000 | |
| 410 | V | A | 0.0000 | |
| 411 | V | A | 0.4006 | |
| 412 | R | A | 0.0000 | |
| 413 | P | A | -0.0473 | |
| 414 | L | A | 0.0000 | |
| 415 | T | A | 0.0000 | |
| 416 | E | A | -0.6608 | |
| 417 | V | A | 0.3368 | |
| 418 | E | A | 0.0000 | |
| 419 | M | A | 0.0000 | |
| 420 | D | A | -2.1604 | |
| 421 | H | A | -1.7119 | |
| 422 | Y | A | 0.0000 | |
| 423 | R | A | -1.6155 | |
| 424 | E | A | -2.5138 | |
| 425 | P | A | -1.5760 | |
| 426 | F | A | 0.0000 | |
| 427 | L | A | 0.2949 | |
| 428 | N | A | -0.6067 | |
| 429 | P | A | -0.3886 | |
| 430 | V | A | 0.7890 | |
| 431 | D | A | -0.0134 | |
| 432 | R | A | 0.0000 | |
| 433 | E | A | -0.3726 | |
| 434 | P | A | 0.0000 | |
| 435 | L | A | 0.0000 | |
| 436 | W | A | 0.0000 | |
| 437 | R | A | -0.3392 | |
| 438 | F | A | 0.0000 | |
| 439 | P | A | 0.0000 | |
| 440 | N | A | -0.5827 | |
| 441 | E | A | 0.0000 | |
| 442 | L | A | 0.0000 | |
| 443 | P | A | 0.0000 | |
| 444 | I | A | 0.0000 | |
| 445 | A | A | -1.0705 | |
| 446 | G | A | -1.4000 | |
| 447 | E | A | -2.2210 | |
| 448 | P | A | -1.5569 | |
| 449 | A | A | -1.2588 | |
| 450 | N | A | -1.4694 | |
| 451 | I | A | 0.0000 | |
| 452 | V | A | -1.3933 | |
| 453 | A | A | -1.5207 | |
| 454 | L | A | -1.2079 | |
| 455 | V | A | 0.0000 | |
| 456 | E | A | -3.0157 | |
| 457 | E | A | -3.2433 | |
| 458 | Y | A | 0.0000 | |
| 459 | M | A | 0.0000 | |
| 460 | D | A | -3.3073 | |
| 461 | W | A | -2.2781 | |
| 462 | L | A | 0.0000 | |
| 463 | H | A | -1.7231 | |
| 464 | Q | A | -1.9728 | |
| 465 | S | A | 0.0000 | |
| 466 | P | A | -0.9632 | |
| 467 | V | A | 0.0000 | |
| 468 | P | A | -0.8559 | |
| 469 | K | A | 0.0000 | |
| 470 | L | A | 0.0000 | |
| 471 | L | A | 0.0000 | |
| 472 | F | A | 0.0000 | |
| 473 | W | A | -0.3667 | |
| 474 | G | A | 0.0000 | |
| 475 | T | A | -0.3711 | |
| 476 | P | A | -0.1424 | |
| 477 | G | A | -0.0632 | |
| 478 | V | A | 0.1095 | |
| 479 | L | A | 0.0000 | |
| 480 | I | A | 0.0000 | |
| 481 | P | A | -0.1491 | |
| 482 | P | A | -0.5241 | |
| 483 | A | A | -0.4611 | |
| 484 | E | A | -0.6916 | |
| 485 | A | A | 0.0000 | |
| 486 | A | A | -1.2033 | |
| 487 | R | A | -1.9430 | |
| 488 | L | A | 0.0000 | |
| 489 | A | A | -1.6336 | |
| 490 | K | A | -2.4295 | |
| 491 | S | A | -1.6424 | |
| 492 | L | A | 0.0000 | |
| 493 | P | A | -1.5580 | |
| 494 | N | A | -1.9627 | |
| 495 | C | A | -1.3682 | |
| 496 | K | A | -1.4020 | |
| 497 | A | A | -0.8345 | |
| 498 | V | A | -0.6351 | |
| 499 | D | A | -1.2398 | |
| 500 | I | A | 0.0000 | |
| 501 | G | A | -0.6659 | |
| 502 | P | A | -0.4611 | |
| 503 | G | A | 0.0000 | |
| 504 | E | A | 0.0000 | |
| 505 | N | A | -0.0412 | |
| 506 | L | A | 0.0000 | |
| 507 | L | A | 0.0000 | |
| 508 | Q | A | 0.0000 | |
| 509 | E | A | 0.0000 | |
| 510 | D | A | -0.3864 | |
| 511 | N | A | -0.7824 | |
| 512 | P | A | 0.0000 | |
| 513 | D | A | -1.9824 | |
| 514 | L | A | -0.7429 | |
| 515 | I | A | 0.0000 | |
| 516 | G | A | 0.0000 | |
| 517 | S | A | -1.0757 | |
| 518 | E | A | -0.8698 | |
| 519 | I | A | 0.0000 | |
| 520 | A | A | -0.7761 | |
| 521 | R | A | -1.6446 | |
| 522 | W | A | -0.5439 | |
| 523 | L | A | 0.0275 |
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 |
|||
| VR12A | -3.5795 | -0.0062 | View | CSV | PDB |
| LR229A | -0.5706 | -0.0229 | View | CSV | PDB |
| LR168A | -0.422 | -0.0263 | View | CSV | PDB |
| LK168A | -0.5313 | -0.0231 | View | CSV | PDB |
| VE417A | -0.6893 | -0.0171 | View | CSV | PDB |
| VE430A | -0.5528 | -0.0186 | View | CSV | PDB |
| IE227A | -0.3011 | -0.0236 | View | CSV | PDB |
| LK229A | -0.4546 | -0.0198 | View | CSV | PDB |
| FR196A | -0.6616 | -0.0162 | View | CSV | PDB |
| ID227A | -0.386 | -0.0207 | View | CSV | PDB |
| VR417A | -0.4249 | -0.0198 | View | CSV | PDB |
| VE2A | -0.5257 | -0.017 | View | CSV | PDB |
| VK430A | -0.7978 | -0.0121 | View | CSV | PDB |
| IR151A | -0.3155 | -0.0169 | View | CSV | PDB |
| LR427A | -0.3556 | -0.014 | View | CSV | PDB |
| VK2A | -0.2621 | -0.0157 | View | CSV | PDB |
| SE3A | -0.6926 | -0.0098 | View | CSV | PDB |
| MR1A | -0.5935 | -0.0106 | View | CSV | PDB |
| TR228A | -0.514 | -0.0087 | View | CSV | PDB |
| ME1A | -0.4065 | -0.0097 | View | CSV | PDB |
| LK427A | -0.0851 | -0.0139 | View | CSV | PDB |
| SR3A | -0.4239 | -0.0088 | View | CSV | PDB |
| VR411A | -1.2218 | -0.0047 | View | CSV | PDB |
| HD225A | -0.2758 | -0.0088 | View | CSV | PDB |
| TK228A | -0.4318 | -0.007 | View | CSV | PDB |
| LR144A | -0.2219 | -0.009 | View | CSV | PDB |
| VK411A | -0.9668 | -0.0041 | View | CSV | PDB |
| HE225A | -0.1105 | -0.0065 | View | CSV | PDB |
| TR408A | -1.0102 | -0.0002 | View | CSV | PDB |
| VK12A | 0.0624 | -0.0168 | View | CSV | PDB |
| YK178A | 0.1756 | -0.0106 | View | CSV | PDB |
| FK196A | 0.4358 | -0.0123 | View | CSV | PDB |
| FK313A | 0.5593 | -0.012 | View | CSV | PDB |
| YR178A | 0.7333 | -0.0147 | View | CSV | PDB |
| LK144A | 0.4631 | -0.0092 | View | CSV | PDB |
| IK151A | 0.8358 | -0.014 | View | CSV | PDB |
| LR226A | 1.139 | -0.0125 | View | CSV | PDB |
| LD226A | 1.4884 | -0.0122 | View | CSV | PDB |
| FE313A | 1.6298 | -0.0131 | View | CSV | PDB |
| FD221A | 1.0297 | -0.0065 | View | CSV | PDB |
| GD11A | 2.8394 | -0.0124 | View | CSV | PDB |
| FE221A | 0.9669 | -0.0036 | View | CSV | PDB |
| LD523A | 3.8317 | -0.0102 | View | CSV | PDB |
| GR11A | 3.4216 | -0.0087 | View | CSV | PDB |
| LE523A | 3.4999 | -0.0078 | View | CSV | PDB |
| TE408A | 0.8425 | -0.0017 | View | CSV | PDB |
| WE58A | 6.5266 | -0.0084 | View | CSV | PDB |
| WR58A | 5.7907 | -0.0061 | View | CSV | PDB |
| YR40A | 1.1673 | -0.0012 | View | CSV | PDB |
| WE198A | 3.0369 | -0.0026 | View | CSV | PDB |
| YD40A | 3.3321 | -0.0027 | View | CSV | PDB |
| VE478A | 2.4008 | -0.0017 | View | CSV | PDB |
| VD478A | 3.5278 | -0.0024 | View | CSV | PDB |
| WD198A | 3.5838 | -0.0019 | View | CSV | PDB |
| ND505A | 4.1337 | -0.0012 | View | CSV | PDB |
| PR413A | 4.6673 | -0.0008 | View | CSV | PDB |
| NE505A | 1.4307 | -0.0002 | View | CSV | PDB |
| TK405A | -1.0357 | 0.0002 | View | CSV | PDB |
| TE405A | -0.8214 | 0.0007 | View | CSV | PDB |
| PE413A | -0.2289 | 0.0013 | 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