| Chain sequence(s) |
A: MVSTGEELFTGVVPFKFQLKGTINGKSFTVEGEGEGNSHEGSHKGKYVCTSGKLPMSWAALGTSFGYGMKYYTKYPSGLKNWFHEVMPEGFTYDRHIQYKGDGSIHAKHQHFMKNGTYHNIVEFTGQDFKENSPVLTGDMDVSLPNEVQHIPIDDGVECTVTLQYPLLSDESKCVEAYQNTIIKPLHNQPAPDVPFHWIRKQYTQSKDDTEERDHIIQSETLEAHLITLGMDELYKIGTGFPFDPHYVEVLGERMHYVDVGPRDGTPVLFLHGNPTSSYVWRNIIPHVAPTHRCIAPDLIGMGKSDKPDLGYFFDDHVRFMDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIAFMEFIRPIPTWDEWPEFARETFQAFRTTDVGRKLIIDQNVFIEGTLPMGVVRPLTEVEMDHYREPFLNPVDREPLWRFPNELPIAGEPANIVALVEEYMDWLHQSPVPKLLFWGTPGVLIPPAEAARLAKSLPNCKAVDIGPGLNLLQEDNPDLIGSEIARWL
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 (00:07:30)
[INFO] Auto_mut: Residue number 2 from chain A and a score of 2.061 (valine) selected for
automated muatation (00:07:34)
[INFO] Auto_mut: Residue number 1 from chain A and a score of 1.882 (methionine) selected
for automated muatation (00:07:34)
[INFO] Auto_mut: Residue number 227 from chain A and a score of 1.413 (isoleucine) selected
for automated muatation (00:07:34)
[INFO] Auto_mut: Residue number 229 from chain A and a score of 1.373 (leucine) selected for
automated muatation (00:07:34)
[INFO] Auto_mut: Residue number 411 from chain A and a score of 1.102 (valine) selected for
automated muatation (00:07:34)
[INFO] Auto_mut: Residue number 226 from chain A and a score of 1.028 (leucine) selected for
automated muatation (00:07:34)
[INFO] Auto_mut: Residue number 196 from chain A and a score of 0.964 (phenylalanine)
selected for automated muatation (00:07:34)
[INFO] Auto_mut: Residue number 151 from chain A and a score of 0.874 (isoleucine) selected
for automated muatation (00:07:34)
[INFO] Auto_mut: Residue number 430 from chain A and a score of 0.868 (valine) selected for
automated muatation (00:07:34)
[INFO] Auto_mut: Residue number 12 from chain A and a score of 0.812 (valine) selected for
automated muatation (00:07:34)
[INFO] Auto_mut: Residue number 228 from chain A and a score of 0.793 (threonine) selected
for automated muatation (00:07:34)
[INFO] Auto_mut: Residue number 313 from chain A and a score of 0.675 (phenylalanine)
selected for automated muatation (00:07:34)
[INFO] Auto_mut: Residue number 408 from chain A and a score of 0.645 (methionine) selected
for automated muatation (00:07:34)
[INFO] Auto_mut: Residue number 377 from chain A and a score of 0.439 (phenylalanine)
selected for automated muatation (00:07:34)
[INFO] Auto_mut: Residue number 504 from chain A and a score of 0.413 (leucine) selected for
automated muatation (00:07:34)
[INFO] Auto_mut: Residue number 3 from chain A and a score of 0.304 (serine) selected for
automated muatation (00:07:34)
[INFO] Auto_mut: Residue number 427 from chain A and a score of 0.199 (leucine) selected for
automated muatation (00:07:34)
[INFO] Auto_mut: Residue number 505 from chain A and a score of 0.189 (asparagine) selected
for automated muatation (00:07:34)
[INFO] Auto_mut: Residue number 168 from chain A and a score of 0.184 (leucine) selected for
automated muatation (00:07:35)
[INFO] Auto_mut: Residue number 230 from chain A and a score of 0.147 (glycine) selected for
automated muatation (00:07:35)
[INFO] Auto_mut: Residue number 231 from chain A and a score of 0.137 (methionine) selected
for automated muatation (00:07:35)
[INFO] Auto_mut: Residue number 478 from chain A and a score of 0.049 (valine) selected for
automated muatation (00:07:35)
[INFO] Auto_mut: Residue number 407 from chain A and a score of 0.034 (proline) selected for
automated muatation (00:07:35)
[INFO] Auto_mut: Residue number 144 from chain A and a score of 0.015 (leucine) selected for
automated muatation (00:07:35)
[INFO] Auto_mut: Residue number 523 from chain A and a score of 0.008 (leucine) selected for
automated muatation (00:07:35)
[INFO] Auto_mut: Residue number 225 from chain A and a score of 0.001 (histidine) selected
for automated muatation (00:07:35)
[INFO] Auto_mut: Residue number 58 from chain A and a score of -0.016 (tryptophan) selected
for automated muatation (00:07:35)
[INFO] Auto_mut: Residue number 234 from chain A and a score of -0.018 (leucine) selected
for automated muatation (00:07:35)
[INFO] Auto_mut: Residue number 11 from chain A and a score of -0.034 (glycine) selected for
automated muatation (00:07:35)
[INFO] Auto_mut: Residue number 235 from chain A and a score of -0.075 (tyrosine) selected
for automated muatation (00:07:35)
[INFO] Auto_mut: Mutating residue number 2 from chain A (valine) into glutamic acid (00:07:35)
[INFO] Auto_mut: Mutating residue number 226 from chain A (leucine) into glutamic acid (00:07:35)
[INFO] Auto_mut: Mutating residue number 227 from chain A (isoleucine) into aspartic acid (00:07:35)
[INFO] Auto_mut: Mutating residue number 2 from chain A (valine) into lysine (00:12:52)
[INFO] Auto_mut: Mutating residue number 226 from chain A (leucine) into lysine (00:13:21)
[INFO] Auto_mut: Mutating residue number 227 from chain A (isoleucine) into arginine (00:13:27)
[INFO] Auto_mut: Mutating residue number 2 from chain A (valine) into aspartic acid (00:19:58)
[INFO] Auto_mut: Mutating residue number 229 from chain A (leucine) into glutamic acid (00:20:06)
[INFO] Auto_mut: Mutating residue number 226 from chain A (leucine) into aspartic acid (00:20:26)
[INFO] Auto_mut: Mutating residue number 229 from chain A (leucine) into lysine (00:26:35)
[INFO] Auto_mut: Mutating residue number 226 from chain A (leucine) into arginine (00:26:38)
[INFO] Auto_mut: Mutating residue number 2 from chain A (valine) into arginine (00:26:38)
[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 (00:32:40)
[INFO] Auto_mut: Mutating residue number 229 from chain A (leucine) into aspartic acid (00:32:40)
[INFO] Auto_mut: Mutating residue number 1 from chain A (methionine) into glutamic acid (00:32:48)
[INFO] Auto_mut: Mutating residue number 196 from chain A (phenylalanine) into lysine (00:38:12)
[INFO] Auto_mut: Mutating residue number 1 from chain A (methionine) into lysine (00:38:23)
[INFO] Auto_mut: Mutating residue number 229 from chain A (leucine) into arginine (00:38:29)
[INFO] Auto_mut: Mutating residue number 411 from chain A (valine) into glutamic acid (00:43:52)
[INFO] Auto_mut: Mutating residue number 1 from chain A (methionine) into aspartic acid (00:44:10)
[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 (00:44:44)
[INFO] Auto_mut: Mutating residue number 411 from chain A (valine) into lysine (00:49:17)
[INFO] Auto_mut: Mutating residue number 1 from chain A (methionine) into arginine (00:49:45)
[INFO] Auto_mut: Mutating residue number 196 from chain A (phenylalanine) into arginine (00:50:30)
[INFO] Auto_mut: Mutating residue number 411 from chain A (valine) into aspartic acid (00:54:56)
[INFO] Auto_mut: Mutating residue number 227 from chain A (isoleucine) into glutamic acid (00:55:38)
[INFO] Auto_mut: Mutating residue number 151 from chain A (isoleucine) into glutamic acid (00:56:27)
[INFO] Auto_mut: Mutating residue number 411 from chain A (valine) into arginine (01:00:38)
[INFO] Auto_mut: Mutating residue number 227 from chain A (isoleucine) into lysine (01:01:32)
[INFO] Auto_mut: Mutating residue number 151 from chain A (isoleucine) into lysine (01:02:05)
[INFO] Auto_mut: Mutating residue number 151 from chain A (isoleucine) into aspartic acid (01:06:20)
[INFO] Auto_mut: Mutating residue number 228 from chain A (threonine) into glutamic acid (01:07:54)
[INFO] Auto_mut: Mutating residue number 408 from chain A (methionine) into aspartic acid (01:08:36)
[INFO] Auto_mut: Mutating residue number 151 from chain A (isoleucine) into arginine (01:12:21)
[INFO] Auto_mut: Mutating residue number 228 from chain A (threonine) into lysine (01:13:33)
[INFO] Auto_mut: Mutating residue number 408 from chain A (methionine) into arginine (01:13:59)
[INFO] Auto_mut: Mutating residue number 430 from chain A (valine) into glutamic acid (01:18:28)
[INFO] Auto_mut: Mutating residue number 228 from chain A (threonine) into aspartic acid (01:19:11)
[INFO] Auto_mut: Mutating residue number 377 from chain A (phenylalanine) into glutamic acid
Mutating residue number 377 from chain A (phenylalanine) into glutamic acid (01:19:36)
[INFO] Auto_mut: Mutating residue number 430 from chain A (valine) into lysine (01:24:14)
[INFO] Auto_mut: Mutating residue number 228 from chain A (threonine) into arginine (01:24:58)
[INFO] Auto_mut: Mutating residue number 377 from chain A (phenylalanine) into lysine (01:25:28)
[INFO] Auto_mut: Mutating residue number 430 from chain A (valine) into aspartic acid (01:30:25)
[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 (01:30:35)
[INFO] Auto_mut: Mutating residue number 377 from chain A (phenylalanine) into aspartic acid
Mutating residue number 377 from chain A (phenylalanine) into aspartic acid (01:31:16)
[INFO] Auto_mut: Mutating residue number 430 from chain A (valine) into arginine (01:36:05)
[INFO] Auto_mut: Mutating residue number 313 from chain A (phenylalanine) into lysine (01:36:36)
[INFO] Auto_mut: Mutating residue number 377 from chain A (phenylalanine) into arginine (01:36:46)
[INFO] Auto_mut: Mutating residue number 12 from chain A (valine) into glutamic acid (01:42:00)
[INFO] Auto_mut: Mutating residue number 504 from chain A (leucine) into glutamic acid (01:42:27)
[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 (01:43:06)
[INFO] Auto_mut: Mutating residue number 12 from chain A (valine) into lysine (01:47:41)
[INFO] Auto_mut: Mutating residue number 504 from chain A (leucine) into lysine (01:48:10)
[INFO] Auto_mut: Mutating residue number 313 from chain A (phenylalanine) into arginine (01:48:35)
[INFO] Auto_mut: Mutating residue number 12 from chain A (valine) into aspartic acid (01:53:52)
[INFO] Auto_mut: Mutating residue number 504 from chain A (leucine) into aspartic acid (01:54:33)
[INFO] Auto_mut: Mutating residue number 408 from chain A (methionine) into glutamic acid (01:55:08)
[INFO] Auto_mut: Mutating residue number 12 from chain A (valine) into arginine (01:59:35)
[INFO] Auto_mut: Mutating residue number 504 from chain A (leucine) into arginine (01:59:59)
[INFO] Auto_mut: Mutating residue number 408 from chain A (methionine) into lysine (02:00:52)
[INFO] Auto_mut: Mutating residue number 3 from chain A (serine) into glutamic acid (02:05:30)
[INFO] Auto_mut: Mutating residue number 505 from chain A (asparagine) into aspartic acid (02:05:50)
[INFO] Auto_mut: Mutating residue number 231 from chain A (methionine) into glutamic acid (02:06:57)
[INFO] Auto_mut: Mutating residue number 3 from chain A (serine) into lysine (02:11:05)
[INFO] Auto_mut: Mutating residue number 505 from chain A (asparagine) into arginine (02:11:27)
[INFO] Auto_mut: Mutating residue number 231 from chain A (methionine) into lysine (02:12:46)
[INFO] Auto_mut: Mutating residue number 3 from chain A (serine) into aspartic acid (02:16:44)
[INFO] Auto_mut: Mutating residue number 168 from chain A (leucine) into glutamic acid (02:17:35)
[INFO] Auto_mut: Mutating residue number 231 from chain A (methionine) into aspartic acid (02:19:03)
[INFO] Auto_mut: Mutating residue number 3 from chain A (serine) into arginine (02:22:23)
[INFO] Auto_mut: Mutating residue number 168 from chain A (leucine) into lysine (02:23:12)
[INFO] Auto_mut: Mutating residue number 231 from chain A (methionine) into arginine (02:24:45)
[INFO] Auto_mut: Mutating residue number 427 from chain A (leucine) into glutamic acid (02:27:40)
[INFO] Auto_mut: Mutating residue number 168 from chain A (leucine) into aspartic acid (02:28:54)
[INFO] Auto_mut: Mutating residue number 478 from chain A (valine) into glutamic acid (02:30:40)
[INFO] Auto_mut: Mutating residue number 427 from chain A (leucine) into lysine (02:33:33)
[INFO] Auto_mut: Mutating residue number 168 from chain A (leucine) into arginine (02:34:27)
[INFO] Auto_mut: Mutating residue number 478 from chain A (valine) into lysine (02:36:28)
[INFO] Auto_mut: Mutating residue number 427 from chain A (leucine) into aspartic acid (02:39:42)
[INFO] Auto_mut: Mutating residue number 230 from chain A (glycine) into glutamic acid (02:40:12)
[INFO] Auto_mut: Mutating residue number 478 from chain A (valine) into aspartic acid (02:43:02)
[INFO] Auto_mut: Mutating residue number 427 from chain A (leucine) into arginine (02:45:35)
[INFO] Auto_mut: Mutating residue number 230 from chain A (glycine) into lysine (02:45:44)
[INFO] Auto_mut: Mutating residue number 478 from chain A (valine) into arginine (02:48:55)
[INFO] Auto_mut: Mutating residue number 505 from chain A (asparagine) into glutamic acid (02:51:22)
[INFO] Auto_mut: Mutating residue number 230 from chain A (glycine) into aspartic acid (02:51:30)
[INFO] Auto_mut: Mutating residue number 407 from chain A (proline) into glutamic acid (02:54:36)
[INFO] Auto_mut: Mutating residue number 230 from chain A (glycine) into arginine (02:57:06)
[INFO] Auto_mut: Mutating residue number 505 from chain A (asparagine) into lysine (02:57:20)
[INFO] Auto_mut: Mutating residue number 407 from chain A (proline) into lysine (03:00:01)
[INFO] Auto_mut: Mutating residue number 407 from chain A (proline) into aspartic acid (03:02:47)
[INFO] Auto_mut: Mutating residue number 225 from chain A (histidine) into glutamic acid (03:04:13)
[INFO] Auto_mut: Mutating residue number 234 from chain A (leucine) into aspartic acid (03:05:52)
[INFO] Auto_mut: Mutating residue number 407 from chain A (proline) into arginine (03:08:30)
[INFO] Auto_mut: Mutating residue number 225 from chain A (histidine) into lysine (03:10:36)
[INFO] Auto_mut: Mutating residue number 234 from chain A (leucine) into arginine (03:11:16)
[INFO] Auto_mut: Mutating residue number 144 from chain A (leucine) into glutamic acid (03:14:29)
[INFO] Auto_mut: Mutating residue number 11 from chain A (glycine) into glutamic acid (03:17:08)
[INFO] Auto_mut: Mutating residue number 225 from chain A (histidine) into aspartic acid (03:17:41)
[INFO] Auto_mut: Mutating residue number 144 from chain A (leucine) into lysine (03:20:03)
[INFO] Auto_mut: Mutating residue number 11 from chain A (glycine) into lysine (03:22:48)
[INFO] Auto_mut: Mutating residue number 225 from chain A (histidine) into arginine (03:23:36)
[INFO] Auto_mut: Mutating residue number 144 from chain A (leucine) into aspartic acid (03:26:34)
[INFO] Auto_mut: Mutating residue number 11 from chain A (glycine) into aspartic acid (03:28:44)
[INFO] Auto_mut: Mutating residue number 58 from chain A (tryptophan) into glutamic acid (03:30:01)
[INFO] Auto_mut: Mutating residue number 144 from chain A (leucine) into arginine (03:32:10)
[INFO] Auto_mut: Mutating residue number 11 from chain A (glycine) into arginine (03:34:09)
[INFO] Auto_mut: Mutating residue number 58 from chain A (tryptophan) into lysine (03:36:00)
[INFO] Auto_mut: Mutating residue number 523 from chain A (leucine) into glutamic acid (03:38:27)
[INFO] Auto_mut: Mutating residue number 235 from chain A (tyrosine) into glutamic acid (03:39:52)
[INFO] Auto_mut: Mutating residue number 58 from chain A (tryptophan) into aspartic acid (03:42:33)
[INFO] Auto_mut: Mutating residue number 523 from chain A (leucine) into lysine (03:44:10)
[INFO] Auto_mut: Mutating residue number 235 from chain A (tyrosine) into lysine (03:45:36)
[INFO] Auto_mut: Mutating residue number 58 from chain A (tryptophan) into arginine (03:48:28)
[INFO] Auto_mut: Mutating residue number 523 from chain A (leucine) into aspartic acid (03:50:13)
[INFO] Auto_mut: Mutating residue number 235 from chain A (tyrosine) into aspartic acid (03:52:12)
[INFO] Auto_mut: Mutating residue number 234 from chain A (leucine) into glutamic acid (03:54:38)
[INFO] Auto_mut: Mutating residue number 523 from chain A (leucine) into arginine (03:55:50)
[INFO] Auto_mut: Mutating residue number 235 from chain A (tyrosine) into arginine (03:57:41)
[INFO] Auto_mut: Mutating residue number 234 from chain A (leucine) into lysine (04:00:04)
[INFO] Auto_mut: Effect of mutation residue number 2 from chain A (valine) into glutamic
acid: Energy difference: -0.5277 kcal/mol, Difference in average score from
the base case: -0.0149 (04:05:35)
[INFO] Auto_mut: Effect of mutation residue number 2 from chain A (valine) into lysine:
Energy difference: -0.3017 kcal/mol, Difference in average score from the
base case: -0.0154 (04:05:35)
[INFO] Auto_mut: Effect of mutation residue number 2 from chain A (valine) into aspartic
acid: Energy difference: 0.1040 kcal/mol, Difference in average score from
the base case: -0.0134 (04:05:35)
[INFO] Auto_mut: Effect of mutation residue number 2 from chain A (valine) into arginine:
Energy difference: -0.6301 kcal/mol, Difference in average score from the
base case: -0.0119 (04:05:35)
[INFO] Auto_mut: Effect of mutation residue number 1 from chain A (methionine) into glutamic
acid: Energy difference: -0.1727 kcal/mol, Difference in average score from
the base case: -0.0042 (04:05:35)
[INFO] Auto_mut: Effect of mutation residue number 1 from chain A (methionine) into lysine:
Energy difference: -0.1669 kcal/mol, Difference in average score from the
base case: -0.0085 (04:05:35)
[INFO] Auto_mut: Effect of mutation residue number 1 from chain A (methionine) into aspartic
acid: Energy difference: -0.3148 kcal/mol, Difference in average score from
the base case: -0.0069 (04:05:35)
[INFO] Auto_mut: Effect of mutation residue number 1 from chain A (methionine) into
arginine: Energy difference: -1.5161 kcal/mol, Difference in average score
from the base case: -0.0009 (04:05:35)
[INFO] Auto_mut: Effect of mutation residue number 227 from chain A (isoleucine) into
glutamic acid: Energy difference: -1.1277 kcal/mol, Difference in average
score from the base case: -0.0148 (04:05:35)
[INFO] Auto_mut: Effect of mutation residue number 227 from chain A (isoleucine) into
lysine: Energy difference: -0.2949 kcal/mol, Difference in average score
from the base case: -0.0150 (04:05:35)
[INFO] Auto_mut: Effect of mutation residue number 227 from chain A (isoleucine) into
aspartic acid: Energy difference: -0.7775 kcal/mol, Difference in average
score from the base case: -0.0115 (04:05:35)
[INFO] Auto_mut: Effect of mutation residue number 227 from chain A (isoleucine) into
arginine: Energy difference: -1.4519 kcal/mol, Difference in average score
from the base case: -0.0185 (04:05:35)
[INFO] Auto_mut: Effect of mutation residue number 229 from chain A (leucine) into glutamic
acid: Energy difference: 0.0991 kcal/mol, Difference in average score from
the base case: -0.0210 (04:05:35)
[INFO] Auto_mut: Effect of mutation residue number 229 from chain A (leucine) into lysine:
Energy difference: -0.2836 kcal/mol, Difference in average score from the
base case: -0.0181 (04:05:35)
[INFO] Auto_mut: Effect of mutation residue number 229 from chain A (leucine) into aspartic
acid: Energy difference: -0.0670 kcal/mol, Difference in average score from
the base case: -0.0185 (04:05:35)
[INFO] Auto_mut: Effect of mutation residue number 229 from chain A (leucine) into arginine:
Energy difference: -0.9674 kcal/mol, Difference in average score from the
base case: -0.0189 (04:05:35)
[INFO] Auto_mut: Effect of mutation residue number 411 from chain A (valine) into glutamic
acid: Energy difference: 1.0138 kcal/mol, Difference in average score from
the base case: -0.0180 (04:05:35)
[INFO] Auto_mut: Effect of mutation residue number 411 from chain A (valine) into lysine:
Energy difference: -0.3843 kcal/mol, Difference in average score from the
base case: -0.0132 (04:05:35)
[INFO] Auto_mut: Effect of mutation residue number 411 from chain A (valine) into aspartic
acid: Energy difference: 1.8228 kcal/mol, Difference in average score from
the base case: -0.0171 (04:05:35)
[INFO] Auto_mut: Effect of mutation residue number 411 from chain A (valine) into arginine:
Energy difference: -0.3319 kcal/mol, Difference in average score from the
base case: -0.0150 (04:05:35)
[INFO] Auto_mut: Effect of mutation residue number 226 from chain A (leucine) into glutamic
acid: Energy difference: 1.6210 kcal/mol, Difference in average score from
the base case: -0.0048 (04:05:35)
[INFO] Auto_mut: Effect of mutation residue number 226 from chain A (leucine) into lysine:
Energy difference: 0.7906 kcal/mol, Difference in average score from the
base case: -0.0016 (04:05:35)
[INFO] Auto_mut: Effect of mutation residue number 226 from chain A (leucine) into aspartic
acid: Energy difference: 1.5200 kcal/mol, Difference in average score from
the base case: -0.0046 (04:05:35)
[INFO] Auto_mut: Effect of mutation residue number 226 from chain A (leucine) into arginine:
Energy difference: -0.1897 kcal/mol, Difference in average score from the
base case: -0.0047 (04:05:35)
[INFO] Auto_mut: Effect of mutation residue number 196 from chain A (phenylalanine) into
glutamic acid: Energy difference: 0.8151 kcal/mol, Difference in average
score from the base case: -0.0147 (04:05:35)
[INFO] Auto_mut: Effect of mutation residue number 196 from chain A (phenylalanine) into
lysine: Energy difference: 1.1567 kcal/mol, Difference in average score
from the base case: -0.0170 (04:05:35)
[INFO] Auto_mut: Effect of mutation residue number 196 from chain A (phenylalanine) into
aspartic acid: Energy difference: 1.5786 kcal/mol, Difference in average
score from the base case: -0.0153 (04:05:35)
[INFO] Auto_mut: Effect of mutation residue number 196 from chain A (phenylalanine) into
arginine: Energy difference: 1.2510 kcal/mol, Difference in average score
from the base case: -0.0183 (04:05:35)
[INFO] Auto_mut: Effect of mutation residue number 151 from chain A (isoleucine) into
glutamic acid: Energy difference: 1.9919 kcal/mol, Difference in average
score from the base case: -0.0074 (04:05:35)
[INFO] Auto_mut: Effect of mutation residue number 151 from chain A (isoleucine) into
lysine: Energy difference: 0.9059 kcal/mol, Difference in average score
from the base case: -0.0044 (04:05:35)
[INFO] Auto_mut: Effect of mutation residue number 151 from chain A (isoleucine) into
aspartic acid: Energy difference: 2.0954 kcal/mol, Difference in average
score from the base case: -0.0099 (04:05:35)
[INFO] Auto_mut: Effect of mutation residue number 151 from chain A (isoleucine) into
arginine: Energy difference: 0.1181 kcal/mol, Difference in average score
from the base case: -0.0111 (04:05:35)
[INFO] Auto_mut: Effect of mutation residue number 430 from chain A (valine) into glutamic
acid: Energy difference: -0.2773 kcal/mol, Difference in average score from
the base case: -0.0188 (04:05:35)
[INFO] Auto_mut: Effect of mutation residue number 430 from chain A (valine) into lysine:
Energy difference: -0.6580 kcal/mol, Difference in average score from the
base case: -0.0123 (04:05:35)
[INFO] Auto_mut: Effect of mutation residue number 430 from chain A (valine) into aspartic
acid: Energy difference: 0.1910 kcal/mol, Difference in average score from
the base case: -0.0187 (04:05:35)
[INFO] Auto_mut: Effect of mutation residue number 430 from chain A (valine) into arginine:
Energy difference: -0.6591 kcal/mol, Difference in average score from the
base case: -0.0121 (04:05:35)
[INFO] Auto_mut: Effect of mutation residue number 12 from chain A (valine) into glutamic
acid: Energy difference: 0.4334 kcal/mol, Difference in average score from
the base case: -0.0174 (04:05:35)
[INFO] Auto_mut: Effect of mutation residue number 12 from chain A (valine) into lysine:
Energy difference: -0.4839 kcal/mol, Difference in average score from the
base case: -0.0139 (04:05:35)
[INFO] Auto_mut: Effect of mutation residue number 12 from chain A (valine) into aspartic
acid: Energy difference: 0.8565 kcal/mol, Difference in average score from
the base case: -0.0157 (04:05:35)
[INFO] Auto_mut: Effect of mutation residue number 12 from chain A (valine) into arginine:
Energy difference: -0.2889 kcal/mol, Difference in average score from the
base case: -0.0129 (04:05:35)
[INFO] Auto_mut: Effect of mutation residue number 228 from chain A (threonine) into
glutamic acid: Energy difference: 0.6167 kcal/mol, Difference in average
score from the base case: -0.0053 (04:05:35)
[INFO] Auto_mut: Effect of mutation residue number 228 from chain A (threonine) into lysine:
Energy difference: -0.2549 kcal/mol, Difference in average score from the
base case: -0.0005 (04:05:35)
[INFO] Auto_mut: Effect of mutation residue number 228 from chain A (threonine) into
aspartic acid: Energy difference: 0.5355 kcal/mol, Difference in average
score from the base case: -0.0080 (04:05:35)
[INFO] Auto_mut: Effect of mutation residue number 228 from chain A (threonine) into
arginine: Energy difference: 0.1626 kcal/mol, Difference in average score
from the base case: -0.0076 (04:05:35)
[INFO] Auto_mut: Effect of mutation residue number 313 from chain A (phenylalanine) into
glutamic acid: Energy difference: 1.4229 kcal/mol, Difference in average
score from the base case: -0.0115 (04:05:35)
[INFO] Auto_mut: Effect of mutation residue number 313 from chain A (phenylalanine) into
lysine: Energy difference: 0.7903 kcal/mol, Difference in average score
from the base case: -0.0096 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 313 from chain A (phenylalanine) into
aspartic acid: Energy difference: 1.9250 kcal/mol, Difference in average
score from the base case: -0.0120 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 313 from chain A (phenylalanine) into
arginine: Energy difference: 0.0417 kcal/mol, Difference in average score
from the base case: -0.0123 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 408 from chain A (methionine) into
glutamic acid: Energy difference: 0.0954 kcal/mol, Difference in average
score from the base case: -0.0098 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 408 from chain A (methionine) into
lysine: Energy difference: -0.2881 kcal/mol, Difference in average score
from the base case: -0.0083 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 408 from chain A (methionine) into
aspartic acid: Energy difference: 0.3479 kcal/mol, Difference in average
score from the base case: -0.0096 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 408 from chain A (methionine) into
arginine: Energy difference: -0.5984 kcal/mol, Difference in average score
from the base case: -0.0090 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 377 from chain A (phenylalanine) into
glutamic acid: Energy difference: 2.0829 kcal/mol, Difference in average
score from the base case: -0.0123 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 377 from chain A (phenylalanine) into
lysine: Energy difference: 1.5354 kcal/mol, Difference in average score
from the base case: -0.0130 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 377 from chain A (phenylalanine) into
aspartic acid: Energy difference: 2.4724 kcal/mol, Difference in average
score from the base case: -0.0121 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 377 from chain A (phenylalanine) into
arginine: Energy difference: 0.9539 kcal/mol, Difference in average score
from the base case: -0.0106 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 504 from chain A (leucine) into glutamic
acid: Energy difference: 3.6145 kcal/mol, Difference in average score from
the base case: -0.0002 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 504 from chain A (leucine) into lysine:
Energy difference: 0.7499 kcal/mol, Difference in average score from the
base case: -0.0011 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 504 from chain A (leucine) into aspartic
acid: Energy difference: 4.3400 kcal/mol, Difference in average score from
the base case: 0.0020 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 504 from chain A (leucine) into arginine:
Energy difference: -0.8461 kcal/mol, Difference in average score from the
base case: -0.0040 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 3 from chain A (serine) into glutamic
acid: Energy difference: -0.3534 kcal/mol, Difference in average score from
the base case: -0.0049 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 3 from chain A (serine) into lysine:
Energy difference: -0.3854 kcal/mol, Difference in average score from the
base case: 0.0020 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 3 from chain A (serine) into aspartic
acid: Energy difference: 0.1952 kcal/mol, Difference in average score from
the base case: -0.0035 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 3 from chain A (serine) into arginine:
Energy difference: -0.5370 kcal/mol, Difference in average score from the
base case: -0.0053 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 427 from chain A (leucine) into glutamic
acid: Energy difference: 0.4021 kcal/mol, Difference in average score from
the base case: -0.0178 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 427 from chain A (leucine) into lysine:
Energy difference: 0.0827 kcal/mol, Difference in average score from the
base case: -0.0168 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 427 from chain A (leucine) into aspartic
acid: Energy difference: 0.8052 kcal/mol, Difference in average score from
the base case: -0.0182 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 427 from chain A (leucine) into arginine:
Energy difference: -1.0445 kcal/mol, Difference in average score from the
base case: -0.0150 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 505 from chain A (asparagine) into
glutamic acid: Energy difference: 1.5275 kcal/mol, Difference in average
score from the base case: 0.0027 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 505 from chain A (asparagine) into
lysine: Energy difference: -1.8538 kcal/mol, Difference in average score
from the base case: 0.0039 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 505 from chain A (asparagine) into
aspartic acid: Energy difference: 4.2705 kcal/mol, Difference in average
score from the base case: 0.0030 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 505 from chain A (asparagine) into
arginine: Energy difference: -3.0322 kcal/mol, Difference in average score
from the base case: 0.0039 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 168 from chain A (leucine) into glutamic
acid: Energy difference: 1.0925 kcal/mol, Difference in average score from
the base case: -0.0229 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 168 from chain A (leucine) into lysine:
Energy difference: -0.5339 kcal/mol, Difference in average score from the
base case: -0.0240 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 168 from chain A (leucine) into aspartic
acid: Energy difference: 1.2915 kcal/mol, Difference in average score from
the base case: -0.0305 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 168 from chain A (leucine) into arginine:
Energy difference: -0.4117 kcal/mol, Difference in average score from the
base case: -0.0277 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 230 from chain A (glycine) into glutamic
acid: Energy difference: 2.2762 kcal/mol, Difference in average score from
the base case: -0.0053 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 230 from chain A (glycine) into lysine:
Energy difference: 1.7483 kcal/mol, Difference in average score from the
base case: -0.0042 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 230 from chain A (glycine) into aspartic
acid: Energy difference: 2.3025 kcal/mol, Difference in average score from
the base case: -0.0049 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 230 from chain A (glycine) into arginine:
Energy difference: 1.7264 kcal/mol, Difference in average score from the
base case: -0.0049 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 231 from chain A (methionine) into
glutamic acid: Energy difference: 0.7222 kcal/mol, Difference in average
score from the base case: -0.0042 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 231 from chain A (methionine) into
lysine: Energy difference: -0.4974 kcal/mol, Difference in average score
from the base case: -0.0059 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 231 from chain A (methionine) into
aspartic acid: Energy difference: 1.2181 kcal/mol, Difference in average
score from the base case: -0.0010 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 231 from chain A (methionine) into
arginine: Energy difference: -0.4043 kcal/mol, Difference in average score
from the base case: -0.0091 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 478 from chain A (valine) into glutamic
acid: Energy difference: 2.3892 kcal/mol, Difference in average score from
the base case: 0.0008 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 478 from chain A (valine) into lysine:
Energy difference: 1.1557 kcal/mol, Difference in average score from the
base case: 0.0017 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 478 from chain A (valine) into aspartic
acid: Energy difference: 3.1842 kcal/mol, Difference in average score from
the base case: 0.0042 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 478 from chain A (valine) into arginine:
Energy difference: 1.0502 kcal/mol, Difference in average score from the
base case: 0.0022 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 407 from chain A (proline) into glutamic
acid: Energy difference: 2.2430 kcal/mol, Difference in average score from
the base case: -0.0011 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 407 from chain A (proline) into lysine:
Energy difference: 1.5704 kcal/mol, Difference in average score from the
base case: -0.0046 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 407 from chain A (proline) into aspartic
acid: Energy difference: 2.7845 kcal/mol, Difference in average score from
the base case: -0.0022 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 407 from chain A (proline) into arginine:
Energy difference: 0.8061 kcal/mol, Difference in average score from the
base case: -0.0041 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 144 from chain A (leucine) into glutamic
acid: Energy difference: 1.2017 kcal/mol, Difference in average score from
the base case: -0.0029 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 144 from chain A (leucine) into lysine:
Energy difference: 0.2482 kcal/mol, Difference in average score from the
base case: -0.0032 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 144 from chain A (leucine) into aspartic
acid: Energy difference: 1.7317 kcal/mol, Difference in average score from
the base case: -0.0008 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 144 from chain A (leucine) into arginine:
Energy difference: -0.6331 kcal/mol, Difference in average score from the
base case: -0.0029 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 523 from chain A (leucine) into glutamic
acid: Energy difference: 3.6152 kcal/mol, Difference in average score from
the base case: -0.0053 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 523 from chain A (leucine) into lysine:
Energy difference: 5.3848 kcal/mol, Difference in average score from the
base case: -0.0028 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 523 from chain A (leucine) into aspartic
acid: Energy difference: 3.5846 kcal/mol, Difference in average score from
the base case: -0.0093 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 523 from chain A (leucine) into arginine:
Energy difference: 3.2780 kcal/mol, Difference in average score from the
base case: -0.0001 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 225 from chain A (histidine) into
glutamic acid: Energy difference: 0.5410 kcal/mol, Difference in average
score from the base case: 0.0036 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 225 from chain A (histidine) into lysine:
Energy difference: -0.3644 kcal/mol, Difference in average score from the
base case: 0.0039 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 225 from chain A (histidine) into
aspartic acid: Energy difference: 1.1193 kcal/mol, Difference in average
score from the base case: -0.0002 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 225 from chain A (histidine) into
arginine: Energy difference: -0.9497 kcal/mol, Difference in average score
from the base case: 0.0046 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 58 from chain A (tryptophan) into
glutamic acid: Energy difference: 6.0366 kcal/mol, Difference in average
score from the base case: -0.0101 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 58 from chain A (tryptophan) into lysine:
Energy difference: 5.0381 kcal/mol, Difference in average score from the
base case: -0.0061 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 58 from chain A (tryptophan) into
aspartic acid: Energy difference: 6.9319 kcal/mol, Difference in average
score from the base case: -0.0045 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 58 from chain A (tryptophan) into
arginine: Energy difference: 4.7346 kcal/mol, Difference in average score
from the base case: -0.0024 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 234 from chain A (leucine) into glutamic
acid: Energy difference: 1.2076 kcal/mol, Difference in average score from
the base case: -0.0178 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 234 from chain A (leucine) into lysine:
Energy difference: 0.6387 kcal/mol, Difference in average score from the
base case: -0.0170 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 234 from chain A (leucine) into aspartic
acid: Energy difference: 1.5923 kcal/mol, Difference in average score from
the base case: -0.0175 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 234 from chain A (leucine) into arginine:
Energy difference: 0.5712 kcal/mol, Difference in average score from the
base case: -0.0180 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 11 from chain A (glycine) into glutamic
acid: Energy difference: 3.5800 kcal/mol, Difference in average score from
the base case: -0.0086 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 11 from chain A (glycine) into lysine:
Energy difference: 3.8147 kcal/mol, Difference in average score from the
base case: -0.0061 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 11 from chain A (glycine) into aspartic
acid: Energy difference: 3.0338 kcal/mol, Difference in average score from
the base case: -0.0073 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 11 from chain A (glycine) into arginine:
Energy difference: 3.6826 kcal/mol, Difference in average score from the
base case: -0.0095 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 235 from chain A (tyrosine) into glutamic
acid: Energy difference: 1.8090 kcal/mol, Difference in average score from
the base case: -0.0189 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 235 from chain A (tyrosine) into lysine:
Energy difference: 0.8187 kcal/mol, Difference in average score from the
base case: -0.0222 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 235 from chain A (tyrosine) into aspartic
acid: Energy difference: 2.1223 kcal/mol, Difference in average score from
the base case: -0.0152 (04:05:36)
[INFO] Auto_mut: Effect of mutation residue number 235 from chain A (tyrosine) into
arginine: Energy difference: 0.5646 kcal/mol, Difference in average score
from the base case: -0.0226 (04:05:36)
[INFO] Main: Simulation completed successfully. (04:06:37)
|
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 | 1.8824 | |
| 2 | V | A | 2.0607 | |
| 3 | S | A | 0.3044 | |
| 4 | T | A | -0.7659 | |
| 5 | G | A | -2.0761 | |
| 6 | E | A | -3.1255 | |
| 7 | E | A | -2.5672 | |
| 8 | L | A | -1.2634 | |
| 9 | F | A | 0.0000 | |
| 10 | T | A | -0.7716 | |
| 11 | G | A | -0.0339 | |
| 12 | V | A | 0.8116 | |
| 13 | V | A | 0.0000 | |
| 14 | P | A | -1.2236 | |
| 15 | F | A | 0.0000 | |
| 16 | K | A | -2.0845 | |
| 17 | F | A | 0.0000 | |
| 18 | Q | A | -1.8809 | |
| 19 | L | A | 0.0000 | |
| 20 | K | A | -2.5980 | |
| 21 | G | A | -1.8770 | |
| 22 | T | A | -1.7969 | |
| 23 | I | A | 0.0000 | |
| 24 | N | A | -2.9351 | |
| 25 | G | A | -2.1148 | |
| 26 | K | A | -2.2675 | |
| 27 | S | A | -1.5699 | |
| 28 | F | A | 0.0000 | |
| 29 | T | A | -1.6166 | |
| 30 | V | A | 0.0000 | |
| 31 | E | A | -2.2836 | |
| 32 | G | A | 0.0000 | |
| 33 | E | A | -3.2303 | |
| 34 | G | A | -2.5945 | |
| 35 | E | A | -2.3674 | |
| 36 | G | A | 0.0000 | |
| 37 | N | A | -1.1243 | |
| 38 | S | A | 0.0000 | |
| 39 | H | A | -2.0955 | |
| 40 | E | A | -2.5246 | |
| 41 | G | A | 0.0000 | |
| 42 | S | A | -1.6558 | |
| 43 | H | A | 0.0000 | |
| 44 | K | A | -2.4806 | |
| 45 | G | A | 0.0000 | |
| 46 | K | A | -2.2760 | |
| 47 | Y | A | 0.0000 | |
| 48 | V | A | 0.0000 | |
| 49 | C | A | 0.0000 | |
| 50 | T | A | -1.1141 | |
| 51 | S | A | -1.3298 | |
| 52 | G | A | -1.6871 | |
| 53 | K | A | -2.2760 | |
| 54 | L | A | 0.0000 | |
| 55 | P | A | -0.9905 | |
| 56 | M | A | 0.0000 | |
| 57 | S | A | 0.0000 | |
| 58 | W | A | -0.0159 | |
| 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 | K | A | -2.1512 | |
| 75 | Y | A | -1.3487 | |
| 76 | P | A | -0.7456 | |
| 77 | S | A | -0.8184 | |
| 78 | G | A | -0.9538 | |
| 79 | L | A | 0.0000 | |
| 80 | K | A | -2.5224 | |
| 81 | N | A | -1.8678 | |
| 82 | W | A | 0.0000 | |
| 83 | F | A | 0.0000 | |
| 84 | H | A | 0.0000 | |
| 85 | E | A | -2.4132 | |
| 86 | V | A | 0.0000 | |
| 87 | M | A | 0.0000 | |
| 88 | P | A | -0.8781 | |
| 89 | E | A | -1.5708 | |
| 90 | G | A | 0.0000 | |
| 91 | F | A | 0.0000 | |
| 92 | T | A | -0.6727 | |
| 93 | Y | A | 0.0000 | |
| 94 | D | A | -1.5970 | |
| 95 | R | A | 0.0000 | |
| 96 | H | A | -1.3253 | |
| 97 | I | A | 0.0000 | |
| 98 | Q | A | -1.2653 | |
| 99 | Y | A | 0.0000 | |
| 100 | K | A | -2.2344 | |
| 101 | G | A | -1.7980 | |
| 102 | D | A | -2.4910 | |
| 103 | G | A | 0.0000 | |
| 104 | S | A | -1.5223 | |
| 105 | I | A | 0.0000 | |
| 106 | H | A | -1.6721 | |
| 107 | A | A | 0.0000 | |
| 108 | K | A | -2.1115 | |
| 109 | H | A | 0.0000 | |
| 110 | Q | A | -1.2191 | |
| 111 | H | A | 0.0000 | |
| 112 | F | A | -0.5166 | |
| 113 | M | A | 0.0000 | |
| 114 | K | A | -2.4066 | |
| 115 | N | A | -2.2453 | |
| 116 | G | A | -1.5428 | |
| 117 | T | A | -1.4799 | |
| 118 | Y | A | 0.0000 | |
| 119 | H | A | -0.9973 | |
| 120 | N | A | 0.0000 | |
| 121 | I | A | -1.0334 | |
| 122 | V | A | 0.0000 | |
| 123 | E | A | -2.9560 | |
| 124 | F | A | 0.0000 | |
| 125 | T | A | -1.7128 | |
| 126 | G | A | 0.0000 | |
| 127 | Q | A | -2.8422 | |
| 128 | D | A | -3.2969 | |
| 129 | F | A | 0.0000 | |
| 130 | K | A | -3.7726 | |
| 131 | E | A | -3.5633 | |
| 132 | N | A | -2.7623 | |
| 133 | S | A | 0.0000 | |
| 134 | P | A | -0.8788 | |
| 135 | V | A | 0.0000 | |
| 136 | L | A | -0.9226 | |
| 137 | T | A | -0.9618 | |
| 138 | G | A | -0.3792 | |
| 139 | D | A | -0.4609 | |
| 140 | M | A | 0.0000 | |
| 141 | D | A | -0.7969 | |
| 142 | V | A | -0.2329 | |
| 143 | S | A | 0.0000 | |
| 144 | L | A | 0.0148 | |
| 145 | P | A | -0.9407 | |
| 146 | N | A | -1.1729 | |
| 147 | E | A | -1.6175 | |
| 148 | V | A | 0.0000 | |
| 149 | Q | A | -0.3589 | |
| 150 | H | A | 0.0000 | |
| 151 | I | A | 0.8743 | |
| 152 | P | A | -0.4460 | |
| 153 | I | A | -0.8473 | |
| 154 | D | A | -2.6991 | |
| 155 | D | A | -3.0677 | |
| 156 | G | A | 0.0000 | |
| 157 | V | A | 0.0000 | |
| 158 | E | A | -0.4037 | |
| 159 | C | A | 0.0000 | |
| 160 | T | A | -0.1450 | |
| 161 | V | A | 0.0000 | |
| 162 | T | A | -0.1941 | |
| 163 | L | A | 0.0000 | |
| 164 | Q | A | -0.7638 | |
| 165 | Y | A | 0.0000 | |
| 166 | P | A | -1.0760 | |
| 167 | L | A | -0.8211 | |
| 168 | L | A | 0.1838 | |
| 169 | S | A | -0.6163 | |
| 170 | D | A | -1.6107 | |
| 171 | E | A | -2.4016 | |
| 172 | S | A | -1.8465 | |
| 173 | K | A | -2.3037 | |
| 174 | C | A | -1.1287 | |
| 175 | V | A | -1.1376 | |
| 176 | E | A | -1.5868 | |
| 177 | A | A | 0.0000 | |
| 178 | Y | A | -0.2038 | |
| 179 | Q | A | 0.0000 | |
| 180 | N | A | -0.5858 | |
| 181 | T | A | 0.0000 | |
| 182 | I | A | -0.3689 | |
| 183 | I | A | 0.0000 | |
| 184 | K | A | -1.6937 | |
| 185 | P | A | -1.5871 | |
| 186 | L | A | -1.2649 | |
| 187 | H | A | -1.8934 | |
| 188 | N | A | -2.1860 | |
| 189 | Q | A | -1.6807 | |
| 190 | P | A | -1.6941 | |
| 191 | A | A | -1.9119 | |
| 192 | P | A | -2.0593 | |
| 193 | D | A | -2.5260 | |
| 194 | V | A | 0.0000 | |
| 195 | P | A | -0.2264 | |
| 196 | F | A | 0.9636 | |
| 197 | H | A | 0.0000 | |
| 198 | W | A | -0.1392 | |
| 199 | I | A | 0.0000 | |
| 200 | R | A | -2.5640 | |
| 201 | K | A | 0.0000 | |
| 202 | Q | A | -1.7188 | |
| 203 | Y | A | 0.0000 | |
| 204 | T | A | -0.6364 | |
| 205 | Q | A | -0.9062 | |
| 206 | S | A | -1.3945 | |
| 207 | K | A | -2.5443 | |
| 208 | D | A | -2.6243 | |
| 209 | D | A | -2.8568 | |
| 210 | T | A | -2.0139 | |
| 211 | E | A | -2.6504 | |
| 212 | E | A | -3.0943 | |
| 213 | R | A | -2.9738 | |
| 214 | D | A | -2.2695 | |
| 215 | H | A | 0.0000 | |
| 216 | I | A | 0.0000 | |
| 217 | I | A | -1.1910 | |
| 218 | Q | A | 0.0000 | |
| 219 | S | A | -1.2448 | |
| 220 | E | A | 0.0000 | |
| 221 | T | A | -1.5733 | |
| 222 | L | A | 0.0000 | |
| 223 | E | A | -2.3022 | |
| 224 | A | A | 0.0000 | |
| 225 | H | A | 0.0012 | |
| 226 | L | A | 1.0276 | |
| 227 | I | A | 1.4134 | |
| 228 | T | A | 0.7929 | |
| 229 | L | A | 1.3731 | |
| 230 | G | A | 0.1471 | |
| 231 | M | A | 0.1371 | |
| 232 | D | A | -1.2539 | |
| 233 | E | A | -1.8823 | |
| 234 | L | A | -0.0182 | |
| 235 | Y | A | -0.0752 | |
| 236 | K | A | -1.6958 | |
| 237 | I | A | -0.7011 | |
| 238 | G | A | -0.6545 | |
| 239 | T | A | -0.5085 | |
| 240 | G | A | -0.1929 | |
| 241 | F | A | -0.3226 | |
| 242 | P | A | -0.6022 | |
| 243 | F | A | -0.7692 | |
| 244 | D | A | -1.8253 | |
| 245 | P | A | -1.2067 | |
| 246 | H | A | -0.7468 | |
| 247 | Y | A | -0.6125 | |
| 248 | V | A | -0.9800 | |
| 249 | E | A | -2.2969 | |
| 250 | V | A | 0.0000 | |
| 251 | L | A | -0.4874 | |
| 252 | G | A | -1.1402 | |
| 253 | E | A | -1.8287 | |
| 254 | R | A | -2.4662 | |
| 255 | M | A | 0.0000 | |
| 256 | H | A | 0.0000 | |
| 257 | Y | A | 0.0000 | |
| 258 | V | A | 0.0000 | |
| 259 | D | A | 0.0000 | |
| 260 | V | A | -0.5019 | |
| 261 | G | A | -1.0329 | |
| 262 | P | A | -1.7696 | |
| 263 | R | A | -2.8670 | |
| 264 | D | A | -2.8432 | |
| 265 | G | A | -1.7677 | |
| 266 | T | A | -1.4939 | |
| 267 | P | A | -1.4617 | |
| 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 | -0.3702 | |
| 284 | I | A | 0.0000 | |
| 285 | I | A | 0.0000 | |
| 286 | P | A | -0.4775 | |
| 287 | H | A | -0.7595 | |
| 288 | V | A | 0.0000 | |
| 289 | A | A | -0.4119 | |
| 290 | P | A | -0.4918 | |
| 291 | T | A | -0.7124 | |
| 292 | H | A | -0.9268 | |
| 293 | R | A | -1.2954 | |
| 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 | 0.0000 | |
| 304 | K | A | -1.7159 | |
| 305 | S | A | 0.0000 | |
| 306 | D | A | -2.0912 | |
| 307 | K | A | -1.4380 | |
| 308 | P | A | -1.4886 | |
| 309 | D | A | -1.6038 | |
| 310 | L | A | -0.3233 | |
| 311 | G | A | -0.1216 | |
| 312 | Y | A | 0.0000 | |
| 313 | F | A | 0.6750 | |
| 314 | F | A | 0.0000 | |
| 315 | D | A | -1.9972 | |
| 316 | D | A | -1.2991 | |
| 317 | H | A | 0.0000 | |
| 318 | V | A | 0.0000 | |
| 319 | R | A | -2.4454 | |
| 320 | F | A | 0.0000 | |
| 321 | M | A | 0.0000 | |
| 322 | D | A | -1.4261 | |
| 323 | A | A | -1.3400 | |
| 324 | F | A | 0.0000 | |
| 325 | I | A | 0.0000 | |
| 326 | E | A | -2.2693 | |
| 327 | A | A | -1.1817 | |
| 328 | L | A | -0.7608 | |
| 329 | G | A | -1.6982 | |
| 330 | L | A | 0.0000 | |
| 331 | E | A | -3.2950 | |
| 332 | E | A | -3.2992 | |
| 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 | -0.8383 | |
| 348 | W | A | 0.0000 | |
| 349 | A | A | 0.0000 | |
| 350 | K | A | -1.9178 | |
| 351 | R | A | -1.6493 | |
| 352 | N | A | -1.9238 | |
| 353 | P | A | -1.9882 | |
| 354 | E | A | -2.9714 | |
| 355 | R | A | -2.8991 | |
| 356 | V | A | 0.0000 | |
| 357 | K | A | -1.8987 | |
| 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 | -0.7420 | |
| 368 | I | A | 0.0000 | |
| 369 | P | A | -0.9532 | |
| 370 | T | A | -0.9894 | |
| 371 | W | A | -1.6019 | |
| 372 | D | A | -2.5663 | |
| 373 | E | A | -2.0402 | |
| 374 | W | A | 0.0000 | |
| 375 | P | A | -1.1690 | |
| 376 | E | A | -1.9016 | |
| 377 | F | A | 0.4390 | |
| 378 | A | A | 0.0000 | |
| 379 | R | A | -1.7639 | |
| 380 | E | A | -2.1389 | |
| 381 | T | A | -0.9870 | |
| 382 | F | A | -0.6895 | |
| 383 | Q | A | -1.3058 | |
| 384 | A | A | -1.1623 | |
| 385 | F | A | 0.0000 | |
| 386 | R | A | -1.0672 | |
| 387 | T | A | -0.9752 | |
| 388 | T | A | -1.3592 | |
| 389 | D | A | -2.2019 | |
| 390 | V | A | -1.1015 | |
| 391 | G | A | 0.0000 | |
| 392 | R | A | -2.3825 | |
| 393 | K | A | -2.7468 | |
| 394 | L | A | -1.4050 | |
| 395 | I | A | 0.0000 | |
| 396 | I | A | -1.3898 | |
| 397 | D | A | -2.6849 | |
| 398 | Q | A | -2.2028 | |
| 399 | N | A | 0.0000 | |
| 400 | V | A | -0.6157 | |
| 401 | F | A | 0.0000 | |
| 402 | I | A | 0.0000 | |
| 403 | E | A | -1.0852 | |
| 404 | G | A | -0.5133 | |
| 405 | T | A | -0.0886 | |
| 406 | L | A | 0.0000 | |
| 407 | P | A | 0.0338 | |
| 408 | M | A | 0.6450 | |
| 409 | G | A | 0.0000 | |
| 410 | V | A | 0.0000 | |
| 411 | V | A | 1.1019 | |
| 412 | R | A | 0.1890 | |
| 413 | P | A | -0.2221 | |
| 414 | L | A | -0.1908 | |
| 415 | T | A | -0.6756 | |
| 416 | E | A | -1.6740 | |
| 417 | V | A | -0.1155 | |
| 418 | E | A | 0.0000 | |
| 419 | M | A | 0.0000 | |
| 420 | D | A | -2.4802 | |
| 421 | H | A | -1.9010 | |
| 422 | Y | A | 0.0000 | |
| 423 | R | A | -2.0955 | |
| 424 | E | A | -2.5697 | |
| 425 | P | A | -1.5529 | |
| 426 | F | A | 0.0000 | |
| 427 | L | A | 0.1992 | |
| 428 | N | A | -0.6054 | |
| 429 | P | A | -0.4735 | |
| 430 | V | A | 0.8683 | |
| 431 | D | A | 0.0217 | |
| 432 | R | A | 0.0000 | |
| 433 | E | A | -0.1259 | |
| 434 | P | A | 0.0000 | |
| 435 | L | A | 0.0000 | |
| 436 | W | A | 0.0000 | |
| 437 | R | A | -0.1724 | |
| 438 | F | A | 0.0000 | |
| 439 | P | A | 0.0000 | |
| 440 | N | A | -0.5445 | |
| 441 | E | A | 0.0000 | |
| 442 | L | A | 0.0000 | |
| 443 | P | A | 0.0000 | |
| 444 | I | A | 0.0000 | |
| 445 | A | A | -1.0475 | |
| 446 | G | A | -1.3902 | |
| 447 | E | A | -2.2185 | |
| 448 | P | A | -1.5607 | |
| 449 | A | A | -1.2668 | |
| 450 | N | A | -1.4903 | |
| 451 | I | A | 0.0000 | |
| 452 | V | A | -1.4352 | |
| 453 | A | A | -1.5605 | |
| 454 | L | A | -1.2736 | |
| 455 | V | A | 0.0000 | |
| 456 | E | A | -3.0436 | |
| 457 | E | A | -3.2820 | |
| 458 | Y | A | 0.0000 | |
| 459 | M | A | 0.0000 | |
| 460 | D | A | -3.3117 | |
| 461 | W | A | -2.2908 | |
| 462 | L | A | 0.0000 | |
| 463 | H | A | -1.7088 | |
| 464 | Q | A | -1.9662 | |
| 465 | S | A | 0.0000 | |
| 466 | P | A | -0.9660 | |
| 467 | V | A | 0.0000 | |
| 468 | P | A | -0.9140 | |
| 469 | K | A | 0.0000 | |
| 470 | L | A | 0.0000 | |
| 471 | L | A | 0.0000 | |
| 472 | F | A | 0.0000 | |
| 473 | W | A | -0.3605 | |
| 474 | G | A | 0.0000 | |
| 475 | T | A | -0.2874 | |
| 476 | P | A | -0.1305 | |
| 477 | G | A | 0.0000 | |
| 478 | V | A | 0.0491 | |
| 479 | L | A | 0.0000 | |
| 480 | I | A | 0.0000 | |
| 481 | P | A | -0.1348 | |
| 482 | P | A | -0.5192 | |
| 483 | A | A | -0.4637 | |
| 484 | E | A | -0.8446 | |
| 485 | A | A | 0.0000 | |
| 486 | A | A | -1.2166 | |
| 487 | R | A | -1.9486 | |
| 488 | L | A | 0.0000 | |
| 489 | A | A | -1.6897 | |
| 490 | K | A | -2.4731 | |
| 491 | S | A | -1.6459 | |
| 492 | L | A | 0.0000 | |
| 493 | P | A | -1.5759 | |
| 494 | N | A | -1.9979 | |
| 495 | C | A | -1.4626 | |
| 496 | K | A | -1.6039 | |
| 497 | A | A | -0.9803 | |
| 498 | V | A | 0.0000 | |
| 499 | D | A | -1.2611 | |
| 500 | I | A | 0.0000 | |
| 501 | G | A | -0.6758 | |
| 502 | P | A | -0.3276 | |
| 503 | G | A | 0.0000 | |
| 504 | L | A | 0.4133 | |
| 505 | N | A | 0.1888 | |
| 506 | L | A | 0.0000 | |
| 507 | L | A | 0.0000 | |
| 508 | Q | A | 0.0000 | |
| 509 | E | A | 0.0000 | |
| 510 | D | A | -0.1364 | |
| 511 | N | A | -0.1699 | |
| 512 | P | A | 0.0000 | |
| 513 | D | A | -0.1244 | |
| 514 | L | A | -0.1051 | |
| 515 | I | A | 0.0000 | |
| 516 | G | A | 0.0000 | |
| 517 | S | A | -0.6814 | |
| 518 | E | A | -0.8047 | |
| 519 | I | A | 0.0000 | |
| 520 | A | A | -0.8112 | |
| 521 | R | A | -1.6852 | |
| 522 | W | A | -0.5975 | |
| 523 | L | A | 0.0081 |
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 |
|||
| IR227A | -1.4519 | -0.0185 | View | CSV | PDB |
| LR229A | -0.9674 | -0.0189 | View | CSV | PDB |
| LR168A | -0.4117 | -0.0277 | View | CSV | PDB |
| LK168A | -0.5339 | -0.024 | View | CSV | PDB |
| IE227A | -1.1277 | -0.0148 | View | CSV | PDB |
| LR427A | -1.0445 | -0.015 | View | CSV | PDB |
| VE2A | -0.5277 | -0.0149 | View | CSV | PDB |
| VE430A | -0.2773 | -0.0188 | View | CSV | PDB |
| VK430A | -0.658 | -0.0123 | View | CSV | PDB |
| LK229A | -0.2836 | -0.0181 | View | CSV | PDB |
| VK12A | -0.4839 | -0.0139 | View | CSV | PDB |
| VR2A | -0.6301 | -0.0119 | View | CSV | PDB |
| VR411A | -0.3319 | -0.015 | View | CSV | PDB |
| VK411A | -0.3843 | -0.0132 | View | CSV | PDB |
| VR12A | -0.2889 | -0.0129 | View | CSV | PDB |
| MR408A | -0.5984 | -0.009 | View | CSV | PDB |
| MR231A | -0.4043 | -0.0091 | View | CSV | PDB |
| MK408A | -0.2881 | -0.0083 | View | CSV | PDB |
| MK231A | -0.4974 | -0.0059 | View | CSV | PDB |
| MK1A | -0.1669 | -0.0085 | View | CSV | PDB |
| MD1A | -0.3148 | -0.0069 | View | CSV | PDB |
| SR3A | -0.537 | -0.0053 | View | CSV | PDB |
| LR504A | -0.8461 | -0.004 | View | CSV | PDB |
| SE3A | -0.3534 | -0.0049 | View | CSV | PDB |
| LR144A | -0.6331 | -0.0029 | View | CSV | PDB |
| LR226A | -0.1897 | -0.0047 | View | CSV | PDB |
| TK228A | -0.2549 | -0.0005 | View | CSV | PDB |
| FR313A | 0.0417 | -0.0123 | View | CSV | PDB |
| LK427A | 0.0827 | -0.0168 | View | CSV | PDB |
| IR151A | 0.1181 | -0.0111 | View | CSV | PDB |
| TR228A | 0.1626 | -0.0076 | View | CSV | PDB |
| YR235A | 0.5646 | -0.0226 | View | CSV | PDB |
| LR234A | 0.5712 | -0.018 | View | CSV | PDB |
| YK235A | 0.8187 | -0.0222 | View | CSV | PDB |
| LK234A | 0.6387 | -0.017 | View | CSV | PDB |
| FE196A | 0.8151 | -0.0147 | View | CSV | PDB |
| FK196A | 1.1567 | -0.017 | View | CSV | PDB |
| LK144A | 0.2482 | -0.0032 | View | CSV | PDB |
| FK313A | 0.7903 | -0.0096 | View | CSV | PDB |
| FR377A | 0.9539 | -0.0106 | View | CSV | PDB |
| FK377A | 1.5354 | -0.013 | View | CSV | PDB |
| PR407A | 0.8061 | -0.0041 | View | CSV | PDB |
| IK151A | 0.9059 | -0.0044 | View | CSV | PDB |
| LD226A | 1.52 | -0.0046 | View | CSV | PDB |
| PK407A | 1.5704 | -0.0046 | View | CSV | PDB |
| GR230A | 1.7264 | -0.0049 | View | CSV | PDB |
| LD523A | 3.5846 | -0.0093 | View | CSV | PDB |
| GR11A | 3.6826 | -0.0095 | View | CSV | PDB |
| GD11A | 3.0338 | -0.0073 | View | CSV | PDB |
| GK230A | 1.7483 | -0.0042 | View | CSV | PDB |
| WE58A | 6.0366 | -0.0101 | View | CSV | PDB |
| LK504A | 0.7499 | -0.0011 | View | CSV | PDB |
| LE523A | 3.6152 | -0.0053 | View | CSV | PDB |
| WK58A | 5.0381 | -0.0061 | View | CSV | PDB |
| HD225A | 1.1193 | -0.0002 | View | CSV | PDB |
| NR505A | -3.0322 | 0.0039 | View | CSV | PDB |
| NK505A | -1.8538 | 0.0039 | View | CSV | PDB |
| HR225A | -0.9497 | 0.0046 | View | CSV | PDB |
| VE478A | 2.3892 | 0.0008 | View | CSV | PDB |
| VK478A | 1.1557 | 0.0017 | 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