| Chain sequence(s) |
A: AVAPAHDTPPVPDVDSRGAILRRQYNLSTSPLTSSVATGTNLVLYAAPLSPLLPLQDGTNTHIMATEASNYAQYRVARATIRYRPLVPNAVGGYAISISFWPQTTTTPTSVDMNSITSTDVRILVQPGIASELVIPSERLHYRNQGWRSVETSGVAEEEATSGLVMLCIHGSPVNSYTNTPYTGALGLLDFALELEFRNLTPGNTNTRVSRYSSTARHRLRRGADGTAELTTTAATRFMKDLYFTSTNGVGEIGRGIALTLFNLADTLLGGLPTELISSAGGQLFYSRPVVSANGEPTVKLYTSVENAQQDKGIAIPHDIDLGESRVVIQDYDNQHEQDRPTPSPAPSRPFSVLRANDVLWLSLTAAEYDQSTYGSSTGPVYVSDSVTLVNVATGAQAVARSLDWTKVTLDGRPLSTIQQYSKTFFVLPLRGKLSFWEAGTTKAGYPYNYNTTASDQLLVENAAGHRVAISTYTTSLGAGPVSISAVAVLAPHSVLA
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 (00:03:15)
[INFO] Auto_mut: Residue number 392 from chain A and a score of 1.980 (valine) selected for
automated muatation (00:03:19)
[INFO] Auto_mut: Residue number 495 from chain A and a score of 1.959 (valine) selected for
automated muatation (00:03:19)
[INFO] Auto_mut: Residue number 496 from chain A and a score of 1.784 (leucine) selected for
automated muatation (00:03:19)
[INFO] Auto_mut: Residue number 473 from chain A and a score of 1.767 (tyrosine) selected
for automated muatation (00:03:19)
[INFO] Auto_mut: Residue number 2 from chain A and a score of 1.741 (valine) selected for
automated muatation (00:03:19)
[INFO] Auto_mut: Residue number 448 from chain A and a score of 1.232 (tyrosine) selected
for automated muatation (00:03:19)
[INFO] Auto_mut: Residue number 361 from chain A and a score of 1.181 (tryptophan) selected
for automated muatation (00:03:19)
[INFO] Auto_mut: Residue number 63 from chain A and a score of 1.175 (isoleucine) selected
for automated muatation (00:03:19)
[INFO] Auto_mut: Residue number 11 from chain A and a score of 1.046 (valine) selected for
automated muatation (00:03:19)
[INFO] Auto_mut: Residue number 497 from chain A and a score of 1.015 (alanine) selected for
automated muatation (00:03:19)
[INFO] Auto_mut: Residue number 487 from chain A and a score of 1.003 (valine) selected for
automated muatation (00:03:19)
[INFO] Auto_mut: Residue number 446 from chain A and a score of 0.986 (tyrosine) selected
for automated muatation (00:03:19)
[INFO] Auto_mut: Residue number 393 from chain A and a score of 0.978 (alanine) selected for
automated muatation (00:03:19)
[INFO] Auto_mut: Residue number 450 from chain A and a score of 0.920 (tyrosine) selected
for automated muatation (00:03:19)
[INFO] Auto_mut: Residue number 359 from chain A and a score of 0.920 (valine) selected for
automated muatation (00:03:19)
[INFO] Auto_mut: Residue number 250 from chain A and a score of 0.911 (valine) selected for
automated muatation (00:03:19)
[INFO] Auto_mut: Residue number 1 from chain A and a score of 0.899 (alanine) selected for
automated muatation (00:03:19)
[INFO] Auto_mut: Residue number 200 from chain A and a score of 0.849 (leucine) selected for
automated muatation (00:03:19)
[INFO] Auto_mut: Residue number 134 from chain A and a score of 0.805 (valine) selected for
automated muatation (00:03:19)
[INFO] Auto_mut: Residue number 177 from chain A and a score of 0.803 (tyrosine) selected
for automated muatation (00:03:19)
[INFO] Auto_mut: Residue number 3 from chain A and a score of 0.690 (alanine) selected for
automated muatation (00:03:19)
[INFO] Auto_mut: Residue number 390 from chain A and a score of 0.667 (valine) selected for
automated muatation (00:03:19)
[INFO] Auto_mut: Residue number 494 from chain A and a score of 0.636 (serine) selected for
automated muatation (00:03:19)
[INFO] Auto_mut: Residue number 474 from chain A and a score of 0.582 (threonine) selected
for automated muatation (00:03:19)
[INFO] Auto_mut: Residue number 129 from chain A and a score of 0.573 (isoleucine) selected
for automated muatation (00:03:19)
[INFO] Auto_mut: Residue number 86 from chain A and a score of 0.551 (leucine) selected for
automated muatation (00:03:19)
[INFO] Auto_mut: Residue number 449 from chain A and a score of 0.415 (asparagine) selected
for automated muatation (00:03:19)
[INFO] Auto_mut: Residue number 20 from chain A and a score of 0.408 (isoleucine) selected
for automated muatation (00:03:19)
[INFO] Auto_mut: Residue number 471 from chain A and a score of 0.386 (serine) selected for
automated muatation (00:03:19)
[INFO] Auto_mut: Residue number 416 from chain A and a score of 0.267 (serine) selected for
automated muatation (00:03:19)
[INFO] Auto_mut: Mutating residue number 392 from chain A (valine) into glutamic acid (00:03:19)
[INFO] Auto_mut: Mutating residue number 496 from chain A (leucine) into aspartic acid (00:03:19)
[INFO] Auto_mut: Mutating residue number 448 from chain A (tyrosine) into glutamic acid (00:03:19)
[INFO] Auto_mut: Mutating residue number 448 from chain A (tyrosine) into lysine (00:04:57)
[INFO] Auto_mut: Mutating residue number 496 from chain A (leucine) into arginine (00:05:00)
[INFO] Auto_mut: Mutating residue number 392 from chain A (valine) into lysine (00:05:05)
[INFO] Auto_mut: Mutating residue number 448 from chain A (tyrosine) into aspartic acid (00:06:37)
[INFO] Auto_mut: Mutating residue number 473 from chain A (tyrosine) into glutamic acid (00:06:43)
[INFO] Auto_mut: Mutating residue number 392 from chain A (valine) into aspartic acid (00:06:59)
[INFO] Auto_mut: Mutating residue number 448 from chain A (tyrosine) into arginine (00:08:15)
[INFO] Auto_mut: Mutating residue number 473 from chain A (tyrosine) into lysine (00:08:21)
[INFO] Auto_mut: Mutating residue number 392 from chain A (valine) into arginine (00:08:38)
[INFO] Auto_mut: Mutating residue number 361 from chain A (tryptophan) into glutamic acid (00:09:54)
[INFO] Auto_mut: Mutating residue number 473 from chain A (tyrosine) into aspartic acid (00:10:04)
[INFO] Auto_mut: Mutating residue number 495 from chain A (valine) into glutamic acid (00:10:21)
[INFO] Auto_mut: Mutating residue number 361 from chain A (tryptophan) into lysine (00:11:34)
[INFO] Auto_mut: Mutating residue number 473 from chain A (tyrosine) into arginine (00:11:41)
[INFO] Auto_mut: Mutating residue number 495 from chain A (valine) into lysine (00:12:01)
[INFO] Auto_mut: Mutating residue number 2 from chain A (valine) into glutamic acid (00:13:19)
[INFO] Auto_mut: Mutating residue number 495 from chain A (valine) into aspartic acid (00:13:45)
[INFO] Auto_mut: Mutating residue number 361 from chain A (tryptophan) into aspartic acid (00:13:45)
[INFO] Auto_mut: Mutating residue number 2 from chain A (valine) into lysine (00:14:56)
[INFO] Auto_mut: Mutating residue number 495 from chain A (valine) into arginine (00:15:23)
[INFO] Auto_mut: Mutating residue number 361 from chain A (tryptophan) into arginine (00:15:24)
[INFO] Auto_mut: Mutating residue number 2 from chain A (valine) into aspartic acid (00:16:36)
[INFO] Auto_mut: Mutating residue number 496 from chain A (leucine) into glutamic acid (00:17:02)
[INFO] Auto_mut: Mutating residue number 63 from chain A (isoleucine) into glutamic acid (00:17:10)
[INFO] Auto_mut: Mutating residue number 2 from chain A (valine) into arginine (00:18:11)
[INFO] Auto_mut: Mutating residue number 496 from chain A (leucine) into lysine (00:18:44)
[INFO] Auto_mut: Mutating residue number 63 from chain A (isoleucine) into lysine (00:18:59)
[INFO] Auto_mut: Mutating residue number 63 from chain A (isoleucine) into aspartic acid (00:19:53)
[INFO] Auto_mut: Mutating residue number 487 from chain A (valine) into glutamic acid (00:20:57)
[INFO] Auto_mut: Mutating residue number 393 from chain A (alanine) into aspartic acid (00:21:01)
[INFO] Auto_mut: Mutating residue number 63 from chain A (isoleucine) into arginine (00:21:46)
[INFO] Auto_mut: Mutating residue number 393 from chain A (alanine) into arginine (00:23:00)
[INFO] Auto_mut: Mutating residue number 487 from chain A (valine) into lysine (00:23:04)
[INFO] Auto_mut: Mutating residue number 11 from chain A (valine) into glutamic acid (00:24:00)
[INFO] Auto_mut: Mutating residue number 487 from chain A (valine) into aspartic acid (00:25:13)
[INFO] Auto_mut: Mutating residue number 450 from chain A (tyrosine) into glutamic acid (00:25:17)
[INFO] Auto_mut: Mutating residue number 11 from chain A (valine) into lysine (00:25:54)
[INFO] Auto_mut: Mutating residue number 487 from chain A (valine) into arginine (00:27:12)
[INFO] Auto_mut: Mutating residue number 450 from chain A (tyrosine) into lysine (00:27:17)
[INFO] Auto_mut: Mutating residue number 11 from chain A (valine) into aspartic acid (00:27:45)
[INFO] Auto_mut: Mutating residue number 446 from chain A (tyrosine) into glutamic acid (00:29:05)
[INFO] Auto_mut: Mutating residue number 450 from chain A (tyrosine) into aspartic acid (00:29:15)
[INFO] Auto_mut: Mutating residue number 11 from chain A (valine) into arginine (00:29:27)
[INFO] Auto_mut: Mutating residue number 446 from chain A (tyrosine) into lysine (00:30:50)
[INFO] Auto_mut: Mutating residue number 450 from chain A (tyrosine) into arginine (00:31:08)
[INFO] Auto_mut: Mutating residue number 497 from chain A (alanine) into glutamic acid (00:31:16)
[INFO] Auto_mut: Mutating residue number 446 from chain A (tyrosine) into aspartic acid (00:32:38)
[INFO] Auto_mut: Mutating residue number 497 from chain A (alanine) into lysine (00:33:04)
[INFO] Auto_mut: Mutating residue number 359 from chain A (valine) into glutamic acid (00:33:11)
[INFO] Auto_mut: Mutating residue number 446 from chain A (tyrosine) into arginine (00:34:24)
[INFO] Auto_mut: Mutating residue number 497 from chain A (alanine) into aspartic acid (00:34:50)
[INFO] Auto_mut: Mutating residue number 359 from chain A (valine) into lysine (00:35:01)
[INFO] Auto_mut: Mutating residue number 393 from chain A (alanine) into glutamic acid (00:36:13)
[INFO] Auto_mut: Mutating residue number 497 from chain A (alanine) into arginine (00:36:37)
[INFO] Auto_mut: Mutating residue number 359 from chain A (valine) into aspartic acid (00:36:59)
[INFO] Auto_mut: Mutating residue number 393 from chain A (alanine) into lysine (00:38:06)
[INFO] Auto_mut: Mutating residue number 250 from chain A (valine) into glutamic acid (00:38:28)
[INFO] Auto_mut: Mutating residue number 359 from chain A (valine) into arginine (00:38:41)
[INFO] Auto_mut: Mutating residue number 250 from chain A (valine) into lysine (00:40:16)
[INFO] Auto_mut: Mutating residue number 200 from chain A (leucine) into aspartic acid (00:40:18)
[INFO] Auto_mut: Mutating residue number 3 from chain A (alanine) into glutamic acid (00:40:37)
[INFO] Auto_mut: Mutating residue number 200 from chain A (leucine) into arginine (00:42:16)
[INFO] Auto_mut: Mutating residue number 250 from chain A (valine) into aspartic acid (00:42:19)
[INFO] Auto_mut: Mutating residue number 3 from chain A (alanine) into lysine (00:42:37)
[INFO] Auto_mut: Mutating residue number 250 from chain A (valine) into arginine (00:44:10)
[INFO] Auto_mut: Mutating residue number 134 from chain A (valine) into glutamic acid (00:44:16)
[INFO] Auto_mut: Mutating residue number 3 from chain A (alanine) into aspartic acid (00:44:24)
[INFO] Auto_mut: Mutating residue number 1 from chain A (alanine) into glutamic acid (00:46:07)
[INFO] Auto_mut: Mutating residue number 3 from chain A (alanine) into arginine (00:46:15)
[INFO] Auto_mut: Mutating residue number 134 from chain A (valine) into lysine (00:46:16)
[INFO] Auto_mut: Mutating residue number 1 from chain A (alanine) into lysine (00:47:54)
[INFO] Auto_mut: Mutating residue number 390 from chain A (valine) into glutamic acid (00:47:57)
[INFO] Auto_mut: Mutating residue number 134 from chain A (valine) into aspartic acid (00:48:15)
[INFO] Auto_mut: Mutating residue number 1 from chain A (alanine) into aspartic acid (00:49:37)
[INFO] Auto_mut: Mutating residue number 390 from chain A (valine) into lysine (00:49:42)
[INFO] Auto_mut: Mutating residue number 134 from chain A (valine) into arginine (00:49:53)
[INFO] Auto_mut: Mutating residue number 1 from chain A (alanine) into arginine (00:51:10)
[INFO] Auto_mut: Mutating residue number 177 from chain A (tyrosine) into glutamic acid (00:51:40)
[INFO] Auto_mut: Mutating residue number 390 from chain A (valine) into aspartic acid (00:51:55)
[INFO] Auto_mut: Mutating residue number 200 from chain A (leucine) into glutamic acid (00:52:43)
[INFO] Auto_mut: Mutating residue number 177 from chain A (tyrosine) into lysine (00:53:15)
[INFO] Auto_mut: Mutating residue number 390 from chain A (valine) into arginine (00:53:32)
[INFO] Auto_mut: Mutating residue number 200 from chain A (leucine) into lysine (00:54:18)
[INFO] Auto_mut: Mutating residue number 177 from chain A (tyrosine) into aspartic acid (00:54:54)
[INFO] Auto_mut: Mutating residue number 494 from chain A (serine) into glutamic acid (00:55:18)
[INFO] Auto_mut: Mutating residue number 494 from chain A (serine) into aspartic acid (00:56:14)
[INFO] Auto_mut: Mutating residue number 177 from chain A (tyrosine) into arginine (00:56:26)
[INFO] Auto_mut: Mutating residue number 494 from chain A (serine) into lysine (00:56:55)
[INFO] Auto_mut: Mutating residue number 494 from chain A (serine) into arginine (00:57:46)
[INFO] Auto_mut: Mutating residue number 86 from chain A (leucine) into glutamic acid (00:58:02)
[INFO] Auto_mut: Mutating residue number 20 from chain A (isoleucine) into aspartic acid (00:58:48)
[INFO] Auto_mut: Mutating residue number 474 from chain A (threonine) into glutamic acid (00:59:31)
[INFO] Auto_mut: Mutating residue number 86 from chain A (leucine) into lysine (00:59:48)
[INFO] Auto_mut: Mutating residue number 20 from chain A (isoleucine) into arginine (01:00:20)
[INFO] Auto_mut: Mutating residue number 474 from chain A (threonine) into lysine (01:01:05)
[INFO] Auto_mut: Mutating residue number 86 from chain A (leucine) into aspartic acid (01:01:28)
[INFO] Auto_mut: Mutating residue number 471 from chain A (serine) into glutamic acid (01:02:00)
[INFO] Auto_mut: Mutating residue number 474 from chain A (threonine) into aspartic acid (01:02:48)
[INFO] Auto_mut: Mutating residue number 86 from chain A (leucine) into arginine (01:03:00)
[INFO] Auto_mut: Mutating residue number 471 from chain A (serine) into lysine (01:03:50)
[INFO] Auto_mut: Mutating residue number 474 from chain A (threonine) into arginine (01:04:20)
[INFO] Auto_mut: Mutating residue number 449 from chain A (asparagine) into glutamic acid (01:04:37)
[INFO] Auto_mut: Mutating residue number 129 from chain A (isoleucine) into glutamic acid (01:05:59)
[INFO] Auto_mut: Mutating residue number 471 from chain A (serine) into aspartic acid (01:05:59)
[INFO] Auto_mut: Mutating residue number 449 from chain A (asparagine) into lysine (01:06:24)
[INFO] Auto_mut: Mutating residue number 471 from chain A (serine) into arginine (01:07:36)
[INFO] Auto_mut: Mutating residue number 129 from chain A (isoleucine) into lysine (01:07:36)
[INFO] Auto_mut: Mutating residue number 449 from chain A (asparagine) into aspartic acid (01:08:38)
[INFO] Auto_mut: Mutating residue number 129 from chain A (isoleucine) into aspartic acid (01:09:21)
[INFO] Auto_mut: Mutating residue number 416 from chain A (serine) into glutamic acid (01:09:31)
[INFO] Auto_mut: Mutating residue number 449 from chain A (asparagine) into arginine (01:10:18)
[INFO] Auto_mut: Mutating residue number 129 from chain A (isoleucine) into arginine (01:10:55)
[INFO] Auto_mut: Mutating residue number 416 from chain A (serine) into lysine (01:11:05)
[INFO] Auto_mut: Mutating residue number 20 from chain A (isoleucine) into glutamic acid (01:12:16)
[INFO] Auto_mut: Mutating residue number 416 from chain A (serine) into aspartic acid (01:12:38)
[INFO] Auto_mut: Mutating residue number 20 from chain A (isoleucine) into lysine (01:13:51)
[INFO] Auto_mut: Mutating residue number 416 from chain A (serine) into arginine (01:14:16)
[INFO] Auto_mut: Effect of mutation residue number 392 from chain A (valine) into glutamic
acid: Energy difference: 0.1595 kcal/mol, Difference in average score from
the base case: -0.0096 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 392 from chain A (valine) into lysine:
Energy difference: -0.4842 kcal/mol, Difference in average score from the
base case: -0.0079 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 392 from chain A (valine) into aspartic
acid: Energy difference: 0.6696 kcal/mol, Difference in average score from
the base case: -0.0094 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 392 from chain A (valine) into arginine:
Energy difference: -0.4322 kcal/mol, Difference in average score from the
base case: -0.0107 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 495 from chain A (valine) into glutamic
acid: Energy difference: -0.4582 kcal/mol, Difference in average score from
the base case: -0.0028 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 495 from chain A (valine) into lysine:
Energy difference: -0.6375 kcal/mol, Difference in average score from the
base case: -0.0085 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 495 from chain A (valine) into aspartic
acid: Energy difference: -0.8146 kcal/mol, Difference in average score from
the base case: -0.0041 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 495 from chain A (valine) into arginine:
Energy difference: -0.6726 kcal/mol, Difference in average score from the
base case: -0.0096 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 496 from chain A (leucine) into glutamic
acid: Energy difference: 1.1230 kcal/mol, Difference in average score from
the base case: -0.0012 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 496 from chain A (leucine) into lysine:
Energy difference: 0.5117 kcal/mol, Difference in average score from the
base case: -0.0008 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 496 from chain A (leucine) into aspartic
acid: Energy difference: 0.6338 kcal/mol, Difference in average score from
the base case: -0.0007 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 496 from chain A (leucine) into arginine:
Energy difference: 0.5367 kcal/mol, Difference in average score from the
base case: -0.0010 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 473 from chain A (tyrosine) into glutamic
acid: Energy difference: -0.3143 kcal/mol, Difference in average score from
the base case: -0.0013 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 473 from chain A (tyrosine) into lysine:
Energy difference: -0.4115 kcal/mol, Difference in average score from the
base case: -0.0019 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 473 from chain A (tyrosine) into aspartic
acid: Energy difference: -0.2462 kcal/mol, Difference in average score from
the base case: 0.0016 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 473 from chain A (tyrosine) into
arginine: Energy difference: -1.9487 kcal/mol, Difference in average score
from the base case: -0.0031 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 2 from chain A (valine) into glutamic
acid: Energy difference: -0.5815 kcal/mol, Difference in average score from
the base case: -0.0018 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 2 from chain A (valine) into lysine:
Energy difference: -0.0919 kcal/mol, Difference in average score from the
base case: -0.0012 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 2 from chain A (valine) into aspartic
acid: Energy difference: -0.1100 kcal/mol, Difference in average score from
the base case: -0.0016 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 2 from chain A (valine) into arginine:
Energy difference: -0.1266 kcal/mol, Difference in average score from the
base case: -0.0019 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 448 from chain A (tyrosine) into glutamic
acid: Energy difference: 0.9813 kcal/mol, Difference in average score from
the base case: 0.0068 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 448 from chain A (tyrosine) into lysine:
Energy difference: -0.0534 kcal/mol, Difference in average score from the
base case: 0.0055 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 448 from chain A (tyrosine) into aspartic
acid: Energy difference: 0.5665 kcal/mol, Difference in average score from
the base case: 0.0080 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 448 from chain A (tyrosine) into
arginine: Energy difference: -0.7843 kcal/mol, Difference in average score
from the base case: 0.0039 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 361 from chain A (tryptophan) into
glutamic acid: Energy difference: 0.5314 kcal/mol, Difference in average
score from the base case: 0.0026 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 361 from chain A (tryptophan) into
lysine: Energy difference: 0.0378 kcal/mol, Difference in average score
from the base case: 0.0016 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 361 from chain A (tryptophan) into
aspartic acid: Energy difference: 1.8671 kcal/mol, Difference in average
score from the base case: 0.0089 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 361 from chain A (tryptophan) into
arginine: Energy difference: 0.0633 kcal/mol, Difference in average score
from the base case: 0.0081 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 63 from chain A (isoleucine) into
glutamic acid: Energy difference: 0.0877 kcal/mol, Difference in average
score from the base case: -0.0030 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 63 from chain A (isoleucine) into lysine:
Energy difference: 0.6950 kcal/mol, Difference in average score from the
base case: -0.0015 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 63 from chain A (isoleucine) into
aspartic acid: Energy difference: 0.5820 kcal/mol, Difference in average
score from the base case: -0.0024 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 63 from chain A (isoleucine) into
arginine: Energy difference: 0.3696 kcal/mol, Difference in average score
from the base case: -0.0020 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 11 from chain A (valine) into glutamic
acid: Energy difference: -0.6932 kcal/mol, Difference in average score from
the base case: -0.0046 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 11 from chain A (valine) into lysine:
Energy difference: -0.4305 kcal/mol, Difference in average score from the
base case: -0.0039 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 11 from chain A (valine) into aspartic
acid: Energy difference: -0.0007 kcal/mol, Difference in average score from
the base case: -0.0044 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 11 from chain A (valine) into arginine:
Energy difference: -0.4297 kcal/mol, Difference in average score from the
base case: -0.0036 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 497 from chain A (alanine) into glutamic
acid: Energy difference: -0.0140 kcal/mol, Difference in average score from
the base case: 0.0086 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 497 from chain A (alanine) into lysine:
Energy difference: 0.0112 kcal/mol, Difference in average score from the
base case: 0.0091 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 497 from chain A (alanine) into aspartic
acid: Energy difference: -0.0151 kcal/mol, Difference in average score from
the base case: 0.0087 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 497 from chain A (alanine) into arginine:
Energy difference: 0.1205 kcal/mol, Difference in average score from the
base case: 0.0085 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 487 from chain A (valine) into glutamic
acid: Energy difference: 0.9015 kcal/mol, Difference in average score from
the base case: 0.0094 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 487 from chain A (valine) into lysine:
Energy difference: 0.2179 kcal/mol, Difference in average score from the
base case: 0.0082 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 487 from chain A (valine) into aspartic
acid: Energy difference: 2.7160 kcal/mol, Difference in average score from
the base case: 0.0121 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 487 from chain A (valine) into arginine:
Energy difference: 0.7023 kcal/mol, Difference in average score from the
base case: 0.0051 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 446 from chain A (tyrosine) into glutamic
acid: Energy difference: 0.8836 kcal/mol, Difference in average score from
the base case: 0.0076 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 446 from chain A (tyrosine) into lysine:
Energy difference: 0.4466 kcal/mol, Difference in average score from the
base case: 0.0088 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 446 from chain A (tyrosine) into aspartic
acid: Energy difference: 2.2906 kcal/mol, Difference in average score from
the base case: 0.0094 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 446 from chain A (tyrosine) into
arginine: Energy difference: -0.1894 kcal/mol, Difference in average score
from the base case: 0.0057 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 393 from chain A (alanine) into glutamic
acid: Energy difference: -0.0778 kcal/mol, Difference in average score from
the base case: 0.0047 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 393 from chain A (alanine) into lysine:
Energy difference: -0.7529 kcal/mol, Difference in average score from the
base case: 0.0049 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 393 from chain A (alanine) into aspartic
acid: Energy difference: 0.2115 kcal/mol, Difference in average score from
the base case: 0.0058 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 393 from chain A (alanine) into arginine:
Energy difference: -0.9468 kcal/mol, Difference in average score from the
base case: 0.0051 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 450 from chain A (tyrosine) into glutamic
acid: Energy difference: 0.7636 kcal/mol, Difference in average score from
the base case: -0.0094 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 450 from chain A (tyrosine) into lysine:
Energy difference: 0.3862 kcal/mol, Difference in average score from the
base case: -0.0052 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 450 from chain A (tyrosine) into aspartic
acid: Energy difference: 1.2226 kcal/mol, Difference in average score from
the base case: -0.0065 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 450 from chain A (tyrosine) into
arginine: Energy difference: -0.5325 kcal/mol, Difference in average score
from the base case: -0.0124 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 359 from chain A (valine) into glutamic
acid: Energy difference: 0.9648 kcal/mol, Difference in average score from
the base case: 0.0048 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 359 from chain A (valine) into lysine:
Energy difference: 0.0458 kcal/mol, Difference in average score from the
base case: 0.0058 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 359 from chain A (valine) into aspartic
acid: Energy difference: 1.8990 kcal/mol, Difference in average score from
the base case: 0.0073 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 359 from chain A (valine) into arginine:
Energy difference: 0.2998 kcal/mol, Difference in average score from the
base case: 0.0011 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 250 from chain A (valine) into glutamic
acid: Energy difference: 0.1455 kcal/mol, Difference in average score from
the base case: -0.0162 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 250 from chain A (valine) into lysine:
Energy difference: -0.4227 kcal/mol, Difference in average score from the
base case: -0.0131 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 250 from chain A (valine) into aspartic
acid: Energy difference: 0.3093 kcal/mol, Difference in average score from
the base case: -0.0135 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 250 from chain A (valine) into arginine:
Energy difference: -0.7031 kcal/mol, Difference in average score from the
base case: -0.0173 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 1 from chain A (alanine) into glutamic
acid: Energy difference: -0.5022 kcal/mol, Difference in average score from
the base case: 0.0091 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 1 from chain A (alanine) into lysine:
Energy difference: -0.3973 kcal/mol, Difference in average score from the
base case: 0.0095 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 1 from chain A (alanine) into aspartic
acid: Energy difference: -0.7741 kcal/mol, Difference in average score from
the base case: 0.0092 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 1 from chain A (alanine) into arginine:
Energy difference: -0.6636 kcal/mol, Difference in average score from the
base case: 0.0090 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 200 from chain A (leucine) into glutamic
acid: Energy difference: 0.1966 kcal/mol, Difference in average score from
the base case: -0.0129 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 200 from chain A (leucine) into lysine:
Energy difference: 0.2369 kcal/mol, Difference in average score from the
base case: -0.0074 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 200 from chain A (leucine) into aspartic
acid: Energy difference: 1.2943 kcal/mol, Difference in average score from
the base case: -0.0077 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 200 from chain A (leucine) into arginine:
Energy difference: 0.1136 kcal/mol, Difference in average score from the
base case: -0.0094 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 134 from chain A (valine) into glutamic
acid: Energy difference: -0.5923 kcal/mol, Difference in average score from
the base case: -0.0037 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 134 from chain A (valine) into lysine:
Energy difference: -0.8157 kcal/mol, Difference in average score from the
base case: -0.0031 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 134 from chain A (valine) into aspartic
acid: Energy difference: -0.6089 kcal/mol, Difference in average score from
the base case: -0.0040 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 134 from chain A (valine) into arginine:
Energy difference: -0.5830 kcal/mol, Difference in average score from the
base case: -0.0030 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 177 from chain A (tyrosine) into glutamic
acid: Energy difference: -0.4501 kcal/mol, Difference in average score from
the base case: -0.0019 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 177 from chain A (tyrosine) into lysine:
Energy difference: -0.1838 kcal/mol, Difference in average score from the
base case: -0.0026 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 177 from chain A (tyrosine) into aspartic
acid: Energy difference: 0.1628 kcal/mol, Difference in average score from
the base case: -0.0032 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 177 from chain A (tyrosine) into
arginine: Energy difference: -0.6276 kcal/mol, Difference in average score
from the base case: -0.0030 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 3 from chain A (alanine) into glutamic
acid: Energy difference: -0.1643 kcal/mol, Difference in average score from
the base case: 0.0037 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 3 from chain A (alanine) into lysine:
Energy difference: -0.5269 kcal/mol, Difference in average score from the
base case: 0.0066 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 3 from chain A (alanine) into aspartic
acid: Energy difference: -0.4714 kcal/mol, Difference in average score from
the base case: 0.0061 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 3 from chain A (alanine) into arginine:
Energy difference: -0.7948 kcal/mol, Difference in average score from the
base case: 0.0059 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 390 from chain A (valine) into glutamic
acid: Energy difference: 1.1276 kcal/mol, Difference in average score from
the base case: 0.0074 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 390 from chain A (valine) into lysine:
Energy difference: 0.5133 kcal/mol, Difference in average score from the
base case: 0.0058 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 390 from chain A (valine) into aspartic
acid: Energy difference: 2.7185 kcal/mol, Difference in average score from
the base case: 0.0102 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 390 from chain A (valine) into arginine:
Energy difference: -0.4811 kcal/mol, Difference in average score from the
base case: 0.0034 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 494 from chain A (serine) into glutamic
acid: Energy difference: -0.2836 kcal/mol, Difference in average score from
the base case: 0.0071 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 494 from chain A (serine) into lysine:
Energy difference: -0.6173 kcal/mol, Difference in average score from the
base case: 0.0043 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 494 from chain A (serine) into aspartic
acid: Energy difference: 0.1272 kcal/mol, Difference in average score from
the base case: 0.0052 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 494 from chain A (serine) into arginine:
Energy difference: -0.6810 kcal/mol, Difference in average score from the
base case: 0.0050 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 474 from chain A (threonine) into
glutamic acid: Energy difference: 0.2053 kcal/mol, Difference in average
score from the base case: 0.0032 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 474 from chain A (threonine) into lysine:
Energy difference: -0.9357 kcal/mol, Difference in average score from the
base case: 0.0048 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 474 from chain A (threonine) into
aspartic acid: Energy difference: -1.2543 kcal/mol, Difference in average
score from the base case: 0.0046 (01:15:49)
[INFO] Auto_mut: Effect of mutation residue number 474 from chain A (threonine) into
arginine: Energy difference: 0.1167 kcal/mol, Difference in average score
from the base case: -0.0022 (01:15:50)
[INFO] Auto_mut: Effect of mutation residue number 129 from chain A (isoleucine) into
glutamic acid: Energy difference: 0.7794 kcal/mol, Difference in average
score from the base case: -0.0096 (01:15:50)
[INFO] Auto_mut: Effect of mutation residue number 129 from chain A (isoleucine) into
lysine: Energy difference: 0.4029 kcal/mol, Difference in average score
from the base case: -0.0053 (01:15:50)
[INFO] Auto_mut: Effect of mutation residue number 129 from chain A (isoleucine) into
aspartic acid: Energy difference: 0.9804 kcal/mol, Difference in average
score from the base case: -0.0074 (01:15:50)
[INFO] Auto_mut: Effect of mutation residue number 129 from chain A (isoleucine) into
arginine: Energy difference: 0.2663 kcal/mol, Difference in average score
from the base case: -0.0092 (01:15:50)
[INFO] Auto_mut: Effect of mutation residue number 86 from chain A (leucine) into glutamic
acid: Energy difference: 1.9900 kcal/mol, Difference in average score from
the base case: -0.0062 (01:15:50)
[INFO] Auto_mut: Effect of mutation residue number 86 from chain A (leucine) into lysine:
Energy difference: 1.0554 kcal/mol, Difference in average score from the
base case: -0.0006 (01:15:50)
[INFO] Auto_mut: Effect of mutation residue number 86 from chain A (leucine) into aspartic
acid: Energy difference: 2.3339 kcal/mol, Difference in average score from
the base case: -0.0039 (01:15:50)
[INFO] Auto_mut: Effect of mutation residue number 86 from chain A (leucine) into arginine:
Energy difference: 1.0030 kcal/mol, Difference in average score from the
base case: -0.0020 (01:15:50)
[INFO] Auto_mut: Effect of mutation residue number 449 from chain A (asparagine) into
glutamic acid: Energy difference: -1.3796 kcal/mol, Difference in average
score from the base case: 0.0119 (01:15:50)
[INFO] Auto_mut: Effect of mutation residue number 449 from chain A (asparagine) into
lysine: Energy difference: -0.0624 kcal/mol, Difference in average score
from the base case: 0.0057 (01:15:50)
[INFO] Auto_mut: Effect of mutation residue number 449 from chain A (asparagine) into
aspartic acid: Energy difference: 0.0646 kcal/mol, Difference in average
score from the base case: 0.0091 (01:15:50)
[INFO] Auto_mut: Effect of mutation residue number 449 from chain A (asparagine) into
arginine: Energy difference: -0.0172 kcal/mol, Difference in average score
from the base case: 0.0035 (01:15:50)
[INFO] Auto_mut: Effect of mutation residue number 20 from chain A (isoleucine) into
glutamic acid: Energy difference: -0.0507 kcal/mol, Difference in average
score from the base case: -0.0084 (01:15:50)
[INFO] Auto_mut: Effect of mutation residue number 20 from chain A (isoleucine) into lysine:
Energy difference: 0.3745 kcal/mol, Difference in average score from the
base case: -0.0067 (01:15:50)
[INFO] Auto_mut: Effect of mutation residue number 20 from chain A (isoleucine) into
aspartic acid: Energy difference: -0.3448 kcal/mol, Difference in average
score from the base case: -0.0083 (01:15:50)
[INFO] Auto_mut: Effect of mutation residue number 20 from chain A (isoleucine) into
arginine: Energy difference: 0.4947 kcal/mol, Difference in average score
from the base case: -0.0089 (01:15:50)
[INFO] Auto_mut: Effect of mutation residue number 471 from chain A (serine) into glutamic
acid: Energy difference: 0.1562 kcal/mol, Difference in average score from
the base case: 0.0135 (01:15:50)
[INFO] Auto_mut: Effect of mutation residue number 471 from chain A (serine) into lysine:
Energy difference: -0.9888 kcal/mol, Difference in average score from the
base case: 0.0137 (01:15:50)
[INFO] Auto_mut: Effect of mutation residue number 471 from chain A (serine) into aspartic
acid: Energy difference: 0.6868 kcal/mol, Difference in average score from
the base case: 0.0157 (01:15:50)
[INFO] Auto_mut: Effect of mutation residue number 471 from chain A (serine) into arginine:
Energy difference: -0.7662 kcal/mol, Difference in average score from the
base case: 0.0105 (01:15:50)
[INFO] Auto_mut: Effect of mutation residue number 416 from chain A (serine) into glutamic
acid: Energy difference: -1.6100 kcal/mol, Difference in average score from
the base case: 0.0124 (01:15:50)
[INFO] Auto_mut: Effect of mutation residue number 416 from chain A (serine) into lysine:
Energy difference: -1.2697 kcal/mol, Difference in average score from the
base case: 0.0106 (01:15:50)
[INFO] Auto_mut: Effect of mutation residue number 416 from chain A (serine) into aspartic
acid: Energy difference: -1.8605 kcal/mol, Difference in average score from
the base case: 0.0131 (01:15:50)
[INFO] Auto_mut: Effect of mutation residue number 416 from chain A (serine) into arginine:
Energy difference: -0.6538 kcal/mol, Difference in average score from the
base case: 0.0098 (01:15:50)
[INFO] Main: Simulation completed successfully. (01:16:21)
|
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 | A | A | 0.8995 | |
| 2 | V | A | 1.7406 | |
| 3 | A | A | 0.6897 | |
| 4 | P | A | -0.2900 | |
| 5 | A | A | -0.9050 | |
| 6 | H | A | -1.9364 | |
| 7 | D | A | -2.4058 | |
| 8 | T | A | -1.2474 | |
| 9 | P | A | -0.6549 | |
| 10 | P | A | 0.1369 | |
| 11 | V | A | 1.0463 | |
| 12 | P | A | -0.2302 | |
| 13 | D | A | -1.1186 | |
| 14 | V | A | -0.0876 | |
| 15 | D | A | -1.6756 | |
| 16 | S | A | -1.6640 | |
| 17 | R | A | -2.1996 | |
| 18 | G | A | -1.4127 | |
| 19 | A | A | -1.0525 | |
| 20 | I | A | 0.4084 | |
| 21 | L | A | -0.3961 | |
| 22 | R | A | -2.2346 | |
| 23 | R | A | -2.5485 | |
| 24 | Q | A | -2.6808 | |
| 25 | Y | A | 0.0000 | |
| 26 | N | A | -1.3291 | |
| 27 | L | A | -0.5240 | |
| 28 | S | A | -0.6049 | |
| 29 | T | A | 0.0000 | |
| 30 | S | A | -0.8921 | |
| 31 | P | A | -0.5344 | |
| 32 | L | A | 0.0000 | |
| 33 | T | A | -0.1158 | |
| 34 | S | A | 0.0000 | |
| 35 | S | A | -0.4257 | |
| 36 | V | A | 0.0000 | |
| 37 | A | A | -0.1332 | |
| 38 | T | A | -0.6100 | |
| 39 | G | A | 0.0000 | |
| 40 | T | A | -0.5333 | |
| 41 | N | A | -0.6621 | |
| 42 | L | A | 0.0000 | |
| 43 | V | A | 0.0000 | |
| 44 | L | A | 0.0000 | |
| 45 | Y | A | 0.0000 | |
| 46 | A | A | 0.0000 | |
| 47 | A | A | 0.0000 | |
| 48 | P | A | 0.0000 | |
| 49 | L | A | 0.0000 | |
| 50 | S | A | 0.0000 | |
| 51 | P | A | 0.0000 | |
| 52 | L | A | 0.0000 | |
| 53 | L | A | 0.0000 | |
| 54 | P | A | 0.0000 | |
| 55 | L | A | 0.0000 | |
| 56 | Q | A | -1.8802 | |
| 57 | D | A | -2.0101 | |
| 58 | G | A | -1.0858 | |
| 59 | T | A | -0.9947 | |
| 60 | N | A | -1.3081 | |
| 61 | T | A | -0.4938 | |
| 62 | H | A | 0.1787 | |
| 63 | I | A | 1.1748 | |
| 64 | M | A | 0.0000 | |
| 65 | A | A | 0.0000 | |
| 66 | T | A | 0.0981 | |
| 67 | E | A | -0.0944 | |
| 68 | A | A | 0.0000 | |
| 69 | S | A | 0.0000 | |
| 70 | N | A | -0.5503 | |
| 71 | Y | A | -0.0987 | |
| 72 | A | A | -0.5063 | |
| 73 | Q | A | -0.8617 | |
| 74 | Y | A | 0.0000 | |
| 75 | R | A | -1.2104 | |
| 76 | V | A | 0.0000 | |
| 77 | A | A | 0.0000 | |
| 78 | R | A | -1.9183 | |
| 79 | A | A | 0.0000 | |
| 80 | T | A | -0.4381 | |
| 81 | I | A | 0.0000 | |
| 82 | R | A | -1.4634 | |
| 83 | Y | A | 0.0000 | |
| 84 | R | A | -0.8672 | |
| 85 | P | A | -0.1835 | |
| 86 | L | A | 0.5510 | |
| 87 | V | A | 0.0386 | |
| 88 | P | A | -0.6908 | |
| 89 | N | A | -1.2950 | |
| 90 | A | A | -0.5059 | |
| 91 | V | A | 0.0000 | |
| 92 | G | A | -0.7659 | |
| 93 | G | A | -0.6309 | |
| 94 | Y | A | 0.0000 | |
| 95 | A | A | -0.3467 | |
| 96 | I | A | 0.0000 | |
| 97 | S | A | 0.0000 | |
| 98 | I | A | 0.0000 | |
| 99 | S | A | 0.0000 | |
| 100 | F | A | 0.0000 | |
| 101 | W | A | -0.6419 | |
| 102 | P | A | 0.0000 | |
| 103 | Q | A | -1.3723 | |
| 104 | T | A | 0.0000 | |
| 105 | T | A | -0.9796 | |
| 106 | T | A | -0.4192 | |
| 107 | T | A | -0.2878 | |
| 108 | P | A | 0.0000 | |
| 109 | T | A | -0.1521 | |
| 110 | S | A | -0.4097 | |
| 111 | V | A | 0.0000 | |
| 112 | D | A | -1.0068 | |
| 113 | M | A | -0.6285 | |
| 114 | N | A | -1.4047 | |
| 115 | S | A | -0.8782 | |
| 116 | I | A | 0.0000 | |
| 117 | T | A | -0.8745 | |
| 118 | S | A | -1.0987 | |
| 119 | T | A | -1.3402 | |
| 120 | D | A | -2.0302 | |
| 121 | V | A | 0.0000 | |
| 122 | R | A | -1.0709 | |
| 123 | I | A | -0.1320 | |
| 124 | L | A | 0.2531 | |
| 125 | V | A | 0.0000 | |
| 126 | Q | A | -0.8677 | |
| 127 | P | A | -0.8178 | |
| 128 | G | A | -0.4849 | |
| 129 | I | A | 0.5726 | |
| 130 | A | A | -0.3303 | |
| 131 | S | A | -0.9975 | |
| 132 | E | A | -1.7915 | |
| 133 | L | A | 0.0000 | |
| 134 | V | A | 0.8047 | |
| 135 | I | A | 0.0000 | |
| 136 | P | A | -0.7937 | |
| 137 | S | A | -1.4770 | |
| 138 | E | A | -2.2168 | |
| 139 | R | A | -1.5027 | |
| 140 | L | A | 0.0000 | |
| 141 | H | A | -1.9758 | |
| 142 | Y | A | -1.0321 | |
| 143 | R | A | -2.9410 | |
| 144 | N | A | -2.6895 | |
| 145 | Q | A | -2.3561 | |
| 146 | G | A | 0.0000 | |
| 147 | W | A | -1.4094 | |
| 148 | R | A | 0.0000 | |
| 149 | S | A | -0.9014 | |
| 150 | V | A | 0.0000 | |
| 151 | E | A | -0.6196 | |
| 152 | T | A | 0.0000 | |
| 153 | S | A | -0.5065 | |
| 154 | G | A | -0.6558 | |
| 155 | V | A | -0.8790 | |
| 156 | A | A | -1.3482 | |
| 157 | E | A | 0.0000 | |
| 158 | E | A | -2.4793 | |
| 159 | E | A | -2.7505 | |
| 160 | A | A | 0.0000 | |
| 161 | T | A | 0.0000 | |
| 162 | S | A | 0.0000 | |
| 163 | G | A | 0.0000 | |
| 164 | L | A | 0.0000 | |
| 165 | V | A | 0.0000 | |
| 166 | M | A | 0.0000 | |
| 167 | L | A | 0.0000 | |
| 168 | C | A | 0.0000 | |
| 169 | I | A | 0.0000 | |
| 170 | H | A | 0.0000 | |
| 171 | G | A | -0.3284 | |
| 172 | S | A | -0.2419 | |
| 173 | P | A | 0.0000 | |
| 174 | V | A | 0.0253 | |
| 175 | N | A | -0.4082 | |
| 176 | S | A | -0.2603 | |
| 177 | Y | A | 0.8033 | |
| 178 | T | A | -0.1321 | |
| 179 | N | A | -0.9831 | |
| 180 | T | A | -0.4909 | |
| 181 | P | A | -0.3757 | |
| 182 | Y | A | -0.1154 | |
| 183 | T | A | -0.0977 | |
| 184 | G | A | -0.1181 | |
| 185 | A | A | 0.1268 | |
| 186 | L | A | 0.0000 | |
| 187 | G | A | 0.0000 | |
| 188 | L | A | -0.2015 | |
| 189 | L | A | 0.0000 | |
| 190 | D | A | 0.0000 | |
| 191 | F | A | 0.0000 | |
| 192 | A | A | -0.9633 | |
| 193 | L | A | 0.0000 | |
| 194 | E | A | -2.2403 | |
| 195 | L | A | 0.0000 | |
| 196 | E | A | 0.0000 | |
| 197 | F | A | 0.0000 | |
| 198 | R | A | -0.7349 | |
| 199 | N | A | -0.5630 | |
| 200 | L | A | 0.8488 | |
| 201 | T | A | -0.0492 | |
| 202 | P | A | -0.4272 | |
| 203 | G | A | -0.6837 | |
| 204 | N | A | -0.4971 | |
| 205 | T | A | 0.0000 | |
| 206 | N | A | 0.0000 | |
| 207 | T | A | -0.5339 | |
| 208 | R | A | -1.1639 | |
| 209 | V | A | 0.0000 | |
| 210 | S | A | 0.0000 | |
| 211 | R | A | 0.0000 | |
| 212 | Y | A | -0.2149 | |
| 213 | S | A | -0.2098 | |
| 214 | S | A | -0.3128 | |
| 215 | T | A | -0.9850 | |
| 216 | A | A | -1.7502 | |
| 217 | R | A | -3.1807 | |
| 218 | H | A | 0.0000 | |
| 219 | R | A | -3.2723 | |
| 220 | L | A | 0.0000 | |
| 221 | R | A | -2.6819 | |
| 222 | R | A | -3.2306 | |
| 223 | G | A | -1.9956 | |
| 224 | A | A | -1.4045 | |
| 225 | D | A | -2.1535 | |
| 226 | G | A | 0.0000 | |
| 227 | T | A | -1.7662 | |
| 228 | A | A | 0.0000 | |
| 229 | E | A | -1.2671 | |
| 230 | L | A | 0.0000 | |
| 231 | T | A | -1.0882 | |
| 232 | T | A | 0.0000 | |
| 233 | T | A | -0.3503 | |
| 234 | A | A | 0.0000 | |
| 235 | A | A | 0.0000 | |
| 236 | T | A | -0.5027 | |
| 237 | R | A | -0.4116 | |
| 238 | F | A | -0.3158 | |
| 239 | M | A | -0.5454 | |
| 240 | K | A | -1.2827 | |
| 241 | D | A | 0.0000 | |
| 242 | L | A | -0.5533 | |
| 243 | Y | A | -0.3827 | |
| 244 | F | A | 0.0000 | |
| 245 | T | A | -0.4990 | |
| 246 | S | A | -0.3867 | |
| 247 | T | A | -0.5405 | |
| 248 | N | A | -1.0782 | |
| 249 | G | A | -0.1889 | |
| 250 | V | A | 0.9114 | |
| 251 | G | A | -0.1146 | |
| 252 | E | A | -0.4236 | |
| 253 | I | A | -0.3131 | |
| 254 | G | A | 0.0000 | |
| 255 | R | A | -1.2859 | |
| 256 | G | A | 0.0000 | |
| 257 | I | A | 0.0000 | |
| 258 | A | A | 0.0000 | |
| 259 | L | A | 0.0000 | |
| 260 | T | A | 0.0000 | |
| 261 | L | A | 0.0000 | |
| 262 | F | A | 0.0000 | |
| 263 | N | A | 0.0000 | |
| 264 | L | A | 0.0000 | |
| 265 | A | A | -0.6673 | |
| 266 | D | A | -0.8819 | |
| 267 | T | A | -0.3841 | |
| 268 | L | A | -0.1663 | |
| 269 | L | A | 0.0980 | |
| 270 | G | A | -0.4017 | |
| 271 | G | A | -0.5407 | |
| 272 | L | A | -0.2699 | |
| 273 | P | A | -0.5272 | |
| 274 | T | A | -0.7963 | |
| 275 | E | A | -1.5508 | |
| 276 | L | A | 0.0000 | |
| 277 | I | A | 0.0277 | |
| 278 | S | A | -0.4408 | |
| 279 | S | A | 0.0000 | |
| 280 | A | A | 0.0000 | |
| 281 | G | A | -0.2153 | |
| 282 | G | A | 0.0000 | |
| 283 | Q | A | 0.0000 | |
| 284 | L | A | 0.0000 | |
| 285 | F | A | 0.0000 | |
| 286 | Y | A | 0.0000 | |
| 287 | S | A | 0.0000 | |
| 288 | R | A | 0.0000 | |
| 289 | P | A | 0.0000 | |
| 290 | V | A | -0.1654 | |
| 291 | V | A | -0.2283 | |
| 292 | S | A | -0.7353 | |
| 293 | A | A | -0.5309 | |
| 294 | N | A | -1.7981 | |
| 295 | G | A | -1.6500 | |
| 296 | E | A | -2.3993 | |
| 297 | P | A | -1.2217 | |
| 298 | T | A | 0.0000 | |
| 299 | V | A | 0.0000 | |
| 300 | K | A | 0.0000 | |
| 301 | L | A | 0.0000 | |
| 302 | Y | A | 0.0000 | |
| 303 | T | A | -0.9596 | |
| 304 | S | A | -1.1477 | |
| 305 | V | A | 0.0000 | |
| 306 | E | A | -2.7957 | |
| 307 | N | A | -2.6095 | |
| 308 | A | A | 0.0000 | |
| 309 | Q | A | -2.4964 | |
| 310 | Q | A | -2.7312 | |
| 311 | D | A | -2.7633 | |
| 312 | K | A | -2.9249 | |
| 313 | G | A | -1.6339 | |
| 314 | I | A | 0.0000 | |
| 315 | A | A | -1.2369 | |
| 316 | I | A | 0.0000 | |
| 317 | P | A | -1.3051 | |
| 318 | H | A | -2.2765 | |
| 319 | D | A | -2.8530 | |
| 320 | I | A | 0.0000 | |
| 321 | D | A | -2.6760 | |
| 322 | L | A | 0.0000 | |
| 323 | G | A | 0.0000 | |
| 324 | E | A | -3.0104 | |
| 325 | S | A | 0.0000 | |
| 326 | R | A | -0.9771 | |
| 327 | V | A | 0.0000 | |
| 328 | V | A | 0.0000 | |
| 329 | I | A | 0.0000 | |
| 330 | Q | A | 0.0000 | |
| 331 | D | A | -0.2295 | |
| 332 | Y | A | 0.0000 | |
| 333 | D | A | 0.0000 | |
| 334 | N | A | 0.0000 | |
| 335 | Q | A | -1.0133 | |
| 336 | H | A | -1.5377 | |
| 337 | E | A | -1.9096 | |
| 338 | Q | A | -2.1159 | |
| 339 | D | A | 0.0000 | |
| 340 | R | A | -1.3377 | |
| 341 | P | A | -1.0869 | |
| 342 | T | A | -0.6417 | |
| 343 | P | A | -0.7623 | |
| 344 | S | A | -0.6612 | |
| 345 | P | A | -0.5516 | |
| 346 | A | A | -0.4924 | |
| 347 | P | A | -0.6046 | |
| 348 | S | A | -0.6775 | |
| 349 | R | A | -0.5652 | |
| 350 | P | A | -0.5693 | |
| 351 | F | A | 0.0000 | |
| 352 | S | A | -0.8027 | |
| 353 | V | A | -0.6103 | |
| 354 | L | A | 0.0000 | |
| 355 | R | A | -2.4599 | |
| 356 | A | A | -1.7352 | |
| 357 | N | A | -1.6318 | |
| 358 | D | A | 0.0000 | |
| 359 | V | A | 0.9201 | |
| 360 | L | A | 0.0000 | |
| 361 | W | A | 1.1811 | |
| 362 | L | A | 0.0000 | |
| 363 | S | A | 0.1455 | |
| 364 | L | A | 0.0000 | |
| 365 | T | A | -0.5785 | |
| 366 | A | A | -0.7584 | |
| 367 | A | A | 0.0000 | |
| 368 | E | A | -1.8210 | |
| 369 | Y | A | -0.9733 | |
| 370 | D | A | -1.1308 | |
| 371 | Q | A | -1.3831 | |
| 372 | S | A | -0.7109 | |
| 373 | T | A | -0.4316 | |
| 374 | Y | A | 0.0000 | |
| 375 | G | A | 0.0000 | |
| 376 | S | A | -0.6836 | |
| 377 | S | A | -0.5351 | |
| 378 | T | A | -0.1537 | |
| 379 | G | A | -0.1626 | |
| 380 | P | A | 0.0000 | |
| 381 | V | A | 0.0000 | |
| 382 | Y | A | 0.0000 | |
| 383 | V | A | 0.0000 | |
| 384 | S | A | 0.0000 | |
| 385 | D | A | -1.9258 | |
| 386 | S | A | -1.0234 | |
| 387 | V | A | 0.0000 | |
| 388 | T | A | -0.2143 | |
| 389 | L | A | 0.0000 | |
| 390 | V | A | 0.6669 | |
| 391 | N | A | 0.0000 | |
| 392 | V | A | 1.9799 | |
| 393 | A | A | 0.9782 | |
| 394 | T | A | 0.1898 | |
| 395 | G | A | 0.0478 | |
| 396 | A | A | -0.3955 | |
| 397 | Q | A | -0.7216 | |
| 398 | A | A | -0.4987 | |
| 399 | V | A | -0.2272 | |
| 400 | A | A | 0.0000 | |
| 401 | R | A | -2.0655 | |
| 402 | S | A | -0.9451 | |
| 403 | L | A | -1.1282 | |
| 404 | D | A | -2.0358 | |
| 405 | W | A | 0.0000 | |
| 406 | T | A | -1.4677 | |
| 407 | K | A | -2.2116 | |
| 408 | V | A | 0.0000 | |
| 409 | T | A | -1.4799 | |
| 410 | L | A | 0.0000 | |
| 411 | D | A | -2.0714 | |
| 412 | G | A | -1.7018 | |
| 413 | R | A | -2.0008 | |
| 414 | P | A | -1.4264 | |
| 415 | L | A | 0.0000 | |
| 416 | S | A | 0.2668 | |
| 417 | T | A | -0.0649 | |
| 418 | I | A | -0.4032 | |
| 419 | Q | A | -1.3992 | |
| 420 | Q | A | -0.8832 | |
| 421 | Y | A | -0.1597 | |
| 422 | S | A | -0.5417 | |
| 423 | K | A | -0.9162 | |
| 424 | T | A | -0.9386 | |
| 425 | F | A | 0.0000 | |
| 426 | F | A | 0.0000 | |
| 427 | V | A | 0.0000 | |
| 428 | L | A | 0.0000 | |
| 429 | P | A | -0.4783 | |
| 430 | L | A | 0.0000 | |
| 431 | R | A | -1.5439 | |
| 432 | G | A | -1.0445 | |
| 433 | K | A | -0.7448 | |
| 434 | L | A | 0.0000 | |
| 435 | S | A | 0.0538 | |
| 436 | F | A | 0.0000 | |
| 437 | W | A | -0.5105 | |
| 438 | E | A | -1.0745 | |
| 439 | A | A | -0.7048 | |
| 440 | G | A | -0.8002 | |
| 441 | T | A | -0.8634 | |
| 442 | T | A | -0.9352 | |
| 443 | K | A | -1.6384 | |
| 444 | A | A | -0.6439 | |
| 445 | G | A | 0.0000 | |
| 446 | Y | A | 0.9861 | |
| 447 | P | A | 0.0000 | |
| 448 | Y | A | 1.2322 | |
| 449 | N | A | 0.4147 | |
| 450 | Y | A | 0.9204 | |
| 451 | N | A | -0.6713 | |
| 452 | T | A | -0.4156 | |
| 453 | T | A | -0.3396 | |
| 454 | A | A | -0.4767 | |
| 455 | S | A | -0.8366 | |
| 456 | D | A | 0.0000 | |
| 457 | Q | A | -0.8597 | |
| 458 | L | A | 0.0000 | |
| 459 | L | A | 0.0000 | |
| 460 | V | A | 0.0000 | |
| 461 | E | A | 0.0000 | |
| 462 | N | A | -1.5287 | |
| 463 | A | A | -0.8366 | |
| 464 | A | A | -0.7908 | |
| 465 | G | A | -1.4289 | |
| 466 | H | A | -1.6490 | |
| 467 | R | A | -1.6248 | |
| 468 | V | A | 0.0000 | |
| 469 | A | A | 0.0000 | |
| 470 | I | A | 0.0000 | |
| 471 | S | A | 0.3856 | |
| 472 | T | A | 0.0000 | |
| 473 | Y | A | 1.7667 | |
| 474 | T | A | 0.5822 | |
| 475 | T | A | -0.0106 | |
| 476 | S | A | -0.0113 | |
| 477 | L | A | 0.0000 | |
| 478 | G | A | -0.5931 | |
| 479 | A | A | -0.6186 | |
| 480 | G | A | -1.0484 | |
| 481 | P | A | -0.9021 | |
| 482 | V | A | 0.0000 | |
| 483 | S | A | -0.6138 | |
| 484 | I | A | 0.0000 | |
| 485 | S | A | 0.0000 | |
| 486 | A | A | 0.0000 | |
| 487 | V | A | 1.0029 | |
| 488 | A | A | 0.0000 | |
| 489 | V | A | -0.1958 | |
| 490 | L | A | 0.0000 | |
| 491 | A | A | -1.2058 | |
| 492 | P | A | -0.9520 | |
| 493 | H | A | -0.5543 | |
| 494 | S | A | 0.6365 | |
| 495 | V | A | 1.9589 | |
| 496 | L | A | 1.7839 | |
| 497 | A | A | 1.0148 |
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 |
|||
| VR250A | -0.7031 | -0.0173 | View | CSV | PDB |
| YR450A | -0.5325 | -0.0124 | View | CSV | PDB |
| VK250A | -0.4227 | -0.0131 | View | CSV | PDB |
| VR495A | -0.6726 | -0.0096 | View | CSV | PDB |
| VR392A | -0.4322 | -0.0107 | View | CSV | PDB |
| VK495A | -0.6375 | -0.0085 | View | CSV | PDB |
| VK392A | -0.4842 | -0.0079 | View | CSV | PDB |
| YR473A | -1.9487 | -0.0031 | View | CSV | PDB |
| ID20A | -0.3448 | -0.0083 | View | CSV | PDB |
| VE11A | -0.6932 | -0.0046 | View | CSV | PDB |
| IE20A | -0.0507 | -0.0084 | View | CSV | PDB |
| VD134A | -0.6089 | -0.004 | View | CSV | PDB |
| VK134A | -0.8157 | -0.0031 | View | CSV | PDB |
| VK11A | -0.4305 | -0.0039 | View | CSV | PDB |
| YR177A | -0.6276 | -0.003 | View | CSV | PDB |
| VE2A | -0.5815 | -0.0018 | View | CSV | PDB |
| YE177A | -0.4501 | -0.0019 | View | CSV | PDB |
| YK473A | -0.4115 | -0.0019 | View | CSV | PDB |
| VR2A | -0.1266 | -0.0019 | View | CSV | PDB |
| LR200A | 0.1136 | -0.0094 | View | CSV | PDB |
| LE200A | 0.1966 | -0.0129 | View | CSV | PDB |
| IR129A | 0.2663 | -0.0092 | View | CSV | PDB |
| IE63A | 0.0877 | -0.003 | View | CSV | PDB |
| TR474A | 0.1167 | -0.0022 | View | CSV | PDB |
| YK450A | 0.3862 | -0.0052 | View | CSV | PDB |
| IK129A | 0.4029 | -0.0053 | View | CSV | PDB |
| IR63A | 0.3696 | -0.002 | View | CSV | PDB |
| LE86A | 1.99 | -0.0062 | View | CSV | PDB |
| LR86A | 1.003 | -0.002 | View | CSV | PDB |
| LR496A | 0.5367 | -0.001 | View | CSV | PDB |
| LK496A | 0.5117 | -0.0008 | View | CSV | PDB |
| TD474A | -1.2543 | 0.0046 | View | CSV | PDB |
| YR448A | -0.7843 | 0.0039 | View | CSV | PDB |
| AR393A | -0.9468 | 0.0051 | View | CSV | PDB |
| AK393A | -0.7529 | 0.0049 | View | CSV | PDB |
| SK494A | -0.6173 | 0.0043 | View | CSV | PDB |
| SD416A | -1.8605 | 0.0131 | View | CSV | PDB |
| VR390A | -0.4811 | 0.0034 | View | CSV | PDB |
| SR494A | -0.681 | 0.005 | View | CSV | PDB |
| AR3A | -0.7948 | 0.0059 | View | CSV | PDB |
| SE416A | -1.61 | 0.0124 | View | CSV | PDB |
| NE449A | -1.3796 | 0.0119 | View | CSV | PDB |
| AD1A | -0.7741 | 0.0092 | View | CSV | PDB |
| AK3A | -0.5269 | 0.0066 | View | CSV | PDB |
| AR1A | -0.6636 | 0.009 | View | CSV | PDB |
| SR471A | -0.7662 | 0.0105 | View | CSV | PDB |
| SK471A | -0.9888 | 0.0137 | View | CSV | PDB |
| YR446A | -0.1894 | 0.0057 | View | CSV | PDB |
| NK449A | -0.0624 | 0.0057 | View | CSV | PDB |
| YK448A | -0.0534 | 0.0055 | View | CSV | PDB |
| AD497A | -0.0151 | 0.0087 | View | CSV | PDB |
| AE497A | -0.014 | 0.0086 | View | CSV | PDB |
| WK361A | 0.0378 | 0.0016 | View | CSV | PDB |
| VR359A | 0.2998 | 0.0011 | View | CSV | PDB |
| WE361A | 0.5314 | 0.0026 | View | CSV | PDB |
| VK359A | 0.0458 | 0.0058 | View | CSV | PDB |
| VK390A | 0.5133 | 0.0058 | View | CSV | PDB |
| VK487A | 0.2179 | 0.0082 | View | CSV | PDB |
| VR487A | 0.7023 | 0.0051 | View | CSV | PDB |
| YK446A | 0.4466 | 0.0088 | 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