| Chain sequence(s) |
A: MALISSCKKQRSNFFNHIYLIVILLSTFSHAQDYYVSNALGSDGNDGLETSPFQTINRAISEVEAGGTVYVMEGTYRNQNYGTVDVSNYINMNNPHVVTINKSGTAGAYITLKNYPGHTPIIQFDGRGGIVISNDMNYIIVEGFEVVGPAASITYAEAYANREYKVLAASDPDDDINYNHTYFSGKGIWGGYGAHHHIIIRNNIVHDTAGSGIRFNDSDHITIEYNEVYNTTWWTSSASSAVVYAQTIASSEADNGTDVKMVMRGNLVYNNWNRIPFYTTRLPDNSGNTNPNYGTADYNSIVDGQGLYVTRSDPSYNGTFLFENNVCVNNGKNGINFDNSLAASAIIRNNTLYFNGVHEYIQDLSVAEGNPSHRGQNVAGIKSNKVLNSTVVNNIVVTRPLEDAPSYYGDGFTSLQLNQVSNNRIANNNLFLNGSYALPATSENNIVNQDPLFVLSPSVVNGPIDISATDFSITPNSLAIDAGDPSYTPENDFLGNPRPTLPNAISFSSFENSTGGWSQFGSPTLTSTTANSKSGDYSLSVSNRTENWHSPKLALDNLMEVGQTYTFYVWVKLASGGAGNAQITIRNTTLNTYTSVTSSTAVNDQDWTLLNGDFTYPSSDLMFAYVKGPNVGDGVVSDFYIDDFTLVPQGSAEVDFSNIDNDDVVDIGAYEFINTTAGVWDNDTLNGQIFVYPNPAKNQITISKYTANDQIEVMDLLGKYYQLSNQENTLDKTLTLDVSSLSKGIYLVKIRNSYTNSFQTLKFLKH
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 (00:03:44)
[INFO] Auto_mut: Residue number 22 from chain A and a score of 5.408 (valine) selected for
automated muatation (00:03:51)
[INFO] Auto_mut: Residue number 23 from chain A and a score of 5.377 (isoleucine) selected
for automated muatation (00:03:51)
[INFO] Auto_mut: Residue number 21 from chain A and a score of 5.292 (isoleucine) selected
for automated muatation (00:03:51)
[INFO] Auto_mut: Residue number 24 from chain A and a score of 4.858 (leucine) selected for
automated muatation (00:03:51)
[INFO] Auto_mut: Residue number 20 from chain A and a score of 4.352 (leucine) selected for
automated muatation (00:03:51)
[INFO] Auto_mut: Residue number 25 from chain A and a score of 4.266 (leucine) selected for
automated muatation (00:03:51)
[INFO] Auto_mut: Residue number 19 from chain A and a score of 3.843 (tyrosine) selected for
automated muatation (00:03:51)
[INFO] Auto_mut: Residue number 18 from chain A and a score of 3.090 (isoleucine) selected
for automated muatation (00:03:51)
[INFO] Auto_mut: Residue number 3 from chain A and a score of 2.792 (leucine) selected for
automated muatation (00:03:51)
[INFO] Auto_mut: Residue number 4 from chain A and a score of 2.681 (isoleucine) selected
for automated muatation (00:03:51)
[INFO] Auto_mut: Residue number 26 from chain A and a score of 2.549 (serine) selected for
automated muatation (00:03:51)
[INFO] Auto_mut: Residue number 716 from chain A and a score of 2.262 (leucine) selected for
automated muatation (00:03:51)
[INFO] Auto_mut: Residue number 454 from chain A and a score of 2.071 (valine) selected for
automated muatation (00:03:51)
[INFO] Auto_mut: Residue number 1 from chain A and a score of 1.799 (methionine) selected
for automated muatation (00:03:51)
[INFO] Auto_mut: Residue number 2 from chain A and a score of 1.744 (alanine) selected for
automated muatation (00:03:51)
[INFO] Auto_mut: Residue number 717 from chain A and a score of 1.736 (leucine) selected for
automated muatation (00:03:51)
[INFO] Auto_mut: Residue number 455 from chain A and a score of 1.719 (leucine) selected for
automated muatation (00:03:51)
[INFO] Auto_mut: Residue number 28 from chain A and a score of 1.663 (phenylalanine)
selected for automated muatation (00:03:51)
[INFO] Auto_mut: Residue number 27 from chain A and a score of 1.531 (threonine) selected
for automated muatation (00:03:51)
[INFO] Auto_mut: Residue number 494 from chain A and a score of 1.523 (leucine) selected for
automated muatation (00:03:51)
[INFO] Auto_mut: Mutating residue number 22 from chain A (valine) into glutamic acid (00:03:51)
[INFO] Auto_mut: Mutating residue number 23 from chain A (isoleucine) into arginine (00:03:51)
[INFO] Auto_mut: Mutating residue number 24 from chain A (leucine) into aspartic acid (00:03:51)
[INFO] Auto_mut: Mutating residue number 22 from chain A (valine) into lysine (00:05:49)
[INFO] Auto_mut: Mutating residue number 24 from chain A (leucine) into arginine (00:05:50)
[INFO] Auto_mut: Mutating residue number 21 from chain A (isoleucine) into glutamic acid (00:05:52)
[INFO] Auto_mut: Mutating residue number 20 from chain A (leucine) into glutamic acid (00:07:53)
[INFO] Auto_mut: Mutating residue number 21 from chain A (isoleucine) into lysine (00:07:55)
[INFO] Auto_mut: Mutating residue number 22 from chain A (valine) into aspartic acid (00:08:00)
[INFO] Auto_mut: Mutating residue number 20 from chain A (leucine) into lysine (00:09:54)
[INFO] Auto_mut: Mutating residue number 22 from chain A (valine) into arginine (00:09:57)
[INFO] Auto_mut: Mutating residue number 21 from chain A (isoleucine) into aspartic acid (00:10:09)
[INFO] Auto_mut: Mutating residue number 23 from chain A (isoleucine) into glutamic acid (00:11:57)
[INFO] Auto_mut: Mutating residue number 20 from chain A (leucine) into aspartic acid (00:12:06)
[INFO] Auto_mut: Mutating residue number 21 from chain A (isoleucine) into arginine (00:12:09)
[INFO] Auto_mut: Mutating residue number 23 from chain A (isoleucine) into lysine (00:13:56)
[INFO] Auto_mut: Mutating residue number 20 from chain A (leucine) into arginine (00:14:06)
[INFO] Auto_mut: Mutating residue number 24 from chain A (leucine) into glutamic acid (00:14:15)
[INFO] Auto_mut: Mutating residue number 23 from chain A (isoleucine) into aspartic acid (00:16:09)
[INFO] Auto_mut: Mutating residue number 25 from chain A (leucine) into glutamic acid (00:16:10)
[INFO] Auto_mut: Mutating residue number 24 from chain A (leucine) into lysine (00:16:18)
[INFO] Auto_mut: Mutating residue number 25 from chain A (leucine) into lysine (00:18:06)
[INFO] Auto_mut: Mutating residue number 18 from chain A (isoleucine) into glutamic acid (00:18:09)
[INFO] Auto_mut: Mutating residue number 3 from chain A (leucine) into arginine (00:18:32)
[INFO] Auto_mut: Mutating residue number 18 from chain A (isoleucine) into lysine (00:20:13)
[INFO] Auto_mut: Mutating residue number 25 from chain A (leucine) into aspartic acid (00:20:17)
[INFO] Auto_mut: Mutating residue number 4 from chain A (isoleucine) into glutamic acid (00:20:33)
[INFO] Auto_mut: Mutating residue number 25 from chain A (leucine) into arginine (00:22:14)
[INFO] Auto_mut: Mutating residue number 18 from chain A (isoleucine) into aspartic acid (00:22:22)
[INFO] Auto_mut: Mutating residue number 4 from chain A (isoleucine) into lysine (00:22:32)
[INFO] Auto_mut: Mutating residue number 19 from chain A (tyrosine) into glutamic acid (00:24:18)
[INFO] Auto_mut: Mutating residue number 18 from chain A (isoleucine) into arginine (00:24:24)
[INFO] Auto_mut: Mutating residue number 4 from chain A (isoleucine) into aspartic acid (00:24:41)
[INFO] Auto_mut: Mutating residue number 19 from chain A (tyrosine) into lysine (00:26:18)
[INFO] Auto_mut: Mutating residue number 3 from chain A (leucine) into glutamic acid (00:26:27)
[INFO] Auto_mut: Mutating residue number 4 from chain A (isoleucine) into arginine (00:26:39)
[INFO] Auto_mut: Mutating residue number 3 from chain A (leucine) into lysine (00:28:25)
[INFO] Auto_mut: Mutating residue number 19 from chain A (tyrosine) into aspartic acid (00:28:25)
[INFO] Auto_mut: Mutating residue number 26 from chain A (serine) into glutamic acid (00:28:38)
[INFO] Auto_mut: Mutating residue number 19 from chain A (tyrosine) into arginine (00:30:24)
[INFO] Auto_mut: Mutating residue number 3 from chain A (leucine) into aspartic acid (00:30:26)
[INFO] Auto_mut: Mutating residue number 26 from chain A (serine) into lysine (00:30:37)
[INFO] Auto_mut: Mutating residue number 26 from chain A (serine) into aspartic acid (00:32:25)
[INFO] Auto_mut: Mutating residue number 454 from chain A (valine) into lysine (00:32:30)
[INFO] Auto_mut: Mutating residue number 2 from chain A (alanine) into glutamic acid (00:32:39)
[INFO] Auto_mut: Mutating residue number 26 from chain A (serine) into arginine (00:34:26)
[INFO] Auto_mut: Mutating residue number 2 from chain A (alanine) into lysine (00:34:37)
[INFO] Auto_mut: Mutating residue number 454 from chain A (valine) into aspartic acid (00:34:46)
[INFO] Auto_mut: Mutating residue number 716 from chain A (leucine) into glutamic acid (00:36:27)
[INFO] Auto_mut: Mutating residue number 2 from chain A (alanine) into aspartic acid (00:36:41)
[INFO] Auto_mut: Mutating residue number 454 from chain A (valine) into arginine (00:36:45)
[INFO] Auto_mut: Mutating residue number 716 from chain A (leucine) into lysine (00:38:33)
[INFO] Auto_mut: Mutating residue number 2 from chain A (alanine) into arginine (00:38:40)
[INFO] Auto_mut: Mutating residue number 1 from chain A (methionine) into glutamic acid (00:38:54)
[INFO] Auto_mut: Mutating residue number 716 from chain A (leucine) into aspartic acid (00:40:35)
[INFO] Auto_mut: Mutating residue number 717 from chain A (leucine) into glutamic acid (00:40:41)
[INFO] Auto_mut: Mutating residue number 1 from chain A (methionine) into lysine (00:40:51)
[INFO] Auto_mut: Mutating residue number 716 from chain A (leucine) into arginine (00:42:39)
[INFO] Auto_mut: Mutating residue number 717 from chain A (leucine) into lysine (00:42:40)
[INFO] Auto_mut: Mutating residue number 1 from chain A (methionine) into aspartic acid (00:42:56)
[INFO] Auto_mut: Mutating residue number 454 from chain A (valine) into glutamic acid (00:44:39)
[INFO] Auto_mut: Mutating residue number 717 from chain A (leucine) into aspartic acid (00:44:43)
[INFO] Auto_mut: Mutating residue number 1 from chain A (methionine) into arginine (00:44:53)
[INFO] Auto_mut: Mutating residue number 717 from chain A (leucine) into arginine (00:46:40)
[INFO] Auto_mut: Mutating residue number 28 from chain A (phenylalanine) into aspartic acid
Mutating residue number 28 from chain A (phenylalanine) into aspartic acid (00:46:42)
[INFO] Auto_mut: Mutating residue number 494 from chain A (leucine) into lysine (00:46:53)
[INFO] Auto_mut: Mutating residue number 28 from chain A (phenylalanine) into arginine (00:48:41)
[INFO] Auto_mut: Mutating residue number 455 from chain A (leucine) into glutamic acid (00:48:48)
[INFO] Auto_mut: Mutating residue number 494 from chain A (leucine) into aspartic acid (00:49:15)
[INFO] Auto_mut: Mutating residue number 27 from chain A (threonine) into glutamic acid (00:50:44)
[INFO] Auto_mut: Mutating residue number 455 from chain A (leucine) into lysine (00:50:48)
[INFO] Auto_mut: Mutating residue number 494 from chain A (leucine) into arginine (00:51:16)
[INFO] Auto_mut: Mutating residue number 27 from chain A (threonine) into lysine (00:52:43)
[INFO] Auto_mut: Mutating residue number 455 from chain A (leucine) into aspartic acid (00:52:53)
[INFO] Auto_mut: Mutating residue number 27 from chain A (threonine) into aspartic acid (00:54:45)
[INFO] Auto_mut: Mutating residue number 455 from chain A (leucine) into arginine (00:54:55)
[INFO] Auto_mut: Mutating residue number 27 from chain A (threonine) into arginine (00:56:41)
[INFO] Auto_mut: Mutating residue number 28 from chain A (phenylalanine) into glutamic acid
Mutating residue number 28 from chain A (phenylalanine) into glutamic acid (00:56:57)
[INFO] Auto_mut: Mutating residue number 494 from chain A (leucine) into glutamic acid (00:58:40)
[INFO] Auto_mut: Mutating residue number 28 from chain A (phenylalanine) into lysine (00:58:59)
[INFO] Auto_mut: Effect of mutation residue number 22 from chain A (valine) into glutamic
acid: Energy difference: -0.1073 kcal/mol, Difference in average score from
the base case: -0.0248 (01:01:08)
[INFO] Auto_mut: Effect of mutation residue number 22 from chain A (valine) into lysine:
Energy difference: -0.8010 kcal/mol, Difference in average score from the
base case: -0.0222 (01:01:08)
[INFO] Auto_mut: Effect of mutation residue number 22 from chain A (valine) into aspartic
acid: Energy difference: 0.5209 kcal/mol, Difference in average score from
the base case: -0.0213 (01:01:08)
[INFO] Auto_mut: Effect of mutation residue number 22 from chain A (valine) into arginine:
Energy difference: -0.3291 kcal/mol, Difference in average score from the
base case: -0.0210 (01:01:08)
[INFO] Auto_mut: Effect of mutation residue number 23 from chain A (isoleucine) into
glutamic acid: Energy difference: 1.0729 kcal/mol, Difference in average
score from the base case: -0.0213 (01:01:08)
[INFO] Auto_mut: Effect of mutation residue number 23 from chain A (isoleucine) into lysine:
Energy difference: 0.3670 kcal/mol, Difference in average score from the
base case: -0.0195 (01:01:08)
[INFO] Auto_mut: Effect of mutation residue number 23 from chain A (isoleucine) into
aspartic acid: Energy difference: 1.4793 kcal/mol, Difference in average
score from the base case: -0.0181 (01:01:08)
[INFO] Auto_mut: Effect of mutation residue number 23 from chain A (isoleucine) into
arginine: Energy difference: 0.3541 kcal/mol, Difference in average score
from the base case: -0.0193 (01:01:08)
[INFO] Auto_mut: Effect of mutation residue number 21 from chain A (isoleucine) into
glutamic acid: Energy difference: 0.2980 kcal/mol, Difference in average
score from the base case: -0.0225 (01:01:08)
[INFO] Auto_mut: Effect of mutation residue number 21 from chain A (isoleucine) into lysine:
Energy difference: -0.2387 kcal/mol, Difference in average score from the
base case: -0.0233 (01:01:08)
[INFO] Auto_mut: Effect of mutation residue number 21 from chain A (isoleucine) into
aspartic acid: Energy difference: 0.7196 kcal/mol, Difference in average
score from the base case: -0.0201 (01:01:08)
[INFO] Auto_mut: Effect of mutation residue number 21 from chain A (isoleucine) into
arginine: Energy difference: 0.2191 kcal/mol, Difference in average score
from the base case: -0.0246 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 24 from chain A (leucine) into glutamic
acid: Energy difference: 1.1380 kcal/mol, Difference in average score from
the base case: -0.0168 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 24 from chain A (leucine) into lysine:
Energy difference: 0.0323 kcal/mol, Difference in average score from the
base case: -0.0177 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 24 from chain A (leucine) into aspartic
acid: Energy difference: 1.5273 kcal/mol, Difference in average score from
the base case: -0.0145 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 24 from chain A (leucine) into arginine:
Energy difference: 0.1761 kcal/mol, Difference in average score from the
base case: -0.0188 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 20 from chain A (leucine) into glutamic
acid: Energy difference: 0.9871 kcal/mol, Difference in average score from
the base case: -0.0182 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 20 from chain A (leucine) into lysine:
Energy difference: -0.1061 kcal/mol, Difference in average score from the
base case: -0.0122 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 20 from chain A (leucine) into aspartic
acid: Energy difference: 1.5504 kcal/mol, Difference in average score from
the base case: -0.0172 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 20 from chain A (leucine) into arginine:
Energy difference: 0.0687 kcal/mol, Difference in average score from the
base case: -0.0138 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 25 from chain A (leucine) into glutamic
acid: Energy difference: 0.4198 kcal/mol, Difference in average score from
the base case: -0.0181 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 25 from chain A (leucine) into lysine:
Energy difference: -0.2095 kcal/mol, Difference in average score from the
base case: -0.0183 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 25 from chain A (leucine) into aspartic
acid: Energy difference: 0.4647 kcal/mol, Difference in average score from
the base case: -0.0172 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 25 from chain A (leucine) into arginine:
Energy difference: -0.7175 kcal/mol, Difference in average score from the
base case: -0.0211 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 19 from chain A (tyrosine) into glutamic
acid: Energy difference: 0.4816 kcal/mol, Difference in average score from
the base case: -0.0160 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 19 from chain A (tyrosine) into lysine:
Energy difference: -0.4831 kcal/mol, Difference in average score from the
base case: -0.0100 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 19 from chain A (tyrosine) into aspartic
acid: Energy difference: 0.9723 kcal/mol, Difference in average score from
the base case: -0.0146 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 19 from chain A (tyrosine) into arginine:
Energy difference: 0.0773 kcal/mol, Difference in average score from the
base case: -0.0127 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 18 from chain A (isoleucine) into
glutamic acid: Energy difference: 0.5655 kcal/mol, Difference in average
score from the base case: -0.0187 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 18 from chain A (isoleucine) into lysine:
Energy difference: 0.4028 kcal/mol, Difference in average score from the
base case: -0.0163 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 18 from chain A (isoleucine) into
aspartic acid: Energy difference: 1.0431 kcal/mol, Difference in average
score from the base case: -0.0168 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 18 from chain A (isoleucine) into
arginine: Energy difference: 0.8826 kcal/mol, Difference in average score
from the base case: -0.0197 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 3 from chain A (leucine) into glutamic
acid: Energy difference: -0.1987 kcal/mol, Difference in average score from
the base case: -0.0153 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 3 from chain A (leucine) into lysine:
Energy difference: -0.5512 kcal/mol, Difference in average score from the
base case: -0.0144 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 3 from chain A (leucine) into aspartic
acid: Energy difference: -0.0833 kcal/mol, Difference in average score from
the base case: -0.0144 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 3 from chain A (leucine) into arginine:
Energy difference: -0.8116 kcal/mol, Difference in average score from the
base case: -0.0149 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 4 from chain A (isoleucine) into glutamic
acid: Energy difference: -0.2809 kcal/mol, Difference in average score from
the base case: -0.0169 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 4 from chain A (isoleucine) into lysine:
Energy difference: -0.2299 kcal/mol, Difference in average score from the
base case: -0.0160 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 4 from chain A (isoleucine) into aspartic
acid: Energy difference: -0.1003 kcal/mol, Difference in average score from
the base case: -0.0159 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 4 from chain A (isoleucine) into
arginine: Energy difference: -0.2892 kcal/mol, Difference in average score
from the base case: -0.0164 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 26 from chain A (serine) into glutamic
acid: Energy difference: -0.0522 kcal/mol, Difference in average score from
the base case: -0.0083 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 26 from chain A (serine) into lysine:
Energy difference: -0.7543 kcal/mol, Difference in average score from the
base case: -0.0098 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 26 from chain A (serine) into aspartic
acid: Energy difference: -0.2159 kcal/mol, Difference in average score from
the base case: -0.0073 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 26 from chain A (serine) into arginine:
Energy difference: 0.9091 kcal/mol, Difference in average score from the
base case: -0.0106 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 716 from chain A (leucine) into glutamic
acid: Energy difference: 0.5475 kcal/mol, Difference in average score from
the base case: -0.0140 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 716 from chain A (leucine) into lysine:
Energy difference: 0.2932 kcal/mol, Difference in average score from the
base case: -0.0153 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 716 from chain A (leucine) into aspartic
acid: Energy difference: 0.9913 kcal/mol, Difference in average score from
the base case: -0.0140 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 716 from chain A (leucine) into arginine:
Energy difference: 0.6245 kcal/mol, Difference in average score from the
base case: -0.0156 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 454 from chain A (valine) into glutamic
acid: Energy difference: 0.3271 kcal/mol, Difference in average score from
the base case: -0.0181 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 454 from chain A (valine) into lysine:
Energy difference: -1.0285 kcal/mol, Difference in average score from the
base case: -0.0162 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 454 from chain A (valine) into aspartic
acid: Energy difference: 0.9715 kcal/mol, Difference in average score from
the base case: -0.0182 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 454 from chain A (valine) into arginine:
Energy difference: -1.7723 kcal/mol, Difference in average score from the
base case: -0.0172 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 1 from chain A (methionine) into glutamic
acid: Energy difference: 0.7201 kcal/mol, Difference in average score from
the base case: -0.0117 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 1 from chain A (methionine) into lysine:
Energy difference: 0.4392 kcal/mol, Difference in average score from the
base case: -0.0103 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 1 from chain A (methionine) into aspartic
acid: Energy difference: 0.6464 kcal/mol, Difference in average score from
the base case: -0.0084 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 1 from chain A (methionine) into
arginine: Energy difference: 0.5683 kcal/mol, Difference in average score
from the base case: -0.0133 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 2 from chain A (alanine) into glutamic
acid: Energy difference: -0.1842 kcal/mol, Difference in average score from
the base case: -0.0084 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 2 from chain A (alanine) into lysine:
Energy difference: -0.3630 kcal/mol, Difference in average score from the
base case: -0.0081 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 2 from chain A (alanine) into aspartic
acid: Energy difference: -0.1778 kcal/mol, Difference in average score from
the base case: -0.0074 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 2 from chain A (alanine) into arginine:
Energy difference: -0.1165 kcal/mol, Difference in average score from the
base case: -0.0079 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 717 from chain A (leucine) into glutamic
acid: Energy difference: 0.4136 kcal/mol, Difference in average score from
the base case: -0.0141 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 717 from chain A (leucine) into lysine:
Energy difference: -0.1912 kcal/mol, Difference in average score from the
base case: -0.0133 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 717 from chain A (leucine) into aspartic
acid: Energy difference: 0.3404 kcal/mol, Difference in average score from
the base case: -0.0145 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 717 from chain A (leucine) into arginine:
Energy difference: -0.4595 kcal/mol, Difference in average score from the
base case: -0.0135 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 455 from chain A (leucine) into glutamic
acid: Energy difference: 1.1486 kcal/mol, Difference in average score from
the base case: -0.0209 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 455 from chain A (leucine) into lysine:
Energy difference: -0.2658 kcal/mol, Difference in average score from the
base case: -0.0147 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 455 from chain A (leucine) into aspartic
acid: Energy difference: 0.7027 kcal/mol, Difference in average score from
the base case: -0.0200 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 455 from chain A (leucine) into arginine:
Energy difference: -0.3679 kcal/mol, Difference in average score from the
base case: -0.0228 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 28 from chain A (phenylalanine) into
glutamic acid: Energy difference: 1.6758 kcal/mol, Difference in average
score from the base case: -0.0164 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 28 from chain A (phenylalanine) into
lysine: Energy difference: 0.3121 kcal/mol, Difference in average score
from the base case: -0.0161 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 28 from chain A (phenylalanine) into
aspartic acid: Energy difference: 0.3653 kcal/mol, Difference in average
score from the base case: -0.0154 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 28 from chain A (phenylalanine) into
arginine: Energy difference: 1.6865 kcal/mol, Difference in average score
from the base case: -0.0160 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 27 from chain A (threonine) into glutamic
acid: Energy difference: -0.3614 kcal/mol, Difference in average score from
the base case: -0.0087 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 27 from chain A (threonine) into lysine:
Energy difference: -0.7256 kcal/mol, Difference in average score from the
base case: -0.0081 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 27 from chain A (threonine) into aspartic
acid: Energy difference: -0.5159 kcal/mol, Difference in average score from
the base case: -0.0083 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 27 from chain A (threonine) into
arginine: Energy difference: -1.0944 kcal/mol, Difference in average score
from the base case: -0.0086 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 494 from chain A (leucine) into glutamic
acid: Energy difference: 1.4644 kcal/mol, Difference in average score from
the base case: -0.0157 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 494 from chain A (leucine) into lysine:
Energy difference: 0.3467 kcal/mol, Difference in average score from the
base case: -0.0161 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 494 from chain A (leucine) into aspartic
acid: Energy difference: 1.4127 kcal/mol, Difference in average score from
the base case: -0.0134 (01:01:09)
[INFO] Auto_mut: Effect of mutation residue number 494 from chain A (leucine) into arginine:
Energy difference: 0.1718 kcal/mol, Difference in average score from the
base case: -0.0181 (01:01:09)
[INFO] Main: Simulation completed successfully. (01:01:46)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 1 | M | A | 1.7987 | |
| 2 | A | A | 1.7440 | |
| 3 | L | A | 2.7919 | |
| 4 | I | A | 2.6814 | |
| 5 | S | A | 0.5620 | |
| 6 | S | A | -0.2113 | |
| 7 | C | A | -0.7729 | |
| 8 | K | A | -3.0613 | |
| 9 | K | A | -3.6295 | |
| 10 | Q | A | -3.1126 | |
| 11 | R | A | -3.0648 | |
| 12 | S | A | -2.4168 | |
| 13 | N | A | -2.0879 | |
| 14 | F | A | 0.2944 | |
| 15 | F | A | 0.9071 | |
| 16 | N | A | 0.1030 | |
| 17 | H | A | 1.2856 | |
| 18 | I | A | 3.0902 | |
| 19 | Y | A | 3.8430 | |
| 20 | L | A | 4.3521 | |
| 21 | I | A | 5.2922 | |
| 22 | V | A | 5.4082 | |
| 23 | I | A | 5.3768 | |
| 24 | L | A | 4.8584 | |
| 25 | L | A | 4.2664 | |
| 26 | S | A | 2.5493 | |
| 27 | T | A | 1.5311 | |
| 28 | F | A | 1.6627 | |
| 29 | S | A | -0.1715 | |
| 30 | H | A | -0.8073 | |
| 31 | A | A | -1.2182 | |
| 32 | Q | A | -1.7585 | |
| 33 | D | A | -1.1719 | |
| 34 | Y | A | -0.5836 | |
| 35 | Y | A | -0.2126 | |
| 36 | V | A | 0.0000 | |
| 37 | S | A | 0.0000 | |
| 38 | N | A | -0.9484 | |
| 39 | A | A | 0.0745 | |
| 40 | L | A | 1.0961 | |
| 41 | G | A | -0.3385 | |
| 42 | S | A | -1.1332 | |
| 43 | D | A | -1.9067 | |
| 44 | G | A | -1.6455 | |
| 45 | N | A | -1.8090 | |
| 46 | D | A | -2.1892 | |
| 47 | G | A | 0.0000 | |
| 48 | L | A | -0.3495 | |
| 49 | E | A | -0.7439 | |
| 50 | T | A | -0.3918 | |
| 51 | S | A | -0.6087 | |
| 52 | P | A | 0.0000 | |
| 53 | F | A | 0.0000 | |
| 54 | Q | A | -1.0539 | |
| 55 | T | A | -1.2316 | |
| 56 | I | A | 0.0000 | |
| 57 | N | A | -1.4430 | |
| 58 | R | A | -1.5757 | |
| 59 | A | A | 0.0000 | |
| 60 | I | A | 0.0000 | |
| 61 | S | A | -1.4924 | |
| 62 | E | A | -1.9537 | |
| 63 | V | A | 0.0000 | |
| 64 | E | A | -2.3869 | |
| 65 | A | A | -1.2112 | |
| 66 | G | A | -0.9750 | |
| 67 | G | A | 0.0000 | |
| 68 | T | A | -0.5626 | |
| 69 | V | A | 0.0000 | |
| 70 | Y | A | -0.0055 | |
| 71 | V | A | 0.0000 | |
| 72 | M | A | 0.0000 | |
| 73 | E | A | -2.0303 | |
| 74 | G | A | -1.2430 | |
| 75 | T | A | -0.8630 | |
| 76 | Y | A | 0.0000 | |
| 77 | R | A | -2.2807 | |
| 78 | N | A | 0.0000 | |
| 79 | Q | A | -1.9817 | |
| 80 | N | A | -1.6694 | |
| 81 | Y | A | -1.0856 | |
| 82 | G | A | -0.9043 | |
| 83 | T | A | -0.3126 | |
| 84 | V | A | 0.0040 | |
| 85 | D | A | -0.2408 | |
| 86 | V | A | -0.0927 | |
| 87 | S | A | -0.5356 | |
| 88 | N | A | -0.7797 | |
| 89 | Y | A | 0.2306 | |
| 90 | I | A | 1.1030 | |
| 91 | N | A | -0.1734 | |
| 92 | M | A | 0.0000 | |
| 93 | N | A | -0.9060 | |
| 94 | N | A | 0.0000 | |
| 95 | P | A | -1.2256 | |
| 96 | H | A | -1.0735 | |
| 97 | V | A | 0.0000 | |
| 98 | V | A | 0.0000 | |
| 99 | T | A | -0.7291 | |
| 100 | I | A | 0.0000 | |
| 101 | N | A | -2.0410 | |
| 102 | K | A | -1.8309 | |
| 103 | S | A | -1.0942 | |
| 104 | G | A | -0.4818 | |
| 105 | T | A | -0.3102 | |
| 106 | A | A | -0.1667 | |
| 107 | G | A | -0.3828 | |
| 108 | A | A | -0.3668 | |
| 109 | Y | A | -0.0405 | |
| 110 | I | A | 0.0000 | |
| 111 | T | A | -0.1010 | |
| 112 | L | A | 0.0000 | |
| 113 | K | A | -0.4108 | |
| 114 | N | A | -0.5530 | |
| 115 | Y | A | -0.5020 | |
| 116 | P | A | -0.6392 | |
| 117 | G | A | -1.0535 | |
| 118 | H | A | -1.0627 | |
| 119 | T | A | -0.7354 | |
| 120 | P | A | 0.0000 | |
| 121 | I | A | -0.2527 | |
| 122 | I | A | 0.0000 | |
| 123 | Q | A | -0.6964 | |
| 124 | F | A | 0.0000 | |
| 125 | D | A | 0.0000 | |
| 126 | G | A | 0.0000 | |
| 127 | R | A | -1.3684 | |
| 128 | G | A | 0.0000 | |
| 129 | G | A | 0.0000 | |
| 130 | I | A | 0.0000 | |
| 131 | V | A | 0.0000 | |
| 132 | I | A | 0.0000 | |
| 133 | S | A | -1.4208 | |
| 134 | N | A | -2.1706 | |
| 135 | D | A | -2.5450 | |
| 136 | M | A | -1.6457 | |
| 137 | N | A | -0.8640 | |
| 138 | Y | A | 0.0721 | |
| 139 | I | A | 0.0000 | |
| 140 | I | A | 0.3979 | |
| 141 | V | A | 0.0000 | |
| 142 | E | A | 0.0000 | |
| 143 | G | A | -0.2553 | |
| 144 | F | A | 0.0000 | |
| 145 | E | A | -0.0861 | |
| 146 | V | A | 0.0000 | |
| 147 | V | A | -0.0975 | |
| 148 | G | A | -0.2653 | |
| 149 | P | A | 0.0000 | |
| 150 | A | A | 0.0000 | |
| 151 | A | A | -0.1256 | |
| 152 | S | A | -0.2319 | |
| 153 | I | A | 0.0000 | |
| 154 | T | A | -0.1383 | |
| 155 | Y | A | -0.2198 | |
| 156 | A | A | -0.0747 | |
| 157 | E | A | -0.5039 | |
| 158 | A | A | 0.0000 | |
| 159 | Y | A | -0.1884 | |
| 160 | A | A | -0.3828 | |
| 161 | N | A | 0.0000 | |
| 162 | R | A | 0.0000 | |
| 163 | E | A | -0.8897 | |
| 164 | Y | A | 0.1887 | |
| 165 | K | A | -0.1230 | |
| 166 | V | A | 0.0487 | |
| 167 | L | A | 0.8585 | |
| 168 | A | A | -0.6959 | |
| 169 | A | A | -0.4891 | |
| 170 | S | A | -0.3053 | |
| 171 | D | A | -1.7255 | |
| 172 | P | A | -2.0941 | |
| 173 | D | A | -3.5874 | |
| 174 | D | A | -3.7574 | |
| 175 | D | A | -3.3495 | |
| 176 | I | A | -1.9523 | |
| 177 | N | A | -2.2458 | |
| 178 | Y | A | -0.6453 | |
| 179 | N | A | -1.3429 | |
| 180 | H | A | 0.0000 | |
| 181 | T | A | -0.8555 | |
| 182 | Y | A | 0.0000 | |
| 183 | F | A | 0.0000 | |
| 184 | S | A | -0.4277 | |
| 185 | G | A | 0.0000 | |
| 186 | K | A | 0.0000 | |
| 187 | G | A | 0.0000 | |
| 188 | I | A | 0.0000 | |
| 189 | W | A | 0.0000 | |
| 190 | G | A | 0.0000 | |
| 191 | G | A | -0.0338 | |
| 192 | Y | A | 0.6233 | |
| 193 | G | A | -0.5670 | |
| 194 | A | A | -0.7789 | |
| 195 | H | A | 0.0000 | |
| 196 | H | A | -0.5760 | |
| 197 | H | A | -0.1734 | |
| 198 | I | A | 0.0000 | |
| 199 | I | A | 0.3568 | |
| 200 | I | A | 0.0000 | |
| 201 | R | A | -0.3576 | |
| 202 | N | A | -0.4869 | |
| 203 | N | A | 0.0000 | |
| 204 | I | A | 0.2497 | |
| 205 | V | A | 0.0000 | |
| 206 | H | A | -0.1533 | |
| 207 | D | A | -0.2534 | |
| 208 | T | A | 0.0000 | |
| 209 | A | A | 0.0000 | |
| 210 | G | A | 0.0000 | |
| 211 | S | A | 0.0000 | |
| 212 | G | A | 0.0000 | |
| 213 | I | A | 0.0000 | |
| 214 | R | A | -0.0607 | |
| 215 | F | A | 0.0000 | |
| 216 | N | A | 0.0000 | |
| 217 | D | A | -0.4285 | |
| 218 | S | A | 0.0000 | |
| 219 | D | A | 0.0000 | |
| 220 | H | A | -0.1599 | |
| 221 | I | A | 0.0000 | |
| 222 | T | A | -0.0388 | |
| 223 | I | A | 0.0000 | |
| 224 | E | A | -0.2415 | |
| 225 | Y | A | 0.2581 | |
| 226 | N | A | 0.0000 | |
| 227 | E | A | -0.1384 | |
| 228 | V | A | 0.0000 | |
| 229 | Y | A | 0.0589 | |
| 230 | N | A | -0.1974 | |
| 231 | T | A | 0.0000 | |
| 232 | T | A | 0.0000 | |
| 233 | W | A | -0.0374 | |
| 234 | W | A | 0.0000 | |
| 235 | T | A | 0.0000 | |
| 236 | S | A | 0.0000 | |
| 237 | S | A | -0.1305 | |
| 238 | A | A | 0.0000 | |
| 239 | S | A | 0.0000 | |
| 240 | S | A | 0.0000 | |
| 241 | A | A | 0.0000 | |
| 242 | V | A | 0.0000 | |
| 243 | V | A | 0.0000 | |
| 244 | Y | A | 0.0000 | |
| 245 | A | A | 0.0000 | |
| 246 | Q | A | -0.6167 | |
| 247 | T | A | 0.0000 | |
| 248 | I | A | -0.0210 | |
| 249 | A | A | -0.6254 | |
| 250 | S | A | -0.6107 | |
| 251 | S | A | -1.1755 | |
| 252 | E | A | -2.0753 | |
| 253 | A | A | -1.2278 | |
| 254 | D | A | -1.6009 | |
| 255 | N | A | -1.5525 | |
| 256 | G | A | -1.3867 | |
| 257 | T | A | -1.1742 | |
| 258 | D | A | -1.7599 | |
| 259 | V | A | -0.3436 | |
| 260 | K | A | 0.0000 | |
| 261 | M | A | 0.0000 | |
| 262 | V | A | 0.0000 | |
| 263 | M | A | 0.0000 | |
| 264 | R | A | -0.2760 | |
| 265 | G | A | 0.0000 | |
| 266 | N | A | 0.0000 | |
| 267 | L | A | 0.2784 | |
| 268 | V | A | 0.0000 | |
| 269 | Y | A | 0.0000 | |
| 270 | N | A | 0.0000 | |
| 271 | N | A | 0.0000 | |
| 272 | W | A | 0.0000 | |
| 273 | N | A | 0.0000 | |
| 274 | R | A | -0.3632 | |
| 275 | I | A | 0.0000 | |
| 276 | P | A | 0.0000 | |
| 277 | F | A | 0.0000 | |
| 278 | Y | A | 0.0000 | |
| 279 | T | A | -0.4955 | |
| 280 | T | A | -0.8686 | |
| 281 | R | A | -1.9088 | |
| 282 | L | A | -1.1697 | |
| 283 | P | A | -1.5903 | |
| 284 | D | A | -2.4837 | |
| 285 | N | A | -2.0781 | |
| 286 | S | A | -1.3361 | |
| 287 | G | A | -1.5339 | |
| 288 | N | A | -1.5136 | |
| 289 | T | A | -1.1304 | |
| 290 | N | A | -1.6402 | |
| 291 | P | A | -1.2610 | |
| 292 | N | A | -1.8881 | |
| 293 | Y | A | -1.0811 | |
| 294 | G | A | 0.0000 | |
| 295 | T | A | -1.1472 | |
| 296 | A | A | -1.1698 | |
| 297 | D | A | -2.2006 | |
| 298 | Y | A | -1.6000 | |
| 299 | N | A | -2.1017 | |
| 300 | S | A | -1.4276 | |
| 301 | I | A | 0.0000 | |
| 302 | V | A | -0.3450 | |
| 303 | D | A | 0.0000 | |
| 304 | G | A | 0.0000 | |
| 305 | Q | A | 0.0000 | |
| 306 | G | A | 0.0000 | |
| 307 | L | A | 0.0000 | |
| 308 | Y | A | 0.0000 | |
| 309 | V | A | 0.0000 | |
| 310 | T | A | 0.0000 | |
| 311 | R | A | -1.2146 | |
| 312 | S | A | 0.0000 | |
| 313 | D | A | -0.9590 | |
| 314 | P | A | -0.5990 | |
| 315 | S | A | -0.6171 | |
| 316 | Y | A | 0.0000 | |
| 317 | N | A | -0.7868 | |
| 318 | G | A | 0.0000 | |
| 319 | T | A | 0.0000 | |
| 320 | F | A | 0.0000 | |
| 321 | L | A | 0.0000 | |
| 322 | F | A | 0.0000 | |
| 323 | E | A | 0.0000 | |
| 324 | N | A | 0.0000 | |
| 325 | N | A | 0.0000 | |
| 326 | V | A | 0.0000 | |
| 327 | C | A | 0.0000 | |
| 328 | V | A | 0.0000 | |
| 329 | N | A | 0.0000 | |
| 330 | N | A | 0.0000 | |
| 331 | G | A | 0.0000 | |
| 332 | K | A | 0.0000 | |
| 333 | N | A | 0.0000 | |
| 334 | G | A | 0.0000 | |
| 335 | I | A | 0.0000 | |
| 336 | N | A | 0.0000 | |
| 337 | F | A | 0.0000 | |
| 338 | D | A | -0.7686 | |
| 339 | N | A | -0.8872 | |
| 340 | S | A | 0.0000 | |
| 341 | L | A | 0.0358 | |
| 342 | A | A | -0.1816 | |
| 343 | A | A | 0.0000 | |
| 344 | S | A | -0.3320 | |
| 345 | A | A | 0.0000 | |
| 346 | I | A | 0.3747 | |
| 347 | I | A | 0.0000 | |
| 348 | R | A | -0.2217 | |
| 349 | N | A | 0.0000 | |
| 350 | N | A | 0.0000 | |
| 351 | T | A | 0.0000 | |
| 352 | L | A | 0.0000 | |
| 353 | Y | A | 0.0000 | |
| 354 | F | A | 0.0000 | |
| 355 | N | A | 0.0000 | |
| 356 | G | A | 0.0000 | |
| 357 | V | A | 0.0000 | |
| 358 | H | A | 0.0000 | |
| 359 | E | A | 0.0000 | |
| 360 | Y | A | -0.8660 | |
| 361 | I | A | 0.0000 | |
| 362 | Q | A | 0.0000 | |
| 363 | D | A | -1.7810 | |
| 364 | L | A | -0.6958 | |
| 365 | S | A | -0.6454 | |
| 366 | V | A | -0.1471 | |
| 367 | A | A | -0.7399 | |
| 368 | E | A | -1.7975 | |
| 369 | G | A | -1.1432 | |
| 370 | N | A | -0.6985 | |
| 371 | P | A | -0.8584 | |
| 372 | S | A | -1.0088 | |
| 373 | H | A | 0.0000 | |
| 374 | R | A | -2.4081 | |
| 375 | G | A | -1.6373 | |
| 376 | Q | A | -1.6257 | |
| 377 | N | A | -1.0974 | |
| 378 | V | A | 0.0000 | |
| 379 | A | A | 0.0000 | |
| 380 | G | A | 0.0000 | |
| 381 | I | A | 0.0000 | |
| 382 | K | A | -0.6967 | |
| 383 | S | A | 0.0000 | |
| 384 | N | A | -1.3605 | |
| 385 | K | A | -1.2666 | |
| 386 | V | A | 0.0000 | |
| 387 | L | A | -0.6813 | |
| 388 | N | A | -1.2402 | |
| 389 | S | A | 0.0000 | |
| 390 | T | A | 0.0000 | |
| 391 | V | A | 0.0000 | |
| 392 | V | A | 0.0000 | |
| 393 | N | A | 0.0000 | |
| 394 | N | A | 0.0000 | |
| 395 | I | A | 0.0000 | |
| 396 | V | A | 0.0000 | |
| 397 | V | A | 0.0000 | |
| 398 | T | A | 0.0000 | |
| 399 | R | A | 0.0000 | |
| 400 | P | A | -0.2630 | |
| 401 | L | A | -0.2066 | |
| 402 | E | A | -1.5739 | |
| 403 | D | A | -1.1224 | |
| 404 | A | A | -0.7015 | |
| 405 | P | A | -0.3086 | |
| 406 | S | A | -0.2093 | |
| 407 | Y | A | 0.6125 | |
| 408 | Y | A | -0.1720 | |
| 409 | G | A | -0.7306 | |
| 410 | D | A | -1.6040 | |
| 411 | G | A | 0.0000 | |
| 412 | F | A | 0.0000 | |
| 413 | T | A | 0.0000 | |
| 414 | S | A | 0.0000 | |
| 415 | L | A | 0.0000 | |
| 416 | Q | A | -0.6422 | |
| 417 | L | A | 0.0000 | |
| 418 | N | A | -2.0157 | |
| 419 | Q | A | -2.2519 | |
| 420 | V | A | 0.0000 | |
| 421 | S | A | -1.6724 | |
| 422 | N | A | -2.3130 | |
| 423 | N | A | -2.3573 | |
| 424 | R | A | -1.9015 | |
| 425 | I | A | -0.3044 | |
| 426 | A | A | 0.0000 | |
| 427 | N | A | -1.0538 | |
| 428 | N | A | -0.9274 | |
| 429 | N | A | 0.0000 | |
| 430 | L | A | 0.0000 | |
| 431 | F | A | 0.0000 | |
| 432 | L | A | -0.8052 | |
| 433 | N | A | -0.4558 | |
| 434 | G | A | -0.4142 | |
| 435 | S | A | -0.2873 | |
| 436 | Y | A | 0.5230 | |
| 437 | A | A | 0.5852 | |
| 438 | L | A | 1.3093 | |
| 439 | P | A | 0.6284 | |
| 440 | A | A | 0.0000 | |
| 441 | T | A | -0.4702 | |
| 442 | S | A | -1.3076 | |
| 443 | E | A | -2.1454 | |
| 444 | N | A | -1.5428 | |
| 445 | N | A | 0.0000 | |
| 446 | I | A | -0.4326 | |
| 447 | V | A | -0.8020 | |
| 448 | N | A | -1.6347 | |
| 449 | Q | A | -1.2397 | |
| 450 | D | A | -1.4893 | |
| 451 | P | A | 0.0000 | |
| 452 | L | A | 0.4974 | |
| 453 | F | A | 0.9747 | |
| 454 | V | A | 2.0706 | |
| 455 | L | A | 1.7193 | |
| 456 | S | A | 0.9794 | |
| 457 | P | A | 0.3820 | |
| 458 | S | A | 0.7159 | |
| 459 | V | A | 1.2113 | |
| 460 | V | A | 0.0000 | |
| 461 | N | A | -1.0124 | |
| 462 | G | A | -0.8407 | |
| 463 | P | A | -0.9406 | |
| 464 | I | A | 0.0000 | |
| 465 | D | A | -1.7785 | |
| 466 | I | A | -0.7827 | |
| 467 | S | A | -0.7405 | |
| 468 | A | A | -0.4616 | |
| 469 | T | A | -0.0181 | |
| 470 | D | A | 0.2576 | |
| 471 | F | A | 0.0000 | |
| 472 | S | A | 0.9755 | |
| 473 | I | A | 0.0000 | |
| 474 | T | A | 0.5952 | |
| 475 | P | A | -0.3122 | |
| 476 | N | A | -0.9974 | |
| 477 | S | A | 0.0000 | |
| 478 | L | A | 1.0249 | |
| 479 | A | A | 0.0000 | |
| 480 | I | A | 0.5343 | |
| 481 | D | A | -0.3419 | |
| 482 | A | A | 0.0649 | |
| 483 | G | A | 0.0000 | |
| 484 | D | A | -0.6268 | |
| 485 | P | A | -0.4540 | |
| 486 | S | A | -0.2166 | |
| 487 | Y | A | -0.0194 | |
| 488 | T | A | -0.6015 | |
| 489 | P | A | 0.0000 | |
| 490 | E | A | -2.2000 | |
| 491 | N | A | -1.2439 | |
| 492 | D | A | 0.0000 | |
| 493 | F | A | 0.8594 | |
| 494 | L | A | 1.5228 | |
| 495 | G | A | -0.1457 | |
| 496 | N | A | -0.3543 | |
| 497 | P | A | -1.0762 | |
| 498 | R | A | 0.0000 | |
| 499 | P | A | -0.9535 | |
| 500 | T | A | -0.6483 | |
| 501 | L | A | -0.1755 | |
| 502 | P | A | -0.7966 | |
| 503 | N | A | -1.1709 | |
| 504 | A | A | -0.3359 | |
| 505 | I | A | 0.4868 | |
| 506 | S | A | 0.2433 | |
| 507 | F | A | 0.0679 | |
| 508 | S | A | 0.0000 | |
| 509 | S | A | 0.0000 | |
| 510 | F | A | 0.0000 | |
| 511 | E | A | 0.0000 | |
| 512 | N | A | -1.7833 | |
| 513 | S | A | -0.9996 | |
| 514 | T | A | -0.6061 | |
| 515 | G | A | -0.6517 | |
| 516 | G | A | -0.6466 | |
| 517 | W | A | 0.0000 | |
| 518 | S | A | -0.9824 | |
| 519 | Q | A | -1.4249 | |
| 520 | F | A | -0.7235 | |
| 521 | G | A | -0.9660 | |
| 522 | S | A | -0.9889 | |
| 523 | P | A | 0.0000 | |
| 524 | T | A | -0.7149 | |
| 525 | L | A | -0.3090 | |
| 526 | T | A | 0.0463 | |
| 527 | S | A | -0.3389 | |
| 528 | T | A | -0.1950 | |
| 529 | T | A | -0.5504 | |
| 530 | A | A | -0.2829 | |
| 531 | N | A | -0.6888 | |
| 532 | S | A | -0.9169 | |
| 533 | K | A | -1.2067 | |
| 534 | S | A | -1.5946 | |
| 535 | G | A | -2.0360 | |
| 536 | D | A | -2.1768 | |
| 537 | Y | A | -0.8922 | |
| 538 | S | A | 0.0000 | |
| 539 | L | A | 0.0000 | |
| 540 | S | A | -0.0356 | |
| 541 | V | A | 0.0000 | |
| 542 | S | A | -0.8249 | |
| 543 | N | A | -1.5669 | |
| 544 | R | A | 0.0000 | |
| 545 | T | A | -0.8757 | |
| 546 | E | A | -1.4115 | |
| 547 | N | A | -0.9374 | |
| 548 | W | A | -0.5902 | |
| 549 | H | A | -1.1147 | |
| 550 | S | A | 0.0000 | |
| 551 | P | A | 0.0000 | |
| 552 | K | A | -0.9438 | |
| 553 | L | A | 0.0000 | |
| 554 | A | A | -0.3215 | |
| 555 | L | A | 0.0000 | |
| 556 | D | A | -1.1603 | |
| 557 | N | A | -1.6244 | |
| 558 | L | A | -0.6261 | |
| 559 | M | A | 0.0000 | |
| 560 | E | A | -1.6611 | |
| 561 | V | A | 0.2044 | |
| 562 | G | A | -0.6253 | |
| 563 | Q | A | -1.3675 | |
| 564 | T | A | -1.3918 | |
| 565 | Y | A | 0.0000 | |
| 566 | T | A | 0.0000 | |
| 567 | F | A | 0.0000 | |
| 568 | Y | A | -0.4287 | |
| 569 | V | A | 0.0000 | |
| 570 | W | A | -0.0659 | |
| 571 | V | A | 0.0000 | |
| 572 | K | A | -1.1312 | |
| 573 | L | A | 0.0000 | |
| 574 | A | A | -0.7655 | |
| 575 | S | A | -0.8976 | |
| 576 | G | A | -0.8552 | |
| 577 | G | A | 0.0000 | |
| 578 | A | A | -0.7655 | |
| 579 | G | A | -0.8289 | |
| 580 | N | A | -1.4175 | |
| 581 | A | A | 0.0000 | |
| 582 | Q | A | -0.8607 | |
| 583 | I | A | 0.0000 | |
| 584 | T | A | 0.0000 | |
| 585 | I | A | 0.0000 | |
| 586 | R | A | 0.1111 | |
| 587 | N | A | 0.0000 | |
| 588 | T | A | 0.3883 | |
| 589 | T | A | 0.5803 | |
| 590 | L | A | 1.1371 | |
| 591 | N | A | -0.2586 | |
| 592 | T | A | 0.2458 | |
| 593 | Y | A | 0.7901 | |
| 594 | T | A | 0.2953 | |
| 595 | S | A | -0.3744 | |
| 596 | V | A | 0.0000 | |
| 597 | T | A | 0.0000 | |
| 598 | S | A | -0.6863 | |
| 599 | S | A | -0.7790 | |
| 600 | T | A | -0.6239 | |
| 601 | A | A | -0.5604 | |
| 602 | V | A | 0.0000 | |
| 603 | N | A | -1.6690 | |
| 604 | D | A | -1.8698 | |
| 605 | Q | A | -2.4764 | |
| 606 | D | A | -2.6001 | |
| 607 | W | A | -1.2594 | |
| 608 | T | A | -0.6586 | |
| 609 | L | A | -0.0083 | |
| 610 | L | A | 0.0000 | |
| 611 | N | A | -1.2459 | |
| 612 | G | A | -1.4107 | |
| 613 | D | A | -1.9668 | |
| 614 | F | A | 0.0000 | |
| 615 | T | A | -0.9151 | |
| 616 | Y | A | 0.0000 | |
| 617 | P | A | -0.3958 | |
| 618 | S | A | 0.0158 | |
| 619 | S | A | -0.3623 | |
| 620 | D | A | 0.5867 | |
| 621 | L | A | 0.9809 | |
| 622 | M | A | 0.0000 | |
| 623 | F | A | 0.0000 | |
| 624 | A | A | 0.0000 | |
| 625 | Y | A | 0.0000 | |
| 626 | V | A | 0.0000 | |
| 627 | K | A | -1.1294 | |
| 628 | G | A | 0.0000 | |
| 629 | P | A | 0.0000 | |
| 630 | N | A | -1.3718 | |
| 631 | V | A | -0.1268 | |
| 632 | G | A | -0.7248 | |
| 633 | D | A | -1.6298 | |
| 634 | G | A | -0.9361 | |
| 635 | V | A | 0.5364 | |
| 636 | V | A | -0.2785 | |
| 637 | S | A | -0.4657 | |
| 638 | D | A | -0.8444 | |
| 639 | F | A | 0.0000 | |
| 640 | Y | A | -0.0675 | |
| 641 | I | A | 0.0000 | |
| 642 | D | A | 0.0000 | |
| 643 | D | A | 0.0000 | |
| 644 | F | A | 0.0000 | |
| 645 | T | A | 0.0000 | |
| 646 | L | A | 0.0000 | |
| 647 | V | A | 0.0000 | |
| 648 | P | A | -1.1695 | |
| 649 | Q | A | -1.9248 | |
| 650 | G | A | -1.3137 | |
| 651 | S | A | -1.0015 | |
| 652 | A | A | -0.9839 | |
| 653 | E | A | -1.3491 | |
| 654 | V | A | 0.0000 | |
| 655 | D | A | -2.3214 | |
| 656 | F | A | 0.0000 | |
| 657 | S | A | -1.8582 | |
| 658 | N | A | -2.4161 | |
| 659 | I | A | -2.0300 | |
| 660 | D | A | -3.0260 | |
| 661 | N | A | -2.3523 | |
| 662 | D | A | -1.4052 | |
| 663 | D | A | -1.4363 | |
| 664 | V | A | -0.4919 | |
| 665 | V | A | 0.0000 | |
| 666 | D | A | 0.0000 | |
| 667 | I | A | 0.0000 | |
| 668 | G | A | 0.0000 | |
| 669 | A | A | 0.0000 | |
| 670 | Y | A | 0.0000 | |
| 671 | E | A | 0.0000 | |
| 672 | F | A | 0.6282 | |
| 673 | I | A | 1.0216 | |
| 674 | N | A | -0.7642 | |
| 675 | T | A | -0.4741 | |
| 676 | T | A | -0.1648 | |
| 677 | A | A | -0.1177 | |
| 678 | G | A | 0.2312 | |
| 679 | V | A | 1.1801 | |
| 680 | W | A | -0.1933 | |
| 681 | D | A | -2.3055 | |
| 682 | N | A | -2.5986 | |
| 683 | D | A | -2.8805 | |
| 684 | T | A | -1.8402 | |
| 685 | L | A | -1.1498 | |
| 686 | N | A | -1.7032 | |
| 687 | G | A | -1.0962 | |
| 688 | Q | A | -1.0308 | |
| 689 | I | A | -0.2101 | |
| 690 | F | A | -0.0904 | |
| 691 | V | A | 0.0000 | |
| 692 | Y | A | -0.2194 | |
| 693 | P | A | -0.8879 | |
| 694 | N | A | -0.6603 | |
| 695 | P | A | -0.7202 | |
| 696 | A | A | 0.0000 | |
| 697 | K | A | -3.3487 | |
| 698 | N | A | -3.1695 | |
| 699 | Q | A | -2.7941 | |
| 700 | I | A | 0.0000 | |
| 701 | T | A | -0.8661 | |
| 702 | I | A | 0.0000 | |
| 703 | S | A | 0.0000 | |
| 704 | K | A | -1.7394 | |
| 705 | Y | A | -1.6213 | |
| 706 | T | A | -1.6417 | |
| 707 | A | A | -1.4260 | |
| 708 | N | A | -1.6734 | |
| 709 | D | A | 0.0000 | |
| 710 | Q | A | -2.0146 | |
| 711 | I | A | -1.3193 | |
| 712 | E | A | -0.9748 | |
| 713 | V | A | 0.0000 | |
| 714 | M | A | 0.3188 | |
| 715 | D | A | 0.0000 | |
| 716 | L | A | 2.2616 | |
| 717 | L | A | 1.7356 | |
| 718 | G | A | 0.3662 | |
| 719 | K | A | -0.4647 | |
| 720 | Y | A | 0.4703 | |
| 721 | Y | A | -0.2384 | |
| 722 | Q | A | -1.0819 | |
| 723 | L | A | -1.0856 | |
| 724 | S | A | -1.6173 | |
| 725 | N | A | -2.8086 | |
| 726 | Q | A | -3.0438 | |
| 727 | E | A | -3.3089 | |
| 728 | N | A | -2.4132 | |
| 729 | T | A | -1.4325 | |
| 730 | L | A | -0.2316 | |
| 731 | D | A | -2.2956 | |
| 732 | K | A | -2.5859 | |
| 733 | T | A | -2.0186 | |
| 734 | L | A | 0.0000 | |
| 735 | T | A | -1.8023 | |
| 736 | L | A | 0.0000 | |
| 737 | D | A | -2.6517 | |
| 738 | V | A | 0.0000 | |
| 739 | S | A | -2.0707 | |
| 740 | S | A | -1.0854 | |
| 741 | L | A | 0.0000 | |
| 742 | S | A | -1.1606 | |
| 743 | K | A | -2.1552 | |
| 744 | G | A | -0.3507 | |
| 745 | I | A | 0.7645 | |
| 746 | Y | A | 0.0000 | |
| 747 | L | A | 0.1433 | |
| 748 | V | A | 0.0000 | |
| 749 | K | A | -0.9414 | |
| 750 | I | A | 0.0000 | |
| 751 | R | A | -1.6865 | |
| 752 | N | A | -1.3427 | |
| 753 | S | A | -1.1608 | |
| 754 | Y | A | -0.1299 | |
| 755 | T | A | -0.2821 | |
| 756 | N | A | -1.1966 | |
| 757 | S | A | 0.0133 | |
| 758 | F | A | 0.6325 | |
| 759 | Q | A | 0.1389 | |
| 760 | T | A | -0.4232 | |
| 761 | L | A | -0.4919 | |
| 762 | K | A | -1.2350 | |
| 763 | F | A | 0.0000 | |
| 764 | L | A | -0.4467 | |
| 765 | K | A | 0.0000 | |
| 766 | H | A | -2.1945 |
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 |
|||
| VR454A | -1.7723 | -0.0172 | View | CSV | PDB |
| VK22A | -0.801 | -0.0222 | View | CSV | PDB |
| LR25A | -0.7175 | -0.0211 | View | CSV | PDB |
| VK454A | -1.0285 | -0.0162 | View | CSV | PDB |
| LR455A | -0.3679 | -0.0228 | View | CSV | PDB |
| LR3A | -0.8116 | -0.0149 | View | CSV | PDB |
| VR22A | -0.3291 | -0.021 | View | CSV | PDB |
| IK21A | -0.2387 | -0.0233 | View | CSV | PDB |
| LK3A | -0.5512 | -0.0144 | View | CSV | PDB |
| TR27A | -1.0944 | -0.0086 | View | CSV | PDB |
| IE4A | -0.2809 | -0.0169 | View | CSV | PDB |
| LK25A | -0.2095 | -0.0183 | View | CSV | PDB |
| LR717A | -0.4595 | -0.0135 | View | CSV | PDB |
| IR4A | -0.2892 | -0.0164 | View | CSV | PDB |
| SK26A | -0.7543 | -0.0098 | View | CSV | PDB |
| LK455A | -0.2658 | -0.0147 | View | CSV | PDB |
| TK27A | -0.7256 | -0.0081 | View | CSV | PDB |
| YK19A | -0.4831 | -0.01 | View | CSV | PDB |
| LK717A | -0.1912 | -0.0133 | View | CSV | PDB |
| LK20A | -0.1061 | -0.0122 | View | CSV | PDB |
| AK2A | -0.363 | -0.0081 | View | CSV | PDB |
| AE2A | -0.1842 | -0.0084 | View | CSV | PDB |
| SD26A | -0.2159 | -0.0073 | View | CSV | PDB |
| LK24A | 0.0323 | -0.0177 | View | CSV | PDB |
| LR20A | 0.0687 | -0.0138 | View | CSV | PDB |
| YR19A | 0.0773 | -0.0127 | View | CSV | PDB |
| IR21A | 0.2191 | -0.0246 | View | CSV | PDB |
| LR24A | 0.1761 | -0.0188 | View | CSV | PDB |
| LR494A | 0.1718 | -0.0181 | View | CSV | PDB |
| IR23A | 0.3541 | -0.0193 | View | CSV | PDB |
| IK23A | 0.367 | -0.0195 | View | CSV | PDB |
| LK716A | 0.2932 | -0.0153 | View | CSV | PDB |
| FK28A | 0.3121 | -0.0161 | View | CSV | PDB |
| LK494A | 0.3467 | -0.0161 | View | CSV | PDB |
| FD28A | 0.3653 | -0.0154 | View | CSV | PDB |
| IK18A | 0.4028 | -0.0163 | View | CSV | PDB |
| IE18A | 0.5655 | -0.0187 | View | CSV | PDB |
| LE716A | 0.5475 | -0.014 | View | CSV | PDB |
| MK1A | 0.4392 | -0.0103 | View | CSV | PDB |
| MR1A | 0.5683 | -0.0133 | 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