| Chain sequence(s) |
A: MSDTTVDLLVIGSGTGLAAALSAREQGLDVLVVEKTEYVGGSTARSGGAFWIPANPALTEAGSRDTLERGETYLEAVVGDDAPKARWQAFLRHGPETIRMLRRTTSLQLMWARGYSDYHPELPGGDAAGRSIESKPFDASVLGESRALLRPGVVEAPVPMPVTGADYKWMNLVARKPGKGLPRVLRRAAQGIGGMVIGRDYLAGGQALAAGLFDGALRAGIPIWRETTLVELVTEGDRVVGAVLERDGGRVTVTARRGVVLAAGGFDHDMDMRHRYQAEFLDNWSLGNEGNTGDAIKLAAEVGAELTLMDQTWWFPAVAPLPGGTPQVLLAERSLPGSIMVDGHGRRFINESTDYMTFGQTVLGRDRAGDPVGSMWLVFDQSYRNSYVLAGSLFPRMALPQEWYDAGIAHRAGTAAELARAAGLPEDAFTATLRRFNTMAAAGIDDDFHRGNSAYDRYYGDPTVTPNPNLRPLDRGDLYAVKVVLSDLGTCGGLSADELGRPLRADGSPIEGLYAIGNTAGNVFGRSYPGAGATIGQGLVFGHIVATHAATA
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | No |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | Yes |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimization (00:00:01)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:06:27)
[INFO] AutoMutEv:Residue number 196 from chain A and a score of 2.837 (valine) selected for
automated mutation (00:06:32)
[INFO] AutoMutEv:Residue number 197 from chain A and a score of 2.557 (isoleucine) selected
for automated mutation (00:06:32)
[INFO] AutoMutEv:Residue number 195 from chain A and a score of 1.903 (methionine) selected
for automated mutation (00:06:32)
[INFO] AutoMutEv:Residue number 192 from chain A and a score of 1.425 (isoleucine) selected
for automated mutation (00:06:32)
[INFO] AutoMutEv:Residue number 154 from chain A and a score of 1.018 (valine) selected for
automated mutation (00:06:32)
[INFO] AutoMutEv:Residue number 193 from chain A and a score of 0.967 (glycine) selected for
automated mutation (00:06:32)
[INFO] AutoMutEv:Residue number 141 from chain A and a score of 0.937 (valine) selected for
automated mutation (00:06:32)
[INFO] AutoMutEv:Residue number 153 from chain A and a score of 0.931 (valine) selected for
automated mutation (00:06:32)
[INFO] AutoMutEv:Residue number 394 from chain A and a score of 0.810 (phenylalanine)
selected for automated mutation (00:06:32)
[INFO] AutoMutEv:Residue number 185 from chain A and a score of 0.807 (leucine) selected for
automated mutation (00:06:32)
[INFO] AutoMutEv:Residue number 158 from chain A and a score of 0.692 (valine) selected for
automated mutation (00:06:32)
[INFO] AutoMutEv:Residue number 198 from chain A and a score of 0.680 (glycine) selected for
automated mutation (00:06:32)
[INFO] AutoMutEv:Residue number 181 from chain A and a score of 0.619 (leucine) selected for
automated mutation (00:06:32)
[INFO] AutoMutEv:Residue number 184 from chain A and a score of 0.587 (valine) selected for
automated mutation (00:06:32)
[INFO] AutoMutEv:Residue number 488 from chain A and a score of 0.563 (leucine) selected for
automated mutation (00:06:32)
[INFO] AutoMutEv:Residue number 328 from chain A and a score of 0.435 (valine) selected for
automated mutation (00:06:32)
[INFO] AutoMutEv:Residue number 160 from chain A and a score of 0.366 (methionine) selected
for automated mutation (00:06:32)
[INFO] AutoMutEv:Residue number 442 from chain A and a score of 0.356 (alanine) selected for
automated mutation (00:06:32)
[INFO] AutoMutEv:Residue number 159 from chain A and a score of 0.347 (proline) selected for
automated mutation (00:06:32)
[INFO] AutoMutEv:Residue number 444 from chain A and a score of 0.344 (isoleucine) selected
for automated mutation (00:06:32)
[INFO] AutoMutEv:Mutating residue number 196 from chain A (valine) into threonine (00:06:32)
[INFO] AutoMutEv:Mutating residue number 192 from chain A (isoleucine) into leucine (00:06:32)
[INFO] AutoMutEv:Mutating residue number 197 from chain A (isoleucine) into leucine (00:06:32)
[INFO] AutoMutEv:Mutating residue number 196 from chain A (valine) into alanine (00:06:45)
[INFO] AutoMutEv:Mutating residue number 195 from chain A (methionine) into arginine (00:06:45)
[INFO] AutoMutEv:Mutating residue number 154 from chain A (valine) into threonine (00:06:48)
[INFO] AutoMutEv:Mutating residue number 196 from chain A (valine) into methionine (00:07:01)
[INFO] AutoMutEv:Mutating residue number 154 from chain A (valine) into alanine (00:07:02)
[INFO] AutoMutEv:Mutating residue number 154 from chain A (valine) into methionine (00:07:15)
[INFO] AutoMutEv:Mutating residue number 197 from chain A (isoleucine) into threonine (00:07:19)
[INFO] AutoMutEv:Mutating residue number 195 from chain A (methionine) into lysine (00:07:21)
[INFO] AutoMutEv:Mutating residue number 197 from chain A (isoleucine) into methionine (00:07:32)
[INFO] AutoMutEv:Mutating residue number 193 from chain A (glycine) into glutamic acid (00:07:32)
[INFO] AutoMutEv:Mutating residue number 193 from chain A (glycine) into aspartic acid (00:07:47)
[INFO] AutoMutEv:Mutating residue number 153 from chain A (valine) into threonine (00:07:47)
[INFO] AutoMutEv:Mutating residue number 192 from chain A (isoleucine) into threonine (00:07:58)
[INFO] AutoMutEv:Mutating residue number 193 from chain A (glycine) into asparagine (00:08:01)
[INFO] AutoMutEv:Mutating residue number 153 from chain A (valine) into alanine (00:08:03)
[INFO] AutoMutEv:Mutating residue number 192 from chain A (isoleucine) into methionine (00:08:12)
[INFO] AutoMutEv:Mutating residue number 141 from chain A (valine) into threonine (00:08:14)
[INFO] AutoMutEv:Mutating residue number 153 from chain A (valine) into methionine (00:08:15)
[INFO] AutoMutEv:Mutating residue number 141 from chain A (valine) into alanine (00:08:26)
[INFO] AutoMutEv:Mutating residue number 394 from chain A (phenylalanine) into methionine (00:08:32)
[INFO] AutoMutEv:Mutating residue number 394 from chain A (phenylalanine) into tyrosine (00:08:33)
[INFO] AutoMutEv:Mutating residue number 141 from chain A (valine) into methionine (00:08:38)
[INFO] AutoMutEv:Mutating residue number 185 from chain A (leucine) into methionine (00:08:47)
[INFO] AutoMutEv:Mutating residue number 394 from chain A (phenylalanine) into tryptophan (00:08:48)
[INFO] AutoMutEv:Mutating residue number 198 from chain A (glycine) into glutamic acid (00:08:50)
[INFO] AutoMutEv:Mutating residue number 184 from chain A (valine) into alanine (00:09:02)
[INFO] AutoMutEv:Mutating residue number 198 from chain A (glycine) into aspartic acid (00:09:03)
[INFO] AutoMutEv:Mutating residue number 158 from chain A (valine) into threonine (00:09:04)
[INFO] AutoMutEv:Mutating residue number 198 from chain A (glycine) into asparagine (00:09:15)
[INFO] AutoMutEv:Mutating residue number 158 from chain A (valine) into alanine (00:09:15)
[INFO] AutoMutEv:Mutating residue number 184 from chain A (valine) into methionine (00:09:16)
[INFO] AutoMutEv:Mutating residue number 181 from chain A (leucine) into methionine (00:09:26)
[INFO] AutoMutEv:Mutating residue number 158 from chain A (valine) into methionine (00:09:27)
[INFO] AutoMutEv:Mutating residue number 488 from chain A (leucine) into methionine (00:09:33)
[INFO] AutoMutEv:Mutating residue number 184 from chain A (valine) into threonine (00:09:41)
[INFO] AutoMutEv:Mutating residue number 328 from chain A (valine) into methionine (00:09:41)
[INFO] AutoMutEv:Mutating residue number 160 from chain A (methionine) into arginine (00:09:53)
[INFO] AutoMutEv:Mutating residue number 442 from chain A (alanine) into asparagine (00:09:55)
[INFO] AutoMutEv:Mutating residue number 328 from chain A (valine) into threonine (00:09:56)
[INFO] AutoMutEv:Mutating residue number 328 from chain A (valine) into alanine (00:10:08)
[INFO] AutoMutEv:Mutating residue number 159 from chain A (proline) into arginine (00:10:08)
[INFO] AutoMutEv:Mutating residue number 444 from chain A (isoleucine) into methionine (00:10:21)
[INFO] AutoMutEv:Mutating residue number 160 from chain A (methionine) into lysine (00:10:21)
[INFO] AutoMutEv:Mutating residue number 159 from chain A (proline) into asparagine (00:10:29)
[INFO] AutoMutEv:Mutating residue number 444 from chain A (isoleucine) into leucine (00:10:37)
[INFO] AutoMutEv:Mutating residue number 159 from chain A (proline) into glutamine (00:10:45)
[INFO] AutoMutEv:Mutating residue number 442 from chain A (alanine) into glutamic acid (00:11:04)
[INFO] AutoMutEv:Mutating residue number 444 from chain A (isoleucine) into threonine (00:11:09)
[INFO] AutoMutEv:Mutating residue number 442 from chain A (alanine) into aspartic acid (00:11:19)
[INFO] AutoMutEv:Effect of mutation residue number 196 from chain A (valine) into threonine:
Energy difference: -0.2038 kcal/mol, Difference in average score from the
base case: -0.0106 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 196 from chain A (valine) into alanine:
Energy difference: -0.0485 kcal/mol, Difference in average score from the
base case: -0.0033 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 196 from chain A (valine) into
methionine: Energy difference: -0.7383 kcal/mol, Difference in average
score from the base case: -0.0078 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 197 from chain A (isoleucine) into
threonine: Energy difference: 0.9044 kcal/mol, Difference in average score
from the base case: -0.0145 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 197 from chain A (isoleucine) into
methionine: Energy difference: 0.1144 kcal/mol, Difference in average score
from the base case: -0.0054 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 197 from chain A (isoleucine) into
leucine: Energy difference: 0.4590 kcal/mol, Difference in average score
from the base case: -0.0058 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 195 from chain A (methionine) into
arginine: Energy difference: -0.0224 kcal/mol, Difference in average score
from the base case: -0.0070 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 195 from chain A (methionine) into
lysine: Energy difference: 0.4805 kcal/mol, Difference in average score
from the base case: -0.0135 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 192 from chain A (isoleucine) into
threonine: Energy difference: 0.7673 kcal/mol, Difference in average score
from the base case: -0.0063 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 192 from chain A (isoleucine) into
methionine: Energy difference: 0.1913 kcal/mol, Difference in average score
from the base case: -0.0018 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 192 from chain A (isoleucine) into
leucine: Energy difference: 0.0734 kcal/mol, Difference in average score
from the base case: -0.0005 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 154 from chain A (valine) into threonine:
Energy difference: 0.0071 kcal/mol, Difference in average score from the
base case: -0.0104 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 154 from chain A (valine) into alanine:
Energy difference: 0.5312 kcal/mol, Difference in average score from the
base case: -0.0085 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 154 from chain A (valine) into
methionine: Energy difference: -0.2023 kcal/mol, Difference in average
score from the base case: -0.0055 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 193 from chain A (glycine) into glutamic
acid: Energy difference: 0.0230 kcal/mol, Difference in average score from
the base case: -0.0118 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 193 from chain A (glycine) into aspartic
acid: Energy difference: 0.3043 kcal/mol, Difference in average score from
the base case: -0.0115 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 193 from chain A (glycine) into
asparagine: Energy difference: 0.4671 kcal/mol, Difference in average score
from the base case: -0.0077 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 141 from chain A (valine) into threonine:
Energy difference: 0.4786 kcal/mol, Difference in average score from the
base case: -0.0102 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 141 from chain A (valine) into alanine:
Energy difference: 0.6113 kcal/mol, Difference in average score from the
base case: -0.0096 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 141 from chain A (valine) into
methionine: Energy difference: 0.3396 kcal/mol, Difference in average score
from the base case: -0.0031 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 153 from chain A (valine) into threonine:
Energy difference: 0.0391 kcal/mol, Difference in average score from the
base case: -0.0065 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 153 from chain A (valine) into alanine:
Energy difference: 0.5379 kcal/mol, Difference in average score from the
base case: -0.0048 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 153 from chain A (valine) into
methionine: Energy difference: -0.9558 kcal/mol, Difference in average
score from the base case: -0.0050 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 394 from chain A (phenylalanine) into
methionine: Energy difference: -0.2986 kcal/mol, Difference in average
score from the base case: -0.0032 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 394 from chain A (phenylalanine) into
tryptophan: Energy difference: -0.8945 kcal/mol, Difference in average
score from the base case: -0.0055 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 394 from chain A (phenylalanine) into
tyrosine: Energy difference: 0.0255 kcal/mol, Difference in average score
from the base case: -0.0024 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 185 from chain A (leucine) into
methionine: Energy difference: -0.1866 kcal/mol, Difference in average
score from the base case: -0.0054 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 158 from chain A (valine) into threonine:
Energy difference: 0.4267 kcal/mol, Difference in average score from the
base case: -0.0050 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 158 from chain A (valine) into alanine:
Energy difference: 1.1563 kcal/mol, Difference in average score from the
base case: -0.0035 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 158 from chain A (valine) into
methionine: Energy difference: -0.9869 kcal/mol, Difference in average
score from the base case: -0.0033 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 198 from chain A (glycine) into glutamic
acid: Energy difference: 2.4425 kcal/mol, Difference in average score from
the base case: -0.0086 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 198 from chain A (glycine) into aspartic
acid: Energy difference: 2.3641 kcal/mol, Difference in average score from
the base case: -0.0085 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 198 from chain A (glycine) into
asparagine: Energy difference: 1.8829 kcal/mol, Difference in average score
from the base case: -0.0051 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 181 from chain A (leucine) into
methionine: Energy difference: 0.1982 kcal/mol, Difference in average score
from the base case: -0.0061 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 184 from chain A (valine) into threonine:
Energy difference: 0.3056 kcal/mol, Difference in average score from the
base case: -0.0018 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 184 from chain A (valine) into alanine:
Energy difference: 1.3837 kcal/mol, Difference in average score from the
base case: -0.0004 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 184 from chain A (valine) into
methionine: Energy difference: -0.5832 kcal/mol, Difference in average
score from the base case: -0.0032 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 488 from chain A (leucine) into
methionine: Energy difference: -0.1805 kcal/mol, Difference in average
score from the base case: -0.0007 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 328 from chain A (valine) into threonine:
Energy difference: 0.5314 kcal/mol, Difference in average score from the
base case: -0.0018 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 328 from chain A (valine) into alanine:
Energy difference: 0.9553 kcal/mol, Difference in average score from the
base case: -0.0015 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 328 from chain A (valine) into
methionine: Energy difference: -0.8927 kcal/mol, Difference in average
score from the base case: -0.0019 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 160 from chain A (methionine) into
arginine: Energy difference: 1.2113 kcal/mol, Difference in average score
from the base case: -0.0063 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 160 from chain A (methionine) into
lysine: Energy difference: 1.1818 kcal/mol, Difference in average score
from the base case: -0.0067 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 442 from chain A (alanine) into glutamic
acid: Energy difference: 0.0132 kcal/mol, Difference in average score from
the base case: -0.0125 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 442 from chain A (alanine) into aspartic
acid: Energy difference: 0.2369 kcal/mol, Difference in average score from
the base case: -0.0110 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 442 from chain A (alanine) into
asparagine: Energy difference: -0.5850 kcal/mol, Difference in average
score from the base case: -0.0068 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 159 from chain A (proline) into arginine:
Energy difference: 0.2430 kcal/mol, Difference in average score from the
base case: -0.0006 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 159 from chain A (proline) into
asparagine: Energy difference: 0.3148 kcal/mol, Difference in average score
from the base case: 0.0000 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 159 from chain A (proline) into
glutamine: Energy difference: -0.1060 kcal/mol, Difference in average score
from the base case: 0.0012 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 444 from chain A (isoleucine) into
threonine: Energy difference: 0.6569 kcal/mol, Difference in average score
from the base case: -0.0085 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 444 from chain A (isoleucine) into
methionine: Energy difference: 0.5576 kcal/mol, Difference in average score
from the base case: -0.0036 (00:11:31)
[INFO] AutoMutEv:Effect of mutation residue number 444 from chain A (isoleucine) into
leucine: Energy difference: 0.2539 kcal/mol, Difference in average score
from the base case: -0.0022 (00:11:31)
[INFO] Main: Simulation completed successfully. (00:11:53)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | M | A | -0.1527 | |
| 2 | S | A | -0.8543 | |
| 3 | D | A | -1.9215 | |
| 4 | T | A | -0.8504 | |
| 5 | T | A | -0.9692 | |
| 6 | V | A | 0.0000 | |
| 7 | D | A | 0.0000 | |
| 8 | L | A | 0.0000 | |
| 9 | L | A | 0.0000 | |
| 10 | V | A | 0.0000 | |
| 11 | I | A | 0.0000 | |
| 12 | G | A | -0.2274 | |
| 13 | S | A | 0.0000 | |
| 14 | G | A | -0.1339 | |
| 15 | T | A | -0.0880 | |
| 16 | G | A | 0.0000 | |
| 17 | L | A | 0.0000 | |
| 18 | A | A | 0.0000 | |
| 19 | A | A | 0.0000 | |
| 20 | A | A | 0.0000 | |
| 21 | L | A | 0.0000 | |
| 22 | S | A | 0.0000 | |
| 23 | A | A | 0.0000 | |
| 24 | R | A | -2.0997 | |
| 25 | E | A | -2.2541 | |
| 26 | Q | A | -1.6775 | |
| 27 | G | A | -1.6363 | |
| 28 | L | A | 0.0000 | |
| 29 | D | A | -2.0772 | |
| 30 | V | A | 0.0000 | |
| 31 | L | A | 0.0000 | |
| 32 | V | A | 0.0000 | |
| 33 | V | A | 0.0000 | |
| 34 | E | A | 0.0000 | |
| 35 | K | A | -2.1413 | |
| 36 | T | A | -2.0159 | |
| 37 | E | A | -2.2333 | |
| 38 | Y | A | -0.8197 | |
| 39 | V | A | 0.0000 | |
| 40 | G | A | 0.0000 | |
| 41 | G | A | 0.0000 | |
| 42 | S | A | -0.3914 | |
| 43 | T | A | 0.0000 | |
| 44 | A | A | 0.0000 | |
| 45 | R | A | -0.0559 | |
| 46 | S | A | -0.3083 | |
| 47 | G | A | -0.5268 | |
| 48 | G | A | 0.0000 | |
| 49 | A | A | -0.1454 | |
| 50 | F | A | 0.0000 | |
| 51 | W | A | 0.0000 | |
| 52 | I | A | 0.0000 | |
| 53 | P | A | 0.0000 | |
| 54 | A | A | -0.9593 | |
| 55 | N | A | 0.0000 | |
| 56 | P | A | -0.8239 | |
| 57 | A | A | 0.0000 | |
| 58 | L | A | 0.0000 | |
| 59 | T | A | -1.5679 | |
| 60 | E | A | -2.1357 | |
| 61 | A | A | -1.4759 | |
| 62 | G | A | -1.7056 | |
| 63 | S | A | 0.0000 | |
| 64 | R | A | -2.4235 | |
| 65 | D | A | -1.7249 | |
| 66 | T | A | -1.5825 | |
| 67 | L | A | -1.6846 | |
| 68 | E | A | -2.5893 | |
| 69 | R | A | -2.7562 | |
| 70 | G | A | 0.0000 | |
| 71 | E | A | -2.6274 | |
| 72 | T | A | -1.7635 | |
| 73 | Y | A | 0.0000 | |
| 74 | L | A | 0.0000 | |
| 75 | E | A | -2.5190 | |
| 76 | A | A | -1.0197 | |
| 77 | V | A | -0.9054 | |
| 78 | V | A | 0.0000 | |
| 79 | G | A | -2.3388 | |
| 80 | D | A | -3.1096 | |
| 81 | D | A | -2.5784 | |
| 82 | A | A | -1.9689 | |
| 83 | P | A | -1.8133 | |
| 84 | K | A | -2.7030 | |
| 85 | A | A | -1.1762 | |
| 86 | R | A | 0.0000 | |
| 87 | W | A | 0.0000 | |
| 88 | Q | A | -1.9594 | |
| 89 | A | A | -1.3757 | |
| 90 | F | A | 0.0000 | |
| 91 | L | A | 0.0000 | |
| 92 | R | A | -2.3007 | |
| 93 | H | A | -1.5341 | |
| 94 | G | A | 0.0000 | |
| 95 | P | A | -1.0245 | |
| 96 | E | A | -1.4597 | |
| 97 | T | A | 0.0000 | |
| 98 | I | A | 0.0000 | |
| 99 | R | A | -1.9568 | |
| 100 | M | A | 0.0000 | |
| 101 | L | A | 0.0000 | |
| 102 | R | A | -2.1769 | |
| 103 | R | A | -2.4697 | |
| 104 | T | A | -1.7827 | |
| 105 | T | A | 0.0000 | |
| 106 | S | A | -0.7909 | |
| 107 | L | A | 0.0000 | |
| 108 | Q | A | -1.6208 | |
| 109 | L | A | -0.7491 | |
| 110 | M | A | -0.6975 | |
| 111 | W | A | -0.7639 | |
| 112 | A | A | 0.0000 | |
| 113 | R | A | -1.8351 | |
| 114 | G | A | -0.9588 | |
| 115 | Y | A | -0.5360 | |
| 116 | S | A | 0.0000 | |
| 117 | D | A | 0.0000 | |
| 118 | Y | A | 0.0000 | |
| 119 | H | A | -0.6292 | |
| 120 | P | A | -0.9365 | |
| 121 | E | A | -1.8412 | |
| 122 | L | A | -0.5987 | |
| 123 | P | A | -0.9478 | |
| 124 | G | A | -1.4946 | |
| 125 | G | A | -0.8676 | |
| 126 | D | A | -0.9840 | |
| 127 | A | A | -0.6461 | |
| 128 | A | A | -0.6384 | |
| 129 | G | A | 0.0000 | |
| 130 | R | A | 0.0000 | |
| 131 | S | A | 0.0000 | |
| 132 | I | A | 0.0000 | |
| 133 | E | A | 0.0000 | |
| 134 | S | A | 0.0000 | |
| 135 | K | A | -1.3720 | |
| 136 | P | A | -0.7685 | |
| 137 | F | A | 0.0000 | |
| 138 | D | A | -0.5067 | |
| 139 | A | A | 0.0000 | |
| 140 | S | A | -0.3076 | |
| 141 | V | A | 0.9369 | |
| 142 | L | A | 0.0000 | |
| 143 | G | A | -0.8989 | |
| 144 | E | A | -1.8721 | |
| 145 | S | A | 0.0000 | |
| 146 | R | A | -0.7212 | |
| 147 | A | A | -0.5791 | |
| 148 | L | A | -0.2829 | |
| 149 | L | A | 0.0000 | |
| 150 | R | A | 0.0000 | |
| 151 | P | A | -0.1012 | |
| 152 | G | A | 0.0358 | |
| 153 | V | A | 0.9307 | |
| 154 | V | A | 1.0181 | |
| 155 | E | A | -0.7556 | |
| 156 | A | A | -0.1492 | |
| 157 | P | A | -0.1060 | |
| 158 | V | A | 0.6919 | |
| 159 | P | A | 0.3469 | |
| 160 | M | A | 0.3661 | |
| 161 | P | A | 0.0000 | |
| 162 | V | A | 0.1981 | |
| 163 | T | A | 0.0000 | |
| 164 | G | A | -0.0718 | |
| 165 | A | A | -0.2638 | |
| 166 | D | A | 0.0000 | |
| 167 | Y | A | 0.3137 | |
| 168 | K | A | -0.0348 | |
| 169 | W | A | -0.1939 | |
| 170 | M | A | 0.3165 | |
| 171 | N | A | 0.0000 | |
| 172 | L | A | 0.0000 | |
| 173 | V | A | 0.0208 | |
| 174 | A | A | -0.4832 | |
| 175 | R | A | -1.0974 | |
| 176 | K | A | -1.1449 | |
| 177 | P | A | -0.7648 | |
| 178 | G | A | -1.0574 | |
| 179 | K | A | -1.3081 | |
| 180 | G | A | 0.0000 | |
| 181 | L | A | 0.6190 | |
| 182 | P | A | -0.1078 | |
| 183 | R | A | -0.3928 | |
| 184 | V | A | 0.5870 | |
| 185 | L | A | 0.8072 | |
| 186 | R | A | -1.1061 | |
| 187 | R | A | -0.4427 | |
| 188 | A | A | 0.2362 | |
| 189 | A | A | -0.0818 | |
| 190 | Q | A | -0.2976 | |
| 191 | G | A | 0.0000 | |
| 192 | I | A | 1.4255 | |
| 193 | G | A | 0.9666 | |
| 194 | G | A | 0.0000 | |
| 195 | M | A | 1.9033 | |
| 196 | V | A | 2.8366 | |
| 197 | I | A | 2.5569 | |
| 198 | G | A | 0.6801 | |
| 199 | R | A | -0.1845 | |
| 200 | D | A | -0.2841 | |
| 201 | Y | A | -0.4934 | |
| 202 | L | A | -0.2253 | |
| 203 | A | A | -0.2102 | |
| 204 | G | A | -0.4616 | |
| 205 | G | A | 0.0000 | |
| 206 | Q | A | -0.2461 | |
| 207 | A | A | 0.0000 | |
| 208 | L | A | 0.0000 | |
| 209 | A | A | 0.0000 | |
| 210 | A | A | 0.0000 | |
| 211 | G | A | 0.0000 | |
| 212 | L | A | 0.0000 | |
| 213 | F | A | 0.0000 | |
| 214 | D | A | 0.0000 | |
| 215 | G | A | 0.0000 | |
| 216 | A | A | 0.0000 | |
| 217 | L | A | -0.2439 | |
| 218 | R | A | -1.6100 | |
| 219 | A | A | -1.2097 | |
| 220 | G | A | -1.0318 | |
| 221 | I | A | 0.0000 | |
| 222 | P | A | -0.1178 | |
| 223 | I | A | 0.0478 | |
| 224 | W | A | -0.7240 | |
| 225 | R | A | -1.8041 | |
| 226 | E | A | -3.2518 | |
| 227 | T | A | 0.0000 | |
| 228 | T | A | -1.5481 | |
| 229 | L | A | 0.0000 | |
| 230 | V | A | -1.0272 | |
| 231 | E | A | -1.7396 | |
| 232 | L | A | -0.4519 | |
| 233 | V | A | -0.2460 | |
| 234 | T | A | -1.5447 | |
| 235 | E | A | -2.5621 | |
| 236 | G | A | -2.3254 | |
| 237 | D | A | -3.0084 | |
| 238 | R | A | -2.4695 | |
| 239 | V | A | 0.0000 | |
| 240 | V | A | -1.2048 | |
| 241 | G | A | 0.0000 | |
| 242 | A | A | 0.0000 | |
| 243 | V | A | -1.1475 | |
| 244 | L | A | 0.0000 | |
| 245 | E | A | -2.9080 | |
| 246 | R | A | -2.8600 | |
| 247 | D | A | -2.9536 | |
| 248 | G | A | -2.1928 | |
| 249 | G | A | -2.1994 | |
| 250 | R | A | -2.8412 | |
| 251 | V | A | 0.0000 | |
| 252 | T | A | -1.2203 | |
| 253 | V | A | 0.0000 | |
| 254 | T | A | -0.7306 | |
| 255 | A | A | 0.0000 | |
| 256 | R | A | -2.2232 | |
| 257 | R | A | -1.7232 | |
| 258 | G | A | 0.0000 | |
| 259 | V | A | 0.0000 | |
| 260 | V | A | 0.0000 | |
| 261 | L | A | 0.0000 | |
| 262 | A | A | 0.0000 | |
| 263 | A | A | -0.2745 | |
| 264 | G | A | -0.2331 | |
| 265 | G | A | 0.0000 | |
| 266 | F | A | 0.0000 | |
| 267 | D | A | 0.0000 | |
| 268 | H | A | -1.2802 | |
| 269 | D | A | -1.2214 | |
| 270 | M | A | -1.9706 | |
| 271 | D | A | -2.6186 | |
| 272 | M | A | 0.0000 | |
| 273 | R | A | 0.0000 | |
| 274 | H | A | -2.4345 | |
| 275 | R | A | -2.7348 | |
| 276 | Y | A | -1.2714 | |
| 277 | Q | A | 0.0000 | |
| 278 | A | A | 0.0000 | |
| 279 | E | A | -2.0558 | |
| 280 | F | A | -0.0276 | |
| 281 | L | A | 0.0000 | |
| 282 | D | A | -2.0291 | |
| 283 | N | A | -1.5667 | |
| 284 | W | A | -0.6762 | |
| 285 | S | A | 0.0000 | |
| 286 | L | A | 0.0000 | |
| 287 | G | A | 0.0000 | |
| 288 | N | A | 0.0000 | |
| 289 | E | A | -1.8888 | |
| 290 | G | A | -1.3143 | |
| 291 | N | A | 0.0000 | |
| 292 | T | A | -0.7073 | |
| 293 | G | A | 0.0000 | |
| 294 | D | A | -0.7663 | |
| 295 | A | A | 0.0000 | |
| 296 | I | A | 0.0000 | |
| 297 | K | A | -1.2861 | |
| 298 | L | A | -1.1808 | |
| 299 | A | A | 0.0000 | |
| 300 | A | A | -1.2394 | |
| 301 | E | A | -2.1264 | |
| 302 | V | A | -1.1953 | |
| 303 | G | A | -1.2745 | |
| 304 | A | A | 0.0000 | |
| 305 | E | A | -1.4510 | |
| 306 | L | A | -0.2716 | |
| 307 | T | A | -0.1993 | |
| 308 | L | A | -0.2033 | |
| 309 | M | A | 0.0000 | |
| 310 | D | A | -0.6540 | |
| 311 | Q | A | 0.0000 | |
| 312 | T | A | 0.0000 | |
| 313 | W | A | 0.0000 | |
| 314 | W | A | 0.0000 | |
| 315 | F | A | 0.0000 | |
| 316 | P | A | 0.0000 | |
| 317 | A | A | 0.0000 | |
| 318 | V | A | 0.0000 | |
| 319 | A | A | 0.0000 | |
| 320 | P | A | -0.2293 | |
| 321 | L | A | -0.5318 | |
| 322 | P | A | -0.4128 | |
| 323 | G | A | -0.6703 | |
| 324 | G | A | -0.5676 | |
| 325 | T | A | 0.0210 | |
| 326 | P | A | 0.0000 | |
| 327 | Q | A | 0.0138 | |
| 328 | V | A | 0.4349 | |
| 329 | L | A | 0.0000 | |
| 330 | L | A | 0.2291 | |
| 331 | A | A | 0.0000 | |
| 332 | E | A | 0.0000 | |
| 333 | R | A | 0.0000 | |
| 334 | S | A | 0.0000 | |
| 335 | L | A | 0.0000 | |
| 336 | P | A | 0.0000 | |
| 337 | G | A | 0.0000 | |
| 338 | S | A | 0.0000 | |
| 339 | I | A | 0.0000 | |
| 340 | M | A | 0.0000 | |
| 341 | V | A | 0.0000 | |
| 342 | D | A | 0.0000 | |
| 343 | G | A | -0.9605 | |
| 344 | H | A | -1.4865 | |
| 345 | G | A | 0.0000 | |
| 346 | R | A | -1.7568 | |
| 347 | R | A | 0.0000 | |
| 348 | F | A | 0.0000 | |
| 349 | I | A | 0.0000 | |
| 350 | N | A | -0.4884 | |
| 351 | E | A | 0.0000 | |
| 352 | S | A | 0.0000 | |
| 353 | T | A | -0.1139 | |
| 354 | D | A | 0.0000 | |
| 355 | Y | A | 0.0000 | |
| 356 | M | A | 0.0000 | |
| 357 | T | A | -0.3226 | |
| 358 | F | A | 0.0000 | |
| 359 | G | A | 0.0000 | |
| 360 | Q | A | -0.6989 | |
| 361 | T | A | -0.6518 | |
| 362 | V | A | 0.0000 | |
| 363 | L | A | 0.0000 | |
| 364 | G | A | -1.6642 | |
| 365 | R | A | -2.1100 | |
| 366 | D | A | -2.3465 | |
| 367 | R | A | -2.7700 | |
| 368 | A | A | -1.9077 | |
| 369 | G | A | -2.0271 | |
| 370 | D | A | -2.3355 | |
| 371 | P | A | -1.9372 | |
| 372 | V | A | 0.0000 | |
| 373 | G | A | -0.8424 | |
| 374 | S | A | -0.6199 | |
| 375 | M | A | 0.0000 | |
| 376 | W | A | 0.0000 | |
| 377 | L | A | 0.0000 | |
| 378 | V | A | 0.0000 | |
| 379 | F | A | 0.0000 | |
| 380 | D | A | 0.0000 | |
| 381 | Q | A | -2.0001 | |
| 382 | S | A | -1.6010 | |
| 383 | Y | A | 0.0000 | |
| 384 | R | A | 0.0000 | |
| 385 | N | A | -1.1016 | |
| 386 | S | A | -0.5969 | |
| 387 | Y | A | 0.0000 | |
| 388 | V | A | 0.0000 | |
| 389 | L | A | 0.0000 | |
| 390 | A | A | 0.0000 | |
| 391 | G | A | -0.0347 | |
| 392 | S | A | 0.1055 | |
| 393 | L | A | 0.0000 | |
| 394 | F | A | 0.8101 | |
| 395 | P | A | -0.3570 | |
| 396 | R | A | -1.5035 | |
| 397 | M | A | -0.0738 | |
| 398 | A | A | -0.2410 | |
| 399 | L | A | 0.0000 | |
| 400 | P | A | -1.3050 | |
| 401 | Q | A | -2.4511 | |
| 402 | E | A | -2.9019 | |
| 403 | W | A | 0.0000 | |
| 404 | Y | A | -1.8601 | |
| 405 | D | A | -2.6171 | |
| 406 | A | A | -1.4384 | |
| 407 | G | A | -1.0550 | |
| 408 | I | A | 0.0000 | |
| 409 | A | A | 0.0000 | |
| 410 | H | A | -1.6251 | |
| 411 | R | A | -2.3308 | |
| 412 | A | A | -2.0280 | |
| 413 | G | A | -1.5072 | |
| 414 | T | A | -1.3546 | |
| 415 | A | A | -1.7239 | |
| 416 | A | A | -1.9848 | |
| 417 | E | A | -2.7484 | |
| 418 | L | A | 0.0000 | |
| 419 | A | A | 0.0000 | |
| 420 | R | A | -2.7945 | |
| 421 | A | A | -1.8793 | |
| 422 | A | A | -1.5090 | |
| 423 | G | A | -1.5005 | |
| 424 | L | A | 0.0000 | |
| 425 | P | A | -1.9160 | |
| 426 | E | A | -2.7779 | |
| 427 | D | A | -2.3518 | |
| 428 | A | A | -1.8511 | |
| 429 | F | A | 0.0000 | |
| 430 | T | A | -2.0069 | |
| 431 | A | A | -1.9838 | |
| 432 | T | A | -2.0299 | |
| 433 | L | A | 0.0000 | |
| 434 | R | A | -2.9844 | |
| 435 | R | A | -3.0789 | |
| 436 | F | A | 0.0000 | |
| 437 | N | A | -1.7812 | |
| 438 | T | A | -1.0788 | |
| 439 | M | A | 0.0000 | |
| 440 | A | A | 0.0000 | |
| 441 | A | A | 0.1075 | |
| 442 | A | A | 0.3564 | |
| 443 | G | A | 0.0000 | |
| 444 | I | A | 0.3437 | |
| 445 | D | A | 0.0000 | |
| 446 | D | A | -2.2307 | |
| 447 | D | A | -1.9179 | |
| 448 | F | A | -0.9113 | |
| 449 | H | A | -1.6557 | |
| 450 | R | A | 0.0000 | |
| 451 | G | A | 0.0000 | |
| 452 | N | A | -1.7432 | |
| 453 | S | A | -1.4537 | |
| 454 | A | A | -1.0055 | |
| 455 | Y | A | 0.0000 | |
| 456 | D | A | 0.0000 | |
| 457 | R | A | -1.3039 | |
| 458 | Y | A | -0.4411 | |
| 459 | Y | A | 0.0000 | |
| 460 | G | A | 0.0000 | |
| 461 | D | A | 0.0000 | |
| 462 | P | A | -0.5660 | |
| 463 | T | A | -0.3449 | |
| 464 | V | A | -0.1577 | |
| 465 | T | A | -0.2702 | |
| 466 | P | A | -0.1901 | |
| 467 | N | A | -0.4275 | |
| 468 | P | A | -0.4926 | |
| 469 | N | A | 0.0000 | |
| 470 | L | A | 0.0000 | |
| 471 | R | A | -0.6487 | |
| 472 | P | A | -1.5639 | |
| 473 | L | A | 0.0000 | |
| 474 | D | A | -3.2148 | |
| 475 | R | A | -3.1733 | |
| 476 | G | A | -2.2791 | |
| 477 | D | A | -2.1561 | |
| 478 | L | A | 0.0000 | |
| 479 | Y | A | 0.0000 | |
| 480 | A | A | 0.0000 | |
| 481 | V | A | 0.0000 | |
| 482 | K | A | -0.5700 | |
| 483 | V | A | 0.0000 | |
| 484 | V | A | 0.0000 | |
| 485 | L | A | 0.0000 | |
| 486 | S | A | 0.0000 | |
| 487 | D | A | 0.0000 | |
| 488 | L | A | 0.5630 | |
| 489 | G | A | 0.0000 | |
| 490 | T | A | 0.0000 | |
| 491 | C | A | 0.0000 | |
| 492 | G | A | 0.0000 | |
| 493 | G | A | 0.0000 | |
| 494 | L | A | 0.0000 | |
| 495 | S | A | -0.3519 | |
| 496 | A | A | 0.0000 | |
| 497 | D | A | 0.0000 | |
| 498 | E | A | -1.0630 | |
| 499 | L | A | -0.1196 | |
| 500 | G | A | 0.0000 | |
| 501 | R | A | -0.6457 | |
| 502 | P | A | 0.0000 | |
| 503 | L | A | -0.9257 | |
| 504 | R | A | -1.2824 | |
| 505 | A | A | -1.3733 | |
| 506 | D | A | -2.2131 | |
| 507 | G | A | -1.5040 | |
| 508 | S | A | -1.0620 | |
| 509 | P | A | -1.0805 | |
| 510 | I | A | 0.0000 | |
| 511 | E | A | -1.9832 | |
| 512 | G | A | -1.5058 | |
| 513 | L | A | 0.0000 | |
| 514 | Y | A | 0.0000 | |
| 515 | A | A | 0.0000 | |
| 516 | I | A | 0.0000 | |
| 517 | G | A | -0.1576 | |
| 518 | N | A | -0.2197 | |
| 519 | T | A | 0.0000 | |
| 520 | A | A | 0.0000 | |
| 521 | G | A | 0.0000 | |
| 522 | N | A | 0.0000 | |
| 523 | V | A | 0.0000 | |
| 524 | F | A | 0.0000 | |
| 525 | G | A | 0.0000 | |
| 526 | R | A | -1.5521 | |
| 527 | S | A | -0.7114 | |
| 528 | Y | A | 0.0000 | |
| 529 | P | A | 0.0000 | |
| 530 | G | A | 0.0000 | |
| 531 | A | A | 0.0000 | |
| 532 | G | A | 0.0000 | |
| 533 | A | A | 0.0000 | |
| 534 | T | A | 0.0137 | |
| 535 | I | A | 0.0000 | |
| 536 | G | A | 0.0000 | |
| 537 | Q | A | 0.0000 | |
| 538 | G | A | 0.0000 | |
| 539 | L | A | 0.0000 | |
| 540 | V | A | 0.0000 | |
| 541 | F | A | 0.0000 | |
| 542 | G | A | 0.0000 | |
| 543 | H | A | 0.0000 | |
| 544 | I | A | 0.0000 | |
| 545 | V | A | 0.0000 | |
| 546 | A | A | 0.0000 | |
| 547 | T | A | -0.2666 | |
| 548 | H | A | -0.2051 | |
| 549 | A | A | 0.0000 | |
| 550 | A | A | -0.6009 | |
| 551 | T | A | -0.2318 | |
| 552 | A | A | -0.1413 |
Automated mutations analysis - evolutionary conserved mutations
In the automated mutations mode, the server selects aggregation prone resides
and each selected residue is mutated based off an evolutionary approach.
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 |
|||
| VM196A | -0.7383 | -0.0078 | View | CSV | PDB |
| FW394A | -0.8945 | -0.0055 | View | CSV | PDB |
| VT196A | -0.2038 | -0.0106 | View | CSV | PDB |
| AN442A | -0.585 | -0.0068 | View | CSV | PDB |
| VM153A | -0.9558 | -0.005 | View | CSV | PDB |
| VM158A | -0.9869 | -0.0033 | View | CSV | PDB |
| VM154A | -0.2023 | -0.0055 | View | CSV | PDB |
| LM185A | -0.1866 | -0.0054 | View | CSV | PDB |
| MR195A | -0.0224 | -0.007 | View | CSV | PDB |
| VM184A | -0.5832 | -0.0032 | View | CSV | PDB |
| VM328A | -0.8927 | -0.0019 | View | CSV | PDB |
| FM394A | -0.2986 | -0.0032 | View | CSV | PDB |
| VT154A | 0.0071 | -0.0104 | View | CSV | PDB |
| LM488A | -0.1805 | -0.0007 | View | CSV | PDB |
| AE442A | 0.0132 | -0.0125 | View | CSV | PDB |
| GE193A | 0.023 | -0.0118 | View | CSV | PDB |
| VT153A | 0.0391 | -0.0065 | View | CSV | PDB |
| IM197A | 0.1144 | -0.0054 | View | CSV | PDB |
| GD193A | 0.3043 | -0.0115 | View | CSV | PDB |
| LM181A | 0.1982 | -0.0061 | View | CSV | PDB |
| MK195A | 0.4805 | -0.0135 | View | CSV | PDB |
| VT141A | 0.4786 | -0.0102 | View | CSV | PDB |
| IT197A | 0.9044 | -0.0145 | View | CSV | PDB |
| VA141A | 0.6113 | -0.0096 | View | CSV | PDB |
| IT444A | 0.6569 | -0.0085 | View | CSV | PDB |
| VT158A | 0.4267 | -0.005 | View | CSV | PDB |
| IM192A | 0.1913 | -0.0018 | View | CSV | PDB |
| IL444A | 0.2539 | -0.0022 | View | CSV | PDB |
| IT192A | 0.7673 | -0.0063 | View | CSV | PDB |
| VT184A | 0.3056 | -0.0018 | View | CSV | PDB |
| MK160A | 1.1818 | -0.0067 | View | CSV | PDB |
| MR160A | 1.2113 | -0.0063 | View | CSV | PDB |
| GD198A | 2.3641 | -0.0085 | View | CSV | PDB |
| GE198A | 2.4425 | -0.0086 | View | CSV | PDB |
| VT328A | 0.5314 | -0.0018 | View | CSV | PDB |
| PR159A | 0.243 | -0.0006 | View | CSV | PDB |
| PN159A | 0.3148 | 0.0 | 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