| Chain sequence(s) |
B: EVQLVESGGGLVQPGGSLRLSCAASGRTFSYNPMGWFRQAPGKGRELVAAISRTGGSTYYPDSVEGRFTISRDNAKRMVYLQMNSLRAEDTAVYYCAAAGVRAEDGRVRTLPSEYTFWGQGTQVTVSS
input PDB |
| Selected Chain(s) | B |
| 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] (00:00:00)
[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 B chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] FoldX: Starting FoldX energy minimization (00:00:00)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:00:50)
[INFO] AutoMutEv:Residue number 112 from chain B and a score of 1.274 (leucine) selected for
automated mutation (00:00:51)
[INFO] AutoMutEv:Residue number 12 from chain B and a score of 1.021 (leucine) selected for
automated mutation (00:00:51)
[INFO] AutoMutEv:Residue number 111 from chain B and a score of 0.531 (threonine) selected
for automated mutation (00:00:51)
[INFO] AutoMutEv:Residue number 6 from chain B and a score of 0.215 (valine) selected for
automated mutation (00:00:51)
[INFO] AutoMutEv:Residue number 117 from chain B and a score of 0.137 (threonine) selected
for automated mutation (00:00:51)
[INFO] AutoMutEv:Residue number 60 from chain B and a score of 0.104 (tyrosine) selected for
automated mutation (00:00:51)
[INFO] AutoMutEv:Mutating residue number 112 from chain B (leucine) into methionine (00:00:51)
[INFO] AutoMutEv:Mutating residue number 111 from chain B (threonine) into glutamic acid (00:00:51)
[INFO] AutoMutEv:Mutating residue number 111 from chain B (threonine) into lysine (00:00:51)
[INFO] AutoMutEv:Mutating residue number 111 from chain B (threonine) into aspartic acid (00:00:57)
[INFO] AutoMutEv:Mutating residue number 12 from chain B (leucine) into methionine (00:00:59)
[INFO] AutoMutEv:Mutating residue number 6 from chain B (valine) into threonine (00:01:00)
[INFO] AutoMutEv:Mutating residue number 6 from chain B (valine) into alanine (00:01:02)
[INFO] AutoMutEv:Mutating residue number 117 from chain B (threonine) into glutamic acid (00:01:03)
[INFO] AutoMutEv:Mutating residue number 117 from chain B (threonine) into lysine (00:01:04)
[INFO] AutoMutEv:Mutating residue number 6 from chain B (valine) into methionine (00:01:08)
[INFO] AutoMutEv:Mutating residue number 117 from chain B (threonine) into aspartic acid (00:01:08)
[INFO] AutoMutEv:Mutating residue number 60 from chain B (tyrosine) into histidine (00:01:11)
[INFO] AutoMutEv:Mutating residue number 60 from chain B (tyrosine) into cysteine (00:01:12)
[INFO] AutoMutEv:Mutating residue number 60 from chain B (tyrosine) into tryptophan (00:01:17)
[INFO] AutoMutEv:Effect of mutation residue number 112 from chain B (leucine) into
methionine: Energy difference: 0.3568 kcal/mol, Difference in average score
from the base case: -0.0094 (00:01:22)
[INFO] AutoMutEv:Effect of mutation residue number 12 from chain B (leucine) into
methionine: Energy difference: -0.0683 kcal/mol, Difference in average
score from the base case: -0.0139 (00:01:22)
[INFO] AutoMutEv:Effect of mutation residue number 111 from chain B (threonine) into
glutamic acid: Energy difference: -0.1731 kcal/mol, Difference in average
score from the base case: -0.0455 (00:01:22)
[INFO] AutoMutEv:Effect of mutation residue number 111 from chain B (threonine) into
aspartic acid: Energy difference: -0.3033 kcal/mol, Difference in average
score from the base case: -0.0412 (00:01:22)
[INFO] AutoMutEv:Effect of mutation residue number 111 from chain B (threonine) into lysine:
Energy difference: -0.2979 kcal/mol, Difference in average score from the
base case: -0.0414 (00:01:22)
[INFO] AutoMutEv:Effect of mutation residue number 6 from chain B (valine) into threonine:
Energy difference: 0.7575 kcal/mol, Difference in average score from the
base case: -0.0154 (00:01:22)
[INFO] AutoMutEv:Effect of mutation residue number 6 from chain B (valine) into alanine:
Energy difference: 1.1323 kcal/mol, Difference in average score from the
base case: -0.0129 (00:01:22)
[INFO] AutoMutEv:Effect of mutation residue number 6 from chain B (valine) into methionine:
Energy difference: -0.1207 kcal/mol, Difference in average score from the
base case: -0.0027 (00:01:22)
[INFO] AutoMutEv:Effect of mutation residue number 117 from chain B (threonine) into
glutamic acid: Energy difference: -0.7438 kcal/mol, Difference in average
score from the base case: -0.0435 (00:01:22)
[INFO] AutoMutEv:Effect of mutation residue number 117 from chain B (threonine) into
aspartic acid: Energy difference: -0.8560 kcal/mol, Difference in average
score from the base case: -0.0397 (00:01:22)
[INFO] AutoMutEv:Effect of mutation residue number 117 from chain B (threonine) into lysine:
Energy difference: -2.1295 kcal/mol, Difference in average score from the
base case: -0.0396 (00:01:22)
[INFO] AutoMutEv:Effect of mutation residue number 60 from chain B (tyrosine) into
histidine: Energy difference: 1.2329 kcal/mol, Difference in average score
from the base case: -0.0233 (00:01:22)
[INFO] AutoMutEv:Effect of mutation residue number 60 from chain B (tyrosine) into cysteine:
Energy difference: 1.7211 kcal/mol, Difference in average score from the
base case: -0.0066 (00:01:22)
[INFO] AutoMutEv:Effect of mutation residue number 60 from chain B (tyrosine) into
tryptophan: Energy difference: -0.8314 kcal/mol, Difference in average
score from the base case: -0.0019 (00:01:22)
[INFO] Main: Simulation completed successfully. (00:01:27)
[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 B chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] FoldX: Starting FoldX energy minimization (00:00:01)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:00:45)
[INFO] AutoMutEv:Residue number 112 from chain B and a score of 1.274 (leucine) selected for
automated mutation (00:00:46)
[INFO] AutoMutEv:Residue number 12 from chain B and a score of 1.021 (leucine) selected for
automated mutation (00:00:46)
[INFO] AutoMutEv:Residue number 111 from chain B and a score of 0.531 (threonine) selected
for automated mutation (00:00:46)
[INFO] AutoMutEv:Residue number 6 from chain B and a score of 0.215 (valine) selected for
automated mutation (00:00:46)
[INFO] AutoMutEv:Residue number 117 from chain B and a score of 0.137 (threonine) selected
for automated mutation (00:00:46)
[INFO] AutoMutEv:Residue number 60 from chain B and a score of 0.104 (tyrosine) selected for
automated mutation (00:00:46)
[INFO] AutoMutEv:Mutating residue number 112 from chain B (leucine) into methionine (00:00:46)
[INFO] AutoMutEv:Mutating residue number 111 from chain B (threonine) into glutamic acid (00:00:46)
[INFO] AutoMutEv:Mutating residue number 111 from chain B (threonine) into lysine (00:00:46)
[INFO] AutoMutEv:Mutating residue number 111 from chain B (threonine) into aspartic acid (00:00:52)
[INFO] AutoMutEv:Mutating residue number 12 from chain B (leucine) into methionine (00:00:54)
[INFO] AutoMutEv:Mutating residue number 6 from chain B (valine) into threonine (00:00:55)
[INFO] AutoMutEv:Mutating residue number 6 from chain B (valine) into alanine (00:00:57)
[INFO] AutoMutEv:Mutating residue number 117 from chain B (threonine) into glutamic acid (00:00:58)
[INFO] AutoMutEv:Mutating residue number 117 from chain B (threonine) into lysine (00:00:59)
[INFO] AutoMutEv:Mutating residue number 6 from chain B (valine) into methionine (00:01:02)
[INFO] AutoMutEv:Mutating residue number 117 from chain B (threonine) into aspartic acid (00:01:03)
[INFO] AutoMutEv:Mutating residue number 60 from chain B (tyrosine) into histidine (00:01:07)
[INFO] AutoMutEv:Mutating residue number 60 from chain B (tyrosine) into cysteine (00:01:07)
[INFO] AutoMutEv:Mutating residue number 60 from chain B (tyrosine) into tryptophan (00:01:11)
[INFO] AutoMutEv:Effect of mutation residue number 112 from chain B (leucine) into
methionine: Energy difference: 0.3568 kcal/mol, Difference in average score
from the base case: -0.0094 (00:01:17)
[INFO] AutoMutEv:Effect of mutation residue number 12 from chain B (leucine) into
methionine: Energy difference: -0.0683 kcal/mol, Difference in average
score from the base case: -0.0139 (00:01:17)
[INFO] AutoMutEv:Effect of mutation residue number 111 from chain B (threonine) into
glutamic acid: Energy difference: -0.1731 kcal/mol, Difference in average
score from the base case: -0.0455 (00:01:17)
[INFO] AutoMutEv:Effect of mutation residue number 111 from chain B (threonine) into
aspartic acid: Energy difference: -0.3033 kcal/mol, Difference in average
score from the base case: -0.0412 (00:01:17)
[INFO] AutoMutEv:Effect of mutation residue number 111 from chain B (threonine) into lysine:
Energy difference: -0.2979 kcal/mol, Difference in average score from the
base case: -0.0414 (00:01:17)
[INFO] AutoMutEv:Effect of mutation residue number 6 from chain B (valine) into threonine:
Energy difference: 0.7575 kcal/mol, Difference in average score from the
base case: -0.0154 (00:01:17)
[INFO] AutoMutEv:Effect of mutation residue number 6 from chain B (valine) into alanine:
Energy difference: 1.1323 kcal/mol, Difference in average score from the
base case: -0.0129 (00:01:17)
[INFO] AutoMutEv:Effect of mutation residue number 6 from chain B (valine) into methionine:
Energy difference: -0.1207 kcal/mol, Difference in average score from the
base case: -0.0027 (00:01:17)
[INFO] AutoMutEv:Effect of mutation residue number 117 from chain B (threonine) into
glutamic acid: Energy difference: -0.7438 kcal/mol, Difference in average
score from the base case: -0.0435 (00:01:17)
[INFO] AutoMutEv:Effect of mutation residue number 117 from chain B (threonine) into
aspartic acid: Energy difference: -0.8560 kcal/mol, Difference in average
score from the base case: -0.0397 (00:01:17)
[INFO] AutoMutEv:Effect of mutation residue number 117 from chain B (threonine) into lysine:
Energy difference: -2.1295 kcal/mol, Difference in average score from the
base case: -0.0396 (00:01:17)
[INFO] AutoMutEv:Effect of mutation residue number 60 from chain B (tyrosine) into
histidine: Energy difference: 1.2329 kcal/mol, Difference in average score
from the base case: -0.0233 (00:01:17)
[INFO] AutoMutEv:Effect of mutation residue number 60 from chain B (tyrosine) into cysteine:
Energy difference: 1.7211 kcal/mol, Difference in average score from the
base case: -0.0066 (00:01:17)
[INFO] AutoMutEv:Effect of mutation residue number 60 from chain B (tyrosine) into
tryptophan: Energy difference: -0.8314 kcal/mol, Difference in average
score from the base case: -0.0019 (00:01:17)
[INFO] Main: Simulation completed successfully. (00:01:21)
[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 B chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] FoldX: Starting FoldX energy minimization (00:00:00)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:00:46)
[INFO] AutoMutEv:Residue number 112 from chain B and a score of 1.274 (leucine) selected for
automated mutation (00:00:47)
[INFO] AutoMutEv:Residue number 12 from chain B and a score of 1.021 (leucine) selected for
automated mutation (00:00:47)
[INFO] AutoMutEv:Residue number 111 from chain B and a score of 0.531 (threonine) selected
for automated mutation (00:00:47)
[INFO] AutoMutEv:Residue number 6 from chain B and a score of 0.215 (valine) selected for
automated mutation (00:00:47)
[INFO] AutoMutEv:Residue number 117 from chain B and a score of 0.137 (threonine) selected
for automated mutation (00:00:47)
[INFO] AutoMutEv:Residue number 60 from chain B and a score of 0.104 (tyrosine) selected for
automated mutation (00:00:47)
[INFO] AutoMutEv:Residue number 119 from chain B and a score of 0.103 (tryptophan) selected
for automated mutation (00:00:47)
[INFO] AutoMutEv:Residue number 114 from chain B and a score of 0.098 (serine) selected for
automated mutation (00:00:47)
[INFO] AutoMutEv:Mutating residue number 112 from chain B (leucine) into methionine (00:00:47)
[INFO] AutoMutEv:Mutating residue number 111 from chain B (threonine) into glutamic acid (00:00:47)
[INFO] AutoMutEv:Mutating residue number 111 from chain B (threonine) into lysine (00:00:47)
[INFO] AutoMutEv:Mutating residue number 111 from chain B (threonine) into aspartic acid (00:00:54)
[INFO] AutoMutEv:Mutating residue number 12 from chain B (leucine) into methionine (00:00:55)
[INFO] AutoMutEv:Mutating residue number 6 from chain B (valine) into threonine (00:00:55)
[INFO] AutoMutEv:Mutating residue number 6 from chain B (valine) into alanine (00:00:59)
[INFO] AutoMutEv:Mutating residue number 117 from chain B (threonine) into glutamic acid (00:00:59)
[INFO] AutoMutEv:Mutating residue number 117 from chain B (threonine) into lysine (00:01:00)
[INFO] AutoMutEv:Mutating residue number 6 from chain B (valine) into methionine (00:01:04)
[INFO] AutoMutEv:Mutating residue number 117 from chain B (threonine) into aspartic acid (00:01:05)
[INFO] AutoMutEv:Mutating residue number 60 from chain B (tyrosine) into histidine (00:01:07)
[INFO] AutoMutEv:Mutating residue number 60 from chain B (tyrosine) into cysteine (00:01:09)
[INFO] AutoMutEv:Mutating residue number 119 from chain B (tryptophan) into arginine (00:01:11)
[INFO] AutoMutEv:Mutating residue number 60 from chain B (tyrosine) into tryptophan (00:01:14)
[INFO] AutoMutEv:Mutating residue number 114 from chain B (serine) into glutamic acid (00:01:14)
[INFO] AutoMutEv:Mutating residue number 114 from chain B (serine) into arginine (00:01:18)
[INFO] AutoMutEv:Mutating residue number 114 from chain B (serine) into aspartic acid (00:01:22)
[INFO] AutoMutEv:Effect of mutation residue number 112 from chain B (leucine) into
methionine: Energy difference: 0.3568 kcal/mol, Difference in average score
from the base case: -0.0094 (00:01:30)
[INFO] AutoMutEv:Effect of mutation residue number 12 from chain B (leucine) into
methionine: Energy difference: -0.0683 kcal/mol, Difference in average
score from the base case: -0.0139 (00:01:30)
[INFO] AutoMutEv:Effect of mutation residue number 111 from chain B (threonine) into
glutamic acid: Energy difference: -0.1731 kcal/mol, Difference in average
score from the base case: -0.0455 (00:01:30)
[INFO] AutoMutEv:Effect of mutation residue number 111 from chain B (threonine) into
aspartic acid: Energy difference: -0.3033 kcal/mol, Difference in average
score from the base case: -0.0412 (00:01:30)
[INFO] AutoMutEv:Effect of mutation residue number 111 from chain B (threonine) into lysine:
Energy difference: -0.2979 kcal/mol, Difference in average score from the
base case: -0.0414 (00:01:30)
[INFO] AutoMutEv:Effect of mutation residue number 6 from chain B (valine) into threonine:
Energy difference: 0.7575 kcal/mol, Difference in average score from the
base case: -0.0154 (00:01:30)
[INFO] AutoMutEv:Effect of mutation residue number 6 from chain B (valine) into alanine:
Energy difference: 1.1323 kcal/mol, Difference in average score from the
base case: -0.0129 (00:01:30)
[INFO] AutoMutEv:Effect of mutation residue number 6 from chain B (valine) into methionine:
Energy difference: -0.1207 kcal/mol, Difference in average score from the
base case: -0.0027 (00:01:30)
[INFO] AutoMutEv:Effect of mutation residue number 117 from chain B (threonine) into
glutamic acid: Energy difference: -0.7438 kcal/mol, Difference in average
score from the base case: -0.0435 (00:01:30)
[INFO] AutoMutEv:Effect of mutation residue number 117 from chain B (threonine) into
aspartic acid: Energy difference: -0.8560 kcal/mol, Difference in average
score from the base case: -0.0397 (00:01:30)
[INFO] AutoMutEv:Effect of mutation residue number 117 from chain B (threonine) into lysine:
Energy difference: -2.1295 kcal/mol, Difference in average score from the
base case: -0.0396 (00:01:30)
[INFO] AutoMutEv:Effect of mutation residue number 60 from chain B (tyrosine) into
histidine: Energy difference: 1.2329 kcal/mol, Difference in average score
from the base case: -0.0233 (00:01:30)
[INFO] AutoMutEv:Effect of mutation residue number 60 from chain B (tyrosine) into cysteine:
Energy difference: 1.7211 kcal/mol, Difference in average score from the
base case: -0.0066 (00:01:30)
[INFO] AutoMutEv:Effect of mutation residue number 60 from chain B (tyrosine) into
tryptophan: Energy difference: -0.8314 kcal/mol, Difference in average
score from the base case: -0.0019 (00:01:30)
[INFO] AutoMutEv:Effect of mutation residue number 119 from chain B (tryptophan) into
arginine: Energy difference: 1.8409 kcal/mol, Difference in average score
from the base case: -0.0429 (00:01:30)
[INFO] AutoMutEv:Effect of mutation residue number 114 from chain B (serine) into arginine:
Energy difference: -0.9890 kcal/mol, Difference in average score from the
base case: -0.0375 (00:01:30)
[INFO] AutoMutEv:Effect of mutation residue number 114 from chain B (serine) into glutamic
acid: Energy difference: -1.0016 kcal/mol, Difference in average score from
the base case: -0.0453 (00:01:30)
[INFO] AutoMutEv:Effect of mutation residue number 114 from chain B (serine) into aspartic
acid: Energy difference: -0.2767 kcal/mol, Difference in average score from
the base case: -0.0411 (00:01:30)
[INFO] Main: Simulation completed successfully. (00:01:36)
|
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 |
|---|---|---|---|---|
| 2 | E | B | -2.6620 | |
| 3 | V | B | 0.0000 | |
| 4 | Q | B | -1.7940 | |
| 5 | L | B | 0.0000 | |
| 6 | V | B | 0.2151 | |
| 7 | E | B | -0.3044 | |
| 8 | S | B | -0.8786 | |
| 9 | G | B | -1.2588 | |
| 10 | G | B | -0.8318 | |
| 11 | G | B | -0.0190 | |
| 12 | L | B | 1.0214 | |
| 13 | V | B | -0.0295 | |
| 14 | Q | B | -1.3278 | |
| 15 | P | B | -1.5290 | |
| 16 | G | B | -1.3710 | |
| 17 | G | B | -0.8766 | |
| 18 | S | B | -1.0895 | |
| 19 | L | B | -1.0303 | |
| 20 | R | B | -2.2822 | |
| 21 | L | B | 0.0000 | |
| 22 | S | B | -0.5877 | |
| 23 | C | B | 0.0000 | |
| 24 | A | B | -0.5109 | |
| 25 | A | B | 0.0000 | |
| 26 | S | B | -1.5344 | |
| 27 | G | B | -2.2471 | |
| 28 | R | B | -2.6509 | |
| 29 | T | B | -1.7268 | |
| 30 | F | B | 0.0000 | |
| 31 | S | B | -0.6714 | |
| 32 | Y | B | -0.0782 | |
| 33 | N | B | 0.0000 | |
| 34 | P | B | 0.0000 | |
| 35 | M | B | 0.0000 | |
| 36 | G | B | 0.0000 | |
| 37 | W | B | 0.0000 | |
| 38 | F | B | 0.0000 | |
| 39 | R | B | 0.0000 | |
| 40 | Q | B | -1.7760 | |
| 41 | A | B | -1.5572 | |
| 42 | P | B | -1.1967 | |
| 43 | G | B | -1.6803 | |
| 44 | K | B | -2.6989 | |
| 45 | G | B | -2.3836 | |
| 46 | R | B | -2.5185 | |
| 47 | E | B | -2.1743 | |
| 48 | L | B | 0.0000 | |
| 49 | V | B | 0.0000 | |
| 50 | A | B | 0.0000 | |
| 51 | A | B | 0.0000 | |
| 52 | I | B | 0.0000 | |
| 53 | S | B | 0.0000 | |
| 54 | R | B | -1.1508 | |
| 55 | T | B | -0.8047 | |
| 56 | G | B | -0.9511 | |
| 57 | G | B | -0.9807 | |
| 58 | S | B | -0.7504 | |
| 59 | T | B | -0.2192 | |
| 60 | Y | B | 0.1041 | |
| 61 | Y | B | -0.7574 | |
| 62 | P | B | -1.4870 | |
| 63 | D | B | -2.5538 | |
| 64 | S | B | -1.6375 | |
| 65 | V | B | 0.0000 | |
| 66 | E | B | -2.6586 | |
| 67 | G | B | -1.7356 | |
| 68 | R | B | 0.0000 | |
| 69 | F | B | 0.0000 | |
| 70 | T | B | -0.8651 | |
| 71 | I | B | 0.0000 | |
| 72 | S | B | -0.5256 | |
| 73 | R | B | -0.9707 | |
| 74 | D | B | -1.3933 | |
| 75 | N | B | -1.5082 | |
| 76 | A | B | -1.3241 | |
| 77 | K | B | -2.4187 | |
| 78 | R | B | -1.9706 | |
| 79 | M | B | -1.0227 | |
| 80 | V | B | 0.0000 | |
| 81 | Y | B | -0.6625 | |
| 82 | L | B | 0.0000 | |
| 83 | Q | B | -1.5935 | |
| 84 | M | B | 0.0000 | |
| 85 | N | B | -1.2863 | |
| 86 | S | B | -1.1343 | |
| 87 | L | B | 0.0000 | |
| 88 | R | B | -2.2484 | |
| 89 | A | B | -1.7384 | |
| 90 | E | B | -2.2188 | |
| 91 | D | B | 0.0000 | |
| 92 | T | B | -0.8411 | |
| 93 | A | B | 0.0000 | |
| 94 | V | B | -0.5941 | |
| 95 | Y | B | 0.0000 | |
| 96 | Y | B | 0.0000 | |
| 97 | C | B | 0.0000 | |
| 98 | A | B | 0.0000 | |
| 99 | A | B | 0.0000 | |
| 100 | A | B | 0.0000 | |
| 101 | G | B | -0.6504 | |
| 102 | V | B | -0.6089 | |
| 103 | R | B | -2.2470 | |
| 104 | A | B | -2.0248 | |
| 105 | E | B | -2.7851 | |
| 106 | D | B | -2.4001 | |
| 107 | G | B | -2.0657 | |
| 108 | R | B | -2.3453 | |
| 109 | V | B | -0.6278 | |
| 110 | R | B | 0.0000 | |
| 111 | T | B | 0.5311 | |
| 112 | L | B | 1.2745 | |
| 113 | P | B | -0.0503 | |
| 114 | S | B | 0.0979 | |
| 115 | E | B | -0.1070 | |
| 116 | Y | B | 0.0000 | |
| 117 | T | B | 0.1370 | |
| 118 | F | B | -0.1258 | |
| 119 | W | B | 0.1031 | |
| 120 | G | B | -0.4268 | |
| 121 | Q | B | -1.1151 | |
| 122 | G | B | -0.8059 | |
| 123 | T | B | -0.9376 | |
| 124 | Q | B | -1.0567 | |
| 125 | V | B | 0.0000 | |
| 126 | T | B | -0.2980 | |
| 127 | V | B | 0.0000 | |
| 128 | S | B | -0.8031 | |
| 129 | S | B | -0.7229 |
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 |
|||
| TK117B | -2.1295 | -0.0396 | View | CSV | PDB |
| SE114B | -1.0016 | -0.0453 | View | CSV | PDB |
| SR114B | -0.989 | -0.0375 | View | CSV | PDB |
| TE117B | -0.7438 | -0.0435 | View | CSV | PDB |
| TD111B | -0.3033 | -0.0412 | View | CSV | PDB |
| TK111B | -0.2979 | -0.0414 | View | CSV | PDB |
| LM12B | -0.0683 | -0.0139 | View | CSV | PDB |
| YW60B | -0.8314 | -0.0019 | View | CSV | PDB |
| VM6B | -0.1207 | -0.0027 | View | CSV | PDB |
| LM112B | 0.3568 | -0.0094 | View | CSV | PDB |
| WR119B | 1.8409 | -0.0429 | View | CSV | PDB |
| VT6B | 0.7575 | -0.0154 | View | CSV | PDB |
| YH60B | 1.2329 | -0.0233 | 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