| Chain sequence(s) |
A: NFNVYKATRPYLAHCPDCGEGHSCHSPIALERIRNEATDGTLKNQVSLQIGIKTDDSHDWTKLRYMDSHTPADAERAGLLVRTSAPCTNTGTMGHFILARCPKGETLTVGFTDSRKISHTCTHPFHHEPPVIGRERFHSRPQHGKELPCSTSVQSTAATAEEIEVHMPPDTPDRTLMTQQSGNVKNTVNGQTVRYKCNCGGSNEGLTTTDKVINNCKIDQCHAAVTNHKNWQYNSPLVPRNAELGDRKGKIHIPFPLANVTCRVPKARNPTVTYGKNQVKMLLYPDHPTLLSYRNMGQEPNYHEEWVTHKKEVTKTVPTEGLEVTWGNNEPYKYWPQMSTNGTAHGHPHEIIQYYYELYPT
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 (00:05:36)
[INFO] Auto_mut: Residue number 355 from chain A and a score of 1.753 (tyrosine) selected
for automated muatation (00:05:39)
[INFO] Auto_mut: Residue number 359 from chain A and a score of 1.605 (tyrosine) selected
for automated muatation (00:05:39)
[INFO] Auto_mut: Residue number 356 from chain A and a score of 1.454 (tyrosine) selected
for automated muatation (00:05:39)
[INFO] Auto_mut: Residue number 80 from chain A and a score of 1.203 (leucine) selected for
automated muatation (00:05:39)
[INFO] Auto_mut: Residue number 131 from chain A and a score of 0.953 (valine) selected for
automated muatation (00:05:39)
[INFO] Auto_mut: Residue number 257 from chain A and a score of 0.906 (leucine) selected for
automated muatation (00:05:39)
[INFO] Auto_mut: Residue number 358 from chain A and a score of 0.895 (leucine) selected for
automated muatation (00:05:39)
[INFO] Auto_mut: Residue number 272 from chain A and a score of 0.776 (valine) selected for
automated muatation (00:05:39)
[INFO] Auto_mut: Residue number 352 from chain A and a score of 0.681 (isoleucine) selected
for automated muatation (00:05:39)
[INFO] Auto_mut: Residue number 273 from chain A and a score of 0.641 (threonine) selected
for automated muatation (00:05:39)
[INFO] Auto_mut: Mutating residue number 355 from chain A (tyrosine) into glutamic acid (00:05:39)
[INFO] Auto_mut: Mutating residue number 359 from chain A (tyrosine) into glutamic acid (00:05:39)
[INFO] Auto_mut: Mutating residue number 356 from chain A (tyrosine) into glutamic acid (00:05:39)
[INFO] Auto_mut: Mutating residue number 356 from chain A (tyrosine) into lysine (00:08:33)
[INFO] Auto_mut: Mutating residue number 355 from chain A (tyrosine) into lysine (00:08:35)
[INFO] Auto_mut: Mutating residue number 359 from chain A (tyrosine) into lysine (00:08:35)
[INFO] Auto_mut: Mutating residue number 356 from chain A (tyrosine) into aspartic acid (00:11:35)
[INFO] Auto_mut: Mutating residue number 359 from chain A (tyrosine) into aspartic acid (00:11:40)
[INFO] Auto_mut: Mutating residue number 355 from chain A (tyrosine) into aspartic acid (00:11:53)
[INFO] Auto_mut: Mutating residue number 356 from chain A (tyrosine) into arginine (00:14:29)
[INFO] Auto_mut: Mutating residue number 359 from chain A (tyrosine) into arginine (00:14:33)
[INFO] Auto_mut: Mutating residue number 355 from chain A (tyrosine) into arginine (00:14:48)
[INFO] Auto_mut: Mutating residue number 80 from chain A (leucine) into glutamic acid (00:17:37)
[INFO] Auto_mut: Mutating residue number 131 from chain A (valine) into glutamic acid (00:17:39)
[INFO] Auto_mut: Mutating residue number 257 from chain A (leucine) into glutamic acid (00:18:11)
[INFO] Auto_mut: Mutating residue number 80 from chain A (leucine) into lysine (00:20:43)
[INFO] Auto_mut: Mutating residue number 131 from chain A (valine) into lysine (00:20:53)
[INFO] Auto_mut: Mutating residue number 257 from chain A (leucine) into lysine (00:21:13)
[INFO] Auto_mut: Mutating residue number 80 from chain A (leucine) into aspartic acid (00:24:00)
[INFO] Auto_mut: Mutating residue number 131 from chain A (valine) into aspartic acid (00:24:12)
[INFO] Auto_mut: Mutating residue number 257 from chain A (leucine) into aspartic acid (00:24:22)
[INFO] Auto_mut: Mutating residue number 80 from chain A (leucine) into arginine (00:27:02)
[INFO] Auto_mut: Mutating residue number 257 from chain A (leucine) into arginine (00:27:16)
[INFO] Auto_mut: Mutating residue number 131 from chain A (valine) into arginine (00:27:16)
[INFO] Auto_mut: Mutating residue number 358 from chain A (leucine) into glutamic acid (00:30:12)
[INFO] Auto_mut: Mutating residue number 272 from chain A (valine) into glutamic acid (00:30:24)
[INFO] Auto_mut: Mutating residue number 352 from chain A (isoleucine) into glutamic acid (00:30:25)
[INFO] Auto_mut: Mutating residue number 272 from chain A (valine) into lysine (00:33:21)
[INFO] Auto_mut: Mutating residue number 358 from chain A (leucine) into lysine (00:33:23)
[INFO] Auto_mut: Mutating residue number 352 from chain A (isoleucine) into lysine (00:33:24)
[INFO] Auto_mut: Mutating residue number 358 from chain A (leucine) into aspartic acid (00:36:33)
[INFO] Auto_mut: Mutating residue number 352 from chain A (isoleucine) into aspartic acid (00:36:34)
[INFO] Auto_mut: Mutating residue number 272 from chain A (valine) into aspartic acid (00:36:40)
[INFO] Auto_mut: Mutating residue number 352 from chain A (isoleucine) into arginine (00:39:30)
[INFO] Auto_mut: Mutating residue number 358 from chain A (leucine) into arginine (00:39:38)
[INFO] Auto_mut: Mutating residue number 272 from chain A (valine) into arginine (00:39:43)
[INFO] Auto_mut: Mutating residue number 273 from chain A (threonine) into glutamic acid (00:42:34)
[INFO] Auto_mut: Mutating residue number 273 from chain A (threonine) into lysine (00:45:26)
[INFO] Auto_mut: Mutating residue number 273 from chain A (threonine) into aspartic acid (00:48:35)
[INFO] Auto_mut: Mutating residue number 273 from chain A (threonine) into arginine (00:51:33)
[INFO] Auto_mut: Effect of mutation residue number 355 from chain A (tyrosine) into glutamic
acid: Energy difference: 0.7470 kcal/mol, Difference in average score from
the base case: -0.0406 (00:54:33)
[INFO] Auto_mut: Effect of mutation residue number 355 from chain A (tyrosine) into lysine:
Energy difference: 0.0558 kcal/mol, Difference in average score from the
base case: -0.0406 (00:54:33)
[INFO] Auto_mut: Effect of mutation residue number 355 from chain A (tyrosine) into aspartic
acid: Energy difference: 1.6587 kcal/mol, Difference in average score from
the base case: -0.0362 (00:54:33)
[INFO] Auto_mut: Effect of mutation residue number 355 from chain A (tyrosine) into
arginine: Energy difference: 0.3531 kcal/mol, Difference in average score
from the base case: -0.0329 (00:54:33)
[INFO] Auto_mut: Effect of mutation residue number 359 from chain A (tyrosine) into glutamic
acid: Energy difference: 1.0061 kcal/mol, Difference in average score from
the base case: -0.0347 (00:54:33)
[INFO] Auto_mut: Effect of mutation residue number 359 from chain A (tyrosine) into lysine:
Energy difference: 0.1451 kcal/mol, Difference in average score from the
base case: -0.0379 (00:54:33)
[INFO] Auto_mut: Effect of mutation residue number 359 from chain A (tyrosine) into aspartic
acid: Energy difference: 1.0094 kcal/mol, Difference in average score from
the base case: -0.0336 (00:54:33)
[INFO] Auto_mut: Effect of mutation residue number 359 from chain A (tyrosine) into
arginine: Energy difference: 0.2686 kcal/mol, Difference in average score
from the base case: -0.0399 (00:54:33)
[INFO] Auto_mut: Effect of mutation residue number 356 from chain A (tyrosine) into glutamic
acid: Energy difference: 0.6208 kcal/mol, Difference in average score from
the base case: -0.0363 (00:54:33)
[INFO] Auto_mut: Effect of mutation residue number 356 from chain A (tyrosine) into lysine:
Energy difference: -0.2860 kcal/mol, Difference in average score from the
base case: -0.0416 (00:54:33)
[INFO] Auto_mut: Effect of mutation residue number 356 from chain A (tyrosine) into aspartic
acid: Energy difference: 1.5261 kcal/mol, Difference in average score from
the base case: -0.0340 (00:54:33)
[INFO] Auto_mut: Effect of mutation residue number 356 from chain A (tyrosine) into
arginine: Energy difference: -0.1035 kcal/mol, Difference in average score
from the base case: -0.0352 (00:54:33)
[INFO] Auto_mut: Effect of mutation residue number 80 from chain A (leucine) into glutamic
acid: Energy difference: 0.3228 kcal/mol, Difference in average score from
the base case: -0.0504 (00:54:33)
[INFO] Auto_mut: Effect of mutation residue number 80 from chain A (leucine) into lysine:
Energy difference: 0.0851 kcal/mol, Difference in average score from the
base case: -0.0458 (00:54:33)
[INFO] Auto_mut: Effect of mutation residue number 80 from chain A (leucine) into aspartic
acid: Energy difference: 0.2874 kcal/mol, Difference in average score from
the base case: -0.0432 (00:54:33)
[INFO] Auto_mut: Effect of mutation residue number 80 from chain A (leucine) into arginine:
Energy difference: 0.0910 kcal/mol, Difference in average score from the
base case: -0.0435 (00:54:33)
[INFO] Auto_mut: Effect of mutation residue number 131 from chain A (valine) into glutamic
acid: Energy difference: 0.0726 kcal/mol, Difference in average score from
the base case: -0.0308 (00:54:33)
[INFO] Auto_mut: Effect of mutation residue number 131 from chain A (valine) into lysine:
Energy difference: -0.0276 kcal/mol, Difference in average score from the
base case: -0.0317 (00:54:33)
[INFO] Auto_mut: Effect of mutation residue number 131 from chain A (valine) into aspartic
acid: Energy difference: 0.4240 kcal/mol, Difference in average score from
the base case: -0.0440 (00:54:33)
[INFO] Auto_mut: Effect of mutation residue number 131 from chain A (valine) into arginine:
Energy difference: 0.1760 kcal/mol, Difference in average score from the
base case: -0.0340 (00:54:33)
[INFO] Auto_mut: Effect of mutation residue number 257 from chain A (leucine) into glutamic
acid: Energy difference: 0.9607 kcal/mol, Difference in average score from
the base case: -0.0449 (00:54:33)
[INFO] Auto_mut: Effect of mutation residue number 257 from chain A (leucine) into lysine:
Energy difference: 0.3713 kcal/mol, Difference in average score from the
base case: -0.0427 (00:54:33)
[INFO] Auto_mut: Effect of mutation residue number 257 from chain A (leucine) into aspartic
acid: Energy difference: 0.9634 kcal/mol, Difference in average score from
the base case: -0.0443 (00:54:33)
[INFO] Auto_mut: Effect of mutation residue number 257 from chain A (leucine) into arginine:
Energy difference: 0.3286 kcal/mol, Difference in average score from the
base case: -0.0424 (00:54:33)
[INFO] Auto_mut: Effect of mutation residue number 358 from chain A (leucine) into glutamic
acid: Energy difference: 2.2818 kcal/mol, Difference in average score from
the base case: -0.0161 (00:54:33)
[INFO] Auto_mut: Effect of mutation residue number 358 from chain A (leucine) into lysine:
Energy difference: 1.3428 kcal/mol, Difference in average score from the
base case: -0.0210 (00:54:33)
[INFO] Auto_mut: Effect of mutation residue number 358 from chain A (leucine) into aspartic
acid: Energy difference: 3.2435 kcal/mol, Difference in average score from
the base case: -0.0266 (00:54:33)
[INFO] Auto_mut: Effect of mutation residue number 358 from chain A (leucine) into arginine:
Energy difference: 1.6884 kcal/mol, Difference in average score from the
base case: -0.0347 (00:54:33)
[INFO] Auto_mut: Effect of mutation residue number 272 from chain A (valine) into glutamic
acid: Energy difference: 0.4029 kcal/mol, Difference in average score from
the base case: -0.0326 (00:54:33)
[INFO] Auto_mut: Effect of mutation residue number 272 from chain A (valine) into lysine:
Energy difference: 0.0248 kcal/mol, Difference in average score from the
base case: -0.0275 (00:54:33)
[INFO] Auto_mut: Effect of mutation residue number 272 from chain A (valine) into aspartic
acid: Energy difference: 1.3654 kcal/mol, Difference in average score from
the base case: -0.0299 (00:54:33)
[INFO] Auto_mut: Effect of mutation residue number 272 from chain A (valine) into arginine:
Energy difference: 0.1838 kcal/mol, Difference in average score from the
base case: -0.0234 (00:54:33)
[INFO] Auto_mut: Effect of mutation residue number 352 from chain A (isoleucine) into
glutamic acid: Energy difference: 0.6251 kcal/mol, Difference in average
score from the base case: -0.0480 (00:54:33)
[INFO] Auto_mut: Effect of mutation residue number 352 from chain A (isoleucine) into
lysine: Energy difference: 0.4041 kcal/mol, Difference in average score
from the base case: -0.0459 (00:54:33)
[INFO] Auto_mut: Effect of mutation residue number 352 from chain A (isoleucine) into
aspartic acid: Energy difference: 0.9364 kcal/mol, Difference in average
score from the base case: -0.0413 (00:54:33)
[INFO] Auto_mut: Effect of mutation residue number 352 from chain A (isoleucine) into
arginine: Energy difference: 0.8652 kcal/mol, Difference in average score
from the base case: -0.0483 (00:54:33)
[INFO] Auto_mut: Effect of mutation residue number 273 from chain A (threonine) into
glutamic acid: Energy difference: -0.1920 kcal/mol, Difference in average
score from the base case: -0.0211 (00:54:33)
[INFO] Auto_mut: Effect of mutation residue number 273 from chain A (threonine) into lysine:
Energy difference: -0.4631 kcal/mol, Difference in average score from the
base case: -0.0217 (00:54:33)
[INFO] Auto_mut: Effect of mutation residue number 273 from chain A (threonine) into
aspartic acid: Energy difference: 0.6720 kcal/mol, Difference in average
score from the base case: -0.0233 (00:54:33)
[INFO] Auto_mut: Effect of mutation residue number 273 from chain A (threonine) into
arginine: Energy difference: -0.0318 kcal/mol, Difference in average score
from the base case: -0.0251 (00:54:33)
[INFO] Main: Simulation completed successfully. (00:54:45)
|
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 | N | A | -1.4907 | |
| 2 | F | A | -1.3757 | |
| 3 | N | A | -1.9337 | |
| 4 | V | A | -0.9922 | |
| 5 | Y | A | 0.0000 | |
| 6 | K | A | -2.3527 | |
| 7 | A | A | -1.3789 | |
| 8 | T | A | -0.8096 | |
| 9 | R | A | -0.6594 | |
| 10 | P | A | 0.0000 | |
| 11 | Y | A | 0.0000 | |
| 12 | L | A | 0.3883 | |
| 13 | A | A | 0.0000 | |
| 14 | H | A | -0.8939 | |
| 15 | C | A | 0.0000 | |
| 16 | P | A | -1.2427 | |
| 17 | D | A | -1.9249 | |
| 18 | C | A | -1.5724 | |
| 19 | G | A | -1.8672 | |
| 20 | E | A | -2.6738 | |
| 21 | G | A | -2.1607 | |
| 22 | H | A | -2.0848 | |
| 23 | S | A | -1.5821 | |
| 24 | C | A | -0.9715 | |
| 25 | H | A | -1.0619 | |
| 26 | S | A | 0.0000 | |
| 27 | P | A | -0.3716 | |
| 28 | I | A | 0.0000 | |
| 29 | A | A | 0.0000 | |
| 30 | L | A | 0.0000 | |
| 31 | E | A | -1.3511 | |
| 32 | R | A | -2.3194 | |
| 33 | I | A | -1.9603 | |
| 34 | R | A | -2.9988 | |
| 35 | N | A | -2.9639 | |
| 36 | E | A | -2.7798 | |
| 37 | A | A | -1.5705 | |
| 38 | T | A | -0.9016 | |
| 39 | D | A | -1.1423 | |
| 40 | G | A | -1.6971 | |
| 41 | T | A | 0.0000 | |
| 42 | L | A | -1.4036 | |
| 43 | K | A | -1.4523 | |
| 44 | N | A | 0.0000 | |
| 45 | Q | A | -0.9882 | |
| 46 | V | A | 0.0000 | |
| 47 | S | A | 0.0000 | |
| 48 | L | A | 0.0000 | |
| 49 | Q | A | 0.0000 | |
| 50 | I | A | 0.0000 | |
| 51 | G | A | 0.0000 | |
| 52 | I | A | 0.0000 | |
| 53 | K | A | -1.7625 | |
| 54 | T | A | -1.8201 | |
| 55 | D | A | -2.6453 | |
| 56 | D | A | -2.6772 | |
| 57 | S | A | -1.9429 | |
| 58 | H | A | -1.7792 | |
| 59 | D | A | -1.0223 | |
| 60 | W | A | -0.1861 | |
| 61 | T | A | -0.9019 | |
| 62 | K | A | -1.6819 | |
| 63 | L | A | 0.0000 | |
| 64 | R | A | 0.0000 | |
| 65 | Y | A | 0.0000 | |
| 66 | M | A | -0.9078 | |
| 67 | D | A | -2.0411 | |
| 68 | S | A | -1.3133 | |
| 69 | H | A | -1.3438 | |
| 70 | T | A | -1.0931 | |
| 71 | P | A | -1.0218 | |
| 72 | A | A | -0.8269 | |
| 73 | D | A | -1.4299 | |
| 74 | A | A | 0.0000 | |
| 75 | E | A | -2.4732 | |
| 76 | R | A | -1.5400 | |
| 77 | A | A | -0.7314 | |
| 78 | G | A | -0.4195 | |
| 79 | L | A | 0.4071 | |
| 80 | L | A | 1.2032 | |
| 81 | V | A | 0.1237 | |
| 82 | R | A | -0.9630 | |
| 83 | T | A | 0.0000 | |
| 84 | S | A | -1.1386 | |
| 85 | A | A | -0.6418 | |
| 86 | P | A | -0.6362 | |
| 87 | C | A | -0.6965 | |
| 88 | T | A | -0.7813 | |
| 89 | N | A | -0.7825 | |
| 90 | T | A | -0.8201 | |
| 91 | G | A | -0.4903 | |
| 92 | T | A | -0.1493 | |
| 93 | M | A | 0.0000 | |
| 94 | G | A | 0.0000 | |
| 95 | H | A | -0.1330 | |
| 96 | F | A | 0.0000 | |
| 97 | I | A | -0.0741 | |
| 98 | L | A | 0.0000 | |
| 99 | A | A | 0.0000 | |
| 100 | R | A | -1.6923 | |
| 101 | C | A | -1.3322 | |
| 102 | P | A | -1.6573 | |
| 103 | K | A | -2.8949 | |
| 104 | G | A | -2.5298 | |
| 105 | E | A | -2.8115 | |
| 106 | T | A | -1.5772 | |
| 107 | L | A | 0.0000 | |
| 108 | T | A | -0.3206 | |
| 109 | V | A | 0.0000 | |
| 110 | G | A | 0.1917 | |
| 111 | F | A | 0.0000 | |
| 112 | T | A | -0.8389 | |
| 113 | D | A | -1.6619 | |
| 114 | S | A | -1.8108 | |
| 115 | R | A | -2.3803 | |
| 116 | K | A | -1.9610 | |
| 117 | I | A | 0.0916 | |
| 118 | S | A | -0.2536 | |
| 119 | H | A | -0.1018 | |
| 120 | T | A | -0.2311 | |
| 121 | C | A | 0.0000 | |
| 122 | T | A | -0.6011 | |
| 123 | H | A | -0.7515 | |
| 124 | P | A | -0.8601 | |
| 125 | F | A | -0.8280 | |
| 126 | H | A | -2.2761 | |
| 127 | H | A | -2.6763 | |
| 128 | E | A | -2.7763 | |
| 129 | P | A | -1.3610 | |
| 130 | P | A | -0.1849 | |
| 131 | V | A | 0.9530 | |
| 132 | I | A | 0.3219 | |
| 133 | G | A | -0.6170 | |
| 134 | R | A | -0.8366 | |
| 135 | E | A | 0.0000 | |
| 136 | R | A | -1.7433 | |
| 137 | F | A | -1.2297 | |
| 138 | H | A | -1.6002 | |
| 139 | S | A | -1.7600 | |
| 140 | R | A | -2.8724 | |
| 141 | P | A | -2.6755 | |
| 142 | Q | A | -2.5726 | |
| 143 | H | A | -2.7796 | |
| 144 | G | A | -3.2518 | |
| 145 | K | A | -3.2026 | |
| 146 | E | A | -2.6883 | |
| 147 | L | A | -1.1275 | |
| 148 | P | A | -0.6689 | |
| 149 | C | A | -0.5451 | |
| 150 | S | A | -0.3725 | |
| 151 | T | A | -0.2465 | |
| 152 | S | A | 0.0203 | |
| 153 | V | A | 0.2273 | |
| 154 | Q | A | -0.8171 | |
| 155 | S | A | -0.5115 | |
| 156 | T | A | -0.4544 | |
| 157 | A | A | -0.3647 | |
| 158 | A | A | -0.5971 | |
| 159 | T | A | -0.8601 | |
| 160 | A | A | -1.2838 | |
| 161 | E | A | -2.6084 | |
| 162 | E | A | -3.0616 | |
| 163 | I | A | -1.7565 | |
| 164 | E | A | -2.2811 | |
| 165 | V | A | 0.0000 | |
| 166 | H | A | -2.5233 | |
| 167 | M | A | -1.7501 | |
| 168 | P | A | 0.0000 | |
| 169 | P | A | -1.6716 | |
| 170 | D | A | -2.1253 | |
| 171 | T | A | -1.2424 | |
| 172 | P | A | -1.4434 | |
| 173 | D | A | -1.6400 | |
| 174 | R | A | -2.1764 | |
| 175 | T | A | -1.0939 | |
| 176 | L | A | 0.0000 | |
| 177 | M | A | -1.0667 | |
| 178 | T | A | -1.1733 | |
| 179 | Q | A | -2.0129 | |
| 180 | Q | A | -2.0081 | |
| 181 | S | A | -1.6687 | |
| 182 | G | A | -2.0118 | |
| 183 | N | A | -1.9940 | |
| 184 | V | A | 0.0000 | |
| 185 | K | A | -1.3445 | |
| 186 | N | A | -1.2406 | |
| 187 | T | A | -1.3194 | |
| 188 | V | A | 0.0000 | |
| 189 | N | A | -1.8448 | |
| 190 | G | A | -1.2124 | |
| 191 | Q | A | -1.1645 | |
| 192 | T | A | -0.7104 | |
| 193 | V | A | 0.0000 | |
| 194 | R | A | -1.4068 | |
| 195 | Y | A | -1.4649 | |
| 196 | K | A | -2.6517 | |
| 197 | C | A | 0.0000 | |
| 198 | N | A | -2.7300 | |
| 199 | C | A | -2.2135 | |
| 200 | G | A | -1.5667 | |
| 201 | G | A | -1.3614 | |
| 202 | S | A | -2.1488 | |
| 203 | N | A | -2.7651 | |
| 204 | E | A | -2.8295 | |
| 205 | G | A | -0.9434 | |
| 206 | L | A | 0.6028 | |
| 207 | T | A | -0.2840 | |
| 208 | T | A | -0.7423 | |
| 209 | T | A | -1.3949 | |
| 210 | D | A | -2.4893 | |
| 211 | K | A | -1.6288 | |
| 212 | V | A | -0.3225 | |
| 213 | I | A | -0.9288 | |
| 214 | N | A | -1.9903 | |
| 215 | N | A | -2.3262 | |
| 216 | C | A | 0.0000 | |
| 217 | K | A | -2.7832 | |
| 218 | I | A | -1.9042 | |
| 219 | D | A | -2.6151 | |
| 220 | Q | A | -2.3721 | |
| 221 | C | A | -2.1613 | |
| 222 | H | A | -2.1869 | |
| 223 | A | A | 0.0000 | |
| 224 | A | A | 0.0000 | |
| 225 | V | A | 0.0000 | |
| 226 | T | A | -1.2147 | |
| 227 | N | A | -2.1565 | |
| 228 | H | A | -1.8689 | |
| 229 | K | A | -2.2250 | |
| 230 | N | A | -1.7461 | |
| 231 | W | A | -1.1095 | |
| 232 | Q | A | 0.0000 | |
| 233 | Y | A | -0.2209 | |
| 234 | N | A | -1.2276 | |
| 235 | S | A | 0.0000 | |
| 236 | P | A | -0.2690 | |
| 237 | L | A | 0.2754 | |
| 238 | V | A | -0.2282 | |
| 239 | P | A | -1.4382 | |
| 240 | R | A | -2.9248 | |
| 241 | N | A | -2.8986 | |
| 242 | A | A | -1.9207 | |
| 243 | E | A | -1.9860 | |
| 244 | L | A | -0.6320 | |
| 245 | G | A | -2.3276 | |
| 246 | D | A | -3.2485 | |
| 247 | R | A | -3.8086 | |
| 248 | K | A | -3.2972 | |
| 249 | G | A | -2.3231 | |
| 250 | K | A | -2.7846 | |
| 251 | I | A | 0.0000 | |
| 252 | H | A | -1.5937 | |
| 253 | I | A | -0.8983 | |
| 254 | P | A | 0.0000 | |
| 255 | F | A | 0.0000 | |
| 256 | P | A | 0.2785 | |
| 257 | L | A | 0.9059 | |
| 258 | A | A | 0.3464 | |
| 259 | N | A | -0.5932 | |
| 260 | V | A | 0.1721 | |
| 261 | T | A | -0.7479 | |
| 262 | C | A | -1.5743 | |
| 263 | R | A | -3.3775 | |
| 264 | V | A | 0.0000 | |
| 265 | P | A | -2.9054 | |
| 266 | K | A | -2.8350 | |
| 267 | A | A | -2.3152 | |
| 268 | R | A | -2.9358 | |
| 269 | N | A | -2.1541 | |
| 270 | P | A | -0.7538 | |
| 271 | T | A | -0.2820 | |
| 272 | V | A | 0.7758 | |
| 273 | T | A | 0.6410 | |
| 274 | Y | A | 0.5166 | |
| 275 | G | A | -1.0407 | |
| 276 | K | A | -2.2605 | |
| 277 | N | A | -2.0079 | |
| 278 | Q | A | -1.6221 | |
| 279 | V | A | 0.0000 | |
| 280 | K | A | -0.7689 | |
| 281 | M | A | 0.0000 | |
| 282 | L | A | -0.7567 | |
| 283 | L | A | 0.0000 | |
| 284 | Y | A | -1.3182 | |
| 285 | P | A | -1.7556 | |
| 286 | D | A | -2.5184 | |
| 287 | H | A | -1.6650 | |
| 288 | P | A | -1.0114 | |
| 289 | T | A | 0.0000 | |
| 290 | L | A | -0.7936 | |
| 291 | L | A | 0.0000 | |
| 292 | S | A | 0.0000 | |
| 293 | Y | A | -1.5344 | |
| 294 | R | A | -2.6008 | |
| 295 | N | A | -2.4907 | |
| 296 | M | A | -2.2212 | |
| 297 | G | A | -2.3142 | |
| 298 | Q | A | -2.7251 | |
| 299 | E | A | -3.1092 | |
| 300 | P | A | -2.4946 | |
| 301 | N | A | -2.1936 | |
| 302 | Y | A | -1.1233 | |
| 303 | H | A | -2.2666 | |
| 304 | E | A | -2.7514 | |
| 305 | E | A | -2.4093 | |
| 306 | W | A | -0.5856 | |
| 307 | V | A | 0.0000 | |
| 308 | T | A | -1.2305 | |
| 309 | H | A | -2.0838 | |
| 310 | K | A | -2.6882 | |
| 311 | K | A | -2.0791 | |
| 312 | E | A | -2.2101 | |
| 313 | V | A | -0.9932 | |
| 314 | T | A | -0.9124 | |
| 315 | K | A | -0.8401 | |
| 316 | T | A | -1.1397 | |
| 317 | V | A | 0.0000 | |
| 318 | P | A | -0.8245 | |
| 319 | T | A | -1.0832 | |
| 320 | E | A | -1.8875 | |
| 321 | G | A | 0.0000 | |
| 322 | L | A | 0.0000 | |
| 323 | E | A | -1.2062 | |
| 324 | V | A | 0.0000 | |
| 325 | T | A | -0.9390 | |
| 326 | W | A | 0.0000 | |
| 327 | G | A | 0.0000 | |
| 328 | N | A | -1.6297 | |
| 329 | N | A | -2.1645 | |
| 330 | E | A | -2.0127 | |
| 331 | P | A | -1.4250 | |
| 332 | Y | A | -1.0928 | |
| 333 | K | A | -1.3572 | |
| 334 | Y | A | -0.4042 | |
| 335 | W | A | 0.0322 | |
| 336 | P | A | -0.7068 | |
| 337 | Q | A | -0.8628 | |
| 338 | M | A | 0.0291 | |
| 339 | S | A | -0.7261 | |
| 340 | T | A | -0.9338 | |
| 341 | N | A | -1.8714 | |
| 342 | G | A | -1.1899 | |
| 343 | T | A | -0.9103 | |
| 344 | A | A | -0.4761 | |
| 345 | H | A | -1.4459 | |
| 346 | G | A | -1.6887 | |
| 347 | H | A | -1.7964 | |
| 348 | P | A | -1.3795 | |
| 349 | H | A | -1.5108 | |
| 350 | E | A | -1.5500 | |
| 351 | I | A | -0.0977 | |
| 352 | I | A | 0.6810 | |
| 353 | Q | A | -0.6891 | |
| 354 | Y | A | 0.1401 | |
| 355 | Y | A | 1.7526 | |
| 356 | Y | A | 1.4540 | |
| 357 | E | A | -0.5581 | |
| 358 | L | A | 0.8947 | |
| 359 | Y | A | 1.6053 | |
| 360 | P | A | 0.5240 | |
| 361 | T | A | 0.2546 |
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 |
|||
| YK356A | -0.286 | -0.0416 | View | CSV | PDB |
| YR356A | -0.1035 | -0.0352 | View | CSV | PDB |
| TK273A | -0.4631 | -0.0217 | View | CSV | PDB |
| VK131A | -0.0276 | -0.0317 | View | CSV | PDB |
| TE273A | -0.192 | -0.0211 | View | CSV | PDB |
| VK272A | 0.0248 | -0.0275 | View | CSV | PDB |
| YK355A | 0.0558 | -0.0406 | View | CSV | PDB |
| LK80A | 0.0851 | -0.0458 | View | CSV | PDB |
| LR80A | 0.091 | -0.0435 | View | CSV | PDB |
| VE131A | 0.0726 | -0.0308 | View | CSV | PDB |
| YK359A | 0.1451 | -0.0379 | View | CSV | PDB |
| YR359A | 0.2686 | -0.0399 | View | CSV | PDB |
| LR257A | 0.3286 | -0.0424 | View | CSV | PDB |
| VR272A | 0.1838 | -0.0234 | View | CSV | PDB |
| LK257A | 0.3713 | -0.0427 | View | CSV | PDB |
| IK352A | 0.4041 | -0.0459 | View | CSV | PDB |
| YR355A | 0.3531 | -0.0329 | View | CSV | PDB |
| IE352A | 0.6251 | -0.048 | View | CSV | PDB |
| LR358A | 1.6884 | -0.0347 | View | CSV | PDB |
| LK358A | 1.3428 | -0.021 | 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