| Chain sequence(s) |
A: NFNVYKATRPYLAHCPDCGEGHSCHSPIALERIRNEATDGTLKNQVSLQIGIKTDDSHDWTKLRYMDSHTPADAERAGLLVRTSAPCTNTGTMGHFILARCPKGETLTVGFTDSRKISHTCTHPFHHEPPVIGRERFHSRPQHGKELPCSTSVQSTAATAEEIEVHMPPDTPDRTLMTQQSGNVKNTVNGQTVRYKCNCGGSNEGLTTTDKVINNCKIDQCHAAVTNHKNWQYNSPLVPRNAELGDRKGKIHIPFPLANVTCRVPKARNPTVTYGKNQVKMLLYPDHPTLLSYRNMGQEPNYHEEWVTHKKEVTKTVPTEGLEVTWGNNEPYKYWPQMSTNGTAHGHPHEIIQYYYELYPTMTQVNQSVASSVLESMVGTAKGMCVCARRRCITPYELTPGATVPFELSQKCCA
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 (00:05:19)
[INFO] Auto_mut: Residue number 373 from chain A and a score of 1.973 (valine) selected for
automated muatation (00:05:21)
[INFO] Auto_mut: Residue number 374 from chain A and a score of 1.867 (leucine) selected for
automated muatation (00:05:21)
[INFO] Auto_mut: Residue number 355 from chain A and a score of 1.631 (tyrosine) selected
for automated muatation (00:05:21)
[INFO] Auto_mut: Residue number 369 from chain A and a score of 1.571 (valine) selected for
automated muatation (00:05:21)
[INFO] Auto_mut: Residue number 377 from chain A and a score of 1.353 (methionine) selected
for automated muatation (00:05:21)
[INFO] Auto_mut: Residue number 359 from chain A and a score of 1.328 (tyrosine) selected
for automated muatation (00:05:21)
[INFO] Auto_mut: Residue number 80 from chain A and a score of 1.163 (leucine) selected for
automated muatation (00:05:21)
[INFO] Auto_mut: Residue number 352 from chain A and a score of 1.056 (isoleucine) selected
for automated muatation (00:05:21)
[INFO] Auto_mut: Residue number 362 from chain A and a score of 1.042 (methionine) selected
for automated muatation (00:05:21)
[INFO] Auto_mut: Residue number 356 from chain A and a score of 1.042 (tyrosine) selected
for automated muatation (00:05:21)
[INFO] Auto_mut: Mutating residue number 373 from chain A (valine) into glutamic acid (00:05:21)
[INFO] Auto_mut: Mutating residue number 374 from chain A (leucine) into glutamic acid (00:05:21)
[INFO] Auto_mut: Mutating residue number 355 from chain A (tyrosine) into glutamic acid (00:05:21)
[INFO] Auto_mut: Mutating residue number 373 from chain A (valine) into lysine (00:08:03)
[INFO] Auto_mut: Mutating residue number 374 from chain A (leucine) into lysine (00:08:05)
[INFO] Auto_mut: Mutating residue number 355 from chain A (tyrosine) into lysine (00:08:07)
[INFO] Auto_mut: Mutating residue number 374 from chain A (leucine) into aspartic acid (00:10:50)
[INFO] Auto_mut: Mutating residue number 373 from chain A (valine) into aspartic acid (00:10:59)
[INFO] Auto_mut: Mutating residue number 355 from chain A (tyrosine) into aspartic acid (00:11:06)
[INFO] Auto_mut: Mutating residue number 374 from chain A (leucine) into arginine (00:13:27)
[INFO] Auto_mut: Mutating residue number 373 from chain A (valine) into arginine (00:13:37)
[INFO] Auto_mut: Mutating residue number 355 from chain A (tyrosine) into arginine (00:13:48)
[INFO] Auto_mut: Mutating residue number 369 from chain A (valine) into glutamic acid (00:16:14)
[INFO] Auto_mut: Mutating residue number 377 from chain A (methionine) into glutamic acid (00:16:24)
[INFO] Auto_mut: Mutating residue number 359 from chain A (tyrosine) into glutamic acid (00:16:43)
[INFO] Auto_mut: Mutating residue number 369 from chain A (valine) into lysine (00:18:58)
[INFO] Auto_mut: Mutating residue number 377 from chain A (methionine) into lysine (00:19:06)
[INFO] Auto_mut: Mutating residue number 359 from chain A (tyrosine) into lysine (00:19:21)
[INFO] Auto_mut: Mutating residue number 369 from chain A (valine) into aspartic acid (00:21:47)
[INFO] Auto_mut: Mutating residue number 377 from chain A (methionine) into aspartic acid (00:21:57)
[INFO] Auto_mut: Mutating residue number 359 from chain A (tyrosine) into aspartic acid (00:22:07)
[INFO] Auto_mut: Mutating residue number 369 from chain A (valine) into arginine (00:24:29)
[INFO] Auto_mut: Mutating residue number 377 from chain A (methionine) into arginine (00:24:37)
[INFO] Auto_mut: Mutating residue number 359 from chain A (tyrosine) into arginine (00:24:45)
[INFO] Auto_mut: Mutating residue number 80 from chain A (leucine) into glutamic acid (00:27:13)
[INFO] Auto_mut: Mutating residue number 352 from chain A (isoleucine) into glutamic acid (00:27:24)
[INFO] Auto_mut: Mutating residue number 362 from chain A (methionine) into glutamic acid (00:27:28)
[INFO] Auto_mut: Mutating residue number 80 from chain A (leucine) into lysine (00:29:57)
[INFO] Auto_mut: Mutating residue number 362 from chain A (methionine) into lysine (00:30:16)
[INFO] Auto_mut: Mutating residue number 352 from chain A (isoleucine) into lysine (00:30:20)
[INFO] Auto_mut: Mutating residue number 80 from chain A (leucine) into aspartic acid (00:32:59)
[INFO] Auto_mut: Mutating residue number 362 from chain A (methionine) into aspartic acid (00:33:05)
[INFO] Auto_mut: Mutating residue number 352 from chain A (isoleucine) into aspartic acid (00:33:13)
[INFO] Auto_mut: Mutating residue number 80 from chain A (leucine) into arginine (00:35:36)
[INFO] Auto_mut: Mutating residue number 362 from chain A (methionine) into arginine (00:35:45)
[INFO] Auto_mut: Mutating residue number 352 from chain A (isoleucine) into arginine (00:35:58)
[INFO] Auto_mut: Mutating residue number 356 from chain A (tyrosine) into glutamic acid (00:38:25)
[INFO] Auto_mut: Mutating residue number 356 from chain A (tyrosine) into lysine (00:40:49)
[INFO] Auto_mut: Mutating residue number 356 from chain A (tyrosine) into aspartic acid (00:43:29)
[INFO] Auto_mut: Mutating residue number 356 from chain A (tyrosine) into arginine (00:45:50)
[INFO] Auto_mut: Effect of mutation residue number 373 from chain A (valine) into glutamic
acid: Energy difference: -0.2769 kcal/mol, Difference in average score from
the base case: -0.0277 (00:48:17)
[INFO] Auto_mut: Effect of mutation residue number 373 from chain A (valine) into lysine:
Energy difference: -0.7846 kcal/mol, Difference in average score from the
base case: -0.0269 (00:48:17)
[INFO] Auto_mut: Effect of mutation residue number 373 from chain A (valine) into aspartic
acid: Energy difference: 0.3573 kcal/mol, Difference in average score from
the base case: -0.0253 (00:48:17)
[INFO] Auto_mut: Effect of mutation residue number 373 from chain A (valine) into arginine:
Energy difference: -0.7972 kcal/mol, Difference in average score from the
base case: -0.0267 (00:48:17)
[INFO] Auto_mut: Effect of mutation residue number 374 from chain A (leucine) into glutamic
acid: Energy difference: 0.5501 kcal/mol, Difference in average score from
the base case: -0.0289 (00:48:17)
[INFO] Auto_mut: Effect of mutation residue number 374 from chain A (leucine) into lysine:
Energy difference: 0.2996 kcal/mol, Difference in average score from the
base case: -0.0300 (00:48:17)
[INFO] Auto_mut: Effect of mutation residue number 374 from chain A (leucine) into aspartic
acid: Energy difference: 0.9197 kcal/mol, Difference in average score from
the base case: -0.0300 (00:48:17)
[INFO] Auto_mut: Effect of mutation residue number 374 from chain A (leucine) into arginine:
Energy difference: -0.0512 kcal/mol, Difference in average score from the
base case: -0.0308 (00:48:17)
[INFO] Auto_mut: Effect of mutation residue number 355 from chain A (tyrosine) into glutamic
acid: Energy difference: 0.7541 kcal/mol, Difference in average score from
the base case: -0.0162 (00:48:17)
[INFO] Auto_mut: Effect of mutation residue number 355 from chain A (tyrosine) into lysine:
Energy difference: -0.0411 kcal/mol, Difference in average score from the
base case: -0.0124 (00:48:17)
[INFO] Auto_mut: Effect of mutation residue number 355 from chain A (tyrosine) into aspartic
acid: Energy difference: 1.7837 kcal/mol, Difference in average score from
the base case: -0.0110 (00:48:17)
[INFO] Auto_mut: Effect of mutation residue number 355 from chain A (tyrosine) into
arginine: Energy difference: 0.3071 kcal/mol, Difference in average score
from the base case: -0.0165 (00:48:17)
[INFO] Auto_mut: Effect of mutation residue number 369 from chain A (valine) into glutamic
acid: Energy difference: 0.0374 kcal/mol, Difference in average score from
the base case: -0.0290 (00:48:17)
[INFO] Auto_mut: Effect of mutation residue number 369 from chain A (valine) into lysine:
Energy difference: -0.7206 kcal/mol, Difference in average score from the
base case: -0.0206 (00:48:17)
[INFO] Auto_mut: Effect of mutation residue number 369 from chain A (valine) into aspartic
acid: Energy difference: 0.3729 kcal/mol, Difference in average score from
the base case: -0.0317 (00:48:17)
[INFO] Auto_mut: Effect of mutation residue number 369 from chain A (valine) into arginine:
Energy difference: -0.6700 kcal/mol, Difference in average score from the
base case: -0.0209 (00:48:17)
[INFO] Auto_mut: Effect of mutation residue number 377 from chain A (methionine) into
glutamic acid: Energy difference: 0.6472 kcal/mol, Difference in average
score from the base case: -0.0249 (00:48:17)
[INFO] Auto_mut: Effect of mutation residue number 377 from chain A (methionine) into
lysine: Energy difference: 0.3598 kcal/mol, Difference in average score
from the base case: -0.0226 (00:48:17)
[INFO] Auto_mut: Effect of mutation residue number 377 from chain A (methionine) into
aspartic acid: Energy difference: 1.1902 kcal/mol, Difference in average
score from the base case: -0.0220 (00:48:17)
[INFO] Auto_mut: Effect of mutation residue number 377 from chain A (methionine) into
arginine: Energy difference: 0.3082 kcal/mol, Difference in average score
from the base case: -0.0293 (00:48:17)
[INFO] Auto_mut: Effect of mutation residue number 359 from chain A (tyrosine) into glutamic
acid: Energy difference: 1.2687 kcal/mol, Difference in average score from
the base case: -0.0161 (00:48:17)
[INFO] Auto_mut: Effect of mutation residue number 359 from chain A (tyrosine) into lysine:
Energy difference: 0.4783 kcal/mol, Difference in average score from the
base case: -0.0144 (00:48:17)
[INFO] Auto_mut: Effect of mutation residue number 359 from chain A (tyrosine) into aspartic
acid: Energy difference: 1.4065 kcal/mol, Difference in average score from
the base case: -0.0072 (00:48:17)
[INFO] Auto_mut: Effect of mutation residue number 359 from chain A (tyrosine) into
arginine: Energy difference: 0.5784 kcal/mol, Difference in average score
from the base case: -0.0160 (00:48:17)
[INFO] Auto_mut: Effect of mutation residue number 80 from chain A (leucine) into glutamic
acid: Energy difference: 0.1387 kcal/mol, Difference in average score from
the base case: -0.0250 (00:48:17)
[INFO] Auto_mut: Effect of mutation residue number 80 from chain A (leucine) into lysine:
Energy difference: -0.0473 kcal/mol, Difference in average score from the
base case: -0.0199 (00:48:17)
[INFO] Auto_mut: Effect of mutation residue number 80 from chain A (leucine) into aspartic
acid: Energy difference: 0.0344 kcal/mol, Difference in average score from
the base case: -0.0293 (00:48:17)
[INFO] Auto_mut: Effect of mutation residue number 80 from chain A (leucine) into arginine:
Energy difference: -0.1789 kcal/mol, Difference in average score from the
base case: -0.0310 (00:48:17)
[INFO] Auto_mut: Effect of mutation residue number 352 from chain A (isoleucine) into
glutamic acid: Energy difference: 0.1740 kcal/mol, Difference in average
score from the base case: -0.0341 (00:48:17)
[INFO] Auto_mut: Effect of mutation residue number 352 from chain A (isoleucine) into
lysine: Energy difference: 0.1294 kcal/mol, Difference in average score
from the base case: -0.0328 (00:48:17)
[INFO] Auto_mut: Effect of mutation residue number 352 from chain A (isoleucine) into
aspartic acid: Energy difference: 0.7345 kcal/mol, Difference in average
score from the base case: -0.0352 (00:48:17)
[INFO] Auto_mut: Effect of mutation residue number 352 from chain A (isoleucine) into
arginine: Energy difference: -0.0278 kcal/mol, Difference in average score
from the base case: -0.0319 (00:48:17)
[INFO] Auto_mut: Effect of mutation residue number 362 from chain A (methionine) into
glutamic acid: Energy difference: 0.1561 kcal/mol, Difference in average
score from the base case: -0.0112 (00:48:17)
[INFO] Auto_mut: Effect of mutation residue number 362 from chain A (methionine) into
lysine: Energy difference: 0.7780 kcal/mol, Difference in average score
from the base case: -0.0118 (00:48:17)
[INFO] Auto_mut: Effect of mutation residue number 362 from chain A (methionine) into
aspartic acid: Energy difference: -0.5075 kcal/mol, Difference in average
score from the base case: -0.0100 (00:48:17)
[INFO] Auto_mut: Effect of mutation residue number 362 from chain A (methionine) into
arginine: Energy difference: 0.9542 kcal/mol, Difference in average score
from the base case: -0.0169 (00:48:17)
[INFO] Auto_mut: Effect of mutation residue number 356 from chain A (tyrosine) into glutamic
acid: Energy difference: 0.8885 kcal/mol, Difference in average score from
the base case: -0.0176 (00:48:17)
[INFO] Auto_mut: Effect of mutation residue number 356 from chain A (tyrosine) into lysine:
Energy difference: -0.1684 kcal/mol, Difference in average score from the
base case: -0.0200 (00:48:17)
[INFO] Auto_mut: Effect of mutation residue number 356 from chain A (tyrosine) into aspartic
acid: Energy difference: 1.7632 kcal/mol, Difference in average score from
the base case: -0.0153 (00:48:17)
[INFO] Auto_mut: Effect of mutation residue number 356 from chain A (tyrosine) into
arginine: Energy difference: 0.2608 kcal/mol, Difference in average score
from the base case: -0.0281 (00:48:17)
[INFO] Main: Simulation completed successfully. (00:48:28)
|
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 | -1.4924 | |
| 2 | F | A | -1.3757 | |
| 3 | N | A | -1.9449 | |
| 4 | V | A | -1.0279 | |
| 5 | Y | A | 0.0000 | |
| 6 | K | A | -2.3623 | |
| 7 | A | A | -1.3933 | |
| 8 | T | A | -0.8402 | |
| 9 | R | A | -0.6791 | |
| 10 | P | A | 0.0000 | |
| 11 | Y | A | 0.0000 | |
| 12 | L | A | 0.6536 | |
| 13 | A | A | 0.0000 | |
| 14 | H | A | -0.8322 | |
| 15 | C | A | 0.0000 | |
| 16 | P | A | -1.2397 | |
| 17 | D | A | -1.9165 | |
| 18 | C | A | -1.5664 | |
| 19 | G | A | -1.8644 | |
| 20 | E | A | -2.6715 | |
| 21 | G | A | -2.1570 | |
| 22 | H | A | -2.0817 | |
| 23 | S | A | -1.5830 | |
| 24 | C | A | -0.9747 | |
| 25 | H | A | -1.0133 | |
| 26 | S | A | 0.0000 | |
| 27 | P | A | -0.2656 | |
| 28 | I | A | 0.0000 | |
| 29 | A | A | 0.0000 | |
| 30 | L | A | -0.6595 | |
| 31 | E | A | -1.3972 | |
| 32 | R | A | -2.5102 | |
| 33 | I | A | 0.0000 | |
| 34 | R | A | -3.5498 | |
| 35 | N | A | -3.3620 | |
| 36 | E | A | -3.0643 | |
| 37 | A | A | -1.9581 | |
| 38 | T | A | -1.3392 | |
| 39 | D | A | -2.1423 | |
| 40 | G | A | -2.2830 | |
| 41 | T | A | -2.0190 | |
| 42 | L | A | 0.0000 | |
| 43 | K | A | -1.8237 | |
| 44 | N | A | -1.2829 | |
| 45 | Q | A | -0.9946 | |
| 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 | -1.7315 | |
| 54 | T | A | -1.7894 | |
| 55 | D | A | -2.6200 | |
| 56 | D | A | -2.6523 | |
| 57 | S | A | -1.9381 | |
| 58 | H | A | -1.7962 | |
| 59 | D | A | -1.0971 | |
| 60 | W | A | -0.2556 | |
| 61 | T | A | -0.9474 | |
| 62 | K | A | -1.7199 | |
| 63 | L | A | 0.0000 | |
| 64 | R | A | 0.0000 | |
| 65 | Y | A | 0.0000 | |
| 66 | M | A | -0.8278 | |
| 67 | D | A | -1.9322 | |
| 68 | S | A | -1.2938 | |
| 69 | H | A | -1.5281 | |
| 70 | T | A | -1.1222 | |
| 71 | P | A | -1.0116 | |
| 72 | A | A | -0.8017 | |
| 73 | D | A | -1.4260 | |
| 74 | A | A | 0.0000 | |
| 75 | E | A | -2.4802 | |
| 76 | R | A | -1.5640 | |
| 77 | A | A | -0.7279 | |
| 78 | G | A | -0.3886 | |
| 79 | L | A | 0.4013 | |
| 80 | L | A | 1.1626 | |
| 81 | V | A | 0.0650 | |
| 82 | R | A | -1.0411 | |
| 83 | T | A | 0.0000 | |
| 84 | S | A | -1.2062 | |
| 85 | A | A | -0.6719 | |
| 86 | P | A | -0.7135 | |
| 87 | C | A | -0.8498 | |
| 88 | T | A | -0.9365 | |
| 89 | N | A | -0.9064 | |
| 90 | T | A | -0.9156 | |
| 91 | G | A | -0.4890 | |
| 92 | T | A | -0.1477 | |
| 93 | M | A | 0.0000 | |
| 94 | G | A | 0.0000 | |
| 95 | H | A | 0.0000 | |
| 96 | F | A | 0.0000 | |
| 97 | I | A | -0.0902 | |
| 98 | L | A | 0.0000 | |
| 99 | A | A | 0.0000 | |
| 100 | R | A | -2.3606 | |
| 101 | C | A | -1.6106 | |
| 102 | P | A | -1.7600 | |
| 103 | K | A | -2.8795 | |
| 104 | G | A | -2.5550 | |
| 105 | E | A | -2.8781 | |
| 106 | T | A | -1.6573 | |
| 107 | L | A | 0.0000 | |
| 108 | T | A | -0.3072 | |
| 109 | V | A | 0.0000 | |
| 110 | G | A | 0.1986 | |
| 111 | F | A | 0.0000 | |
| 112 | T | A | -0.8201 | |
| 113 | D | A | -1.6375 | |
| 114 | S | A | -1.8060 | |
| 115 | R | A | -2.3723 | |
| 116 | K | A | -1.9502 | |
| 117 | I | A | 0.1139 | |
| 118 | S | A | -0.2344 | |
| 119 | H | A | -0.0888 | |
| 120 | T | A | -0.2292 | |
| 121 | C | A | 0.0000 | |
| 122 | T | A | -0.6390 | |
| 123 | H | A | -0.7661 | |
| 124 | P | A | -0.9694 | |
| 125 | F | A | -1.0766 | |
| 126 | H | A | -2.3572 | |
| 127 | H | A | -2.6765 | |
| 128 | E | A | -2.7381 | |
| 129 | P | A | -1.5208 | |
| 130 | P | A | -0.2844 | |
| 131 | V | A | 0.9583 | |
| 132 | I | A | 0.3074 | |
| 133 | G | A | -0.5102 | |
| 134 | R | A | -0.7487 | |
| 135 | E | A | 0.0000 | |
| 136 | R | A | -1.3480 | |
| 137 | F | A | -1.0259 | |
| 138 | H | A | -1.5118 | |
| 139 | S | A | -1.7106 | |
| 140 | R | A | -2.8719 | |
| 141 | P | A | -2.6571 | |
| 142 | Q | A | -2.5671 | |
| 143 | H | A | -2.7674 | |
| 144 | G | A | -3.2300 | |
| 145 | K | A | -3.1731 | |
| 146 | E | A | -2.6615 | |
| 147 | L | A | -1.0993 | |
| 148 | P | A | -0.6674 | |
| 149 | C | A | -0.7645 | |
| 150 | S | A | -0.6687 | |
| 151 | T | A | -0.5969 | |
| 152 | S | A | -0.1974 | |
| 153 | V | A | 0.1840 | |
| 154 | Q | A | -0.8354 | |
| 155 | S | A | -0.5095 | |
| 156 | T | A | -0.4385 | |
| 157 | A | A | -0.3531 | |
| 158 | A | A | -0.5821 | |
| 159 | T | A | -0.8412 | |
| 160 | A | A | -1.2649 | |
| 161 | E | A | -2.5956 | |
| 162 | E | A | -3.2022 | |
| 163 | I | A | -2.1220 | |
| 164 | E | A | -2.9086 | |
| 165 | V | A | 0.0000 | |
| 166 | H | A | -2.6584 | |
| 167 | M | A | -1.7762 | |
| 168 | P | A | 0.0000 | |
| 169 | P | A | -1.6724 | |
| 170 | D | A | -2.1341 | |
| 171 | T | A | -1.2518 | |
| 172 | P | A | -1.4386 | |
| 173 | D | A | -1.5961 | |
| 174 | R | A | -2.1338 | |
| 175 | T | A | -1.0135 | |
| 176 | L | A | -0.8712 | |
| 177 | M | A | -0.9526 | |
| 178 | T | A | -1.1824 | |
| 179 | Q | A | -2.1621 | |
| 180 | Q | A | -2.2079 | |
| 181 | S | A | -1.7825 | |
| 182 | G | A | -2.1082 | |
| 183 | N | A | -2.0033 | |
| 184 | V | A | 0.0000 | |
| 185 | K | A | -0.9790 | |
| 186 | N | A | -0.9014 | |
| 187 | T | A | -1.0972 | |
| 188 | V | A | -1.5468 | |
| 189 | N | A | -1.9416 | |
| 190 | G | A | -1.5053 | |
| 191 | Q | A | -1.8598 | |
| 192 | T | A | -1.0550 | |
| 193 | V | A | 0.0000 | |
| 194 | R | A | -1.5823 | |
| 195 | Y | A | -1.5591 | |
| 196 | K | A | -2.6315 | |
| 197 | C | A | 0.0000 | |
| 198 | N | A | -2.7070 | |
| 199 | C | A | -2.1920 | |
| 200 | G | A | -1.5475 | |
| 201 | G | A | -1.3383 | |
| 202 | S | A | -2.0838 | |
| 203 | N | A | -2.6704 | |
| 204 | E | A | -2.8387 | |
| 205 | G | A | -1.0488 | |
| 206 | L | A | 0.4993 | |
| 207 | T | A | -0.3640 | |
| 208 | T | A | -0.8379 | |
| 209 | T | A | -1.3611 | |
| 210 | D | A | -2.1753 | |
| 211 | K | A | -1.0561 | |
| 212 | V | A | 0.3439 | |
| 213 | I | A | -0.6091 | |
| 214 | N | A | -1.8802 | |
| 215 | N | A | -2.2969 | |
| 216 | C | A | 0.0000 | |
| 217 | K | A | -2.8656 | |
| 218 | I | A | -1.9843 | |
| 219 | D | A | -2.6624 | |
| 220 | Q | A | -2.4144 | |
| 221 | C | A | -2.1762 | |
| 222 | H | A | -2.2192 | |
| 223 | A | A | 0.0000 | |
| 224 | A | A | 0.0000 | |
| 225 | V | A | 0.0000 | |
| 226 | T | A | -1.3635 | |
| 227 | N | A | -2.3118 | |
| 228 | H | A | -1.9822 | |
| 229 | K | A | -2.2537 | |
| 230 | N | A | -1.7721 | |
| 231 | W | A | -1.1985 | |
| 232 | Q | A | 0.0000 | |
| 233 | Y | A | -0.4798 | |
| 234 | N | A | -1.3502 | |
| 235 | S | A | 0.0000 | |
| 236 | P | A | -0.2372 | |
| 237 | L | A | 0.3765 | |
| 238 | V | A | -0.1280 | |
| 239 | P | A | -1.3917 | |
| 240 | R | A | -2.9041 | |
| 241 | N | A | -2.8945 | |
| 242 | A | A | -1.9275 | |
| 243 | E | A | -1.9911 | |
| 244 | L | A | -0.6307 | |
| 245 | G | A | -2.3127 | |
| 246 | D | A | -3.2164 | |
| 247 | R | A | -3.8548 | |
| 248 | K | A | -3.2579 | |
| 249 | G | A | -2.4492 | |
| 250 | K | A | -3.0549 | |
| 251 | I | A | 0.0000 | |
| 252 | H | A | -1.6558 | |
| 253 | I | A | -0.8019 | |
| 254 | P | A | 0.0000 | |
| 255 | F | A | 0.0000 | |
| 256 | P | A | 0.2014 | |
| 257 | L | A | 0.7202 | |
| 258 | A | A | 0.2550 | |
| 259 | N | A | -0.6431 | |
| 260 | V | A | 0.0382 | |
| 261 | T | A | -0.7686 | |
| 262 | C | A | -1.7440 | |
| 263 | R | A | -3.3825 | |
| 264 | V | A | 0.0000 | |
| 265 | P | A | -2.8177 | |
| 266 | K | A | -2.7651 | |
| 267 | A | A | -2.2941 | |
| 268 | R | A | -2.9431 | |
| 269 | N | A | -2.1506 | |
| 270 | P | A | -0.7757 | |
| 271 | T | A | -0.2927 | |
| 272 | V | A | 0.7862 | |
| 273 | T | A | 0.5832 | |
| 274 | Y | A | 0.4810 | |
| 275 | G | A | -1.0859 | |
| 276 | K | A | -2.1451 | |
| 277 | N | A | -1.6854 | |
| 278 | Q | A | -1.5675 | |
| 279 | V | A | 0.0000 | |
| 280 | K | A | -0.9526 | |
| 281 | M | A | 0.0000 | |
| 282 | L | A | -0.8191 | |
| 283 | L | A | 0.0000 | |
| 284 | Y | A | -1.4634 | |
| 285 | P | A | -1.8310 | |
| 286 | D | A | -2.5131 | |
| 287 | H | A | -1.5988 | |
| 288 | P | A | -0.9841 | |
| 289 | T | A | 0.0000 | |
| 290 | L | A | -0.8780 | |
| 291 | L | A | 0.0000 | |
| 292 | S | A | 0.0000 | |
| 293 | Y | A | -1.4845 | |
| 294 | R | A | -2.4745 | |
| 295 | N | A | -2.4173 | |
| 296 | M | A | -2.1532 | |
| 297 | G | A | -2.2921 | |
| 298 | Q | A | -2.7203 | |
| 299 | E | A | -3.0873 | |
| 300 | P | A | -2.4455 | |
| 301 | N | A | -2.1571 | |
| 302 | Y | A | -1.1028 | |
| 303 | H | A | -2.3017 | |
| 304 | E | A | -2.9161 | |
| 305 | E | A | -2.6009 | |
| 306 | W | A | -0.8877 | |
| 307 | V | A | 0.0000 | |
| 308 | T | A | -1.3268 | |
| 309 | H | A | -2.1622 | |
| 310 | K | A | -2.7660 | |
| 311 | K | A | -2.1802 | |
| 312 | E | A | -2.2932 | |
| 313 | V | A | -1.0500 | |
| 314 | T | A | -0.9716 | |
| 315 | K | A | -0.8279 | |
| 316 | T | A | -1.0806 | |
| 317 | V | A | 0.0000 | |
| 318 | P | A | -0.7521 | |
| 319 | T | A | -1.0327 | |
| 320 | E | A | -1.8838 | |
| 321 | G | A | 0.0000 | |
| 322 | L | A | 0.0000 | |
| 323 | E | A | -1.0945 | |
| 324 | V | A | 0.0000 | |
| 325 | T | A | -0.8857 | |
| 326 | W | A | 0.0000 | |
| 327 | G | A | 0.0000 | |
| 328 | N | A | -1.5660 | |
| 329 | N | A | -2.0807 | |
| 330 | E | A | -1.9826 | |
| 331 | P | A | -1.3816 | |
| 332 | Y | A | -1.0377 | |
| 333 | K | A | -1.2234 | |
| 334 | Y | A | -0.3429 | |
| 335 | W | A | 0.1128 | |
| 336 | P | A | -0.6256 | |
| 337 | Q | A | -0.8120 | |
| 338 | M | A | 0.0394 | |
| 339 | S | A | -0.7143 | |
| 340 | T | A | -0.9597 | |
| 341 | N | A | -1.8045 | |
| 342 | G | A | -1.0732 | |
| 343 | T | A | -0.8085 | |
| 344 | A | A | -0.3818 | |
| 345 | H | A | -1.4495 | |
| 346 | G | A | -1.6906 | |
| 347 | H | A | -1.7235 | |
| 348 | P | A | -1.1990 | |
| 349 | H | A | -1.2424 | |
| 350 | E | A | -1.2913 | |
| 351 | I | A | 0.1768 | |
| 352 | I | A | 1.0558 | |
| 353 | Q | A | -0.2969 | |
| 354 | Y | A | 0.2168 | |
| 355 | Y | A | 1.6309 | |
| 356 | Y | A | 1.0415 | |
| 357 | E | A | -0.6412 | |
| 358 | L | A | 0.7305 | |
| 359 | Y | A | 1.3277 | |
| 360 | P | A | 0.5117 | |
| 361 | T | A | 0.4561 | |
| 362 | M | A | 1.0423 | |
| 363 | T | A | 0.0000 | |
| 364 | Q | A | -0.2310 | |
| 365 | V | A | 0.8701 | |
| 366 | N | A | -0.6187 | |
| 367 | Q | A | -0.8527 | |
| 368 | S | A | 0.0239 | |
| 369 | V | A | 1.5715 | |
| 370 | A | A | 0.7652 | |
| 371 | S | A | 0.1406 | |
| 372 | S | A | 0.6166 | |
| 373 | V | A | 1.9733 | |
| 374 | L | A | 1.8669 | |
| 375 | E | A | -0.3294 | |
| 376 | S | A | 0.4605 | |
| 377 | M | A | 1.3526 | |
| 378 | V | A | 0.9015 | |
| 379 | G | A | -0.3174 | |
| 380 | T | A | -0.1366 | |
| 381 | A | A | 0.0524 | |
| 382 | K | A | -0.9150 | |
| 383 | G | A | -0.0488 | |
| 384 | M | A | 0.7619 | |
| 385 | C | A | 0.1627 | |
| 386 | V | A | -0.0488 | |
| 387 | C | A | -0.2350 | |
| 388 | A | A | -0.7667 | |
| 389 | R | A | -1.7441 | |
| 390 | R | A | -2.8027 | |
| 391 | R | A | -2.7236 | |
| 392 | C | A | -1.2026 | |
| 393 | I | A | -0.7948 | |
| 394 | T | A | -1.2226 | |
| 395 | P | A | -0.3256 | |
| 396 | Y | A | 0.3514 | |
| 397 | E | A | -0.7560 | |
| 398 | L | A | 0.7117 | |
| 399 | T | A | 0.0969 | |
| 400 | P | A | -0.3107 | |
| 401 | G | A | -0.5355 | |
| 402 | A | A | -0.1191 | |
| 403 | T | A | 0.1658 | |
| 404 | V | A | 0.5399 | |
| 405 | P | A | 0.5237 | |
| 406 | F | A | 0.6814 | |
| 407 | E | A | -1.4413 | |
| 408 | L | A | -0.4568 | |
| 409 | S | A | -0.4603 | |
| 410 | Q | A | -1.7574 | |
| 411 | K | A | -2.0861 | |
| 412 | C | A | -0.5838 | |
| 413 | C | A | -1.0682 | |
| 414 | A | A | -1.1041 |
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 |
|||
| VR373A | -0.7972 | -0.0267 | View | CSV | PDB |
| VK373A | -0.7846 | -0.0269 | View | CSV | PDB |
| VK369A | -0.7206 | -0.0206 | View | CSV | PDB |
| VR369A | -0.67 | -0.0209 | View | CSV | PDB |
| LR80A | -0.1789 | -0.031 | View | CSV | PDB |
| LR374A | -0.0512 | -0.0308 | View | CSV | PDB |
| IR352A | -0.0278 | -0.0319 | View | CSV | PDB |
| YK356A | -0.1684 | -0.02 | View | CSV | PDB |
| LK80A | -0.0473 | -0.0199 | View | CSV | PDB |
| MD362A | -0.5075 | -0.01 | View | CSV | PDB |
| YK355A | -0.0411 | -0.0124 | View | CSV | PDB |
| IK352A | 0.1294 | -0.0328 | View | CSV | PDB |
| YR356A | 0.2608 | -0.0281 | View | CSV | PDB |
| LK374A | 0.2996 | -0.03 | View | CSV | PDB |
| MR377A | 0.3082 | -0.0293 | View | CSV | PDB |
| ME362A | 0.1561 | -0.0112 | View | CSV | PDB |
| MK377A | 0.3598 | -0.0226 | View | CSV | PDB |
| YR355A | 0.3071 | -0.0165 | View | CSV | PDB |
| YK359A | 0.4783 | -0.0144 | View | CSV | PDB |
| YR359A | 0.5784 | -0.016 | 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