| Chain sequence(s) |
A: MTTKPFFDAARVIAGGKLTQAQVDDLNKVVEKLAPGGKTTSDDGIDLITSFEGTRFNAYDDGVGVWTIGTGTTVYPNGVKVKKGDTCTPEQAKAYFKHDLAKFEKTVNESVIVPLSQNQFDALVSLTYNIGSGAFKNSTLLKKLNKGDYQGAADQFLVWNKAGGKVMKGLVRRREAERALFLKKGGGGSGGGGSKFFKWFSQLFKKFKQLLKKTFG
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 (00:05:04)
[INFO] Auto_mut: Residue number 13 from chain A and a score of 2.226 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 12 from chain A and a score of 1.811 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 112 from chain A and a score of 1.666 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 215 from chain A and a score of 1.011 (phenylalanine)
selected for automated muatation (00:05:06)
[INFO] Auto_mut: Residue number 1 from chain A and a score of 0.989 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 63 from chain A and a score of 0.879 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 158 from chain A and a score of 0.879 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 113 from chain A and a score of 0.810 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 197 from chain A and a score of 0.801 (phenylalanine)
selected for automated muatation (00:05:06)
[INFO] Auto_mut: Residue number 9 from chain A and a score of 0.545 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 159 from chain A and a score of 0.544 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 14 from chain A and a score of 0.493 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 200 from chain A and a score of 0.417 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 10 from chain A and a score of 0.410 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 111 from chain A and a score of 0.223 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 79 from chain A and a score of 0.195 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 114 from chain A and a score of 0.194 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 15 from chain A and a score of 0.101 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 74 from chain A and a score of 0.098 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 115 from chain A and a score of 0.067 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 33 from chain A and a score of 0.031 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 196 from chain A and a score of 0.020 (phenylalanine)
selected for automated muatation (00:05:06)
[INFO] Auto_mut: Residue number 199 from chain A and a score of 0.017 (tryptophan) selected
for automated muatation (00:05:06)
[INFO] Auto_mut: Residue number 130 from chain A and a score of 0.007 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 18 from chain A and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 40 from chain A and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 44 from chain A and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 45 from chain A and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 48 from chain A and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 58 from chain A and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 67 from chain A and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 68 from chain A and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 69 from chain A and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 70 from chain A and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 72 from chain A and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 81 from chain A and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 87 from chain A and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 92 from chain A and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 96 from chain A and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 100 from chain A and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 104 from chain A and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 106 from chain A and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 107 from chain A and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 120 from chain A and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 121 from chain A and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 122 from chain A and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 123 from chain A and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 124 from chain A and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 125 from chain A and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 126 from chain A and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 127 from chain A and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 135 from chain A and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 138 from chain A and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 140 from chain A and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 141 from chain A and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 144 from chain A and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 152 from chain A and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 153 from chain A and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 156 from chain A and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 173 from chain A and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 174 from chain A and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 177 from chain A and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 181 from chain A and a score of 0.000 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 64 from chain A and a score of -0.023 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 2 from chain A and a score of -0.030 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 11 from chain A and a score of -0.097 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 73 from chain A and a score of -0.155 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 75 from chain A and a score of -0.189 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 7 from chain A and a score of -0.192 omitted from automated
muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Residue number 214 from chain A and a score of -0.194 (threonine) selected
for automated muatation (00:05:06)
[INFO] Auto_mut: Residue number 128 from chain A and a score of -0.197 omitted from
automated muatation (excluded by the user). (00:05:06)
[INFO] Auto_mut: Mutating residue number 215 from chain A (phenylalanine) into glutamic acid
Mutating residue number 215 from chain A (phenylalanine) into glutamic acid (00:05:06)
[INFO] Auto_mut: Mutating residue number 197 from chain A (phenylalanine) into glutamic acid
Mutating residue number 197 from chain A (phenylalanine) into glutamic acid (00:05:06)
[INFO] Auto_mut: Mutating residue number 215 from chain A (phenylalanine) into aspartic acid
Mutating residue number 215 from chain A (phenylalanine) into aspartic acid (00:05:06)
[INFO] Auto_mut: Mutating residue number 215 from chain A (phenylalanine) into lysine (00:07:02)
[INFO] Auto_mut: Mutating residue number 215 from chain A (phenylalanine) into arginine (00:07:03)
[INFO] Auto_mut: Mutating residue number 197 from chain A (phenylalanine) into lysine (00:07:07)
[INFO] Auto_mut: Mutating residue number 197 from chain A (phenylalanine) into aspartic acid
Mutating residue number 197 from chain A (phenylalanine) into aspartic acid (00:08:55)
[INFO] Auto_mut: Mutating residue number 196 from chain A (phenylalanine) into glutamic acid
Mutating residue number 196 from chain A (phenylalanine) into glutamic acid (00:09:02)
[INFO] Auto_mut: Mutating residue number 196 from chain A (phenylalanine) into aspartic acid
Mutating residue number 196 from chain A (phenylalanine) into aspartic acid (00:09:12)
[INFO] Auto_mut: Mutating residue number 197 from chain A (phenylalanine) into arginine (00:10:47)
[INFO] Auto_mut: Mutating residue number 196 from chain A (phenylalanine) into lysine (00:10:51)
[INFO] Auto_mut: Mutating residue number 196 from chain A (phenylalanine) into arginine (00:11:09)
[INFO] Auto_mut: Mutating residue number 199 from chain A (tryptophan) into glutamic acid (00:12:47)
[INFO] Auto_mut: Mutating residue number 199 from chain A (tryptophan) into aspartic acid (00:13:32)
[INFO] Auto_mut: Mutating residue number 214 from chain A (threonine) into glutamic acid (00:13:50)
[INFO] Auto_mut: Mutating residue number 199 from chain A (tryptophan) into lysine (00:14:58)
[INFO] Auto_mut: Mutating residue number 199 from chain A (tryptophan) into arginine (00:15:28)
[INFO] Auto_mut: Mutating residue number 214 from chain A (threonine) into lysine (00:15:49)
[INFO] Auto_mut: Mutating residue number 214 from chain A (threonine) into aspartic acid (00:17:29)
[INFO] Auto_mut: Mutating residue number 214 from chain A (threonine) into arginine (00:19:19)
[INFO] Auto_mut: Effect of mutation residue number 215 from chain A (phenylalanine) into
glutamic acid: Energy difference: 0.7770 kcal/mol, Difference in average
score from the base case: -0.0301 (00:21:17)
[INFO] Auto_mut: Effect of mutation residue number 215 from chain A (phenylalanine) into
lysine: Energy difference: 0.1864 kcal/mol, Difference in average score
from the base case: -0.0320 (00:21:17)
[INFO] Auto_mut: Effect of mutation residue number 215 from chain A (phenylalanine) into
aspartic acid: Energy difference: 0.7584 kcal/mol, Difference in average
score from the base case: -0.0261 (00:21:17)
[INFO] Auto_mut: Effect of mutation residue number 215 from chain A (phenylalanine) into
arginine: Energy difference: 0.0626 kcal/mol, Difference in average score
from the base case: -0.0294 (00:21:17)
[INFO] Auto_mut: Effect of mutation residue number 197 from chain A (phenylalanine) into
glutamic acid: Energy difference: -0.1713 kcal/mol, Difference in average
score from the base case: -0.0537 (00:21:17)
[INFO] Auto_mut: Effect of mutation residue number 197 from chain A (phenylalanine) into
lysine: Energy difference: -0.2108 kcal/mol, Difference in average score
from the base case: -0.0544 (00:21:17)
[INFO] Auto_mut: Effect of mutation residue number 197 from chain A (phenylalanine) into
aspartic acid: Energy difference: -0.0133 kcal/mol, Difference in average
score from the base case: -0.0551 (00:21:17)
[INFO] Auto_mut: Effect of mutation residue number 197 from chain A (phenylalanine) into
arginine: Energy difference: -0.2556 kcal/mol, Difference in average score
from the base case: -0.0548 (00:21:17)
[INFO] Auto_mut: Effect of mutation residue number 196 from chain A (phenylalanine) into
glutamic acid: Energy difference: 0.8940 kcal/mol, Difference in average
score from the base case: -0.0035 (00:21:17)
[INFO] Auto_mut: Effect of mutation residue number 196 from chain A (phenylalanine) into
lysine: Energy difference: 0.3655 kcal/mol, Difference in average score
from the base case: -0.0121 (00:21:17)
[INFO] Auto_mut: Effect of mutation residue number 196 from chain A (phenylalanine) into
aspartic acid: Energy difference: 1.0624 kcal/mol, Difference in average
score from the base case: -0.0092 (00:21:17)
[INFO] Auto_mut: Effect of mutation residue number 196 from chain A (phenylalanine) into
arginine: Energy difference: 0.0868 kcal/mol, Difference in average score
from the base case: -0.0183 (00:21:17)
[INFO] Auto_mut: Effect of mutation residue number 199 from chain A (tryptophan) into
glutamic acid: Energy difference: 0.7355 kcal/mol, Difference in average
score from the base case: -0.0134 (00:21:17)
[INFO] Auto_mut: Effect of mutation residue number 199 from chain A (tryptophan) into
lysine: Energy difference: 0.7560 kcal/mol, Difference in average score
from the base case: -0.0178 (00:21:17)
[INFO] Auto_mut: Effect of mutation residue number 199 from chain A (tryptophan) into
aspartic acid: Energy difference: 0.9488 kcal/mol, Difference in average
score from the base case: -0.0152 (00:21:17)
[INFO] Auto_mut: Effect of mutation residue number 199 from chain A (tryptophan) into
arginine: Energy difference: 1.5123 kcal/mol, Difference in average score
from the base case: -0.0295 (00:21:17)
[INFO] Auto_mut: Effect of mutation residue number 214 from chain A (threonine) into
glutamic acid: Energy difference: -0.3403 kcal/mol, Difference in average
score from the base case: -0.0106 (00:21:17)
[INFO] Auto_mut: Effect of mutation residue number 214 from chain A (threonine) into lysine:
Energy difference: -0.5786 kcal/mol, Difference in average score from the
base case: -0.0121 (00:21:17)
[INFO] Auto_mut: Effect of mutation residue number 214 from chain A (threonine) into
aspartic acid: Energy difference: -0.1385 kcal/mol, Difference in average
score from the base case: -0.0051 (00:21:17)
[INFO] Auto_mut: Effect of mutation residue number 214 from chain A (threonine) into
arginine: Energy difference: -0.3908 kcal/mol, Difference in average score
from the base case: -0.0187 (00:21:17)
[INFO] Main: Simulation completed successfully. (00:21:23)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 1 | M | A | 0.9889 | |
| 2 | T | A | -0.0304 | |
| 3 | T | A | -0.5920 | |
| 4 | K | A | -1.6250 | |
| 5 | P | A | -0.9041 | |
| 6 | F | A | -0.3508 | |
| 7 | F | A | -0.1916 | |
| 8 | D | A | -0.5999 | |
| 9 | A | A | 0.5453 | |
| 10 | A | A | 0.4097 | |
| 11 | R | A | -0.0973 | |
| 12 | V | A | 1.8113 | |
| 13 | I | A | 2.2260 | |
| 14 | A | A | 0.4927 | |
| 15 | G | A | 0.1009 | |
| 16 | G | A | -0.7768 | |
| 17 | K | A | -1.9207 | |
| 18 | L | A | 0.0000 | |
| 19 | T | A | -1.4231 | |
| 20 | Q | A | -1.9735 | |
| 21 | A | A | -1.6149 | |
| 22 | Q | A | -2.2407 | |
| 23 | V | A | -1.8591 | |
| 24 | D | A | -2.5698 | |
| 25 | D | A | -3.0435 | |
| 26 | L | A | -1.8302 | |
| 27 | N | A | -2.3344 | |
| 28 | K | A | -2.8216 | |
| 29 | V | A | -1.1398 | |
| 30 | V | A | -1.1046 | |
| 31 | E | A | -2.6816 | |
| 32 | K | A | -2.0286 | |
| 33 | L | A | 0.0312 | |
| 34 | A | A | -0.5374 | |
| 35 | P | A | -1.0513 | |
| 36 | G | A | -1.3966 | |
| 37 | G | A | -1.8680 | |
| 38 | K | A | -1.5476 | |
| 39 | T | A | -1.1869 | |
| 40 | T | A | 0.0000 | |
| 41 | S | A | -1.9819 | |
| 42 | D | A | -3.3377 | |
| 43 | D | A | -3.2705 | |
| 44 | G | A | 0.0000 | |
| 45 | I | A | 0.0000 | |
| 46 | D | A | -3.0563 | |
| 47 | L | A | -1.4178 | |
| 48 | I | A | 0.0000 | |
| 49 | T | A | -1.3239 | |
| 50 | S | A | -0.7486 | |
| 51 | F | A | -0.6526 | |
| 52 | E | A | -1.2889 | |
| 53 | G | A | -1.1265 | |
| 54 | T | A | -1.4241 | |
| 55 | R | A | -1.9360 | |
| 56 | F | A | -0.5942 | |
| 57 | N | A | -1.8427 | |
| 58 | A | A | 0.0000 | |
| 59 | Y | A | -1.9431 | |
| 60 | D | A | -1.9812 | |
| 61 | D | A | -1.6212 | |
| 62 | G | A | -0.6659 | |
| 63 | V | A | 0.8789 | |
| 64 | G | A | -0.0234 | |
| 65 | V | A | -0.2661 | |
| 66 | W | A | -1.4390 | |
| 67 | T | A | 0.0000 | |
| 68 | I | A | 0.0000 | |
| 69 | G | A | 0.0000 | |
| 70 | T | A | 0.0000 | |
| 71 | G | A | -0.9077 | |
| 72 | T | A | 0.0000 | |
| 73 | T | A | -0.1549 | |
| 74 | V | A | 0.0982 | |
| 75 | Y | A | -0.1886 | |
| 76 | P | A | -0.8287 | |
| 77 | N | A | -1.0775 | |
| 78 | G | A | -0.4047 | |
| 79 | V | A | 0.1953 | |
| 80 | K | A | -1.1208 | |
| 81 | V | A | 0.0000 | |
| 82 | K | A | -2.9066 | |
| 83 | K | A | -3.0178 | |
| 84 | G | A | -2.0684 | |
| 85 | D | A | -1.6147 | |
| 86 | T | A | -1.1877 | |
| 87 | C | A | 0.0000 | |
| 88 | T | A | -1.2936 | |
| 89 | P | A | -1.7441 | |
| 90 | E | A | -2.7536 | |
| 91 | Q | A | -1.9485 | |
| 92 | A | A | 0.0000 | |
| 93 | K | A | -3.0189 | |
| 94 | A | A | -1.7998 | |
| 95 | Y | A | -1.3596 | |
| 96 | F | A | 0.0000 | |
| 97 | K | A | -1.6169 | |
| 98 | H | A | -1.7717 | |
| 99 | D | A | -1.3341 | |
| 100 | L | A | 0.0000 | |
| 101 | A | A | -1.7080 | |
| 102 | K | A | -2.4341 | |
| 103 | F | A | -1.4976 | |
| 104 | E | A | 0.0000 | |
| 105 | K | A | -3.1010 | |
| 106 | T | A | 0.0000 | |
| 107 | V | A | 0.0000 | |
| 108 | N | A | -1.9411 | |
| 109 | E | A | -2.1744 | |
| 110 | S | A | -1.2549 | |
| 111 | V | A | 0.2229 | |
| 112 | I | A | 1.6657 | |
| 113 | V | A | 0.8100 | |
| 114 | P | A | 0.1936 | |
| 115 | L | A | 0.0672 | |
| 116 | S | A | -1.1543 | |
| 117 | Q | A | -1.4665 | |
| 118 | N | A | -1.3316 | |
| 119 | Q | A | -0.7287 | |
| 120 | F | A | 0.0000 | |
| 121 | D | A | 0.0000 | |
| 122 | A | A | 0.0000 | |
| 123 | L | A | 0.0000 | |
| 124 | V | A | 0.0000 | |
| 125 | S | A | 0.0000 | |
| 126 | L | A | 0.0000 | |
| 127 | T | A | 0.0000 | |
| 128 | Y | A | -0.1968 | |
| 129 | N | A | -0.2984 | |
| 130 | I | A | 0.0072 | |
| 131 | G | A | -0.3813 | |
| 132 | S | A | -1.2545 | |
| 133 | G | A | -1.2826 | |
| 134 | A | A | -1.0774 | |
| 135 | F | A | 0.0000 | |
| 136 | K | A | -2.6549 | |
| 137 | N | A | -2.3562 | |
| 138 | S | A | 0.0000 | |
| 139 | T | A | -1.2147 | |
| 140 | L | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | K | A | -2.8816 | |
| 143 | K | A | -2.5245 | |
| 144 | L | A | 0.0000 | |
| 145 | N | A | -1.3464 | |
| 146 | K | A | -2.4554 | |
| 147 | G | A | -1.6829 | |
| 148 | D | A | -2.0189 | |
| 149 | Y | A | -1.1042 | |
| 150 | Q | A | -1.5379 | |
| 151 | G | A | -1.6626 | |
| 152 | A | A | 0.0000 | |
| 153 | A | A | 0.0000 | |
| 154 | D | A | -1.3880 | |
| 155 | Q | A | -0.5530 | |
| 156 | F | A | 0.0000 | |
| 157 | L | A | -0.2963 | |
| 158 | V | A | 0.8787 | |
| 159 | W | A | 0.5436 | |
| 160 | N | A | -0.8100 | |
| 161 | K | A | -1.7875 | |
| 162 | A | A | -1.2419 | |
| 163 | G | A | -1.3488 | |
| 164 | G | A | -1.6745 | |
| 165 | K | A | -2.0816 | |
| 166 | V | A | -0.3923 | |
| 167 | M | A | -1.0370 | |
| 168 | K | A | -2.0905 | |
| 169 | G | A | -1.4980 | |
| 170 | L | A | -1.0088 | |
| 171 | V | A | -1.2552 | |
| 172 | R | A | -2.6448 | |
| 173 | R | A | 0.0000 | |
| 174 | R | A | 0.0000 | |
| 175 | E | A | -2.3041 | |
| 176 | A | A | -1.1526 | |
| 177 | E | A | 0.0000 | |
| 178 | R | A | -1.6854 | |
| 179 | A | A | -1.1459 | |
| 180 | L | A | -1.1597 | |
| 181 | F | A | 0.0000 | |
| 182 | L | A | -1.1191 | |
| 183 | K | A | -2.3320 | |
| 184 | K | A | -2.6843 | |
| 185 | G | A | -2.0444 | |
| 186 | G | A | -1.6670 | |
| 187 | G | A | -1.4372 | |
| 188 | G | A | -1.2333 | |
| 189 | S | A | -1.0678 | |
| 190 | G | A | -1.3052 | |
| 191 | G | A | -1.4781 | |
| 192 | G | A | -1.2451 | |
| 193 | G | A | -1.0165 | |
| 194 | S | A | -1.0483 | |
| 195 | K | A | -1.6867 | |
| 196 | F | A | 0.0204 | |
| 197 | F | A | 0.8009 | |
| 198 | K | A | -0.9837 | |
| 199 | W | A | 0.0170 | |
| 200 | F | A | 0.4166 | |
| 201 | S | A | -0.3316 | |
| 202 | Q | A | -1.1429 | |
| 203 | L | A | -0.2352 | |
| 204 | F | A | -0.3702 | |
| 205 | K | A | -2.3059 | |
| 206 | K | A | -2.2596 | |
| 207 | F | A | -0.7781 | |
| 208 | K | A | -2.3484 | |
| 209 | Q | A | -2.4807 | |
| 210 | L | A | -0.3869 | |
| 211 | L | A | -0.5285 | |
| 212 | K | A | -2.1684 | |
| 213 | K | A | -1.8296 | |
| 214 | T | A | -0.1937 | |
| 215 | F | A | 1.0113 | |
| 216 | G | A | -0.5467 |
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 |
|||
| FR197A | -0.2556 | -0.0548 | View | CSV | PDB |
| FK197A | -0.2108 | -0.0544 | View | CSV | PDB |
| TR214A | -0.3908 | -0.0187 | View | CSV | PDB |
| TK214A | -0.5786 | -0.0121 | View | CSV | PDB |
| FR215A | 0.0626 | -0.0294 | View | CSV | PDB |
| FR196A | 0.0868 | -0.0183 | View | CSV | PDB |
| FK215A | 0.1864 | -0.032 | View | CSV | PDB |
| FK196A | 0.3655 | -0.0121 | View | CSV | PDB |
| WK199A | 0.756 | -0.0178 | View | CSV | PDB |
| WR199A | 1.5123 | -0.0295 | 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