| Chain sequence(s) |
A: MSKLCLDFGHGGKDSGAVGHGMKEKDIVLDVGLRTHKILTNAGIDVLLTRSDDTFVGLSDRARKANSWGADLFVSLHNNSGGGYGFESFVYLKTDSKTDQFRATIHNEVAPLFRRDRGMKQANLAVLRETRMPACLLELGFIDHAEDAADLARDDFRDKLAVAIANGILKAFGTGPVSHQDAGRPVDAGIAENVINSFLVKGRYDAHAAGNAESRDWIRLCEDELRVSAGLHPAGPGRPLNPDIAQNVINSFLGPGWKDADEAGNTESRDWIHFCANELRKASGLPTED
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 5 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 (00:03:05)
[INFO] Auto_mut: Residue number 274 from chain A and a score of 1.810 (phenylalanine)
selected for automated muatation (00:03:07)
[INFO] Auto_mut: Residue number 18 from chain A and a score of 1.324 omitted from automated
muatation (excluded by the user). (00:03:07)
[INFO] Auto_mut: Residue number 58 from chain A and a score of 1.317 omitted from automated
muatation (excluded by the user). (00:03:07)
[INFO] Auto_mut: Residue number 1 from chain A and a score of 1.044 omitted from automated
muatation (excluded by the user). (00:03:07)
[INFO] Auto_mut: Residue number 204 from chain A and a score of 0.946 (tyrosine) selected
for automated muatation (00:03:07)
[INFO] Auto_mut: Residue number 220 from chain A and a score of 0.927 omitted from automated
muatation (excluded by the user). (00:03:07)
[INFO] Auto_mut: Residue number 55 from chain A and a score of 0.926 omitted from automated
muatation (excluded by the user). (00:03:07)
[INFO] Auto_mut: Residue number 92 from chain A and a score of 0.907 (leucine) selected for
automated muatation (00:03:07)
[INFO] Auto_mut: Residue number 84 from chain A and a score of 0.427 omitted from automated
muatation (excluded by the user). (00:03:07)
[INFO] Auto_mut: Residue number 47 from chain A and a score of 0.411 omitted from automated
muatation (excluded by the user). (00:03:07)
[INFO] Auto_mut: Residue number 227 from chain A and a score of 0.410 omitted from automated
muatation (excluded by the user). (00:03:07)
[INFO] Auto_mut: Residue number 91 from chain A and a score of 0.367 (tyrosine) selected for
automated muatation (00:03:07)
[INFO] Auto_mut: Residue number 119 from chain A and a score of 0.355 (methionine) selected
for automated muatation (00:03:07)
[INFO] Auto_mut: Residue number 231 from chain A and a score of 0.310 (leucine) selected for
automated muatation (00:03:07)
[INFO] Auto_mut: Residue number 48 from chain A and a score of 0.292 omitted from automated
muatation (excluded by the user). (00:03:07)
[INFO] Auto_mut: Residue number 68 from chain A and a score of 0.285 omitted from automated
muatation (excluded by the user). (00:03:07)
[INFO] Auto_mut: Residue number 33 from chain A and a score of 0.271 omitted from automated
muatation (excluded by the user). (00:03:07)
[INFO] Auto_mut: Residue number 17 from chain A and a score of 0.250 omitted from automated
muatation (excluded by the user). (00:03:07)
[INFO] Auto_mut: Residue number 112 from chain A and a score of 0.235 (leucine) selected for
automated muatation (00:03:07)
[INFO] Auto_mut: Residue number 271 from chain A and a score of 0.221 (tryptophan) selected
for automated muatation (00:03:07)
[INFO] Auto_mut: Residue number 124 from chain A and a score of 0.209 (leucine) selected for
automated muatation (00:03:07)
[INFO] Auto_mut: Residue number 162 from chain A and a score of 0.208 (valine) selected for
automated muatation (00:03:07)
[INFO] Auto_mut: Mutating residue number 204 from chain A (tyrosine) into glutamic acid (00:03:07)
[INFO] Auto_mut: Mutating residue number 92 from chain A (leucine) into glutamic acid (00:03:07)
[INFO] Auto_mut: Mutating residue number 274 from chain A (phenylalanine) into glutamic acid
Mutating residue number 274 from chain A (phenylalanine) into glutamic acid (00:03:07)
[INFO] Auto_mut: Mutating residue number 92 from chain A (leucine) into lysine (00:04:19)
[INFO] Auto_mut: Mutating residue number 274 from chain A (phenylalanine) into lysine (00:04:20)
[INFO] Auto_mut: Mutating residue number 204 from chain A (tyrosine) into lysine (00:04:21)
[INFO] Auto_mut: Mutating residue number 274 from chain A (phenylalanine) into aspartic acid
Mutating residue number 274 from chain A (phenylalanine) into aspartic acid (00:05:41)
[INFO] Auto_mut: Mutating residue number 92 from chain A (leucine) into aspartic acid (00:05:43)
[INFO] Auto_mut: Mutating residue number 204 from chain A (tyrosine) into aspartic acid (00:05:56)
[INFO] Auto_mut: Mutating residue number 274 from chain A (phenylalanine) into arginine (00:06:57)
[INFO] Auto_mut: Mutating residue number 92 from chain A (leucine) into arginine (00:07:04)
[INFO] Auto_mut: Mutating residue number 204 from chain A (tyrosine) into arginine (00:07:11)
[INFO] Auto_mut: Mutating residue number 91 from chain A (tyrosine) into glutamic acid (00:08:18)
[INFO] Auto_mut: Mutating residue number 119 from chain A (methionine) into glutamic acid (00:08:22)
[INFO] Auto_mut: Mutating residue number 231 from chain A (leucine) into glutamic acid (00:08:41)
[INFO] Auto_mut: Mutating residue number 91 from chain A (tyrosine) into lysine (00:09:34)
[INFO] Auto_mut: Mutating residue number 119 from chain A (methionine) into lysine (00:09:36)
[INFO] Auto_mut: Mutating residue number 231 from chain A (leucine) into lysine (00:10:00)
[INFO] Auto_mut: Mutating residue number 119 from chain A (methionine) into aspartic acid (00:10:55)
[INFO] Auto_mut: Mutating residue number 231 from chain A (leucine) into aspartic acid (00:11:28)
[INFO] Auto_mut: Mutating residue number 91 from chain A (tyrosine) into aspartic acid (00:11:54)
[INFO] Auto_mut: Mutating residue number 119 from chain A (methionine) into arginine (00:12:13)
[INFO] Auto_mut: Mutating residue number 231 from chain A (leucine) into arginine (00:12:44)
[INFO] Auto_mut: Mutating residue number 91 from chain A (tyrosine) into arginine (00:13:11)
[INFO] Auto_mut: Mutating residue number 112 from chain A (leucine) into glutamic acid (00:13:31)
[INFO] Auto_mut: Mutating residue number 271 from chain A (tryptophan) into glutamic acid (00:13:57)
[INFO] Auto_mut: Mutating residue number 124 from chain A (leucine) into glutamic acid (00:14:28)
[INFO] Auto_mut: Mutating residue number 112 from chain A (leucine) into lysine (00:14:58)
[INFO] Auto_mut: Mutating residue number 271 from chain A (tryptophan) into lysine (00:15:15)
[INFO] Auto_mut: Mutating residue number 124 from chain A (leucine) into lysine (00:15:43)
[INFO] Auto_mut: Mutating residue number 112 from chain A (leucine) into aspartic acid (00:16:22)
[INFO] Auto_mut: Mutating residue number 271 from chain A (tryptophan) into aspartic acid (00:16:51)
[INFO] Auto_mut: Mutating residue number 124 from chain A (leucine) into aspartic acid (00:17:07)
[INFO] Auto_mut: Mutating residue number 112 from chain A (leucine) into arginine (00:17:45)
[INFO] Auto_mut: Mutating residue number 271 from chain A (tryptophan) into arginine (00:18:05)
[INFO] Auto_mut: Mutating residue number 124 from chain A (leucine) into arginine (00:18:22)
[INFO] Auto_mut: Mutating residue number 162 from chain A (valine) into glutamic acid (00:19:18)
[INFO] Auto_mut: Mutating residue number 162 from chain A (valine) into lysine (00:20:31)
[INFO] Auto_mut: Mutating residue number 162 from chain A (valine) into aspartic acid (00:21:55)
[INFO] Auto_mut: Mutating residue number 162 from chain A (valine) into arginine (00:23:06)
[INFO] Auto_mut: Effect of mutation residue number 274 from chain A (phenylalanine) into
glutamic acid: Energy difference: 0.7231 kcal/mol, Difference in average
score from the base case: -0.0155 (00:24:31)
[INFO] Auto_mut: Effect of mutation residue number 274 from chain A (phenylalanine) into
lysine: Energy difference: 0.1243 kcal/mol, Difference in average score
from the base case: -0.0152 (00:24:31)
[INFO] Auto_mut: Effect of mutation residue number 274 from chain A (phenylalanine) into
aspartic acid: Energy difference: 1.1811 kcal/mol, Difference in average
score from the base case: -0.0149 (00:24:31)
[INFO] Auto_mut: Effect of mutation residue number 274 from chain A (phenylalanine) into
arginine: Energy difference: 0.2778 kcal/mol, Difference in average score
from the base case: -0.0143 (00:24:31)
[INFO] Auto_mut: Effect of mutation residue number 204 from chain A (tyrosine) into glutamic
acid: Energy difference: 0.1341 kcal/mol, Difference in average score from
the base case: -0.0142 (00:24:31)
[INFO] Auto_mut: Effect of mutation residue number 204 from chain A (tyrosine) into lysine:
Energy difference: -0.0460 kcal/mol, Difference in average score from the
base case: -0.0129 (00:24:31)
[INFO] Auto_mut: Effect of mutation residue number 204 from chain A (tyrosine) into aspartic
acid: Energy difference: 0.5503 kcal/mol, Difference in average score from
the base case: -0.0135 (00:24:31)
[INFO] Auto_mut: Effect of mutation residue number 204 from chain A (tyrosine) into
arginine: Energy difference: 0.1181 kcal/mol, Difference in average score
from the base case: -0.0130 (00:24:31)
[INFO] Auto_mut: Effect of mutation residue number 92 from chain A (leucine) into glutamic
acid: Energy difference: 0.8591 kcal/mol, Difference in average score from
the base case: -0.0131 (00:24:31)
[INFO] Auto_mut: Effect of mutation residue number 92 from chain A (leucine) into lysine:
Energy difference: 0.7226 kcal/mol, Difference in average score from the
base case: -0.0108 (00:24:31)
[INFO] Auto_mut: Effect of mutation residue number 92 from chain A (leucine) into aspartic
acid: Energy difference: 1.3877 kcal/mol, Difference in average score from
the base case: -0.0132 (00:24:31)
[INFO] Auto_mut: Effect of mutation residue number 92 from chain A (leucine) into arginine:
Energy difference: 1.0048 kcal/mol, Difference in average score from the
base case: -0.0114 (00:24:31)
[INFO] Auto_mut: Effect of mutation residue number 91 from chain A (tyrosine) into glutamic
acid: Energy difference: 3.3497 kcal/mol, Difference in average score from
the base case: -0.0028 (00:24:31)
[INFO] Auto_mut: Effect of mutation residue number 91 from chain A (tyrosine) into lysine:
Energy difference: 1.7377 kcal/mol, Difference in average score from the
base case: -0.0026 (00:24:31)
[INFO] Auto_mut: Effect of mutation residue number 91 from chain A (tyrosine) into aspartic
acid: Energy difference: 2.3608 kcal/mol, Difference in average score from
the base case: -0.0050 (00:24:31)
[INFO] Auto_mut: Effect of mutation residue number 91 from chain A (tyrosine) into arginine:
Energy difference: 1.3672 kcal/mol, Difference in average score from the
base case: -0.0039 (00:24:31)
[INFO] Auto_mut: Effect of mutation residue number 119 from chain A (methionine) into
glutamic acid: Energy difference: 0.9995 kcal/mol, Difference in average
score from the base case: -0.0095 (00:24:31)
[INFO] Auto_mut: Effect of mutation residue number 119 from chain A (methionine) into
lysine: Energy difference: 0.9481 kcal/mol, Difference in average score
from the base case: -0.0109 (00:24:31)
[INFO] Auto_mut: Effect of mutation residue number 119 from chain A (methionine) into
aspartic acid: Energy difference: 1.0808 kcal/mol, Difference in average
score from the base case: -0.0121 (00:24:31)
[INFO] Auto_mut: Effect of mutation residue number 119 from chain A (methionine) into
arginine: Energy difference: 1.3226 kcal/mol, Difference in average score
from the base case: -0.0129 (00:24:31)
[INFO] Auto_mut: Effect of mutation residue number 231 from chain A (leucine) into glutamic
acid: Energy difference: 1.6926 kcal/mol, Difference in average score from
the base case: -0.0115 (00:24:31)
[INFO] Auto_mut: Effect of mutation residue number 231 from chain A (leucine) into lysine:
Energy difference: 0.9277 kcal/mol, Difference in average score from the
base case: -0.0066 (00:24:31)
[INFO] Auto_mut: Effect of mutation residue number 231 from chain A (leucine) into aspartic
acid: Energy difference: 2.2174 kcal/mol, Difference in average score from
the base case: -0.0106 (00:24:31)
[INFO] Auto_mut: Effect of mutation residue number 231 from chain A (leucine) into arginine:
Energy difference: 1.4017 kcal/mol, Difference in average score from the
base case: -0.0112 (00:24:31)
[INFO] Auto_mut: Effect of mutation residue number 112 from chain A (leucine) into glutamic
acid: Energy difference: 2.5979 kcal/mol, Difference in average score from
the base case: -0.0005 (00:24:31)
[INFO] Auto_mut: Effect of mutation residue number 112 from chain A (leucine) into lysine:
Energy difference: 2.0877 kcal/mol, Difference in average score from the
base case: -0.0008 (00:24:31)
[INFO] Auto_mut: Effect of mutation residue number 112 from chain A (leucine) into aspartic
acid: Energy difference: 3.3354 kcal/mol, Difference in average score from
the base case: -0.0023 (00:24:31)
[INFO] Auto_mut: Effect of mutation residue number 112 from chain A (leucine) into arginine:
Energy difference: 2.4932 kcal/mol, Difference in average score from the
base case: 0.0012 (00:24:31)
[INFO] Auto_mut: Effect of mutation residue number 271 from chain A (tryptophan) into
glutamic acid: Energy difference: 1.9094 kcal/mol, Difference in average
score from the base case: -0.0111 (00:24:31)
[INFO] Auto_mut: Effect of mutation residue number 271 from chain A (tryptophan) into
lysine: Energy difference: 1.2293 kcal/mol, Difference in average score
from the base case: -0.0044 (00:24:31)
[INFO] Auto_mut: Effect of mutation residue number 271 from chain A (tryptophan) into
aspartic acid: Energy difference: 2.2512 kcal/mol, Difference in average
score from the base case: -0.0089 (00:24:31)
[INFO] Auto_mut: Effect of mutation residue number 271 from chain A (tryptophan) into
arginine: Energy difference: 0.7741 kcal/mol, Difference in average score
from the base case: -0.0059 (00:24:31)
[INFO] Auto_mut: Effect of mutation residue number 124 from chain A (leucine) into glutamic
acid: Energy difference: -0.1110 kcal/mol, Difference in average score from
the base case: -0.0107 (00:24:31)
[INFO] Auto_mut: Effect of mutation residue number 124 from chain A (leucine) into lysine:
Energy difference: 0.9108 kcal/mol, Difference in average score from the
base case: -0.0025 (00:24:31)
[INFO] Auto_mut: Effect of mutation residue number 124 from chain A (leucine) into aspartic
acid: Energy difference: -0.6179 kcal/mol, Difference in average score from
the base case: -0.0038 (00:24:31)
[INFO] Auto_mut: Effect of mutation residue number 124 from chain A (leucine) into arginine:
Energy difference: 1.2950 kcal/mol, Difference in average score from the
base case: -0.0030 (00:24:31)
[INFO] Auto_mut: Effect of mutation residue number 162 from chain A (valine) into glutamic
acid: Energy difference: 1.2200 kcal/mol, Difference in average score from
the base case: -0.0013 (00:24:31)
[INFO] Auto_mut: Effect of mutation residue number 162 from chain A (valine) into lysine:
Energy difference: 1.0195 kcal/mol, Difference in average score from the
base case: -0.0062 (00:24:31)
[INFO] Auto_mut: Effect of mutation residue number 162 from chain A (valine) into aspartic
acid: Energy difference: 2.3064 kcal/mol, Difference in average score from
the base case: -0.0030 (00:24:31)
[INFO] Auto_mut: Effect of mutation residue number 162 from chain A (valine) into arginine:
Energy difference: 1.3733 kcal/mol, Difference in average score from the
base case: -0.0031 (00:24:31)
[INFO] Main: Simulation completed successfully. (00:24:40)
|
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 | 1.0444 | |
| 2 | S | A | 0.0544 | |
| 3 | K | A | -0.5573 | |
| 4 | L | A | 0.0000 | |
| 5 | C | A | 0.0000 | |
| 6 | L | A | 0.0000 | |
| 7 | D | A | 0.0000 | |
| 8 | F | A | 0.0000 | |
| 9 | G | A | 0.0000 | |
| 10 | H | A | -0.1675 | |
| 11 | G | A | 0.0000 | |
| 12 | G | A | -0.3425 | |
| 13 | K | A | -1.8420 | |
| 14 | D | A | -0.9442 | |
| 15 | S | A | -0.1845 | |
| 16 | G | A | -0.1119 | |
| 17 | A | A | 0.2503 | |
| 18 | V | A | 1.3241 | |
| 19 | G | A | -0.0681 | |
| 20 | H | A | -1.0855 | |
| 21 | G | A | -0.6246 | |
| 22 | M | A | -0.1197 | |
| 23 | K | A | -0.6754 | |
| 24 | E | A | 0.0000 | |
| 25 | K | A | -0.5826 | |
| 26 | D | A | -1.8360 | |
| 27 | I | A | 0.0000 | |
| 28 | V | A | 0.0000 | |
| 29 | L | A | 0.1101 | |
| 30 | D | A | -0.3546 | |
| 31 | V | A | 0.0000 | |
| 32 | G | A | 0.0000 | |
| 33 | L | A | 0.2713 | |
| 34 | R | A | -0.3998 | |
| 35 | T | A | 0.0000 | |
| 36 | H | A | -0.4862 | |
| 37 | K | A | -1.6919 | |
| 38 | I | A | -0.0571 | |
| 39 | L | A | 0.0000 | |
| 40 | T | A | -0.0132 | |
| 41 | N | A | 0.0000 | |
| 42 | A | A | -0.0095 | |
| 43 | G | A | -0.1138 | |
| 44 | I | A | 0.0000 | |
| 45 | D | A | -1.0072 | |
| 46 | V | A | 0.0878 | |
| 47 | L | A | 0.4111 | |
| 48 | L | A | 0.2925 | |
| 49 | T | A | 0.0000 | |
| 50 | R | A | 0.0000 | |
| 51 | S | A | -0.5473 | |
| 52 | D | A | -2.1528 | |
| 53 | D | A | -2.1215 | |
| 54 | T | A | -0.2191 | |
| 55 | F | A | 0.9265 | |
| 56 | V | A | 0.0000 | |
| 57 | G | A | 0.1633 | |
| 58 | L | A | 1.3172 | |
| 59 | S | A | -0.2554 | |
| 60 | D | A | -2.0208 | |
| 61 | R | A | 0.0000 | |
| 62 | A | A | 0.0000 | |
| 63 | R | A | -2.1982 | |
| 64 | K | A | -1.2144 | |
| 65 | A | A | 0.0000 | |
| 66 | N | A | -0.2327 | |
| 67 | S | A | -0.1831 | |
| 68 | W | A | 0.2848 | |
| 69 | G | A | -0.0206 | |
| 70 | A | A | 0.0000 | |
| 71 | D | A | -0.9427 | |
| 72 | L | A | 0.0000 | |
| 73 | F | A | 0.0000 | |
| 74 | V | A | 0.0000 | |
| 75 | S | A | 0.0000 | |
| 76 | L | A | 0.0000 | |
| 77 | H | A | -0.1384 | |
| 78 | N | A | 0.0000 | |
| 79 | N | A | -0.2179 | |
| 80 | S | A | -0.2347 | |
| 81 | G | A | -0.5697 | |
| 82 | G | A | -0.5599 | |
| 83 | G | A | -0.0671 | |
| 84 | Y | A | 0.4272 | |
| 85 | G | A | 0.0000 | |
| 86 | F | A | 0.0000 | |
| 87 | E | A | 0.0000 | |
| 88 | S | A | 0.0000 | |
| 89 | F | A | 0.0296 | |
| 90 | V | A | 0.0000 | |
| 91 | Y | A | 0.3667 | |
| 92 | L | A | 0.9075 | |
| 93 | K | A | -1.4819 | |
| 94 | T | A | -0.6722 | |
| 95 | D | A | -1.8344 | |
| 96 | S | A | -0.8446 | |
| 97 | K | A | -1.6709 | |
| 98 | T | A | 0.0000 | |
| 99 | D | A | -1.1645 | |
| 100 | Q | A | -1.3343 | |
| 101 | F | A | -0.0031 | |
| 102 | R | A | 0.0000 | |
| 103 | A | A | 0.0067 | |
| 104 | T | A | -0.0167 | |
| 105 | I | A | 0.0000 | |
| 106 | H | A | 0.0000 | |
| 107 | N | A | -1.3782 | |
| 108 | E | A | -0.8029 | |
| 109 | V | A | 0.0000 | |
| 110 | A | A | 0.0000 | |
| 111 | P | A | -0.2020 | |
| 112 | L | A | 0.2355 | |
| 113 | F | A | 0.0000 | |
| 114 | R | A | -2.1550 | |
| 115 | R | A | -2.3072 | |
| 116 | D | A | -2.1990 | |
| 117 | R | A | -0.9604 | |
| 118 | G | A | -0.1432 | |
| 119 | M | A | 0.3554 | |
| 120 | K | A | -0.8275 | |
| 121 | Q | A | -1.2728 | |
| 122 | A | A | -0.4394 | |
| 123 | N | A | -1.1940 | |
| 124 | L | A | 0.2087 | |
| 125 | A | A | -0.0061 | |
| 126 | V | A | 0.0000 | |
| 127 | L | A | 0.0000 | |
| 128 | R | A | -1.0577 | |
| 129 | E | A | -0.9242 | |
| 130 | T | A | -0.4744 | |
| 131 | R | A | -1.8254 | |
| 132 | M | A | -0.2509 | |
| 133 | P | A | -0.0102 | |
| 134 | A | A | 0.0000 | |
| 135 | C | A | 0.0000 | |
| 136 | L | A | 0.0000 | |
| 137 | L | A | 0.0000 | |
| 138 | E | A | -0.2344 | |
| 139 | L | A | 0.0000 | |
| 140 | G | A | 0.0000 | |
| 141 | F | A | 0.0000 | |
| 142 | I | A | 0.0000 | |
| 143 | D | A | -0.7215 | |
| 144 | H | A | -0.3228 | |
| 145 | A | A | -0.1939 | |
| 146 | E | A | -1.1465 | |
| 147 | D | A | 0.0000 | |
| 148 | A | A | 0.0000 | |
| 149 | A | A | -0.1106 | |
| 150 | D | A | -0.2310 | |
| 151 | L | A | 0.0000 | |
| 152 | A | A | -0.2918 | |
| 153 | R | A | -2.1639 | |
| 154 | D | A | -2.3921 | |
| 155 | D | A | -1.7334 | |
| 156 | F | A | -0.2269 | |
| 157 | R | A | -0.4547 | |
| 158 | D | A | -1.4986 | |
| 159 | K | A | -1.4177 | |
| 160 | L | A | 0.0000 | |
| 161 | A | A | 0.0000 | |
| 162 | V | A | 0.2083 | |
| 163 | A | A | 0.0000 | |
| 164 | I | A | 0.0000 | |
| 165 | A | A | 0.0000 | |
| 166 | N | A | -0.1473 | |
| 167 | G | A | 0.0000 | |
| 168 | I | A | 0.0000 | |
| 169 | L | A | 0.0000 | |
| 170 | K | A | -0.5356 | |
| 171 | A | A | -0.0341 | |
| 172 | F | A | 0.1898 | |
| 173 | G | A | -0.4741 | |
| 174 | T | A | -0.1994 | |
| 175 | G | A | -0.5151 | |
| 176 | P | A | -0.2933 | |
| 177 | V | A | 0.1700 | |
| 178 | S | A | -0.3633 | |
| 179 | H | A | -1.2290 | |
| 180 | Q | A | -1.4590 | |
| 181 | D | A | -0.5868 | |
| 182 | A | A | -0.0717 | |
| 183 | G | A | -0.2531 | |
| 184 | R | A | -0.6028 | |
| 185 | P | A | -0.3132 | |
| 186 | V | A | 0.0000 | |
| 187 | D | A | -1.3402 | |
| 188 | A | A | -0.2606 | |
| 189 | G | A | -0.1736 | |
| 190 | I | A | 0.0000 | |
| 191 | A | A | 0.0000 | |
| 192 | E | A | -1.4337 | |
| 193 | N | A | -1.1510 | |
| 194 | V | A | 0.0000 | |
| 195 | I | A | 0.0000 | |
| 196 | N | A | -1.2843 | |
| 197 | S | A | -0.2613 | |
| 198 | F | A | 0.1964 | |
| 199 | L | A | 0.0000 | |
| 200 | V | A | -0.0457 | |
| 201 | K | A | -1.6620 | |
| 202 | G | A | -0.4294 | |
| 203 | R | A | 0.0093 | |
| 204 | Y | A | 0.9463 | |
| 205 | D | A | -1.5480 | |
| 206 | A | A | 0.0000 | |
| 207 | H | A | -1.0259 | |
| 208 | A | A | -0.1182 | |
| 209 | A | A | -0.0175 | |
| 210 | G | A | -0.6653 | |
| 211 | N | A | -0.6733 | |
| 212 | A | A | -0.4990 | |
| 213 | E | A | -1.8233 | |
| 214 | S | A | -0.5748 | |
| 215 | R | A | -1.2597 | |
| 216 | D | A | -1.9002 | |
| 217 | W | A | 0.1014 | |
| 218 | I | A | 0.0000 | |
| 219 | R | A | -1.6091 | |
| 220 | L | A | 0.9267 | |
| 221 | C | A | 0.0000 | |
| 222 | E | A | 0.0000 | |
| 223 | D | A | -1.8358 | |
| 224 | E | A | -0.5829 | |
| 225 | L | A | 0.0000 | |
| 226 | R | A | -0.5153 | |
| 227 | V | A | 0.4098 | |
| 228 | S | A | 0.0000 | |
| 229 | A | A | -0.0151 | |
| 230 | G | A | 0.0439 | |
| 231 | L | A | 0.3100 | |
| 232 | H | A | -0.9609 | |
| 233 | P | A | -0.5551 | |
| 234 | A | A | -0.1157 | |
| 235 | G | A | -0.4422 | |
| 236 | P | A | -0.3558 | |
| 237 | G | A | -0.4307 | |
| 238 | R | A | -1.2812 | |
| 239 | P | A | -0.4261 | |
| 240 | L | A | 0.0000 | |
| 241 | N | A | -0.4083 | |
| 242 | P | A | -0.5314 | |
| 243 | D | A | -1.7776 | |
| 244 | I | A | -0.1437 | |
| 245 | A | A | 0.0000 | |
| 246 | Q | A | -1.2586 | |
| 247 | N | A | -1.1015 | |
| 248 | V | A | 0.0000 | |
| 249 | I | A | 0.0000 | |
| 250 | N | A | -1.2917 | |
| 251 | S | A | -0.3054 | |
| 252 | F | A | 0.1810 | |
| 253 | L | A | 0.0000 | |
| 254 | G | A | -0.1878 | |
| 255 | P | A | -0.3890 | |
| 256 | G | A | -0.0617 | |
| 257 | W | A | 0.0694 | |
| 258 | K | A | -1.6150 | |
| 259 | D | A | -2.0232 | |
| 260 | A | A | 0.0000 | |
| 261 | D | A | -1.1400 | |
| 262 | E | A | -1.9371 | |
| 263 | A | A | -0.3739 | |
| 264 | G | A | -0.5979 | |
| 265 | N | A | -0.8544 | |
| 266 | T | A | -0.5806 | |
| 267 | E | A | -1.8394 | |
| 268 | S | A | -0.4682 | |
| 269 | R | A | -0.8777 | |
| 270 | D | A | -1.8147 | |
| 271 | W | A | 0.2212 | |
| 272 | I | A | 0.0000 | |
| 273 | H | A | -0.0288 | |
| 274 | F | A | 1.8102 | |
| 275 | C | A | 0.0000 | |
| 276 | A | A | 0.0000 | |
| 277 | N | A | -0.2797 | |
| 278 | E | A | -0.2282 | |
| 279 | L | A | 0.0000 | |
| 280 | R | A | 0.0000 | |
| 281 | K | A | -0.6219 | |
| 282 | A | A | 0.0000 | |
| 283 | S | A | -0.0736 | |
| 284 | G | A | -0.1522 | |
| 285 | L | A | 0.1299 | |
| 286 | P | A | -0.1551 | |
| 287 | T | A | -0.4018 | |
| 288 | E | A | -2.1466 | |
| 289 | D | A | -2.1164 |
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 |
|||
| YK204A | -0.046 | -0.0129 | View | CSV | PDB |
| LE124A | -0.111 | -0.0107 | View | CSV | PDB |
| LD124A | -0.6179 | -0.0038 | View | CSV | PDB |
| FK274A | 0.1243 | -0.0152 | View | CSV | PDB |
| YR204A | 0.1181 | -0.013 | View | CSV | PDB |
| FR274A | 0.2778 | -0.0143 | View | CSV | PDB |
| LE92A | 0.8591 | -0.0131 | View | CSV | PDB |
| LK92A | 0.7226 | -0.0108 | View | CSV | PDB |
| MK119A | 0.9481 | -0.0109 | View | CSV | PDB |
| MD119A | 1.0808 | -0.0121 | View | CSV | PDB |
| LR231A | 1.4017 | -0.0112 | View | CSV | PDB |
| WR271A | 0.7741 | -0.0059 | View | CSV | PDB |
| LK231A | 0.9277 | -0.0066 | View | CSV | PDB |
| VK162A | 1.0195 | -0.0062 | View | CSV | PDB |
| WE271A | 1.9094 | -0.0111 | View | CSV | PDB |
| YR91A | 1.3672 | -0.0039 | View | CSV | PDB |
| VR162A | 1.3733 | -0.0031 | View | CSV | PDB |
| YD91A | 2.3608 | -0.005 | View | CSV | PDB |
| LD112A | 3.3354 | -0.0023 | View | CSV | PDB |
| LK112A | 2.0877 | -0.0008 | 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