| Chain sequence(s) |
A: MTDNLLPHLLSGFNDDLLNQLRLGKSTTEHPVLKGDTSELAWLDMLQTYLPKRYEAQKGIVIDSEGSKSEQIDIVIFDRQYSPFIFTNSGIHYIPAESVYAVFEVKQSLNKDNLAYAQQKTKSVRSLKKTSLPVPNIYGTSTAKEPHFIHGGLLSLSSDWTPPFGQPFEKQMQAADETSMLNLVCAASEGFFELDEGKQIYLKQKPVTMFFFRLVSVLQQKGTAPMMDIMAYAKWLEV
C: MTDNLLPHLLSGFNDDLLNQLRLGKSTTEHPVLKGDTSELAWLDMLQTYLPKRYEAQKGIVIDSEGSKSEQIDIVIFDRQYSPFIFTNSGIHYIPAESVYAVFEVKQSLNKDNLAYAQQKTKSVRSLKKTSLPVPNIYGTSTAKEPHFIHGGLLSLSSDWTPPFGQPFEKQMQAADETSMLNLVCAASEGFFELDEGKQIYLKQKPVTMFFFRLVSVLQQKGTAPMMDIMAYAKWLEV B: MTDNLLPHLLSGFNDDLLNQLRLGKSTTEHPVLKGDTSELAWLDMLQTYLPKRYEAQKGIVIDSEGSKSEQIDIVIFDRQYSPFIFTNSGIHYIPAESVYAVFEVKQSLNKDNLAYAQQKTKSVRSLKKTSLPVPNIYGTSTAKEPHFIHGGLLSLSSDWTPPFGQPFEKQMQAADETSMLNLVCAASEGFFELDEGKQIYLKQKPVTMFFFRLVSVLQQKGTAPMMDIMAYAKWLEV input PDB |
| Selected Chain(s) | A,B,C |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | No |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | Yes |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:09:44)
[INFO] AutoMutEv:Residue number 138 from chain B and a score of 1.331 (tyrosine) selected
for automated mutation (00:09:49)
[INFO] AutoMutEv:Residue number 32 from chain A and a score of 1.304 (valine) selected for
automated mutation (00:09:49)
[INFO] AutoMutEv:Residue number 32 from chain C and a score of 1.298 (valine) selected for
automated mutation (00:09:49)
[INFO] AutoMutEv:Residue number 138 from chain C and a score of 1.271 (tyrosine) selected
for automated mutation (00:09:49)
[INFO] AutoMutEv:Residue number 32 from chain B and a score of 1.248 (valine) selected for
automated mutation (00:09:49)
[INFO] AutoMutEv:Residue number 138 from chain A and a score of 1.235 (tyrosine) selected
for automated mutation (00:09:49)
[INFO] AutoMutEv:Mutating residue number 138 from chain B (tyrosine) into histidine (00:09:49)
[INFO] AutoMutEv:Mutating residue number 138 from chain B (tyrosine) into tryptophan (00:09:49)
[INFO] AutoMutEv:Mutating residue number 32 from chain A (valine) into alanine (00:09:49)
[INFO] AutoMutEv:Mutating residue number 32 from chain A (valine) into methionine (00:10:04)
[INFO] AutoMutEv:Mutating residue number 32 from chain A (valine) into threonine (00:10:05)
[INFO] AutoMutEv:Mutating residue number 138 from chain B (tyrosine) into cysteine (00:10:10)
[INFO] AutoMutEv:Mutating residue number 32 from chain C (valine) into threonine (00:10:18)
[INFO] AutoMutEv:Mutating residue number 32 from chain C (valine) into methionine (00:10:20)
[INFO] AutoMutEv:Mutating residue number 138 from chain C (tyrosine) into cysteine (00:10:28)
[INFO] AutoMutEv:Mutating residue number 32 from chain C (valine) into alanine (00:10:31)
[INFO] AutoMutEv:Mutating residue number 138 from chain C (tyrosine) into histidine (00:10:39)
[INFO] AutoMutEv:Mutating residue number 138 from chain C (tyrosine) into tryptophan (00:10:44)
[INFO] AutoMutEv:Mutating residue number 32 from chain B (valine) into threonine (00:10:44)
[INFO] AutoMutEv:Mutating residue number 32 from chain B (valine) into alanine (00:10:58)
[INFO] AutoMutEv:Mutating residue number 32 from chain B (valine) into methionine (00:11:00)
[INFO] AutoMutEv:Mutating residue number 138 from chain A (tyrosine) into cysteine (00:11:02)
[INFO] AutoMutEv:Mutating residue number 138 from chain A (tyrosine) into tryptophan (00:11:18)
[INFO] AutoMutEv:Mutating residue number 138 from chain A (tyrosine) into histidine (00:11:19)
[INFO] AutoMutEv:Effect of mutation residue number 138 from chain B (tyrosine) into
histidine: Energy difference: 0.7942 kcal/mol, Difference in average score
from the base case: -0.0144 (00:11:40)
[INFO] AutoMutEv:Effect of mutation residue number 138 from chain B (tyrosine) into
cysteine: Energy difference: 0.5708 kcal/mol, Difference in average score
from the base case: -0.0091 (00:11:40)
[INFO] AutoMutEv:Effect of mutation residue number 138 from chain B (tyrosine) into
tryptophan: Energy difference: -0.4415 kcal/mol, Difference in average
score from the base case: 0.0002 (00:11:40)
[INFO] AutoMutEv:Effect of mutation residue number 32 from chain A (valine) into threonine:
Energy difference: 0.1865 kcal/mol, Difference in average score from the
base case: -0.0089 (00:11:40)
[INFO] AutoMutEv:Effect of mutation residue number 32 from chain A (valine) into alanine:
Energy difference: 0.1294 kcal/mol, Difference in average score from the
base case: -0.0071 (00:11:40)
[INFO] AutoMutEv:Effect of mutation residue number 32 from chain A (valine) into methionine:
Energy difference: -0.3932 kcal/mol, Difference in average score from the
base case: -0.0047 (00:11:40)
[INFO] AutoMutEv:Effect of mutation residue number 32 from chain C (valine) into threonine:
Energy difference: -0.4581 kcal/mol, Difference in average score from the
base case: -0.0078 (00:11:40)
[INFO] AutoMutEv:Effect of mutation residue number 32 from chain C (valine) into alanine:
Energy difference: -0.0339 kcal/mol, Difference in average score from the
base case: -0.0068 (00:11:40)
[INFO] AutoMutEv:Effect of mutation residue number 32 from chain C (valine) into methionine:
Energy difference: -0.5553 kcal/mol, Difference in average score from the
base case: -0.0046 (00:11:40)
[INFO] AutoMutEv:Effect of mutation residue number 138 from chain C (tyrosine) into
histidine: Energy difference: 0.5684 kcal/mol, Difference in average score
from the base case: -0.0144 (00:11:40)
[INFO] AutoMutEv:Effect of mutation residue number 138 from chain C (tyrosine) into
cysteine: Energy difference: 0.9539 kcal/mol, Difference in average score
from the base case: -0.0061 (00:11:40)
[INFO] AutoMutEv:Effect of mutation residue number 138 from chain C (tyrosine) into
tryptophan: Energy difference: -0.2974 kcal/mol, Difference in average
score from the base case: 0.0003 (00:11:40)
[INFO] AutoMutEv:Effect of mutation residue number 32 from chain B (valine) into threonine:
Energy difference: -0.3383 kcal/mol, Difference in average score from the
base case: -0.0074 (00:11:40)
[INFO] AutoMutEv:Effect of mutation residue number 32 from chain B (valine) into alanine:
Energy difference: 0.0231 kcal/mol, Difference in average score from the
base case: -0.0065 (00:11:40)
[INFO] AutoMutEv:Effect of mutation residue number 32 from chain B (valine) into methionine:
Energy difference: -0.5861 kcal/mol, Difference in average score from the
base case: -0.0029 (00:11:40)
[INFO] AutoMutEv:Effect of mutation residue number 138 from chain A (tyrosine) into
histidine: Energy difference: 0.6070 kcal/mol, Difference in average score
from the base case: -0.0150 (00:11:40)
[INFO] AutoMutEv:Effect of mutation residue number 138 from chain A (tyrosine) into
cysteine: Energy difference: 0.9850 kcal/mol, Difference in average score
from the base case: -0.0069 (00:11:40)
[INFO] AutoMutEv:Effect of mutation residue number 138 from chain A (tyrosine) into
tryptophan: Energy difference: -0.2705 kcal/mol, Difference in average
score from the base case: 0.0001 (00:11:40)
[INFO] Main: Simulation completed successfully. (00:11:46)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | M | A | 0.4942 | |
| 2 | T | A | -0.4905 | |
| 3 | D | A | -1.7456 | |
| 4 | N | A | -1.3784 | |
| 5 | L | A | -1.0545 | |
| 6 | L | A | 0.0000 | |
| 7 | P | A | -0.7313 | |
| 8 | H | A | -1.1528 | |
| 9 | L | A | 0.0000 | |
| 10 | L | A | 0.0000 | |
| 11 | S | A | -0.8918 | |
| 12 | G | A | -1.4044 | |
| 13 | F | A | 0.0000 | |
| 14 | N | A | 0.0000 | |
| 15 | D | A | -2.1983 | |
| 16 | D | A | -2.7403 | |
| 17 | L | A | 0.0000 | |
| 18 | L | A | -1.8395 | |
| 19 | N | A | -2.5992 | |
| 20 | Q | A | -1.9894 | |
| 21 | L | A | 0.0000 | |
| 22 | R | A | -2.2484 | |
| 23 | L | A | -0.4431 | |
| 24 | G | A | 0.0000 | |
| 25 | K | A | -2.2880 | |
| 26 | S | A | -1.3847 | |
| 27 | T | A | -0.9879 | |
| 28 | T | A | 0.0000 | |
| 29 | E | A | -2.3140 | |
| 30 | H | A | -1.4332 | |
| 31 | P | A | -0.4449 | |
| 32 | V | A | 1.3040 | |
| 33 | L | A | 0.6020 | |
| 34 | K | A | -0.5486 | |
| 35 | G | A | -0.5204 | |
| 36 | D | A | -0.3584 | |
| 37 | T | A | -0.2037 | |
| 38 | S | A | 0.0000 | |
| 39 | E | A | 0.0000 | |
| 40 | L | A | -0.1612 | |
| 41 | A | A | 0.0000 | |
| 42 | W | A | 0.0000 | |
| 43 | L | A | 0.0000 | |
| 44 | D | A | -1.7930 | |
| 45 | M | A | 0.0000 | |
| 46 | L | A | 0.0000 | |
| 47 | Q | A | -1.6792 | |
| 48 | T | A | -1.0728 | |
| 49 | Y | A | -0.5558 | |
| 50 | L | A | 0.0000 | |
| 51 | P | A | 0.0000 | |
| 52 | K | A | -1.8066 | |
| 53 | R | A | 0.0000 | |
| 54 | Y | A | 0.0000 | |
| 55 | E | A | -0.9270 | |
| 56 | A | A | 0.0000 | |
| 57 | Q | A | -0.8724 | |
| 58 | K | A | -0.8419 | |
| 59 | G | A | 0.0000 | |
| 60 | I | A | 0.0000 | |
| 61 | V | A | 0.0000 | |
| 62 | I | A | 0.0000 | |
| 63 | D | A | 0.0000 | |
| 64 | S | A | 0.0000 | |
| 65 | E | A | -2.5044 | |
| 66 | G | A | -1.8031 | |
| 67 | S | A | -1.5484 | |
| 68 | K | A | -2.0426 | |
| 69 | S | A | 0.0000 | |
| 70 | E | A | -2.4019 | |
| 71 | Q | A | -1.5835 | |
| 72 | I | A | 0.0000 | |
| 73 | D | A | -0.9739 | |
| 74 | I | A | 0.0000 | |
| 75 | V | A | 0.0000 | |
| 76 | I | A | 0.0000 | |
| 77 | F | A | 0.0000 | |
| 78 | D | A | 0.0000 | |
| 79 | R | A | 0.0000 | |
| 80 | Q | A | 0.0000 | |
| 81 | Y | A | -0.0882 | |
| 82 | S | A | 0.0000 | |
| 83 | P | A | 0.0000 | |
| 84 | F | A | 0.0326 | |
| 85 | I | A | 0.0000 | |
| 86 | F | A | 0.0000 | |
| 87 | T | A | -0.4647 | |
| 88 | N | A | -1.0563 | |
| 89 | S | A | -0.7157 | |
| 90 | G | A | -0.6946 | |
| 91 | I | A | -0.3347 | |
| 92 | H | A | -0.4158 | |
| 93 | Y | A | -0.2962 | |
| 94 | I | A | 0.0000 | |
| 95 | P | A | 0.0000 | |
| 96 | A | A | 0.0000 | |
| 97 | E | A | 0.0000 | |
| 98 | S | A | 0.0000 | |
| 99 | V | A | 0.0000 | |
| 100 | Y | A | 0.0000 | |
| 101 | A | A | 0.0000 | |
| 102 | V | A | 0.0000 | |
| 103 | F | A | 0.0000 | |
| 104 | E | A | 0.0000 | |
| 105 | V | A | 0.0000 | |
| 106 | K | A | -0.8102 | |
| 107 | Q | A | -1.2906 | |
| 108 | S | A | -1.2732 | |
| 109 | L | A | 0.0000 | |
| 110 | N | A | -2.1670 | |
| 111 | K | A | -2.9931 | |
| 112 | D | A | -2.4169 | |
| 113 | N | A | -1.4148 | |
| 114 | L | A | 0.0000 | |
| 115 | A | A | -0.8718 | |
| 116 | Y | A | -0.1156 | |
| 117 | A | A | 0.0000 | |
| 118 | Q | A | 0.0000 | |
| 119 | Q | A | -1.3829 | |
| 120 | K | A | -1.3240 | |
| 121 | T | A | 0.0000 | |
| 122 | K | A | -1.9463 | |
| 123 | S | A | -1.6303 | |
| 124 | V | A | 0.0000 | |
| 125 | R | A | -1.0980 | |
| 126 | S | A | -1.0790 | |
| 127 | L | A | 0.0000 | |
| 128 | K | A | -2.1854 | |
| 129 | K | A | -1.6498 | |
| 130 | T | A | -0.8531 | |
| 131 | S | A | -0.5132 | |
| 132 | L | A | -0.1388 | |
| 133 | P | A | -0.1226 | |
| 134 | V | A | 0.0830 | |
| 135 | P | A | -0.1694 | |
| 136 | N | A | 0.0237 | |
| 137 | I | A | 0.6179 | |
| 138 | Y | A | 1.2351 | |
| 139 | G | A | 0.3806 | |
| 140 | T | A | 0.0308 | |
| 141 | S | A | 0.0000 | |
| 142 | T | A | -0.0141 | |
| 143 | A | A | -0.3583 | |
| 144 | K | A | -0.8549 | |
| 145 | E | A | -1.8512 | |
| 146 | P | A | -1.1794 | |
| 147 | H | A | -0.4708 | |
| 148 | F | A | 0.5546 | |
| 149 | I | A | 0.0000 | |
| 150 | H | A | 0.0000 | |
| 151 | G | A | 0.0000 | |
| 152 | G | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | L | A | 0.0000 | |
| 155 | S | A | 0.0000 | |
| 156 | L | A | 0.0000 | |
| 157 | S | A | -0.9699 | |
| 158 | S | A | -1.1734 | |
| 159 | D | A | -2.1322 | |
| 160 | W | A | -1.2724 | |
| 161 | T | A | -0.7336 | |
| 162 | P | A | -0.6870 | |
| 163 | P | A | 0.0000 | |
| 164 | F | A | -0.6358 | |
| 165 | G | A | -1.2804 | |
| 166 | Q | A | -2.3298 | |
| 167 | P | A | -2.1179 | |
| 168 | F | A | 0.0000 | |
| 169 | E | A | -3.2109 | |
| 170 | K | A | -3.4758 | |
| 171 | Q | A | -2.5803 | |
| 172 | M | A | 0.0000 | |
| 173 | Q | A | -2.5092 | |
| 174 | A | A | -1.8284 | |
| 175 | A | A | -2.0176 | |
| 176 | D | A | -2.8995 | |
| 177 | E | A | -2.7740 | |
| 178 | T | A | -1.8808 | |
| 179 | S | A | -1.6835 | |
| 180 | M | A | -1.5161 | |
| 181 | L | A | 0.0000 | |
| 182 | N | A | 0.0000 | |
| 183 | L | A | 0.0000 | |
| 184 | V | A | 0.0000 | |
| 185 | C | A | 0.0000 | |
| 186 | A | A | 0.0000 | |
| 187 | A | A | 0.0000 | |
| 188 | S | A | -1.1614 | |
| 189 | E | A | -1.0794 | |
| 190 | G | A | 0.0000 | |
| 191 | F | A | 0.0000 | |
| 192 | F | A | 0.0000 | |
| 193 | E | A | 0.0000 | |
| 194 | L | A | -1.2037 | |
| 195 | D | A | -2.1351 | |
| 196 | E | A | -2.8469 | |
| 197 | G | A | -2.3915 | |
| 198 | K | A | -2.7601 | |
| 199 | Q | A | -1.8225 | |
| 200 | I | A | 0.1342 | |
| 201 | Y | A | 1.0140 | |
| 202 | L | A | -0.1880 | |
| 203 | K | A | -1.9567 | |
| 204 | Q | A | -1.7295 | |
| 205 | K | A | -1.4359 | |
| 206 | P | A | 0.0000 | |
| 207 | V | A | 0.0000 | |
| 208 | T | A | 0.0000 | |
| 209 | M | A | 0.0000 | |
| 210 | F | A | 0.0000 | |
| 211 | F | A | 0.0000 | |
| 212 | F | A | 0.0000 | |
| 213 | R | A | -0.1988 | |
| 214 | L | A | 0.0000 | |
| 215 | V | A | 0.0000 | |
| 216 | S | A | -0.4510 | |
| 217 | V | A | 0.0000 | |
| 218 | L | A | 0.0000 | |
| 219 | Q | A | 0.0000 | |
| 220 | Q | A | -1.2799 | |
| 221 | K | A | -0.7227 | |
| 222 | G | A | -0.4620 | |
| 223 | T | A | -0.2305 | |
| 224 | A | A | 0.0000 | |
| 225 | P | A | 0.0000 | |
| 226 | M | A | -0.2035 | |
| 227 | M | A | 0.0000 | |
| 228 | D | A | -0.2882 | |
| 229 | I | A | 0.0000 | |
| 230 | M | A | -0.1184 | |
| 231 | A | A | -0.5403 | |
| 232 | Y | A | 0.0000 | |
| 233 | A | A | 0.0000 | |
| 234 | K | A | -1.2608 | |
| 235 | W | A | -0.6933 | |
| 236 | L | A | 0.0000 | |
| 237 | E | A | -1.5072 | |
| 238 | V | A | 0.4806 | |
| 1 | M | B | 0.5024 | |
| 2 | T | B | -0.4854 | |
| 3 | D | B | -1.7562 | |
| 4 | N | B | -1.2929 | |
| 5 | L | B | -0.9411 | |
| 6 | L | B | 0.0000 | |
| 7 | P | B | -0.7545 | |
| 8 | H | B | -1.2042 | |
| 9 | L | B | 0.0000 | |
| 10 | L | B | 0.0000 | |
| 11 | S | B | -0.9406 | |
| 12 | G | B | -1.5391 | |
| 13 | F | B | 0.0000 | |
| 14 | N | B | 0.0000 | |
| 15 | D | B | -2.2327 | |
| 16 | D | B | -2.7904 | |
| 17 | L | B | 0.0000 | |
| 18 | L | B | -1.8206 | |
| 19 | N | B | -2.6379 | |
| 20 | Q | B | -1.9905 | |
| 21 | L | B | 0.0000 | |
| 22 | R | B | -2.1847 | |
| 23 | L | B | -0.4345 | |
| 24 | G | B | 0.0000 | |
| 25 | K | B | -2.2769 | |
| 26 | S | B | -1.3505 | |
| 27 | T | B | -0.9527 | |
| 28 | T | B | 0.0000 | |
| 29 | E | B | -2.2681 | |
| 30 | H | B | -1.3449 | |
| 31 | P | B | -0.4763 | |
| 32 | V | B | 1.2478 | |
| 33 | L | B | 0.5008 | |
| 34 | K | B | -0.5866 | |
| 35 | G | B | -0.5769 | |
| 36 | D | B | -0.5516 | |
| 37 | T | B | -0.1964 | |
| 38 | S | B | 0.0000 | |
| 39 | E | B | 0.0000 | |
| 40 | L | B | 0.2295 | |
| 41 | A | B | -0.6704 | |
| 42 | W | B | 0.0000 | |
| 43 | L | B | 0.0000 | |
| 44 | D | B | -1.6994 | |
| 45 | M | B | 0.0000 | |
| 46 | L | B | 0.0000 | |
| 47 | Q | B | -1.8280 | |
| 48 | T | B | -1.1429 | |
| 49 | Y | B | -0.6250 | |
| 50 | L | B | 0.0000 | |
| 51 | P | B | 0.0000 | |
| 52 | K | B | -1.8076 | |
| 53 | R | B | 0.0000 | |
| 54 | Y | B | 0.0000 | |
| 55 | E | B | -0.9854 | |
| 56 | A | B | 0.0000 | |
| 57 | Q | B | -0.9588 | |
| 58 | K | B | -0.9602 | |
| 59 | G | B | 0.0000 | |
| 60 | I | B | 0.0000 | |
| 61 | V | B | 0.0000 | |
| 62 | I | B | 0.0000 | |
| 63 | D | B | 0.0000 | |
| 64 | S | B | 0.0000 | |
| 65 | E | B | -2.6646 | |
| 66 | G | B | -1.9838 | |
| 67 | S | B | -1.8072 | |
| 68 | K | B | -2.4882 | |
| 69 | S | B | 0.0000 | |
| 70 | E | B | -2.4464 | |
| 71 | Q | B | -1.8552 | |
| 72 | I | B | 0.0000 | |
| 73 | D | B | -0.9892 | |
| 74 | I | B | 0.0000 | |
| 75 | V | B | 0.0000 | |
| 76 | I | B | 0.0000 | |
| 77 | F | B | 0.0000 | |
| 78 | D | B | 0.0000 | |
| 79 | R | B | 0.0000 | |
| 80 | Q | B | 0.0000 | |
| 81 | Y | B | -0.1384 | |
| 82 | S | B | 0.0000 | |
| 83 | P | B | 0.0000 | |
| 84 | F | B | 0.0000 | |
| 85 | I | B | 0.2342 | |
| 86 | F | B | 0.0000 | |
| 87 | T | B | -0.5613 | |
| 88 | N | B | -1.2859 | |
| 89 | S | B | -0.8333 | |
| 90 | G | B | -0.7984 | |
| 91 | I | B | -0.5183 | |
| 92 | H | B | -0.5688 | |
| 93 | Y | B | -0.4383 | |
| 94 | I | B | 0.0000 | |
| 95 | P | B | 0.0000 | |
| 96 | A | B | 0.0000 | |
| 97 | E | B | 0.0000 | |
| 98 | S | B | 0.0000 | |
| 99 | V | B | 0.0000 | |
| 100 | Y | B | 0.0000 | |
| 101 | A | B | 0.0000 | |
| 102 | V | B | 0.0000 | |
| 103 | F | B | 0.0000 | |
| 104 | E | B | 0.0000 | |
| 105 | V | B | 0.0000 | |
| 106 | K | B | -0.7671 | |
| 107 | Q | B | -1.2647 | |
| 108 | S | B | -1.2499 | |
| 109 | L | B | 0.0000 | |
| 110 | N | B | -2.1658 | |
| 111 | K | B | -3.0027 | |
| 112 | D | B | -2.4336 | |
| 113 | N | B | -1.4232 | |
| 114 | L | B | 0.0000 | |
| 115 | A | B | -0.9061 | |
| 116 | Y | B | -0.1585 | |
| 117 | A | B | 0.0000 | |
| 118 | Q | B | 0.0000 | |
| 119 | Q | B | -1.3530 | |
| 120 | K | B | -1.3106 | |
| 121 | T | B | 0.0000 | |
| 122 | K | B | -1.8304 | |
| 123 | S | B | -1.6431 | |
| 124 | V | B | 0.0000 | |
| 125 | R | B | -1.1157 | |
| 126 | S | B | -1.1241 | |
| 127 | L | B | 0.0000 | |
| 128 | K | B | -2.5435 | |
| 129 | K | B | -1.7957 | |
| 130 | T | B | -0.9266 | |
| 131 | S | B | -0.5007 | |
| 132 | L | B | -0.1032 | |
| 133 | P | B | -0.1158 | |
| 134 | V | B | 0.0758 | |
| 135 | P | B | -0.1315 | |
| 136 | N | B | 0.0626 | |
| 137 | I | B | 0.8258 | |
| 138 | Y | B | 1.3309 | |
| 139 | G | B | 0.4355 | |
| 140 | T | B | 0.0529 | |
| 141 | S | B | 0.0000 | |
| 142 | T | B | -0.0338 | |
| 143 | A | B | -0.3566 | |
| 144 | K | B | -0.8645 | |
| 145 | E | B | -1.8798 | |
| 146 | P | B | -1.2450 | |
| 147 | H | B | -0.5443 | |
| 148 | F | B | 0.3971 | |
| 149 | I | B | 0.0000 | |
| 150 | H | B | 0.0000 | |
| 151 | G | B | 0.0000 | |
| 152 | G | B | 0.0000 | |
| 153 | L | B | 0.0000 | |
| 154 | L | B | 0.0000 | |
| 155 | S | B | 0.0000 | |
| 156 | L | B | 0.0000 | |
| 157 | S | B | -0.9118 | |
| 158 | S | B | -1.0973 | |
| 159 | D | B | -2.1364 | |
| 160 | W | B | -1.2738 | |
| 161 | T | B | -0.7231 | |
| 162 | P | B | -0.6721 | |
| 163 | P | B | 0.0000 | |
| 164 | F | B | -0.5608 | |
| 165 | G | B | -1.2058 | |
| 166 | Q | B | -2.2297 | |
| 167 | P | B | -2.0257 | |
| 168 | F | B | 0.0000 | |
| 169 | E | B | -2.9407 | |
| 170 | K | B | -3.3422 | |
| 171 | Q | B | -2.5052 | |
| 172 | M | B | 0.0000 | |
| 173 | Q | B | -2.4277 | |
| 174 | A | B | -1.7806 | |
| 175 | A | B | -1.9934 | |
| 176 | D | B | -2.8441 | |
| 177 | E | B | -2.7439 | |
| 178 | T | B | -1.8482 | |
| 179 | S | B | -1.6437 | |
| 180 | M | B | -1.5093 | |
| 181 | L | B | 0.0000 | |
| 182 | N | B | 0.0000 | |
| 183 | L | B | 0.0000 | |
| 184 | V | B | 0.0000 | |
| 185 | C | B | 0.0000 | |
| 186 | A | B | 0.0000 | |
| 187 | A | B | 0.0000 | |
| 188 | S | B | -1.0458 | |
| 189 | E | B | -0.9824 | |
| 190 | G | B | 0.0000 | |
| 191 | F | B | 0.0000 | |
| 192 | F | B | 0.0000 | |
| 193 | E | B | 0.0000 | |
| 194 | L | B | -1.0859 | |
| 195 | D | B | -2.0803 | |
| 196 | E | B | -2.8108 | |
| 197 | G | B | -2.3113 | |
| 198 | K | B | -2.5796 | |
| 199 | Q | B | -1.4855 | |
| 200 | I | B | 0.3231 | |
| 201 | Y | B | 1.0634 | |
| 202 | L | B | -0.2684 | |
| 203 | K | B | -1.9866 | |
| 204 | Q | B | -1.7655 | |
| 205 | K | B | -1.4443 | |
| 206 | P | B | 0.0000 | |
| 207 | V | B | 0.0000 | |
| 208 | T | B | 0.0000 | |
| 209 | M | B | 0.0000 | |
| 210 | F | B | 0.0000 | |
| 211 | F | B | 0.0000 | |
| 212 | F | B | 0.0000 | |
| 213 | R | B | -0.2290 | |
| 214 | L | B | 0.0000 | |
| 215 | V | B | 0.0000 | |
| 216 | S | B | -0.4906 | |
| 217 | V | B | 0.0000 | |
| 218 | L | B | 0.0000 | |
| 219 | Q | B | -0.6842 | |
| 220 | Q | B | -1.3235 | |
| 221 | K | B | -0.7660 | |
| 222 | G | B | -0.4878 | |
| 223 | T | B | -0.2534 | |
| 224 | A | B | 0.0000 | |
| 225 | P | B | 0.0000 | |
| 226 | M | B | -0.1790 | |
| 227 | M | B | 0.0000 | |
| 228 | D | B | -0.2994 | |
| 229 | I | B | 0.0000 | |
| 230 | M | B | -0.1882 | |
| 231 | A | B | -0.6331 | |
| 232 | Y | B | 0.0000 | |
| 233 | A | B | -0.6664 | |
| 234 | K | B | -1.5439 | |
| 235 | W | B | -0.8403 | |
| 236 | L | B | 0.0000 | |
| 237 | E | B | -1.5598 | |
| 238 | V | B | 0.4273 | |
| 1 | M | C | 0.4984 | |
| 2 | T | C | -0.4862 | |
| 3 | D | C | -1.7395 | |
| 4 | N | C | -1.3070 | |
| 5 | L | C | -0.9505 | |
| 6 | L | C | 0.0000 | |
| 7 | P | C | -0.6807 | |
| 8 | H | C | -1.1119 | |
| 9 | L | C | 0.0000 | |
| 10 | L | C | 0.0000 | |
| 11 | S | C | -0.8906 | |
| 12 | G | C | -1.3669 | |
| 13 | F | C | 0.0000 | |
| 14 | N | C | 0.0000 | |
| 15 | D | C | -2.0915 | |
| 16 | D | C | -2.6257 | |
| 17 | L | C | 0.0000 | |
| 18 | L | C | -1.5245 | |
| 19 | N | C | -2.1526 | |
| 20 | Q | C | -1.7633 | |
| 21 | L | C | 0.0000 | |
| 22 | R | C | -1.8482 | |
| 23 | L | C | -0.2772 | |
| 24 | G | C | 0.0000 | |
| 25 | K | C | -2.4843 | |
| 26 | S | C | -1.4514 | |
| 27 | T | C | -1.0312 | |
| 28 | T | C | 0.0000 | |
| 29 | E | C | -2.3690 | |
| 30 | H | C | -1.4701 | |
| 31 | P | C | -0.5229 | |
| 32 | V | C | 1.2976 | |
| 33 | L | C | 0.5477 | |
| 34 | K | C | -0.6152 | |
| 35 | G | C | -0.5108 | |
| 36 | D | C | -0.3033 | |
| 37 | T | C | -0.1987 | |
| 38 | S | C | 0.0000 | |
| 39 | E | C | 0.0000 | |
| 40 | L | C | -0.1407 | |
| 41 | A | C | 0.0000 | |
| 42 | W | C | 0.0000 | |
| 43 | L | C | 0.0000 | |
| 44 | D | C | -1.8792 | |
| 45 | M | C | 0.0000 | |
| 46 | L | C | 0.0000 | |
| 47 | Q | C | -1.9072 | |
| 48 | T | C | -1.2068 | |
| 49 | Y | C | 0.0000 | |
| 50 | L | C | 0.0000 | |
| 51 | P | C | 0.0000 | |
| 52 | K | C | -1.7225 | |
| 53 | R | C | 0.0000 | |
| 54 | Y | C | 0.0000 | |
| 55 | E | C | -0.9016 | |
| 56 | A | C | 0.0000 | |
| 57 | Q | C | -0.9672 | |
| 58 | K | C | -1.0882 | |
| 59 | G | C | 0.0000 | |
| 60 | I | C | 0.0000 | |
| 61 | V | C | 0.0000 | |
| 62 | I | C | 0.0000 | |
| 63 | D | C | 0.0000 | |
| 64 | S | C | 0.0000 | |
| 65 | E | C | -2.6005 | |
| 66 | G | C | -1.8362 | |
| 67 | S | C | -1.6871 | |
| 68 | K | C | -1.8683 | |
| 69 | S | C | 0.0000 | |
| 70 | E | C | -2.1841 | |
| 71 | Q | C | -1.9021 | |
| 72 | I | C | 0.0000 | |
| 73 | D | C | -1.0947 | |
| 74 | I | C | 0.0000 | |
| 75 | V | C | 0.0000 | |
| 76 | I | C | 0.0000 | |
| 77 | F | C | 0.0000 | |
| 78 | D | C | 0.0000 | |
| 79 | R | C | 0.0000 | |
| 80 | Q | C | 0.0000 | |
| 81 | Y | C | -0.0774 | |
| 82 | S | C | 0.0000 | |
| 83 | P | C | 0.0000 | |
| 84 | F | C | 0.0000 | |
| 85 | I | C | 0.0000 | |
| 86 | F | C | 0.0000 | |
| 87 | T | C | -0.7539 | |
| 88 | N | C | -1.5590 | |
| 89 | S | C | -0.9627 | |
| 90 | G | C | -0.8962 | |
| 91 | I | C | -0.6564 | |
| 92 | H | C | -0.7181 | |
| 93 | Y | C | -0.4997 | |
| 94 | I | C | 0.0000 | |
| 95 | P | C | 0.0000 | |
| 96 | A | C | 0.0000 | |
| 97 | E | C | 0.0000 | |
| 98 | S | C | 0.0000 | |
| 99 | V | C | 0.0000 | |
| 100 | Y | C | 0.0000 | |
| 101 | A | C | 0.0000 | |
| 102 | V | C | 0.0000 | |
| 103 | F | C | 0.0000 | |
| 104 | E | C | 0.0000 | |
| 105 | V | C | 0.0000 | |
| 106 | K | C | -0.6914 | |
| 107 | Q | C | -1.2660 | |
| 108 | S | C | -1.2331 | |
| 109 | L | C | 0.0000 | |
| 110 | N | C | -2.1680 | |
| 111 | K | C | -3.0218 | |
| 112 | D | C | -2.4652 | |
| 113 | N | C | -1.4465 | |
| 114 | L | C | 0.0000 | |
| 115 | A | C | -0.9542 | |
| 116 | Y | C | -0.2602 | |
| 117 | A | C | 0.0000 | |
| 118 | Q | C | 0.0000 | |
| 119 | Q | C | -1.3684 | |
| 120 | K | C | -1.3245 | |
| 121 | T | C | 0.0000 | |
| 122 | K | C | -1.8692 | |
| 123 | S | C | -1.5248 | |
| 124 | V | C | 0.0000 | |
| 125 | R | C | -1.1510 | |
| 126 | S | C | -1.1129 | |
| 127 | L | C | 0.0000 | |
| 128 | K | C | -2.5226 | |
| 129 | K | C | -1.8735 | |
| 130 | T | C | -0.9659 | |
| 131 | S | C | -0.5227 | |
| 132 | L | C | -0.1311 | |
| 133 | P | C | -0.1080 | |
| 134 | V | C | 0.0791 | |
| 135 | P | C | -0.1419 | |
| 136 | N | C | 0.0543 | |
| 137 | I | C | 0.6973 | |
| 138 | Y | C | 1.2713 | |
| 139 | G | C | 0.4091 | |
| 140 | T | C | 0.0486 | |
| 141 | S | C | 0.0000 | |
| 142 | T | C | -0.0496 | |
| 143 | A | C | -0.3775 | |
| 144 | K | C | -0.8779 | |
| 145 | E | C | -1.8890 | |
| 146 | P | C | -1.2429 | |
| 147 | H | C | -0.5187 | |
| 148 | F | C | 0.4676 | |
| 149 | I | C | 0.0000 | |
| 150 | H | C | 0.0000 | |
| 151 | G | C | 0.0000 | |
| 152 | G | C | 0.0000 | |
| 153 | L | C | 0.0000 | |
| 154 | L | C | 0.0000 | |
| 155 | S | C | 0.0000 | |
| 156 | L | C | 0.0000 | |
| 157 | S | C | -0.8909 | |
| 158 | S | C | -1.1455 | |
| 159 | D | C | -2.1307 | |
| 160 | W | C | -1.2618 | |
| 161 | T | C | -0.7215 | |
| 162 | P | C | -0.6735 | |
| 163 | P | C | 0.0000 | |
| 164 | F | C | -0.3768 | |
| 165 | G | C | -1.1934 | |
| 166 | Q | C | -2.2173 | |
| 167 | P | C | -2.0292 | |
| 168 | F | C | 0.0000 | |
| 169 | E | C | -2.9051 | |
| 170 | K | C | -3.3243 | |
| 171 | Q | C | -2.4941 | |
| 172 | M | C | 0.0000 | |
| 173 | Q | C | -2.4121 | |
| 174 | A | C | -1.5846 | |
| 175 | A | C | -1.9901 | |
| 176 | D | C | -2.8415 | |
| 177 | E | C | -2.7529 | |
| 178 | T | C | -1.8658 | |
| 179 | S | C | -1.6753 | |
| 180 | M | C | -1.5144 | |
| 181 | L | C | 0.0000 | |
| 182 | N | C | 0.0000 | |
| 183 | L | C | 0.0000 | |
| 184 | V | C | 0.0000 | |
| 185 | C | C | 0.0000 | |
| 186 | A | C | 0.0000 | |
| 187 | A | C | 0.0000 | |
| 188 | S | C | -1.0404 | |
| 189 | E | C | -1.0464 | |
| 190 | G | C | 0.0000 | |
| 191 | F | C | 0.0000 | |
| 192 | F | C | 0.0000 | |
| 193 | E | C | 0.0000 | |
| 194 | L | C | -1.3776 | |
| 195 | D | C | -2.3824 | |
| 196 | E | C | -3.0244 | |
| 197 | G | C | -2.6157 | |
| 198 | K | C | -3.1863 | |
| 199 | Q | C | -2.0414 | |
| 200 | I | C | 0.0131 | |
| 201 | Y | C | 0.9605 | |
| 202 | L | C | -0.3030 | |
| 203 | K | C | -2.0435 | |
| 204 | Q | C | -1.7778 | |
| 205 | K | C | -1.4493 | |
| 206 | P | C | 0.0000 | |
| 207 | V | C | 0.0000 | |
| 208 | T | C | 0.0000 | |
| 209 | M | C | 0.0000 | |
| 210 | F | C | 0.0000 | |
| 211 | F | C | 0.0000 | |
| 212 | F | C | 0.0000 | |
| 213 | R | C | -0.2861 | |
| 214 | L | C | 0.0000 | |
| 215 | V | C | 0.0000 | |
| 216 | S | C | -0.5233 | |
| 217 | V | C | 0.0000 | |
| 218 | L | C | 0.0000 | |
| 219 | Q | C | -0.7060 | |
| 220 | Q | C | -1.3302 | |
| 221 | K | C | -0.7589 | |
| 222 | G | C | -0.5073 | |
| 223 | T | C | -0.2496 | |
| 224 | A | C | 0.0000 | |
| 225 | P | C | 0.0000 | |
| 226 | M | C | -0.1817 | |
| 227 | M | C | 0.0000 | |
| 228 | D | C | -0.3179 | |
| 229 | I | C | 0.0000 | |
| 230 | M | C | -0.1869 | |
| 231 | A | C | -0.6450 | |
| 232 | Y | C | 0.0000 | |
| 233 | A | C | 0.0000 | |
| 234 | K | C | -1.6156 | |
| 235 | W | C | -0.8800 | |
| 236 | L | C | 0.0000 | |
| 237 | E | C | -1.6012 | |
| 238 | V | C | 0.4129 |
Automated mutations analysis - evolutionary conserved mutations
In the automated mutations mode, the server selects aggregation prone resides
and each selected residue is mutated based off an evolutionary approach.
The table below shows 2 best scored mutants for each mutated residue. Protein variants
are ordered according to the mutation effect they had on protein stability
(energetic effect) together with the difference in the average per-residue aggregation score
between the wild type and the mutant (in the table green values indicate a positive change,
grey are neutral, and orange/red mean destabilizing or more aggregation prone mutants).
Summary for all the mutants can be found in this
CSV file .
Mutant |
Energetic effect |
Score comparison |
|||
| VT32C | -0.4581 | -0.0078 | View | CSV | PDB |
| VT32B | -0.3383 | -0.0074 | View | CSV | PDB |
| VM32C | -0.5553 | -0.0046 | View | CSV | PDB |
| VM32A | -0.3932 | -0.0047 | View | CSV | PDB |
| VM32B | -0.5861 | -0.0029 | View | CSV | PDB |
| VA32A | 0.1294 | -0.0071 | View | CSV | PDB |
| YH138C | 0.5684 | -0.0144 | View | CSV | PDB |
| YH138A | 0.607 | -0.015 | View | CSV | PDB |
| YH138B | 0.7942 | -0.0144 | View | CSV | PDB |
| YC138B | 0.5708 | -0.0091 | View | CSV | PDB |
| YC138A | 0.985 | -0.0069 | View | CSV | PDB |
| YC138C | 0.9539 | -0.0061 | View | CSV | PDB |