| Chain sequence(s) |
A: VYTHDTGLDYITYSDYELDPANPLAGGAAWIEGAFVPPSEARISIFDQGFYTSDATYTTFHVWNGNAFRLGDHIERLFSNAESIRLIPPLTQDEVKEIALELVAKTELREAMVTVTITRGYSSTPFERDITKHRPQVYMSAPYQWIVPFDRIRDGVHLMVAQSVRRTPRSSIDPQVKNFQWGDLIRAIQETHDRGFELPLLLDCDNLLAEGPGFNVVVIKDGVVRSPGRAALPGITRKTVLEIAESLGHEAILADITPAELYDADEVLGCSTGGGVWPFVSVDGNSISDGVPGPVTQSIIRRYWELNVEPSSLLTPVQY
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | No |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | NS90A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 0.489137 kcal/mol |
| 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 A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimization (00:00:01)
[INFO] FoldX: Building mutant model (00:02:29)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:02:46)
[INFO] Main: Simulation completed successfully. (00:02:48)
|
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 |
|---|---|---|---|---|
| 11 | V | A | 1.6251 | |
| 12 | Y | A | 0.3608 | |
| 13 | T | A | -0.3768 | |
| 14 | H | A | -1.0406 | |
| 15 | D | A | -2.3033 | |
| 16 | T | A | -1.9507 | |
| 17 | G | A | -1.9325 | |
| 18 | L | A | -1.7999 | |
| 19 | D | A | -2.0414 | |
| 20 | Y | A | -1.1543 | |
| 21 | I | A | 0.0000 | |
| 22 | T | A | -0.9410 | |
| 23 | Y | A | -0.9470 | |
| 24 | S | A | -1.3633 | |
| 25 | D | A | -2.1961 | |
| 26 | Y | A | -1.7516 | |
| 27 | E | A | -2.3288 | |
| 28 | L | A | -1.3596 | |
| 29 | D | A | -1.9448 | |
| 30 | P | A | -1.1898 | |
| 31 | A | A | -0.6852 | |
| 32 | N | A | -1.0373 | |
| 33 | P | A | -0.8062 | |
| 34 | L | A | 0.0000 | |
| 35 | A | A | -1.0326 | |
| 36 | G | A | -0.5073 | |
| 37 | G | A | -0.4276 | |
| 38 | A | A | 0.0000 | |
| 39 | A | A | 0.0000 | |
| 40 | W | A | -0.4362 | |
| 41 | I | A | -1.0235 | |
| 42 | E | A | -1.7630 | |
| 43 | G | A | -1.0961 | |
| 44 | A | A | -0.4169 | |
| 45 | F | A | -0.2580 | |
| 46 | V | A | 0.0000 | |
| 47 | P | A | -1.1569 | |
| 48 | P | A | -1.3071 | |
| 49 | S | A | -1.5765 | |
| 50 | E | A | -2.4150 | |
| 51 | A | A | -1.6191 | |
| 52 | R | A | -1.7711 | |
| 53 | I | A | 0.6337 | |
| 54 | S | A | 2.1723 | |
| 55 | I | A | 3.6796 | |
| 56 | F | A | 3.8413 | |
| 57 | D | A | 0.0000 | |
| 58 | Q | A | 0.0000 | |
| 59 | G | A | 0.0000 | |
| 60 | F | A | 3.4351 | |
| 61 | Y | A | 2.5244 | |
| 62 | T | A | 1.0421 | |
| 63 | S | A | 0.8894 | |
| 64 | D | A | 0.3255 | |
| 65 | A | A | 0.0000 | |
| 66 | T | A | 0.0000 | |
| 67 | Y | A | 0.0395 | |
| 68 | T | A | 0.0000 | |
| 69 | T | A | -0.0347 | |
| 70 | F | A | 0.0000 | |
| 71 | H | A | 0.0000 | |
| 72 | V | A | 0.0000 | |
| 73 | W | A | 0.0000 | |
| 74 | N | A | -0.9643 | |
| 75 | G | A | 0.0000 | |
| 76 | N | A | -0.6065 | |
| 77 | A | A | 0.0000 | |
| 78 | F | A | 0.0000 | |
| 79 | R | A | -0.3582 | |
| 80 | L | A | 0.0000 | |
| 81 | G | A | -1.5383 | |
| 82 | D | A | -1.3585 | |
| 83 | H | A | 0.0000 | |
| 84 | I | A | 0.0000 | |
| 85 | E | A | -2.1380 | |
| 86 | R | A | -1.7973 | |
| 87 | L | A | 0.0000 | |
| 88 | F | A | 0.0000 | |
| 89 | S | A | -1.0870 | |
| 90 | S | A | 0.0000 | mutated: NS90A |
| 91 | A | A | 0.0000 | |
| 92 | E | A | -1.1841 | |
| 93 | S | A | -0.8296 | |
| 94 | I | A | -0.5048 | |
| 95 | R | A | -1.5256 | |
| 96 | L | A | 0.0000 | |
| 97 | I | A | 0.9425 | |
| 98 | P | A | 0.0000 | |
| 99 | P | A | -0.2273 | |
| 100 | L | A | -0.4346 | |
| 101 | T | A | -1.1200 | |
| 102 | Q | A | -2.5893 | |
| 103 | D | A | -3.2484 | |
| 104 | E | A | -2.7292 | |
| 105 | V | A | 0.0000 | |
| 106 | K | A | -2.5354 | |
| 107 | E | A | -3.2302 | |
| 108 | I | A | -1.6644 | |
| 109 | A | A | 0.0000 | |
| 110 | L | A | 0.0000 | |
| 111 | E | A | -1.5870 | |
| 112 | L | A | 0.0000 | |
| 113 | V | A | 0.0000 | |
| 114 | A | A | -0.7047 | |
| 115 | K | A | -1.0381 | |
| 116 | T | A | 0.0000 | |
| 117 | E | A | -1.1047 | |
| 118 | L | A | 0.0000 | |
| 119 | R | A | -0.9715 | |
| 120 | E | A | 0.0000 | |
| 121 | A | A | 0.0000 | |
| 122 | M | A | -0.2462 | |
| 123 | V | A | 0.0000 | |
| 124 | T | A | -0.0015 | |
| 125 | V | A | 0.0000 | |
| 126 | T | A | 0.0886 | |
| 127 | I | A | 0.0000 | |
| 128 | T | A | 0.0000 | |
| 129 | R | A | -0.4096 | |
| 130 | G | A | 0.0000 | |
| 131 | Y | A | 1.3443 | |
| 132 | S | A | -0.5703 | |
| 133 | S | A | -0.3931 | |
| 134 | T | A | 0.1491 | |
| 135 | P | A | 0.3183 | |
| 136 | F | A | 0.9431 | |
| 137 | E | A | -0.7595 | |
| 138 | R | A | -1.5652 | |
| 139 | D | A | -0.7623 | |
| 140 | I | A | 0.3903 | |
| 141 | T | A | -0.6534 | |
| 142 | K | A | -2.0740 | |
| 143 | H | A | -1.4923 | |
| 144 | R | A | -1.9090 | |
| 145 | P | A | -0.8203 | |
| 146 | Q | A | -0.7579 | |
| 147 | V | A | 0.0000 | |
| 148 | Y | A | 0.0000 | |
| 149 | M | A | 0.0000 | |
| 150 | S | A | -0.0409 | |
| 151 | A | A | -0.2639 | |
| 153 | P | A | 0.0194 | |
| 154 | Y | A | 0.0000 | |
| 155 | Q | A | -0.7682 | |
| 156 | W | A | -0.1121 | |
| 157 | I | A | 0.3853 | |
| 158 | V | A | 0.0000 | |
| 159 | P | A | -1.1780 | |
| 160 | F | A | -1.8133 | |
| 161 | D | A | -2.9730 | |
| 162 | R | A | -2.4535 | |
| 163 | I | A | 0.0000 | |
| 164 | R | A | -3.1172 | |
| 165 | D | A | -2.1942 | |
| 166 | G | A | 0.0000 | |
| 167 | V | A | 0.0000 | |
| 168 | H | A | -0.8916 | |
| 169 | L | A | 0.0000 | |
| 170 | M | A | 0.0000 | |
| 171 | V | A | 0.0000 | |
| 172 | A | A | 0.0000 | |
| 173 | Q | A | -1.3590 | |
| 174 | S | A | -1.0486 | |
| 175 | V | A | -0.8407 | |
| 176 | R | A | -1.1915 | |
| 177 | R | A | 0.0000 | |
| 178 | T | A | -0.4343 | |
| 179 | P | A | -0.9197 | |
| 180 | R | A | -1.8071 | |
| 181 | S | A | -0.8414 | |
| 182 | S | A | -0.4114 | |
| 183 | I | A | 0.1452 | |
| 184 | D | A | -0.7845 | |
| 185 | P | A | 0.0000 | |
| 186 | Q | A | -0.9862 | |
| 187 | V | A | -0.2390 | |
| 188 | K | A | -0.4856 | |
| 189 | N | A | 0.1512 | |
| 190 | F | A | 0.9310 | |
| 191 | Q | A | 0.1502 | |
| 192 | W | A | 0.1917 | |
| 193 | G | A | -0.3292 | |
| 194 | D | A | -0.5402 | |
| 195 | L | A | 0.0000 | |
| 196 | I | A | 0.3880 | |
| 197 | R | A | -1.1606 | |
| 198 | A | A | 0.0000 | |
| 199 | I | A | -0.4564 | |
| 200 | Q | A | -1.7466 | |
| 201 | E | A | 0.0000 | |
| 202 | T | A | 0.0000 | |
| 203 | H | A | -2.8754 | |
| 204 | D | A | -3.3686 | |
| 205 | R | A | -3.3216 | |
| 206 | G | A | -2.3045 | |
| 207 | F | A | -1.5123 | |
| 208 | E | A | -1.1245 | |
| 209 | L | A | -0.2288 | |
| 210 | P | A | 0.0000 | |
| 211 | L | A | 0.0000 | |
| 212 | L | A | 0.0000 | |
| 213 | L | A | 0.0000 | |
| 214 | D | A | 0.0000 | |
| 215 | C | A | -0.7786 | |
| 216 | D | A | -1.9479 | |
| 217 | N | A | -1.7868 | |
| 218 | L | A | -1.2807 | |
| 219 | L | A | 0.0000 | |
| 220 | A | A | 0.0000 | |
| 221 | E | A | 0.0000 | |
| 222 | G | A | 0.0000 | |
| 223 | P | A | 0.1990 | |
| 224 | G | A | -0.0668 | |
| 225 | F | A | 0.0000 | |
| 226 | N | A | 0.0000 | |
| 227 | V | A | 0.0000 | |
| 228 | V | A | 0.0000 | |
| 229 | V | A | 0.0000 | |
| 230 | I | A | 0.0000 | |
| 231 | K | A | -2.0650 | |
| 232 | D | A | -2.4010 | |
| 233 | G | A | -1.6448 | |
| 234 | V | A | -1.2646 | |
| 235 | V | A | 0.0000 | |
| 236 | R | A | -0.1000 | |
| 237 | S | A | 0.0000 | |
| 238 | P | A | 0.0000 | |
| 239 | G | A | -1.1885 | |
| 240 | R | A | -2.3755 | |
| 241 | A | A | 0.0000 | |
| 242 | A | A | 0.0000 | |
| 243 | L | A | -0.4490 | |
| 244 | P | A | -0.7290 | |
| 245 | G | A | -0.4567 | |
| 246 | I | A | -0.4632 | |
| 247 | T | A | 0.0000 | |
| 248 | R | A | -0.6007 | |
| 249 | K | A | -0.9202 | |
| 250 | T | A | 0.0000 | |
| 251 | V | A | 0.0000 | |
| 252 | L | A | 0.0000 | |
| 253 | E | A | -1.6585 | |
| 254 | I | A | 0.0000 | |
| 255 | A | A | 0.0000 | |
| 256 | E | A | -2.5469 | |
| 257 | S | A | -1.4623 | |
| 258 | L | A | -0.8022 | |
| 259 | G | A | -1.3392 | |
| 260 | H | A | -1.9209 | |
| 261 | E | A | -2.4153 | |
| 262 | A | A | -0.9924 | |
| 263 | I | A | 0.4454 | |
| 264 | L | A | 0.3888 | |
| 265 | A | A | -0.3998 | |
| 266 | D | A | -1.4558 | |
| 267 | I | A | 0.0000 | |
| 268 | T | A | -0.7254 | |
| 269 | P | A | -0.4686 | |
| 270 | A | A | -0.5188 | |
| 271 | E | A | -1.2436 | |
| 272 | L | A | 0.0000 | |
| 273 | Y | A | -1.0756 | |
| 274 | D | A | -2.1821 | |
| 275 | A | A | 0.0000 | |
| 276 | D | A | -2.0700 | |
| 277 | E | A | 0.0000 | |
| 278 | V | A | 0.0000 | |
| 279 | L | A | 0.0000 | |
| 280 | G | A | 0.0000 | |
| 281 | C | A | 0.0000 | |
| 282 | S | A | 0.0049 | |
| 283 | T | A | -0.1076 | |
| 284 | G | A | -0.1542 | |
| 285 | G | A | 0.0000 | |
| 286 | G | A | 0.0000 | |
| 287 | V | A | 0.0000 | |
| 288 | W | A | 0.0000 | |
| 289 | P | A | 0.0000 | |
| 290 | F | A | 0.0000 | |
| 291 | V | A | -0.1371 | |
| 292 | S | A | 0.0000 | |
| 293 | V | A | 0.0000 | |
| 294 | D | A | -1.1685 | |
| 295 | G | A | -1.1830 | |
| 296 | N | A | -1.4984 | |
| 297 | S | A | -1.2789 | |
| 298 | I | A | 0.0000 | |
| 299 | S | A | -1.4241 | |
| 300 | D | A | -1.5365 | |
| 301 | G | A | -0.5057 | |
| 302 | V | A | 0.5365 | |
| 303 | P | A | -0.3837 | |
| 304 | G | A | -0.4297 | |
| 305 | P | A | -0.4317 | |
| 306 | V | A | -0.4102 | |
| 307 | T | A | 0.0000 | |
| 308 | Q | A | -1.6466 | |
| 309 | S | A | -1.0369 | |
| 310 | I | A | 0.0000 | |
| 311 | I | A | 0.0000 | |
| 312 | R | A | -1.9285 | |
| 313 | R | A | -1.7296 | |
| 314 | Y | A | 0.0000 | |
| 315 | W | A | 0.0000 | |
| 316 | E | A | -1.6790 | |
| 317 | L | A | -0.9843 | |
| 318 | N | A | 0.0000 | |
| 319 | V | A | -0.4239 | |
| 320 | E | A | -1.8008 | |
| 321 | P | A | -1.0322 | |
| 322 | S | A | -0.5116 | |
| 323 | S | A | -0.3791 | |
| 324 | L | A | -0.1373 | |
| 325 | L | A | -0.2628 | |
| 326 | T | A | -0.4451 | |
| 327 | P | A | -0.5916 | |
| 328 | V | A | 0.0000 | |
| 329 | Q | A | -1.2545 | |
| 330 | Y | A | 0.2546 |
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