| Chain sequence(s) |
A: MAAVISAVKARQIFDSRGNPTVEADVTLSNGAMYRAMVPSGASTGIYEALELRDGGKDFMGKGVLKAVSNVNTIIAPAVVGMDPTDQTGIDELMVQTLDGTQNEWGWCKQKLGANAILAVSLAVCKAGAGAKGIPLYQHIANLAHNPKLVLPVPSFNIINGGSHAGNKLAMQEFMILPTGASSFKEAMKMGTEVYHNLKSIIKKKYGQDATNVGDEGGFAPNIQDNREGLELVKDAIAKAGYTGKVTVGMDVAASEFYSDATKTYDLNFKTENNDGSAKISGDEIIKLYQSFCDEYPMVSIEDPFDQDDWEHYAKFTALIGEKVQIVGDDLLVTNPKRVAKAIAEKSANALLLKVNQIGSVTESIEAVRMAKKAGWGVMTSHRSGETEDSFIADLAVGLATGQIKTGAPCRSERLAKYNQLLRIEEELGDAAVYAGSSFRAPVEPY
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 |
| 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 (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:09:06)
[INFO] Main: Simulation completed successfully. (00:09:11)
|
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 | 0.9662 | |
| 2 | A | A | 0.1329 | |
| 3 | A | A | -0.4563 | |
| 4 | V | A | -0.0500 | |
| 5 | I | A | 0.0000 | |
| 6 | S | A | -0.1874 | |
| 7 | A | A | -0.1240 | |
| 8 | V | A | 0.0000 | |
| 9 | K | A | -1.4090 | |
| 10 | A | A | 0.0000 | |
| 11 | R | A | -0.7938 | |
| 12 | Q | A | 0.0511 | |
| 13 | I | A | 0.7476 | |
| 14 | F | A | 1.4515 | |
| 15 | D | A | 0.0000 | |
| 16 | S | A | -0.6663 | |
| 17 | R | A | -0.5799 | |
| 18 | G | A | -0.0483 | |
| 19 | N | A | 0.1935 | |
| 20 | P | A | 0.0000 | |
| 21 | T | A | 0.0000 | |
| 22 | V | A | 0.0000 | |
| 23 | E | A | 0.0000 | |
| 24 | A | A | 0.0000 | |
| 25 | D | A | 0.0000 | |
| 26 | V | A | 0.0000 | |
| 27 | T | A | -0.1803 | |
| 28 | L | A | 0.0000 | |
| 29 | S | A | -0.6740 | |
| 30 | N | A | -1.3662 | |
| 31 | G | A | -1.0119 | |
| 32 | A | A | -0.3391 | |
| 33 | M | A | 0.1441 | |
| 34 | Y | A | 0.0002 | |
| 35 | R | A | -0.7800 | |
| 36 | A | A | 0.0000 | |
| 37 | M | A | -0.3175 | |
| 38 | V | A | 0.0000 | |
| 39 | P | A | 0.0000 | |
| 40 | S | A | 0.0000 | |
| 41 | G | A | -0.1328 | |
| 42 | A | A | -0.1782 | |
| 43 | S | A | -0.0366 | |
| 44 | T | A | 0.3197 | |
| 45 | G | A | 0.0000 | |
| 46 | I | A | 2.0192 | |
| 47 | Y | A | 0.8037 | |
| 48 | E | A | 0.4955 | |
| 49 | A | A | 0.0000 | |
| 50 | L | A | -0.1831 | |
| 51 | E | A | -0.5402 | |
| 52 | L | A | -0.9481 | |
| 53 | R | A | -1.0718 | |
| 54 | D | A | -1.3424 | |
| 55 | G | A | -1.5535 | |
| 56 | G | A | -1.8175 | |
| 57 | K | A | -2.3883 | |
| 58 | D | A | -2.1272 | |
| 59 | F | A | -0.1916 | |
| 60 | M | A | -0.1019 | |
| 61 | G | A | -1.2404 | |
| 62 | K | A | -0.9965 | |
| 63 | G | A | 0.0000 | |
| 64 | V | A | 0.0000 | |
| 65 | L | A | 0.1093 | |
| 66 | K | A | -1.1858 | |
| 67 | A | A | 0.0000 | |
| 68 | V | A | 0.0000 | |
| 69 | S | A | -0.6690 | |
| 70 | N | A | -0.5487 | |
| 71 | V | A | 0.0000 | |
| 72 | N | A | -1.0970 | |
| 73 | T | A | -0.2312 | |
| 74 | I | A | 0.5098 | |
| 75 | I | A | 0.0000 | |
| 76 | A | A | 0.0000 | |
| 77 | P | A | 0.1280 | |
| 78 | A | A | 0.4583 | |
| 79 | V | A | 0.0000 | |
| 80 | V | A | 0.7984 | |
| 81 | G | A | -0.0057 | |
| 82 | M | A | -0.2295 | |
| 83 | D | A | -1.0111 | |
| 84 | P | A | 0.0000 | |
| 85 | T | A | -1.0738 | |
| 86 | D | A | -1.4012 | |
| 87 | Q | A | 0.0000 | |
| 88 | T | A | -0.9457 | |
| 89 | G | A | -1.1442 | |
| 90 | I | A | 0.0000 | |
| 91 | D | A | 0.0000 | |
| 92 | E | A | -2.0108 | |
| 93 | L | A | -0.8252 | |
| 94 | M | A | 0.0000 | |
| 95 | V | A | 0.0000 | |
| 96 | Q | A | -1.4035 | |
| 97 | T | A | -0.6742 | |
| 98 | L | A | -0.3595 | |
| 99 | D | A | 0.0000 | |
| 100 | G | A | -1.3779 | |
| 101 | T | A | -1.6822 | |
| 102 | Q | A | -2.4535 | |
| 103 | N | A | -2.4531 | |
| 104 | E | A | -2.6239 | |
| 105 | W | A | -1.6324 | |
| 106 | G | A | -1.4466 | |
| 107 | W | A | -1.0531 | |
| 108 | C | A | -1.2877 | |
| 109 | K | A | 0.0000 | |
| 110 | Q | A | -2.1564 | |
| 111 | K | A | -2.3152 | |
| 112 | L | A | 0.0000 | |
| 113 | G | A | 0.0000 | |
| 114 | A | A | 0.0000 | |
| 115 | N | A | 0.0000 | |
| 116 | A | A | 0.0000 | |
| 117 | I | A | 0.0000 | |
| 118 | L | A | 0.0000 | |
| 119 | A | A | 0.0000 | |
| 120 | V | A | 0.0000 | |
| 121 | S | A | 0.0000 | |
| 122 | L | A | 0.0000 | |
| 123 | A | A | 0.0000 | |
| 124 | V | A | 0.0000 | |
| 125 | C | A | 0.0000 | |
| 126 | K | A | -0.2363 | |
| 127 | A | A | 0.0000 | |
| 128 | G | A | 0.0000 | |
| 129 | A | A | 0.0000 | |
| 130 | G | A | -0.6240 | |
| 131 | A | A | -1.0414 | |
| 132 | K | A | -1.4494 | |
| 133 | G | A | -0.9193 | |
| 134 | I | A | -0.2817 | |
| 135 | P | A | -0.4709 | |
| 136 | L | A | -0.3021 | |
| 137 | Y | A | 0.0000 | |
| 138 | Q | A | -0.6732 | |
| 139 | H | A | 0.0000 | |
| 140 | I | A | 0.0000 | |
| 141 | A | A | 0.0000 | |
| 142 | N | A | -1.6191 | |
| 143 | L | A | -0.8252 | |
| 144 | A | A | 0.0000 | |
| 145 | H | A | -1.4834 | |
| 146 | N | A | 0.0000 | |
| 147 | P | A | -1.2955 | |
| 148 | K | A | -1.2140 | |
| 149 | L | A | -0.0643 | |
| 150 | V | A | 0.0000 | |
| 151 | L | A | 0.0000 | |
| 152 | P | A | 0.0000 | |
| 153 | V | A | 0.0000 | |
| 154 | P | A | 0.0000 | |
| 155 | S | A | 0.0000 | |
| 156 | F | A | 0.0000 | |
| 157 | N | A | 0.0000 | |
| 158 | I | A | 0.0000 | |
| 159 | I | A | 0.0000 | |
| 160 | N | A | 0.0000 | |
| 161 | G | A | 0.0000 | |
| 162 | G | A | 0.0000 | |
| 163 | S | A | -0.6707 | |
| 164 | H | A | 0.0000 | |
| 165 | A | A | -0.7971 | |
| 166 | G | A | -1.0575 | |
| 167 | N | A | 0.0000 | |
| 168 | K | A | -2.4005 | |
| 169 | L | A | 0.0000 | |
| 170 | A | A | 0.0000 | |
| 171 | M | A | 0.0000 | |
| 172 | Q | A | 0.0000 | |
| 173 | E | A | 0.0000 | |
| 174 | F | A | 0.0000 | |
| 175 | M | A | 0.0000 | |
| 176 | I | A | 0.0000 | |
| 177 | L | A | 0.0000 | |
| 178 | P | A | 0.0000 | |
| 179 | T | A | 0.0000 | |
| 180 | G | A | -0.9220 | |
| 181 | A | A | 0.0000 | |
| 182 | S | A | -0.6645 | |
| 183 | S | A | -0.8519 | |
| 184 | F | A | 0.0000 | |
| 185 | K | A | -2.8179 | |
| 186 | E | A | -2.0060 | |
| 187 | A | A | 0.0000 | |
| 188 | M | A | 0.0000 | |
| 189 | K | A | -2.2735 | |
| 190 | M | A | 0.0000 | |
| 191 | G | A | 0.0000 | |
| 192 | T | A | -1.1746 | |
| 193 | E | A | -1.8896 | |
| 194 | V | A | 0.0000 | |
| 195 | Y | A | 0.0000 | |
| 196 | H | A | -1.5011 | |
| 197 | N | A | -1.8807 | |
| 198 | L | A | 0.0000 | |
| 199 | K | A | -2.2653 | |
| 200 | S | A | -2.1116 | |
| 201 | I | A | 0.0000 | |
| 202 | I | A | 0.0000 | |
| 203 | K | A | -3.8570 | |
| 204 | K | A | -3.3866 | |
| 205 | K | A | -2.6967 | |
| 206 | Y | A | -2.1483 | |
| 207 | G | A | -2.6196 | |
| 208 | Q | A | -3.3858 | |
| 209 | D | A | -3.0747 | |
| 210 | A | A | 0.0000 | |
| 211 | T | A | -2.1743 | |
| 212 | N | A | -1.9428 | |
| 213 | V | A | -0.4737 | |
| 214 | G | A | -0.4508 | |
| 215 | D | A | -0.8149 | |
| 216 | E | A | 0.0000 | |
| 217 | G | A | 0.0000 | |
| 218 | G | A | 0.0000 | |
| 219 | F | A | 0.0000 | |
| 220 | A | A | -1.0224 | |
| 221 | P | A | 0.0000 | |
| 222 | N | A | -2.1956 | |
| 223 | I | A | 0.0000 | |
| 224 | Q | A | -2.6923 | |
| 225 | D | A | -2.7849 | |
| 226 | N | A | 0.0000 | |
| 227 | R | A | -2.0075 | |
| 228 | E | A | -2.2793 | |
| 229 | G | A | 0.0000 | |
| 230 | L | A | 0.0000 | |
| 231 | E | A | -2.7875 | |
| 232 | L | A | 0.0000 | |
| 233 | V | A | 0.0000 | |
| 234 | K | A | -2.2712 | |
| 235 | D | A | -2.6930 | |
| 236 | A | A | 0.0000 | |
| 237 | I | A | 0.0000 | |
| 238 | A | A | -1.6717 | |
| 239 | K | A | -2.4486 | |
| 240 | A | A | -1.6613 | |
| 241 | G | A | -1.4127 | |
| 242 | Y | A | -1.1432 | |
| 243 | T | A | -1.2709 | |
| 244 | G | A | -1.1494 | |
| 245 | K | A | -1.6045 | |
| 246 | V | A | 0.0000 | |
| 247 | T | A | -0.5038 | |
| 248 | V | A | 0.0000 | |
| 249 | G | A | 0.0000 | |
| 250 | M | A | 0.0000 | |
| 251 | D | A | 0.0000 | |
| 252 | V | A | 0.0000 | |
| 253 | A | A | -0.3127 | |
| 254 | A | A | 0.0000 | |
| 255 | S | A | -0.7969 | |
| 256 | E | A | -0.7259 | |
| 257 | F | A | 0.0000 | |
| 258 | Y | A | -0.8702 | |
| 259 | S | A | -1.5690 | |
| 260 | D | A | -2.5353 | |
| 261 | A | A | -1.3202 | |
| 262 | T | A | -1.4719 | |
| 263 | K | A | -2.4464 | |
| 264 | T | A | -1.5341 | |
| 265 | Y | A | 0.0000 | |
| 266 | D | A | 0.0000 | |
| 267 | L | A | -0.4321 | |
| 268 | N | A | -1.2908 | |
| 269 | F | A | -0.8151 | |
| 270 | K | A | -1.4756 | |
| 271 | T | A | -2.0984 | |
| 272 | E | A | -2.8634 | |
| 273 | N | A | -2.8472 | |
| 274 | N | A | -2.5653 | |
| 275 | D | A | -2.7392 | |
| 276 | G | A | -1.4909 | |
| 277 | S | A | -1.0691 | |
| 278 | A | A | -0.6477 | |
| 279 | K | A | -1.1627 | |
| 280 | I | A | -0.8005 | |
| 281 | S | A | -1.2085 | |
| 282 | G | A | 0.0000 | |
| 283 | D | A | -1.9330 | |
| 284 | E | A | -2.3383 | |
| 285 | I | A | 0.0000 | |
| 286 | I | A | 0.0000 | |
| 287 | K | A | -2.3650 | |
| 288 | L | A | -1.1132 | |
| 289 | Y | A | 0.0000 | |
| 290 | Q | A | -1.5908 | |
| 291 | S | A | -1.5466 | |
| 292 | F | A | 0.0000 | |
| 293 | C | A | -1.5802 | |
| 294 | D | A | -2.4295 | |
| 295 | E | A | -2.2850 | |
| 296 | Y | A | 0.0000 | |
| 297 | P | A | -0.8753 | |
| 298 | M | A | 0.0000 | |
| 299 | V | A | -0.1908 | |
| 300 | S | A | 0.0000 | |
| 301 | I | A | 0.0000 | |
| 302 | E | A | 0.0000 | |
| 303 | D | A | 0.0000 | |
| 304 | P | A | 0.0000 | |
| 305 | F | A | 0.0000 | |
| 306 | D | A | 0.0000 | |
| 307 | Q | A | -0.5347 | |
| 308 | D | A | -1.6656 | |
| 309 | D | A | -1.6855 | |
| 310 | W | A | -1.9288 | |
| 311 | E | A | -2.6883 | |
| 312 | H | A | -1.6821 | |
| 313 | Y | A | 0.0000 | |
| 314 | A | A | -1.7985 | |
| 315 | K | A | -1.4453 | |
| 316 | F | A | 0.0000 | |
| 317 | T | A | -0.8066 | |
| 318 | A | A | -0.3730 | |
| 319 | L | A | 0.3089 | |
| 320 | I | A | 0.0000 | |
| 321 | G | A | -1.4512 | |
| 322 | E | A | -2.4912 | |
| 323 | K | A | -2.3938 | |
| 324 | V | A | 0.0000 | |
| 325 | Q | A | 0.0000 | |
| 326 | I | A | 0.0000 | |
| 327 | V | A | 0.0000 | |
| 328 | G | A | 0.0000 | |
| 329 | D | A | -0.3326 | |
| 330 | D | A | -0.1724 | |
| 331 | L | A | 0.0000 | |
| 332 | L | A | 0.0000 | |
| 333 | V | A | 0.0000 | |
| 334 | T | A | 0.0000 | |
| 335 | N | A | 0.0000 | |
| 336 | P | A | -1.2136 | |
| 337 | K | A | -1.8887 | |
| 338 | R | A | 0.0000 | |
| 339 | V | A | 0.0000 | |
| 340 | A | A | -1.0322 | |
| 341 | K | A | -1.5370 | |
| 342 | A | A | 0.0000 | |
| 343 | I | A | -1.0730 | |
| 344 | A | A | -1.2615 | |
| 345 | E | A | -2.7007 | |
| 346 | K | A | -2.7362 | |
| 347 | S | A | 0.0000 | |
| 348 | A | A | 0.0000 | |
| 349 | N | A | -0.7863 | |
| 350 | A | A | 0.0000 | |
| 351 | L | A | 0.0000 | |
| 352 | L | A | 0.0000 | |
| 353 | L | A | 0.0000 | |
| 354 | K | A | 0.0000 | |
| 355 | V | A | 0.0000 | |
| 356 | N | A | 0.0000 | |
| 357 | Q | A | 0.0000 | |
| 358 | I | A | 0.0000 | |
| 359 | G | A | 0.0000 | |
| 360 | S | A | 0.0000 | |
| 361 | V | A | 0.0000 | |
| 362 | T | A | -0.7717 | |
| 363 | E | A | -1.0142 | |
| 364 | S | A | 0.0000 | |
| 365 | I | A | 0.0000 | |
| 366 | E | A | -1.5811 | |
| 367 | A | A | 0.0000 | |
| 368 | V | A | 0.0000 | |
| 369 | R | A | -1.3903 | |
| 370 | M | A | -0.8792 | |
| 371 | A | A | 0.0000 | |
| 372 | K | A | 0.0000 | |
| 373 | K | A | -2.1271 | |
| 374 | A | A | -1.1439 | |
| 375 | G | A | -1.3224 | |
| 376 | W | A | 0.0000 | |
| 377 | G | A | 0.0000 | |
| 378 | V | A | 0.0000 | |
| 379 | M | A | 0.0000 | |
| 380 | T | A | 0.0000 | |
| 381 | S | A | 0.0000 | |
| 382 | H | A | 0.0000 | |
| 383 | R | A | 0.0000 | |
| 384 | S | A | 0.0000 | |
| 385 | G | A | 0.0000 | |
| 386 | E | A | 0.0000 | |
| 387 | T | A | 0.0000 | |
| 388 | E | A | -1.9844 | |
| 389 | D | A | -1.2327 | |
| 390 | S | A | -0.6962 | |
| 391 | F | A | 0.0000 | |
| 392 | I | A | 0.0000 | |
| 393 | A | A | 0.0000 | |
| 394 | D | A | 0.0000 | |
| 395 | L | A | 0.0000 | |
| 396 | A | A | 0.0000 | |
| 397 | V | A | 0.0000 | |
| 398 | G | A | 0.0000 | |
| 399 | L | A | 0.0000 | |
| 400 | A | A | 0.0000 | |
| 401 | T | A | 0.0000 | |
| 402 | G | A | 0.0000 | |
| 403 | Q | A | 0.0000 | |
| 404 | I | A | 0.0000 | |
| 405 | K | A | 0.0000 | |
| 406 | T | A | 0.0000 | |
| 407 | G | A | 0.0000 | |
| 408 | A | A | 0.0000 | |
| 409 | P | A | -0.4250 | |
| 410 | C | A | -0.2151 | |
| 411 | R | A | -0.9717 | |
| 412 | S | A | -1.0530 | |
| 413 | E | A | -1.1774 | |
| 414 | R | A | 0.0000 | |
| 415 | L | A | -0.4870 | |
| 416 | A | A | -0.8707 | |
| 417 | K | A | 0.0000 | |
| 418 | Y | A | 0.0000 | |
| 419 | N | A | -1.1800 | |
| 420 | Q | A | -1.2531 | |
| 421 | L | A | 0.0000 | |
| 422 | L | A | -2.1292 | |
| 423 | R | A | -3.3570 | |
| 424 | I | A | 0.0000 | |
| 425 | E | A | -2.6419 | |
| 426 | E | A | -3.9395 | |
| 427 | E | A | -3.4975 | |
| 428 | L | A | -2.0192 | |
| 429 | G | A | -2.4941 | |
| 430 | D | A | -2.2643 | |
| 431 | A | A | -1.0402 | |
| 432 | A | A | -0.7114 | |
| 433 | V | A | 0.6055 | |
| 434 | Y | A | 0.3047 | |
| 435 | A | A | 0.0000 | |
| 436 | G | A | 0.0000 | |
| 437 | S | A | -0.5191 | |
| 438 | S | A | -0.3206 | |
| 439 | F | A | 0.0000 | |
| 440 | R | A | -0.5042 | |
| 441 | A | A | -0.6525 | |
| 442 | P | A | -0.4427 | |
| 443 | V | A | -0.9760 | |
| 444 | E | A | -2.2089 | |
| 445 | P | A | -1.6483 | |
| 446 | Y | A | -1.0633 |
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