| Chain sequence(s) |
A: MNQSVSSLAEKDIQYQLHPYTNARLHQELGPLIIERGQGIYVYDDQGKGYIEAMAGLGSVALGFSNQRLIKAAEQQFNTLPFYHLFNHKSHRPSIELAEKLIEMAPVPMSKVFFTNSGSEANDTVVKFVWYLNNALGKPAKKKFISRVNGYHGVTVASASLTGLPGNQRGFDLPLPGFLHVGCPHHYRFALAGESEEHFADRLAVELEQKILAEGPETIAAFIGEPLMGAGGVIVPPRTYWEKIQKVCRKYDILVIADEVICGFGRTGQMFGSQTFGIQPDIMVLSKQLSSSYQPIAAILINAPVFEGIADQSQALGALGHGFTGSGHPVATAVALENLKIIEEESLVEHAAQMGQLLRSGLQHFIDHPLVGEIRGCGLIAAVELVGDRVSKAPYQALGTLGRYMAGRAQEHGMITRAMGDAVAFCPPLIVNEQEVGMIVERFARALDDTTQWVG
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | VA154A,VR156A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 0.0803956 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 minimalization (00:00:01)
[INFO] FoldX: Building mutant model (00:01:32)
[INFO] FoldX: Starting FoldX energy minimalization (00:01:42)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:03:08)
[INFO] Main: Simulation completed successfully. (00:03:11)
|
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 | 0.0836 | |
| 2 | N | A | -1.1812 | |
| 3 | Q | A | -1.2134 | |
| 4 | S | A | -0.1790 | |
| 5 | V | A | 0.9972 | |
| 6 | S | A | -0.0989 | |
| 7 | S | A | 0.0120 | |
| 8 | L | A | 0.2753 | |
| 9 | A | A | -0.3777 | |
| 10 | E | A | -1.8543 | |
| 11 | K | A | -1.2503 | |
| 12 | D | A | 0.0000 | |
| 13 | I | A | -1.1769 | |
| 14 | Q | A | -1.2598 | |
| 15 | Y | A | 0.1340 | |
| 16 | Q | A | -0.2307 | |
| 17 | L | A | 0.8298 | |
| 18 | H | A | 0.2821 | |
| 19 | P | A | 0.2493 | |
| 20 | Y | A | 0.9390 | |
| 21 | T | A | -0.0606 | |
| 22 | N | A | -1.5515 | |
| 23 | A | A | -1.3224 | |
| 24 | R | A | -2.4404 | |
| 25 | L | A | -1.0934 | |
| 26 | H | A | -1.0829 | |
| 27 | Q | A | -2.3368 | |
| 28 | E | A | -1.8875 | |
| 29 | L | A | 0.4516 | |
| 30 | G | A | -0.3523 | |
| 31 | P | A | 0.5226 | |
| 32 | L | A | 0.9020 | |
| 33 | I | A | 0.1842 | |
| 34 | I | A | -0.8380 | |
| 35 | E | A | -3.0388 | |
| 36 | R | A | -2.8239 | |
| 37 | G | A | -1.2957 | |
| 38 | Q | A | -0.8594 | |
| 39 | G | A | -0.0899 | |
| 40 | I | A | 0.0000 | |
| 41 | Y | A | -0.1335 | |
| 42 | V | A | 0.0000 | |
| 43 | Y | A | -1.6695 | |
| 44 | D | A | 0.0000 | |
| 45 | D | A | -2.9583 | |
| 46 | Q | A | -2.4776 | |
| 47 | G | A | -2.3597 | |
| 48 | K | A | -1.9486 | |
| 49 | G | A | -1.2981 | |
| 50 | Y | A | 0.0000 | |
| 51 | I | A | 0.0000 | |
| 52 | E | A | 0.0000 | |
| 53 | A | A | 0.0000 | |
| 54 | M | A | 0.0000 | |
| 55 | A | A | 0.0000 | |
| 56 | G | A | 0.6461 | |
| 57 | L | A | 1.3165 | |
| 58 | G | A | 0.0000 | |
| 59 | S | A | 0.0000 | |
| 60 | V | A | 0.0000 | |
| 61 | A | A | 0.0000 | |
| 62 | L | A | 0.0000 | |
| 63 | G | A | 0.0000 | |
| 64 | F | A | -0.3037 | |
| 65 | S | A | -0.5777 | |
| 66 | N | A | -0.6744 | |
| 67 | Q | A | -1.2029 | |
| 68 | R | A | -1.2414 | |
| 69 | L | A | 0.0000 | |
| 70 | I | A | -0.0488 | |
| 71 | K | A | -2.0944 | |
| 72 | A | A | -1.2824 | |
| 73 | A | A | 0.0000 | |
| 74 | E | A | -2.4638 | |
| 75 | Q | A | -2.2739 | |
| 76 | Q | A | 0.0000 | |
| 77 | F | A | -0.3438 | |
| 78 | N | A | -1.5330 | |
| 79 | T | A | -0.5607 | |
| 80 | L | A | 0.3753 | |
| 81 | P | A | 0.4089 | |
| 82 | F | A | 1.3898 | |
| 83 | Y | A | 0.7264 | |
| 84 | H | A | -0.0097 | |
| 85 | L | A | -0.2800 | |
| 86 | F | A | -0.4403 | |
| 87 | N | A | -1.6672 | |
| 88 | H | A | -1.9418 | |
| 89 | K | A | -1.8061 | |
| 90 | S | A | -0.9780 | |
| 91 | H | A | 0.0000 | |
| 92 | R | A | -1.4224 | |
| 93 | P | A | 0.0000 | |
| 94 | S | A | 0.0000 | |
| 95 | I | A | -0.2598 | |
| 96 | E | A | -1.7537 | |
| 97 | L | A | 0.0000 | |
| 98 | A | A | -1.1525 | |
| 99 | E | A | -2.5837 | |
| 100 | K | A | -2.0346 | |
| 101 | L | A | 0.0000 | |
| 102 | I | A | -1.4292 | |
| 103 | E | A | -2.2768 | |
| 104 | M | A | -1.0186 | |
| 105 | A | A | -0.6363 | |
| 106 | P | A | -0.5649 | |
| 107 | V | A | -0.4961 | |
| 108 | P | A | -0.6276 | |
| 109 | M | A | 0.0000 | |
| 110 | S | A | -1.0338 | |
| 111 | K | A | -1.1117 | |
| 112 | V | A | -0.0931 | |
| 113 | F | A | 0.2100 | |
| 114 | F | A | 0.0000 | |
| 115 | T | A | 0.0000 | |
| 116 | N | A | -0.5170 | |
| 117 | S | A | -0.4798 | |
| 118 | G | A | -0.3125 | |
| 119 | S | A | -0.5091 | |
| 120 | E | A | -0.4448 | |
| 121 | A | A | 0.0000 | |
| 122 | N | A | 0.0000 | |
| 123 | D | A | -0.9733 | |
| 124 | T | A | 0.0000 | |
| 125 | V | A | 0.0000 | |
| 126 | V | A | 0.0000 | |
| 127 | K | A | -0.8998 | |
| 128 | F | A | 0.0000 | |
| 129 | V | A | 0.0000 | |
| 130 | W | A | -0.3938 | |
| 131 | Y | A | -0.3226 | |
| 132 | L | A | 0.0000 | |
| 133 | N | A | 0.0000 | |
| 134 | N | A | -1.2512 | |
| 135 | A | A | -0.8703 | |
| 136 | L | A | -0.0295 | |
| 137 | G | A | -0.9990 | |
| 138 | K | A | -1.9316 | |
| 139 | P | A | -1.3666 | |
| 140 | A | A | -1.2070 | |
| 141 | K | A | 0.0000 | |
| 142 | K | A | -1.1355 | |
| 143 | K | A | -0.8085 | |
| 144 | F | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | S | A | 0.0000 | |
| 147 | R | A | 0.0000 | |
| 148 | V | A | 0.6170 | |
| 149 | N | A | 0.1731 | |
| 150 | G | A | 0.0000 | |
| 151 | Y | A | 0.4267 | |
| 152 | H | A | 0.0000 | |
| 153 | G | A | 0.0000 | |
| 154 | A | A | -0.4959 | mutated: VA154A |
| 155 | T | A | -1.0233 | |
| 156 | R | A | -1.7484 | mutated: VR156A |
| 157 | A | A | 0.0000 | |
| 158 | S | A | 0.0000 | |
| 159 | A | A | 0.0000 | |
| 160 | S | A | 0.0000 | |
| 161 | L | A | 0.0000 | |
| 162 | T | A | 0.0000 | |
| 163 | G | A | 0.0000 | |
| 164 | L | A | -0.0479 | |
| 165 | P | A | -0.7731 | |
| 166 | G | A | -0.8598 | |
| 167 | N | A | -0.7127 | |
| 168 | Q | A | 0.0000 | |
| 169 | R | A | -2.0877 | |
| 170 | G | A | -1.0234 | |
| 171 | F | A | -0.0136 | |
| 172 | D | A | -1.5564 | |
| 173 | L | A | -0.9273 | |
| 174 | P | A | -0.6133 | |
| 175 | L | A | -0.3353 | |
| 176 | P | A | -0.1353 | |
| 177 | G | A | -0.4081 | |
| 178 | F | A | 0.0000 | |
| 179 | L | A | -0.0935 | |
| 180 | H | A | -0.0804 | |
| 181 | V | A | 0.0000 | |
| 182 | G | A | 0.1039 | |
| 183 | C | A | 0.0000 | |
| 184 | P | A | 0.0000 | |
| 185 | H | A | 0.0000 | |
| 186 | H | A | -0.0086 | |
| 187 | Y | A | 0.0188 | |
| 188 | R | A | 0.0357 | |
| 189 | F | A | 1.1130 | |
| 190 | A | A | 0.5686 | |
| 191 | L | A | 1.3829 | |
| 192 | A | A | 0.6668 | |
| 193 | G | A | -0.2796 | |
| 194 | E | A | 0.0000 | |
| 195 | S | A | -1.4337 | |
| 196 | E | A | -2.5020 | |
| 197 | E | A | -2.5483 | |
| 198 | H | A | -2.4061 | |
| 199 | F | A | 0.0000 | |
| 200 | A | A | 0.0000 | |
| 201 | D | A | -2.4234 | |
| 202 | R | A | -1.4842 | |
| 203 | L | A | 0.0000 | |
| 204 | A | A | 0.0000 | |
| 205 | V | A | 0.1630 | |
| 206 | E | A | -0.8555 | |
| 207 | L | A | 0.0000 | |
| 208 | E | A | -0.8366 | |
| 209 | Q | A | -0.9859 | |
| 210 | K | A | -0.7903 | |
| 211 | I | A | 0.0000 | |
| 212 | L | A | -0.0725 | |
| 213 | A | A | -0.2156 | |
| 214 | E | A | -0.7566 | |
| 215 | G | A | -0.6778 | |
| 216 | P | A | -1.4206 | |
| 217 | E | A | -2.3704 | |
| 218 | T | A | -1.3137 | |
| 219 | I | A | 0.0000 | |
| 220 | A | A | 0.0000 | |
| 221 | A | A | 0.0000 | |
| 222 | F | A | 0.0000 | |
| 223 | I | A | 0.0000 | |
| 224 | G | A | 0.0000 | |
| 225 | E | A | 0.0000 | |
| 226 | P | A | 0.0000 | |
| 227 | L | A | 0.0000 | |
| 228 | M | A | 0.0000 | |
| 229 | G | A | 0.0000 | |
| 230 | A | A | 0.1701 | |
| 231 | G | A | 0.1595 | |
| 232 | G | A | 0.0000 | |
| 233 | V | A | 0.0000 | |
| 234 | I | A | 0.0000 | |
| 235 | V | A | 0.2914 | |
| 236 | P | A | 0.0000 | |
| 237 | P | A | 0.0000 | |
| 238 | R | A | -2.5955 | |
| 239 | T | A | -2.3634 | |
| 240 | Y | A | 0.0000 | |
| 241 | W | A | 0.0000 | |
| 242 | E | A | -3.0478 | |
| 243 | K | A | -2.2512 | |
| 244 | I | A | 0.0000 | |
| 245 | Q | A | -2.3289 | |
| 246 | K | A | -3.3106 | |
| 247 | V | A | 0.0000 | |
| 248 | C | A | 0.0000 | |
| 249 | R | A | -3.0142 | |
| 250 | K | A | -3.1601 | |
| 251 | Y | A | -2.3398 | |
| 252 | D | A | -3.0054 | |
| 253 | I | A | 0.0000 | |
| 254 | L | A | -0.5147 | |
| 255 | V | A | 0.0000 | |
| 256 | I | A | 0.0000 | |
| 257 | A | A | 0.0000 | |
| 258 | D | A | 0.0000 | |
| 259 | E | A | 0.0000 | |
| 260 | V | A | 0.2190 | |
| 261 | I | A | 0.4627 | |
| 262 | C | A | 0.0000 | |
| 263 | G | A | 0.0000 | |
| 264 | F | A | 0.0000 | |
| 265 | G | A | 0.0000 | |
| 266 | R | A | 0.0000 | |
| 267 | T | A | 0.0000 | |
| 268 | G | A | 0.0000 | |
| 269 | Q | A | -1.3516 | |
| 270 | M | A | -0.8942 | |
| 271 | F | A | 0.0000 | |
| 272 | G | A | 0.0000 | |
| 273 | S | A | 0.0000 | |
| 274 | Q | A | -1.3511 | |
| 275 | T | A | -0.6364 | |
| 276 | F | A | -0.8254 | |
| 277 | G | A | -1.3463 | |
| 278 | I | A | 0.0000 | |
| 279 | Q | A | -1.5989 | |
| 280 | P | A | 0.0000 | |
| 281 | D | A | 0.0000 | |
| 282 | I | A | 0.0000 | |
| 283 | M | A | 0.0000 | |
| 284 | V | A | 0.0000 | |
| 285 | L | A | 0.0000 | |
| 286 | S | A | 0.0000 | |
| 287 | K | A | -0.1351 | |
| 288 | Q | A | 0.0000 | |
| 289 | L | A | 0.0000 | |
| 290 | S | A | 0.0000 | |
| 291 | S | A | 0.0000 | |
| 292 | S | A | -0.0185 | |
| 293 | Y | A | 0.3237 | |
| 294 | Q | A | -0.3747 | |
| 295 | P | A | -0.5695 | |
| 296 | I | A | 0.0000 | |
| 297 | A | A | 0.0000 | |
| 298 | A | A | 0.0000 | |
| 299 | I | A | 0.0000 | |
| 300 | L | A | 0.0000 | |
| 301 | I | A | 0.0000 | |
| 302 | N | A | -0.5313 | |
| 303 | A | A | -0.7447 | |
| 304 | P | A | -0.7614 | |
| 305 | V | A | 0.0000 | |
| 306 | F | A | -0.9123 | |
| 307 | E | A | -2.2643 | |
| 308 | G | A | 0.0000 | |
| 309 | I | A | 0.0000 | |
| 310 | A | A | -1.4458 | |
| 311 | D | A | -2.2632 | |
| 312 | Q | A | 0.0000 | |
| 313 | S | A | -0.8243 | |
| 314 | Q | A | -1.4119 | |
| 315 | A | A | -0.3450 | |
| 316 | L | A | 0.7461 | |
| 317 | G | A | -0.2857 | |
| 318 | A | A | -0.3525 | |
| 319 | L | A | -0.0682 | |
| 320 | G | A | -0.1403 | |
| 321 | H | A | -0.3623 | |
| 322 | G | A | -0.0143 | |
| 323 | F | A | 0.2003 | |
| 324 | T | A | 0.2778 | |
| 325 | G | A | 0.0571 | |
| 326 | S | A | 0.0000 | |
| 327 | G | A | 0.0000 | |
| 328 | H | A | 0.1013 | |
| 329 | P | A | 0.0000 | |
| 330 | V | A | 0.0000 | |
| 331 | A | A | 0.0000 | |
| 332 | T | A | 0.0000 | |
| 333 | A | A | -0.6987 | |
| 334 | V | A | 0.0000 | |
| 335 | A | A | 0.0000 | |
| 336 | L | A | -0.5191 | |
| 337 | E | A | -0.4584 | |
| 338 | N | A | 0.0000 | |
| 339 | L | A | 0.0000 | |
| 340 | K | A | -2.2450 | |
| 341 | I | A | 0.0000 | |
| 342 | I | A | 0.0000 | |
| 343 | E | A | -3.6836 | |
| 344 | E | A | -3.8236 | |
| 345 | E | A | -3.5498 | |
| 346 | S | A | -2.8094 | |
| 347 | L | A | 0.0000 | |
| 348 | V | A | 0.0000 | |
| 349 | E | A | -2.7996 | |
| 350 | H | A | -1.8833 | |
| 351 | A | A | 0.0000 | |
| 352 | A | A | -1.5869 | |
| 353 | Q | A | -2.1132 | |
| 354 | M | A | 0.0000 | |
| 355 | G | A | 0.0000 | |
| 356 | Q | A | -1.5224 | |
| 357 | L | A | -1.0884 | |
| 358 | L | A | 0.0000 | |
| 359 | R | A | -1.1732 | |
| 360 | S | A | -0.9291 | |
| 361 | G | A | -0.9606 | |
| 362 | L | A | 0.0000 | |
| 363 | Q | A | -1.0246 | |
| 364 | H | A | -1.3081 | |
| 365 | F | A | -0.6903 | |
| 366 | I | A | -0.6559 | |
| 367 | D | A | -1.8682 | |
| 368 | H | A | -1.3259 | |
| 369 | P | A | -1.0341 | |
| 370 | L | A | 0.0000 | |
| 371 | V | A | 0.0000 | |
| 372 | G | A | -0.8618 | |
| 373 | E | A | -0.6887 | |
| 374 | I | A | 0.0000 | |
| 375 | R | A | 0.0000 | |
| 376 | G | A | -0.1497 | |
| 377 | C | A | -0.1478 | |
| 378 | G | A | -0.8490 | |
| 379 | L | A | 0.0000 | |
| 380 | I | A | 0.0000 | |
| 381 | A | A | 0.0000 | |
| 382 | A | A | 0.0000 | |
| 383 | V | A | 0.0000 | |
| 384 | E | A | 0.0000 | |
| 385 | L | A | 0.0000 | |
| 386 | V | A | 0.0000 | |
| 387 | G | A | -0.7672 | |
| 388 | D | A | -1.2392 | |
| 389 | R | A | -1.1460 | |
| 390 | V | A | 0.7227 | |
| 391 | S | A | -0.2820 | |
| 392 | K | A | -1.0775 | |
| 393 | A | A | -0.5479 | |
| 394 | P | A | -0.3892 | |
| 395 | Y | A | -0.3149 | |
| 396 | Q | A | -0.7627 | |
| 397 | A | A | 0.2117 | |
| 398 | L | A | 1.0489 | |
| 399 | G | A | -0.0008 | |
| 400 | T | A | -0.3795 | |
| 401 | L | A | 0.0000 | |
| 402 | G | A | 0.0000 | |
| 403 | R | A | -1.8611 | |
| 404 | Y | A | -0.8765 | |
| 405 | M | A | 0.0000 | |
| 406 | A | A | 0.0000 | |
| 407 | G | A | -1.5918 | |
| 408 | R | A | -2.3003 | |
| 409 | A | A | 0.0000 | |
| 410 | Q | A | -1.7549 | |
| 411 | E | A | -2.6747 | |
| 412 | H | A | -2.0497 | |
| 413 | G | A | 0.0000 | |
| 414 | M | A | 0.0000 | |
| 415 | I | A | 0.0000 | |
| 416 | T | A | 0.0000 | |
| 417 | R | A | -1.1611 | |
| 418 | A | A | -1.0037 | |
| 419 | M | A | -0.2898 | |
| 420 | G | A | -0.1719 | |
| 421 | D | A | 0.0000 | |
| 422 | A | A | 0.0000 | |
| 423 | V | A | 0.0000 | |
| 424 | A | A | 0.0000 | |
| 425 | F | A | 0.0000 | |
| 426 | C | A | 0.0000 | |
| 427 | P | A | 0.0000 | |
| 428 | P | A | 0.0000 | |
| 429 | L | A | 0.0000 | |
| 430 | I | A | 0.2874 | |
| 431 | V | A | 0.0000 | |
| 432 | N | A | -1.8959 | |
| 433 | E | A | -2.8091 | |
| 434 | Q | A | -2.3321 | |
| 435 | E | A | -1.6765 | |
| 436 | V | A | 0.0000 | |
| 437 | G | A | -1.6533 | |
| 438 | M | A | -1.3884 | |
| 439 | I | A | 0.0000 | |
| 440 | V | A | -1.4075 | |
| 441 | E | A | -2.4434 | |
| 442 | R | A | -2.3823 | |
| 443 | F | A | 0.0000 | |
| 444 | A | A | -2.2388 | |
| 445 | R | A | -3.4567 | |
| 446 | A | A | 0.0000 | |
| 447 | L | A | 0.0000 | |
| 448 | D | A | -2.9360 | |
| 449 | D | A | -2.0141 | |
| 450 | T | A | 0.0000 | |
| 451 | T | A | -1.4309 | |
| 452 | Q | A | -1.5756 | |
| 453 | W | A | -0.3500 | |
| 454 | V | A | -0.1209 | |
| 455 | G | A | -0.5888 |
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