| Chain sequence(s) |
A: PGDGTCAVNYTVVNDWGHGMQGAITVSNTGSSPINNWTLQFSFSGVNISNGWNGEWSQSGSQITVRAPAWNSTLQPGQSVELGFVADKTGNVSPPSQFTLNGATCSGGGGSGGGGSMNNNDIEYNAPSEIKYIDVVNTYDLEEEASKVVPHGGFNYIAGASGDEWTKRANDRAWKHKLLYPRLAQDVEAPDTSTEILGHKIKAPFIMAPIAAHGLAHTTKEAGTARAVSEFGTIMSISAYSGATFEEISEGLNGGPRWFQIYMAKDDQQNRDILDEAKSDGATAIILTADSTVSGNRDRDVKNKFVYPFGMPIVQRYLRGTAEGMSLNNIYGASKQKISPRDIEEIAAHSGLPVFVKGIQHPEDADMAIKAGASGIWVSNHGARQLYEAPGSFDTLPAIAERVNKRVPIVFDSGVRRGEHVAKALASGADVVALGRPVLFGLALGGWQGAYSVLDYFQKDLTRVMQLTGSQNVEDLKGLDLFDNPYGYEY
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| 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 (00:04:19)
[INFO] Main: Simulation completed successfully. (00:04:22)
|
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 | P | A | -0.9393 | |
| 2 | G | A | -1.5256 | |
| 3 | D | A | -2.2567 | |
| 4 | G | A | -1.4237 | |
| 5 | T | A | -0.8510 | |
| 6 | C | A | 0.0000 | |
| 7 | A | A | -0.6727 | |
| 8 | V | A | 0.0000 | |
| 9 | N | A | -1.7540 | |
| 10 | Y | A | -0.4773 | |
| 11 | T | A | 0.5415 | |
| 12 | V | A | 1.3192 | |
| 13 | V | A | 1.3970 | |
| 14 | N | A | -0.6918 | |
| 15 | D | A | -1.8459 | |
| 16 | W | A | -1.4159 | |
| 17 | G | A | -1.6283 | |
| 18 | H | A | -2.0196 | |
| 19 | G | A | 0.0000 | |
| 20 | M | A | 0.0000 | |
| 21 | Q | A | -0.4202 | |
| 22 | G | A | 0.0000 | |
| 23 | A | A | 0.0812 | |
| 24 | I | A | 0.0000 | |
| 25 | T | A | -1.2205 | |
| 26 | V | A | 0.0000 | |
| 27 | S | A | -1.0371 | |
| 28 | N | A | 0.0000 | |
| 29 | T | A | -0.9381 | |
| 30 | G | A | -0.9517 | |
| 31 | S | A | -0.6733 | |
| 32 | S | A | -0.8659 | |
| 33 | P | A | -1.3387 | |
| 34 | I | A | -1.4224 | |
| 35 | N | A | -2.2505 | |
| 36 | N | A | -2.4762 | |
| 37 | W | A | 0.0000 | |
| 38 | T | A | -2.0505 | |
| 39 | L | A | 0.0000 | |
| 40 | Q | A | -1.4928 | |
| 41 | F | A | 0.0000 | |
| 42 | S | A | -1.1270 | |
| 43 | F | A | 0.0000 | |
| 44 | S | A | -0.9400 | |
| 45 | G | A | -1.2757 | |
| 46 | V | A | 0.0000 | |
| 47 | N | A | -2.1596 | |
| 48 | I | A | -1.3054 | |
| 49 | S | A | -1.3587 | |
| 50 | N | A | -1.4742 | |
| 51 | G | A | -0.8392 | |
| 52 | W | A | -0.5587 | |
| 53 | N | A | -1.3200 | |
| 54 | G | A | -1.8085 | |
| 55 | E | A | -2.5098 | |
| 56 | W | A | -1.5250 | |
| 57 | S | A | -1.3509 | |
| 58 | Q | A | -1.1458 | |
| 59 | S | A | -1.1235 | |
| 60 | G | A | -1.2323 | |
| 61 | S | A | -1.1554 | |
| 62 | Q | A | -1.5841 | |
| 63 | I | A | 0.0000 | |
| 64 | T | A | 0.0000 | |
| 65 | V | A | 0.0000 | |
| 66 | R | A | -3.0872 | |
| 67 | A | A | -1.9355 | |
| 68 | P | A | 0.0000 | |
| 69 | A | A | -0.1426 | |
| 70 | W | A | 0.9141 | |
| 71 | N | A | -0.5142 | |
| 72 | S | A | -1.0215 | |
| 73 | T | A | -1.2481 | |
| 74 | L | A | 0.0000 | |
| 75 | Q | A | -1.9102 | |
| 76 | P | A | -1.3178 | |
| 77 | G | A | -1.3015 | |
| 78 | Q | A | -1.4202 | |
| 79 | S | A | -1.2306 | |
| 80 | V | A | 0.0000 | |
| 81 | E | A | -2.0658 | |
| 82 | L | A | 0.0000 | |
| 83 | G | A | 0.0000 | |
| 84 | F | A | 0.0000 | |
| 85 | V | A | -0.8674 | |
| 86 | A | A | 0.0000 | |
| 87 | D | A | -2.6894 | |
| 88 | K | A | -2.2909 | |
| 89 | T | A | -1.5641 | |
| 90 | G | A | -1.6031 | |
| 91 | N | A | -1.4052 | |
| 92 | V | A | -0.4485 | |
| 93 | S | A | -0.4829 | |
| 94 | P | A | -0.3569 | |
| 95 | P | A | 0.0000 | |
| 96 | S | A | -1.1859 | |
| 97 | Q | A | -1.6348 | |
| 98 | F | A | 0.0000 | |
| 99 | T | A | -1.0450 | |
| 100 | L | A | 0.0000 | |
| 101 | N | A | -2.0999 | |
| 102 | G | A | -1.1587 | |
| 103 | A | A | -0.9731 | |
| 104 | T | A | -1.0339 | |
| 105 | C | A | 0.0000 | |
| 106 | S | A | -1.1812 | |
| 107 | G | A | -1.3258 | |
| 108 | G | A | -1.4050 | |
| 109 | G | A | -0.8756 | |
| 110 | G | A | -1.1209 | |
| 111 | S | A | -0.8988 | |
| 112 | G | A | -1.0304 | |
| 113 | G | A | -1.0836 | |
| 114 | G | A | -0.9748 | |
| 115 | G | A | -0.8656 | |
| 116 | S | A | -0.6246 | |
| 117 | M | A | -0.5072 | |
| 118 | N | A | -2.0918 | |
| 119 | N | A | -2.5605 | |
| 120 | N | A | -2.7831 | |
| 121 | D | A | -2.5774 | |
| 122 | I | A | -0.3216 | |
| 123 | E | A | -1.9073 | |
| 124 | Y | A | -1.0568 | |
| 125 | N | A | -1.3922 | |
| 126 | A | A | 0.0000 | |
| 127 | P | A | 0.0000 | |
| 128 | S | A | -1.0726 | |
| 129 | E | A | -1.5130 | |
| 130 | I | A | -0.0699 | |
| 131 | K | A | -0.2786 | |
| 132 | Y | A | 0.7039 | |
| 133 | I | A | 0.2212 | |
| 134 | D | A | -0.9244 | |
| 135 | V | A | 0.2623 | |
| 136 | V | A | 1.2819 | |
| 137 | N | A | 0.3411 | |
| 138 | T | A | 0.0000 | |
| 139 | Y | A | -0.3617 | |
| 140 | D | A | -1.4962 | |
| 141 | L | A | 0.0000 | |
| 142 | E | A | -2.1106 | |
| 143 | E | A | -3.3231 | |
| 144 | E | A | -3.2807 | |
| 145 | A | A | 0.0000 | |
| 146 | S | A | -2.0534 | |
| 147 | K | A | -2.3644 | |
| 148 | V | A | -0.6682 | |
| 149 | V | A | 0.0000 | |
| 150 | P | A | -0.8160 | |
| 151 | H | A | -1.2432 | |
| 152 | G | A | -1.1182 | |
| 153 | G | A | 0.0000 | |
| 154 | F | A | -0.4680 | |
| 155 | N | A | -0.9239 | |
| 156 | Y | A | 0.0000 | |
| 157 | I | A | 0.0000 | |
| 158 | A | A | 0.0000 | |
| 159 | G | A | 0.0000 | |
| 160 | A | A | 0.0000 | |
| 161 | S | A | 0.0000 | |
| 162 | G | A | -1.3255 | |
| 163 | D | A | -2.2040 | |
| 164 | E | A | 0.0000 | |
| 165 | W | A | -0.7304 | |
| 166 | T | A | 0.0000 | |
| 167 | K | A | -1.4400 | |
| 168 | R | A | -1.7590 | |
| 169 | A | A | -1.4845 | |
| 170 | N | A | 0.0000 | |
| 171 | D | A | -2.0101 | |
| 172 | R | A | -1.9129 | |
| 173 | A | A | 0.0000 | |
| 174 | W | A | 0.0000 | |
| 175 | K | A | -1.7295 | |
| 176 | H | A | -1.1937 | |
| 177 | K | A | -1.2192 | |
| 178 | L | A | -0.1644 | |
| 179 | L | A | 0.2466 | |
| 180 | Y | A | 0.7003 | |
| 181 | P | A | 0.1851 | |
| 182 | R | A | -0.6760 | |
| 183 | L | A | 0.4697 | |
| 184 | A | A | -0.3705 | |
| 185 | Q | A | -1.9577 | |
| 186 | D | A | -2.5990 | |
| 187 | V | A | -2.0206 | |
| 188 | E | A | -2.8471 | |
| 189 | A | A | -1.8141 | |
| 190 | P | A | 0.0000 | |
| 191 | D | A | -1.9460 | |
| 192 | T | A | 0.0000 | |
| 193 | S | A | -1.5718 | |
| 194 | T | A | -2.2188 | |
| 195 | E | A | -2.7554 | |
| 196 | I | A | 0.0000 | |
| 197 | L | A | -0.2519 | |
| 198 | G | A | -1.1406 | |
| 199 | H | A | -1.7365 | |
| 200 | K | A | -2.7863 | |
| 201 | I | A | 0.0000 | |
| 202 | K | A | -1.7186 | |
| 203 | A | A | 0.0000 | |
| 204 | P | A | 0.0000 | |
| 205 | F | A | 0.0000 | |
| 206 | I | A | 0.0000 | |
| 207 | M | A | 0.0000 | |
| 208 | A | A | 0.0000 | |
| 209 | P | A | 0.0961 | |
| 210 | I | A | 0.2501 | |
| 211 | A | A | 0.1071 | |
| 212 | A | A | 0.0000 | |
| 213 | H | A | 0.0000 | |
| 214 | G | A | 0.0000 | |
| 215 | L | A | 0.0000 | |
| 216 | A | A | 0.0000 | |
| 217 | H | A | 0.0000 | |
| 218 | T | A | -0.7074 | |
| 219 | T | A | -0.6133 | |
| 220 | K | A | -0.5954 | |
| 221 | E | A | 0.0000 | |
| 222 | A | A | -1.3624 | |
| 223 | G | A | 0.0000 | |
| 224 | T | A | 0.0000 | |
| 225 | A | A | 0.0000 | |
| 226 | R | A | -2.3357 | |
| 227 | A | A | 0.0000 | |
| 228 | V | A | 0.0000 | |
| 229 | S | A | -1.8004 | |
| 230 | E | A | -2.3988 | |
| 231 | F | A | 0.0000 | |
| 232 | G | A | -1.4697 | |
| 233 | T | A | 0.0000 | |
| 234 | I | A | 0.0000 | |
| 235 | M | A | 0.0000 | |
| 236 | S | A | 0.0000 | |
| 237 | I | A | 0.0000 | |
| 238 | S | A | 0.0000 | |
| 239 | A | A | 0.0000 | |
| 240 | Y | A | 0.0000 | |
| 241 | S | A | 0.0000 | |
| 242 | G | A | 0.0000 | |
| 243 | A | A | 0.0000 | |
| 244 | T | A | -0.9828 | |
| 245 | F | A | 0.0000 | |
| 246 | E | A | -2.7833 | |
| 247 | E | A | -2.3978 | |
| 248 | I | A | 0.0000 | |
| 249 | S | A | -2.5760 | |
| 250 | E | A | -3.3044 | |
| 251 | G | A | 0.0000 | |
| 252 | L | A | 0.0000 | |
| 253 | N | A | -2.6212 | |
| 254 | G | A | -1.4688 | |
| 255 | G | A | -1.4480 | |
| 256 | P | A | -0.6771 | |
| 257 | R | A | 0.0000 | |
| 258 | W | A | 0.0000 | |
| 259 | F | A | 0.0000 | |
| 260 | Q | A | 0.0000 | |
| 261 | I | A | 0.0000 | |
| 262 | Y | A | 0.0000 | |
| 263 | M | A | 0.0000 | |
| 264 | A | A | 0.0000 | |
| 265 | K | A | -3.5469 | |
| 266 | D | A | -3.7293 | |
| 267 | D | A | -3.6876 | |
| 268 | Q | A | -2.8695 | |
| 269 | Q | A | -2.6329 | |
| 270 | N | A | 0.0000 | |
| 271 | R | A | -2.5538 | |
| 272 | D | A | -2.4897 | |
| 273 | I | A | 0.0000 | |
| 274 | L | A | 0.0000 | |
| 275 | D | A | -2.6341 | |
| 276 | E | A | -1.9947 | |
| 277 | A | A | 0.0000 | |
| 278 | K | A | -2.2211 | |
| 279 | S | A | -1.5563 | |
| 280 | D | A | -1.5710 | |
| 281 | G | A | -1.1995 | |
| 282 | A | A | 0.0000 | |
| 283 | T | A | -0.3802 | |
| 284 | A | A | 0.0000 | |
| 285 | I | A | 0.0000 | |
| 286 | I | A | 0.0000 | |
| 287 | L | A | 0.0000 | |
| 288 | T | A | 0.0000 | |
| 289 | A | A | -0.3522 | |
| 290 | D | A | 0.0898 | |
| 291 | S | A | 0.0000 | |
| 292 | T | A | 0.0006 | |
| 293 | V | A | 0.9992 | |
| 294 | S | A | 0.0046 | |
| 295 | G | A | -0.0199 | |
| 296 | N | A | -1.0333 | |
| 297 | R | A | 0.0000 | |
| 298 | D | A | -1.7122 | |
| 299 | R | A | -1.7698 | |
| 300 | D | A | -1.0579 | |
| 301 | V | A | -0.3784 | |
| 302 | K | A | -2.0875 | |
| 303 | N | A | -2.0474 | |
| 304 | K | A | -1.8460 | |
| 305 | F | A | 0.0000 | |
| 306 | V | A | 0.1676 | |
| 307 | Y | A | 0.0000 | |
| 308 | P | A | -0.3897 | |
| 309 | F | A | -0.3693 | |
| 310 | G | A | -0.7255 | |
| 311 | M | A | 0.0000 | |
| 312 | P | A | -0.4274 | |
| 313 | I | A | 0.0000 | |
| 314 | V | A | 0.0000 | |
| 315 | Q | A | -1.6307 | |
| 316 | R | A | -1.6202 | |
| 317 | Y | A | -1.4861 | |
| 318 | L | A | 0.0000 | |
| 319 | R | A | -2.2937 | |
| 320 | G | A | -1.9034 | |
| 321 | T | A | -1.4204 | |
| 322 | A | A | 0.0000 | |
| 323 | E | A | -1.2063 | |
| 324 | G | A | -0.3411 | |
| 325 | M | A | -0.6325 | |
| 326 | S | A | -0.7047 | |
| 327 | L | A | 0.0000 | |
| 328 | N | A | -1.7113 | |
| 329 | N | A | -1.7256 | |
| 330 | I | A | 0.0000 | |
| 331 | Y | A | 0.0000 | |
| 332 | G | A | -1.2709 | |
| 333 | A | A | -1.2743 | |
| 334 | S | A | 0.0000 | |
| 335 | K | A | -2.1704 | |
| 336 | Q | A | -1.6738 | |
| 337 | K | A | -2.2450 | |
| 338 | I | A | -1.3139 | |
| 339 | S | A | -1.2786 | |
| 340 | P | A | -1.8539 | |
| 341 | R | A | -2.7682 | |
| 342 | D | A | 0.0000 | |
| 343 | I | A | 0.0000 | |
| 344 | E | A | -3.2277 | |
| 345 | E | A | -2.5778 | |
| 346 | I | A | 0.0000 | |
| 347 | A | A | -1.3167 | |
| 348 | A | A | -1.0581 | |
| 349 | H | A | -1.2632 | |
| 350 | S | A | 0.0000 | |
| 351 | G | A | -0.6902 | |
| 352 | L | A | -0.2773 | |
| 353 | P | A | -0.0068 | |
| 354 | V | A | 0.0000 | |
| 355 | F | A | 0.0000 | |
| 356 | V | A | 0.0000 | |
| 357 | K | A | 0.0000 | |
| 358 | G | A | -0.4901 | |
| 359 | I | A | 0.0000 | |
| 360 | Q | A | -1.2311 | |
| 361 | H | A | -2.0920 | |
| 362 | P | A | -2.5575 | |
| 363 | E | A | -2.9800 | |
| 364 | D | A | -2.6524 | |
| 365 | A | A | 0.0000 | |
| 366 | D | A | -2.3490 | |
| 367 | M | A | -1.3518 | |
| 368 | A | A | 0.0000 | |
| 369 | I | A | -1.2382 | |
| 370 | K | A | -2.0345 | |
| 371 | A | A | 0.0000 | |
| 372 | G | A | -1.6382 | |
| 373 | A | A | 0.0000 | |
| 374 | S | A | -0.3174 | |
| 375 | G | A | 0.0000 | |
| 376 | I | A | 0.0000 | |
| 377 | W | A | 0.0000 | |
| 378 | V | A | 0.0000 | |
| 379 | S | A | 0.0000 | |
| 380 | N | A | 0.0000 | |
| 381 | H | A | -0.1075 | |
| 382 | G | A | -0.3258 | |
| 383 | A | A | 0.0000 | |
| 384 | R | A | -0.1009 | |
| 385 | Q | A | 0.0000 | |
| 386 | L | A | 1.2962 | |
| 387 | Y | A | 0.1373 | |
| 388 | E | A | -1.1909 | |
| 389 | A | A | -0.2424 | |
| 390 | P | A | -0.5284 | |
| 391 | G | A | 0.0000 | |
| 392 | S | A | 0.0000 | |
| 393 | F | A | 0.0000 | |
| 394 | D | A | -1.3007 | |
| 395 | T | A | -0.7405 | |
| 396 | L | A | 0.0000 | |
| 397 | P | A | -1.0374 | |
| 398 | A | A | -1.7599 | |
| 399 | I | A | 0.0000 | |
| 400 | A | A | -2.4099 | |
| 401 | E | A | -3.4675 | |
| 402 | R | A | -4.1434 | |
| 403 | V | A | 0.0000 | |
| 404 | N | A | -3.7453 | |
| 405 | K | A | -3.5083 | |
| 406 | R | A | -2.6085 | |
| 407 | V | A | -1.2081 | |
| 408 | P | A | -0.8462 | |
| 409 | I | A | 0.0000 | |
| 410 | V | A | 0.0000 | |
| 411 | F | A | 0.0000 | |
| 412 | D | A | 0.0000 | |
| 413 | S | A | 0.0000 | |
| 414 | G | A | -0.8213 | |
| 415 | V | A | 0.0000 | |
| 416 | R | A | -0.4997 | |
| 417 | R | A | -0.6988 | |
| 418 | G | A | 0.0000 | |
| 419 | E | A | -0.6850 | |
| 420 | H | A | 0.0000 | |
| 421 | V | A | 0.0000 | |
| 422 | A | A | 0.0000 | |
| 423 | K | A | 0.0000 | |
| 424 | A | A | 0.0000 | |
| 425 | L | A | 0.0000 | |
| 426 | A | A | -1.0665 | |
| 427 | S | A | 0.0000 | |
| 428 | G | A | -1.2577 | |
| 429 | A | A | 0.0000 | |
| 430 | D | A | -1.3489 | |
| 431 | V | A | 0.0000 | |
| 432 | V | A | 0.0000 | |
| 433 | A | A | 0.0000 | |
| 434 | L | A | 0.0000 | |
| 435 | G | A | -0.1612 | |
| 436 | R | A | -0.1985 | |
| 437 | P | A | 0.0000 | |
| 438 | V | A | 0.0000 | |
| 439 | L | A | 0.0000 | |
| 440 | F | A | 0.0000 | |
| 441 | G | A | 0.0000 | |
| 442 | L | A | 0.0000 | |
| 443 | A | A | 0.0000 | |
| 444 | L | A | -0.3545 | |
| 445 | G | A | 0.0000 | |
| 446 | G | A | 0.0000 | |
| 447 | W | A | -0.4335 | |
| 448 | Q | A | -0.0814 | |
| 449 | G | A | 0.0000 | |
| 450 | A | A | 0.0000 | |
| 451 | Y | A | -0.2346 | |
| 452 | S | A | 0.0000 | |
| 453 | V | A | 0.0000 | |
| 454 | L | A | 0.0000 | |
| 455 | D | A | -0.7797 | |
| 456 | Y | A | -0.6355 | |
| 457 | F | A | 0.0000 | |
| 458 | Q | A | -1.4705 | |
| 459 | K | A | -2.3243 | |
| 460 | D | A | 0.0000 | |
| 461 | L | A | 0.0000 | |
| 462 | T | A | -2.1057 | |
| 463 | R | A | -2.3490 | |
| 464 | V | A | 0.0000 | |
| 465 | M | A | 0.0000 | |
| 466 | Q | A | -1.5816 | |
| 467 | L | A | 0.5571 | |
| 468 | T | A | 0.0000 | |
| 469 | G | A | -1.3755 | |
| 470 | S | A | 0.0000 | |
| 471 | Q | A | -2.7828 | |
| 472 | N | A | -2.2884 | |
| 473 | V | A | 0.0000 | |
| 474 | E | A | -2.8239 | |
| 475 | D | A | -2.3440 | |
| 476 | L | A | 0.0000 | |
| 477 | K | A | -1.9877 | |
| 478 | G | A | -1.7657 | |
| 479 | L | A | -1.1640 | |
| 480 | D | A | -1.5791 | |
| 481 | L | A | -0.5091 | |
| 482 | F | A | -0.2643 | |
| 483 | D | A | -1.7808 | |
| 484 | N | A | -0.8971 | |
| 485 | P | A | -0.2679 | |
| 486 | Y | A | 0.7193 | |
| 487 | G | A | -0.0615 | |
| 488 | Y | A | 0.4413 | |
| 489 | E | A | -0.3845 | |
| 490 | Y | A | 0.8618 |
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