| Chain sequence(s) |
A: QVQLQESGPGLVKPSQTLSLTCTVSGGSISSGDYYWSWIRQPPGKGLEWIGYIYYSGSTDYNPSLKSRVTMSVDTSKNQFSLKVNSVTAADTAVYYCARVSIFGVGTFDYWGQGTLVTVSSAAGGGGSGGGGSGGGGSDIVMTQSPATLSLSPGERATLSCRASQSVSSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCHQYGSTPLTFGGGTKAEIKAGGGGSDVQLVQSGAEVKKPGASVKVSCKASGYTFTRYTMHWVRQAPGQGLEWIGYINPSRGYTNYADSVKGRFTITTDKSTSTAYMELSSLRSEDTATYYCARYYDDHYCLDYWGQGTTVTVSSAAGGGGSGGGGSGGGGSDIVLTQSPATLSLSPGERATLSCRASQSVSYMNWYQQKPGKAPKRWIYDTSKVASGVPARFSGSGSGTDYSLTINSLEAEDAATYYCQQWSSNPLTFGGGTKVEIKA
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] (00:00:01)
[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] Analysis: Starting Aggrescan3D on folded.pdb (00:04:23)
[INFO] Main: Simulation completed successfully. (00:04:27)
|
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 | Q | A | -1.6140 | |
| 2 | V | A | -1.3142 | |
| 3 | Q | A | -1.9710 | |
| 4 | L | A | 0.0000 | |
| 5 | Q | A | -1.8639 | |
| 6 | E | A | 0.0000 | |
| 7 | S | A | -0.7293 | |
| 8 | G | A | -0.4357 | |
| 9 | P | A | 0.0162 | |
| 10 | G | A | 0.4026 | |
| 11 | L | A | 0.9605 | |
| 12 | V | A | 0.0000 | |
| 13 | K | A | -1.8468 | |
| 14 | P | A | -1.3764 | |
| 15 | S | A | -1.4609 | |
| 16 | Q | A | -1.9857 | |
| 17 | T | A | -1.8188 | |
| 18 | L | A | 0.0000 | |
| 19 | S | A | -1.1474 | |
| 20 | L | A | 0.0000 | |
| 21 | T | A | -0.6866 | |
| 22 | C | A | 0.0000 | |
| 23 | T | A | -1.2465 | |
| 24 | V | A | 0.0000 | |
| 25 | S | A | -1.3374 | |
| 26 | G | A | -1.3521 | |
| 27 | G | A | -1.0332 | |
| 28 | S | A | -0.7345 | |
| 29 | I | A | 0.0000 | |
| 30 | S | A | -0.2633 | |
| 31 | S | A | -0.3032 | |
| 32 | G | A | -0.0779 | |
| 33 | D | A | 0.0957 | |
| 34 | Y | A | 0.6773 | |
| 35 | Y | A | 0.6476 | |
| 36 | W | A | 0.0000 | |
| 37 | S | A | 0.0000 | |
| 38 | W | A | 0.0000 | |
| 39 | I | A | 0.0000 | |
| 40 | R | A | 0.0000 | |
| 41 | Q | A | -0.6283 | |
| 42 | P | A | 0.0000 | |
| 43 | P | A | -0.8832 | |
| 44 | G | A | -1.4498 | |
| 45 | K | A | -2.2467 | |
| 46 | G | A | -1.3071 | |
| 47 | L | A | 0.0000 | |
| 48 | E | A | -0.7413 | |
| 49 | W | A | 0.0000 | |
| 50 | I | A | 0.0000 | |
| 51 | G | A | 0.0000 | |
| 52 | Y | A | 0.0974 | |
| 53 | I | A | 0.0000 | |
| 54 | Y | A | 0.3008 | |
| 55 | Y | A | 0.2933 | |
| 56 | S | A | -0.1377 | |
| 57 | G | A | -0.2703 | |
| 58 | S | A | -0.2869 | |
| 59 | T | A | -0.3067 | |
| 60 | D | A | -0.8068 | |
| 61 | Y | A | -0.7789 | |
| 62 | N | A | -0.9445 | |
| 63 | P | A | -1.1871 | |
| 64 | S | A | -1.0991 | |
| 65 | L | A | 0.0000 | |
| 66 | K | A | -2.1392 | |
| 67 | S | A | -1.5092 | |
| 68 | R | A | -1.8927 | |
| 69 | V | A | 0.0000 | |
| 70 | T | A | -1.2819 | |
| 71 | M | A | 0.0000 | |
| 72 | S | A | -0.4599 | |
| 73 | V | A | -0.4032 | |
| 74 | D | A | -1.2665 | |
| 75 | T | A | -1.0743 | |
| 76 | S | A | -1.3645 | |
| 77 | K | A | -2.1939 | |
| 78 | N | A | -1.4669 | |
| 79 | Q | A | -1.2961 | |
| 80 | F | A | 0.0000 | |
| 81 | S | A | -0.6278 | |
| 82 | L | A | 0.0000 | |
| 83 | K | A | -1.9629 | |
| 84 | V | A | 0.0000 | |
| 85 | N | A | -2.2468 | |
| 86 | S | A | -1.7218 | |
| 87 | V | A | 0.0000 | |
| 88 | T | A | -0.7280 | |
| 89 | A | A | -0.2624 | |
| 90 | A | A | -0.0743 | |
| 91 | D | A | 0.0000 | |
| 92 | T | A | 0.3154 | |
| 93 | A | A | 0.0000 | |
| 94 | V | A | 0.5070 | |
| 95 | Y | A | 0.0000 | |
| 96 | Y | A | 0.0000 | |
| 97 | C | A | 0.0000 | |
| 98 | A | A | 0.0000 | |
| 99 | R | A | 0.0000 | |
| 100 | V | A | 0.0000 | |
| 101 | S | A | 0.0000 | |
| 102 | I | A | 1.7104 | |
| 103 | F | A | 2.0773 | |
| 104 | G | A | 0.8488 | |
| 105 | V | A | 0.8591 | |
| 106 | G | A | 0.8531 | |
| 107 | T | A | 0.0000 | |
| 108 | F | A | 0.0000 | |
| 109 | D | A | -0.4911 | |
| 110 | Y | A | -0.5452 | |
| 111 | W | A | -0.8104 | |
| 112 | G | A | 0.0000 | |
| 113 | Q | A | -1.6859 | |
| 114 | G | A | -0.7540 | |
| 115 | T | A | -0.1059 | |
| 116 | L | A | 0.9727 | |
| 117 | V | A | 0.0000 | |
| 118 | T | A | 0.3921 | |
| 119 | V | A | 0.0000 | |
| 120 | S | A | -0.4988 | |
| 121 | S | A | -0.8164 | |
| 122 | A | A | -0.4474 | |
| 123 | A | A | -0.3320 | |
| 124 | G | A | -0.8606 | |
| 125 | G | A | -1.0699 | |
| 126 | G | A | -1.1327 | |
| 127 | G | A | -1.1630 | |
| 128 | S | A | -1.0049 | |
| 129 | G | A | -1.1822 | |
| 130 | G | A | -1.1853 | |
| 131 | G | A | -1.2078 | |
| 132 | G | A | -1.1814 | |
| 133 | S | A | -1.0897 | |
| 134 | G | A | -1.2126 | |
| 135 | G | A | -1.4091 | |
| 136 | G | A | -1.2361 | |
| 137 | G | A | -1.2643 | |
| 138 | S | A | -0.8604 | |
| 139 | D | A | -0.8568 | |
| 140 | I | A | -0.0652 | |
| 141 | V | A | 1.0296 | |
| 142 | M | A | 0.0000 | |
| 143 | T | A | -0.5995 | |
| 144 | Q | A | -0.6712 | |
| 145 | S | A | -0.6933 | |
| 146 | P | A | -0.3082 | |
| 147 | A | A | -0.2645 | |
| 148 | T | A | -0.3225 | |
| 149 | L | A | -0.2465 | |
| 150 | S | A | -0.5401 | |
| 151 | L | A | -0.8559 | |
| 152 | S | A | -1.1588 | |
| 153 | P | A | -1.4930 | |
| 154 | G | A | -1.6200 | |
| 155 | E | A | -2.1319 | |
| 156 | R | A | -2.5184 | |
| 157 | A | A | 0.0000 | |
| 158 | T | A | -0.6357 | |
| 159 | L | A | 0.0000 | |
| 160 | S | A | -0.8878 | |
| 161 | C | A | 0.0000 | |
| 162 | R | A | -2.3373 | |
| 163 | A | A | 0.0000 | |
| 164 | S | A | -0.8433 | |
| 165 | Q | A | -1.5617 | |
| 166 | S | A | -1.2134 | |
| 167 | V | A | 0.0000 | |
| 168 | S | A | -0.4214 | |
| 169 | S | A | -0.1105 | |
| 170 | Y | A | 0.8732 | |
| 171 | L | A | 0.0000 | |
| 172 | A | A | 0.0000 | |
| 173 | W | A | 0.0000 | |
| 174 | Y | A | 0.0000 | |
| 175 | Q | A | 0.0000 | |
| 176 | Q | A | 0.0000 | |
| 177 | K | A | -1.1434 | |
| 178 | P | A | -0.7743 | |
| 179 | G | A | -1.2499 | |
| 180 | Q | A | -1.6886 | |
| 181 | A | A | -1.1952 | |
| 182 | P | A | 0.0000 | |
| 183 | R | A | -1.4627 | |
| 184 | L | A | -0.6956 | |
| 185 | L | A | 0.0000 | |
| 186 | I | A | 0.0000 | |
| 187 | Y | A | -0.1823 | |
| 188 | D | A | -0.3134 | |
| 189 | A | A | 0.0000 | |
| 190 | S | A | -0.8551 | |
| 191 | N | A | -1.1989 | |
| 192 | R | A | -1.2562 | |
| 193 | A | A | -0.8315 | |
| 194 | T | A | -0.5538 | |
| 195 | G | A | -0.6177 | |
| 196 | I | A | 0.0000 | |
| 197 | P | A | -0.4011 | |
| 198 | A | A | -0.3325 | |
| 199 | R | A | -0.6556 | |
| 200 | F | A | 0.0000 | |
| 201 | S | A | -0.6121 | |
| 202 | G | A | -0.6543 | |
| 203 | S | A | -0.7922 | |
| 204 | G | A | -1.1127 | |
| 205 | S | A | -0.9201 | |
| 206 | G | A | -1.0487 | |
| 207 | T | A | -1.7546 | |
| 208 | D | A | -2.1763 | |
| 209 | F | A | 0.0000 | |
| 210 | T | A | -0.7887 | |
| 211 | L | A | 0.0000 | |
| 212 | T | A | -0.5885 | |
| 213 | I | A | 0.0000 | |
| 214 | S | A | -1.2706 | |
| 215 | S | A | -1.5668 | |
| 216 | L | A | 0.0000 | |
| 217 | E | A | -1.8220 | |
| 218 | P | A | -1.3064 | |
| 219 | E | A | -1.5823 | |
| 220 | D | A | 0.0000 | |
| 221 | F | A | -0.1796 | |
| 222 | A | A | 0.0000 | |
| 223 | V | A | -0.0305 | |
| 224 | Y | A | 0.0000 | |
| 225 | Y | A | 0.0000 | |
| 226 | C | A | 0.0000 | |
| 227 | H | A | 0.0000 | |
| 228 | Q | A | 0.0000 | |
| 229 | Y | A | 0.3542 | |
| 230 | G | A | 0.0591 | |
| 231 | S | A | -0.1792 | |
| 232 | T | A | -0.3845 | |
| 233 | P | A | -0.4121 | |
| 234 | L | A | 0.0000 | |
| 235 | T | A | 0.2160 | |
| 236 | F | A | 0.2742 | |
| 237 | G | A | 0.0000 | |
| 238 | G | A | -0.7419 | |
| 239 | G | A | -0.6291 | |
| 240 | T | A | 0.0000 | |
| 241 | K | A | -0.4948 | |
| 242 | A | A | 0.0000 | |
| 243 | E | A | -0.5563 | |
| 244 | I | A | -0.8899 | |
| 245 | K | A | -1.2270 | |
| 246 | A | A | -1.1088 | |
| 247 | G | A | -1.0767 | |
| 248 | G | A | -0.9677 | |
| 249 | G | A | -0.8899 | |
| 250 | G | A | -1.2505 | |
| 251 | S | A | -1.5540 | |
| 252 | D | A | -2.1793 | |
| 253 | V | A | -1.0368 | |
| 254 | Q | A | -1.3531 | |
| 255 | L | A | 0.0000 | |
| 256 | V | A | 0.1859 | |
| 257 | Q | A | 0.0000 | |
| 258 | S | A | -0.6428 | |
| 259 | G | A | -0.6396 | |
| 260 | A | A | -0.1290 | |
| 261 | E | A | -0.1970 | |
| 262 | V | A | 0.8724 | |
| 263 | K | A | -0.8924 | |
| 264 | K | A | -2.0505 | |
| 265 | P | A | -1.9886 | |
| 266 | G | A | -1.3962 | |
| 267 | A | A | -1.1413 | |
| 268 | S | A | -1.3635 | |
| 269 | V | A | 0.0000 | |
| 270 | K | A | -2.2085 | |
| 271 | V | A | 0.0000 | |
| 272 | S | A | -0.6577 | |
| 273 | C | A | 0.0000 | |
| 274 | K | A | -0.9400 | |
| 275 | A | A | 0.0000 | |
| 276 | S | A | -0.8848 | |
| 277 | G | A | -1.2297 | |
| 278 | Y | A | -0.8995 | |
| 279 | T | A | -0.8306 | |
| 280 | F | A | 0.0000 | |
| 281 | T | A | -1.6011 | |
| 282 | R | A | -1.9492 | |
| 283 | Y | A | -0.9443 | |
| 284 | T | A | -0.5866 | |
| 285 | M | A | 0.0000 | |
| 286 | H | A | 0.0000 | |
| 287 | W | A | 0.0000 | |
| 288 | V | A | 0.0000 | |
| 289 | R | A | -0.7159 | |
| 290 | Q | A | -0.9598 | |
| 291 | A | A | -1.2277 | |
| 292 | P | A | -1.1241 | |
| 293 | G | A | -1.2134 | |
| 294 | Q | A | -1.8203 | |
| 295 | G | A | -1.2394 | |
| 296 | L | A | 0.0000 | |
| 297 | E | A | -1.0722 | |
| 298 | W | A | 0.0000 | |
| 299 | I | A | 0.0000 | |
| 300 | G | A | 0.0000 | |
| 301 | Y | A | 0.1660 | |
| 302 | I | A | 0.0000 | |
| 303 | N | A | -0.7701 | |
| 304 | P | A | 0.0000 | |
| 305 | S | A | -1.6632 | |
| 306 | R | A | -1.7668 | |
| 307 | G | A | -0.8682 | |
| 308 | Y | A | 0.2964 | |
| 309 | T | A | -0.0004 | |
| 310 | N | A | -0.8437 | |
| 311 | Y | A | -1.2735 | |
| 312 | A | A | -1.7832 | |
| 313 | D | A | -2.8371 | |
| 314 | S | A | -1.8061 | |
| 315 | V | A | 0.0000 | |
| 316 | K | A | -2.7469 | |
| 317 | G | A | -1.7833 | |
| 318 | R | A | -1.4911 | |
| 319 | F | A | 0.0000 | |
| 320 | T | A | -1.0711 | |
| 321 | I | A | 0.0000 | |
| 322 | T | A | -0.3931 | |
| 323 | T | A | -1.0579 | |
| 324 | D | A | -1.7576 | |
| 325 | K | A | -2.1884 | |
| 326 | S | A | -1.2735 | |
| 327 | T | A | -1.1147 | |
| 328 | S | A | -1.2768 | |
| 329 | T | A | 0.0000 | |
| 330 | A | A | 0.0000 | |
| 331 | Y | A | -0.7418 | |
| 332 | M | A | 0.0000 | |
| 333 | E | A | -1.8001 | |
| 334 | L | A | 0.0000 | |
| 335 | S | A | -1.1771 | |
| 336 | S | A | -1.0322 | |
| 337 | L | A | 0.0000 | |
| 338 | R | A | -2.3917 | |
| 339 | S | A | -2.0682 | |
| 340 | E | A | -2.4481 | |
| 341 | D | A | 0.0000 | |
| 342 | T | A | -0.9109 | |
| 343 | A | A | 0.0000 | |
| 344 | T | A | -0.3832 | |
| 345 | Y | A | 0.0000 | |
| 346 | Y | A | 0.0000 | |
| 347 | C | A | 0.0000 | |
| 348 | A | A | 0.0000 | |
| 349 | R | A | 0.0000 | |
| 350 | Y | A | -0.3392 | |
| 351 | Y | A | -1.0649 | |
| 352 | D | A | -2.5486 | |
| 353 | D | A | -2.5329 | |
| 354 | H | A | -1.4233 | |
| 355 | Y | A | -0.4911 | |
| 356 | C | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | D | A | -0.1996 | |
| 359 | Y | A | 0.0453 | |
| 360 | W | A | -0.2610 | |
| 361 | G | A | 0.0000 | |
| 362 | Q | A | -1.4705 | |
| 363 | G | A | -0.9049 | |
| 364 | T | A | 0.0000 | |
| 365 | T | A | -0.2230 | |
| 366 | V | A | 0.0000 | |
| 367 | T | A | -0.3318 | |
| 368 | V | A | 0.0000 | |
| 369 | S | A | -0.8596 | |
| 370 | S | A | -1.1220 | |
| 371 | A | A | -0.4984 | |
| 372 | A | A | -0.3382 | |
| 373 | G | A | -0.8641 | |
| 374 | G | A | -1.0640 | |
| 375 | G | A | -1.1275 | |
| 376 | G | A | -1.1463 | |
| 377 | S | A | -0.9912 | |
| 378 | G | A | -1.4106 | |
| 379 | G | A | -1.1692 | |
| 380 | G | A | -1.4182 | |
| 381 | G | A | -1.1638 | |
| 382 | S | A | -1.0860 | |
| 383 | G | A | -1.2055 | |
| 384 | G | A | -1.6946 | |
| 385 | G | A | -1.4582 | |
| 386 | G | A | -1.5824 | |
| 387 | S | A | -1.1543 | |
| 388 | D | A | -1.5484 | |
| 389 | I | A | 0.0000 | |
| 390 | V | A | 1.0489 | |
| 391 | L | A | 0.0000 | |
| 392 | T | A | -0.2666 | |
| 393 | Q | A | -0.3328 | |
| 394 | S | A | -0.4794 | |
| 395 | P | A | -0.3638 | |
| 396 | A | A | -0.4004 | |
| 397 | T | A | -0.5969 | |
| 398 | L | A | -0.5114 | |
| 399 | S | A | -0.8363 | |
| 400 | L | A | -1.2747 | |
| 401 | S | A | -1.6415 | |
| 402 | P | A | -2.0207 | |
| 403 | G | A | -1.9944 | |
| 404 | E | A | -2.5893 | |
| 405 | R | A | -2.8225 | |
| 406 | A | A | 0.0000 | |
| 407 | T | A | -0.6059 | |
| 408 | L | A | 0.0000 | |
| 409 | S | A | -0.7361 | |
| 410 | C | A | 0.0000 | |
| 411 | R | A | -1.5124 | |
| 412 | A | A | 0.0000 | |
| 413 | S | A | -0.7789 | |
| 414 | Q | A | -1.5825 | |
| 415 | S | A | -1.2799 | |
| 416 | V | A | 0.0000 | |
| 417 | S | A | -0.0598 | |
| 418 | Y | A | 0.4756 | |
| 419 | M | A | 0.0000 | |
| 420 | N | A | 0.0000 | |
| 421 | W | A | 0.0000 | |
| 422 | Y | A | 0.0000 | |
| 423 | Q | A | 0.0000 | |
| 424 | Q | A | 0.0000 | |
| 425 | K | A | -2.1565 | |
| 426 | P | A | -1.3879 | |
| 427 | G | A | -1.7560 | |
| 428 | K | A | -2.7685 | |
| 429 | A | A | -1.8290 | |
| 430 | P | A | 0.0000 | |
| 431 | K | A | -2.0211 | |
| 432 | R | A | -0.8638 | |
| 433 | W | A | 0.0000 | |
| 434 | I | A | 0.0000 | |
| 435 | Y | A | -0.2434 | |
| 436 | D | A | -0.4338 | |
| 437 | T | A | 0.0000 | |
| 438 | S | A | -0.8283 | |
| 439 | K | A | -1.3773 | |
| 440 | V | A | -0.1890 | |
| 441 | A | A | 0.0000 | |
| 442 | S | A | -0.5605 | |
| 443 | G | A | -0.7302 | |
| 444 | V | A | -0.1958 | |
| 445 | P | A | -0.0794 | |
| 446 | A | A | -0.0836 | |
| 447 | R | A | -0.7618 | |
| 448 | F | A | 0.0000 | |
| 449 | S | A | -0.4779 | |
| 450 | G | A | 0.0000 | |
| 451 | S | A | -0.8890 | |
| 452 | G | A | -1.1427 | |
| 453 | S | A | -1.0287 | |
| 454 | G | A | -1.2149 | |
| 455 | T | A | -1.7221 | |
| 456 | D | A | -2.5167 | |
| 457 | Y | A | 0.0000 | |
| 458 | S | A | -0.8000 | |
| 459 | L | A | 0.0000 | |
| 460 | T | A | -0.7134 | |
| 461 | I | A | 0.0000 | |
| 462 | N | A | -1.9236 | |
| 463 | S | A | -2.0482 | |
| 464 | L | A | 0.0000 | |
| 465 | E | A | -2.2255 | |
| 466 | A | A | -1.7996 | |
| 467 | E | A | -2.3660 | |
| 468 | D | A | 0.0000 | |
| 469 | A | A | -1.5142 | |
| 470 | A | A | 0.0000 | |
| 471 | T | A | -0.8866 | |
| 472 | Y | A | 0.0000 | |
| 473 | Y | A | 0.0000 | |
| 474 | C | A | 0.0000 | |
| 475 | Q | A | 0.0000 | |
| 476 | Q | A | 0.0000 | |
| 477 | W | A | 0.1117 | |
| 478 | S | A | -0.3098 | |
| 479 | S | A | -0.9731 | |
| 480 | N | A | -1.6126 | |
| 481 | P | A | -1.3802 | |
| 482 | L | A | 0.0000 | |
| 483 | T | A | -0.1025 | |
| 484 | F | A | 0.1641 | |
| 485 | G | A | 0.0000 | |
| 486 | G | A | -0.7957 | |
| 487 | G | A | -0.7565 | |
| 488 | T | A | 0.0000 | |
| 489 | K | A | -1.4122 | |
| 490 | V | A | 0.0000 | |
| 491 | E | A | -1.6157 | |
| 492 | I | A | -1.4651 | |
| 493 | K | A | -1.7279 | |
| 494 | A | A | -0.8091 |
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