| Chain sequence(s) |
B: QVQLVQSGVEVKKPGASVKVSCKASGYTFTNYYMYWVRQAPGQGLEWMGGINPSNGGTNFNEKFKNRVTLTTDSSTTTAYMELKSLQFDDTAVYYCARRDYRFDMGFDYWGQGTTVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESKYGPPCPPCEFLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSQEDPEVQFNWYVDGVEVHNAKTKPREEQFNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKGLPSSIEKTISKAKGQPREPQVYTLPPSQEEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSRLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLS
input PDB |
| Selected Chain(s) | B |
| 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 B 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 (00:03:17)
[INFO] Main: Simulation completed successfully. (00:03:20)
|
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 | B | -1.3834 | |
| 2 | V | B | -0.7588 | |
| 3 | Q | B | -0.6751 | |
| 4 | L | B | 0.0000 | |
| 5 | V | B | 0.8129 | |
| 6 | Q | B | 0.0000 | |
| 7 | S | B | -0.3126 | |
| 8 | G | B | -0.4667 | |
| 9 | V | B | -0.4170 | |
| 10 | E | B | -0.7825 | |
| 11 | V | B | -0.4414 | |
| 12 | K | B | -1.2176 | |
| 13 | K | B | -1.9356 | |
| 14 | P | B | -1.3600 | |
| 15 | G | B | -1.3070 | |
| 16 | A | B | -1.4473 | |
| 17 | S | B | -1.8250 | |
| 18 | V | B | 0.0000 | |
| 19 | K | B | -2.2646 | |
| 20 | V | B | 0.0000 | |
| 21 | S | B | -0.4132 | |
| 22 | C | B | 0.0000 | |
| 23 | K | B | -0.3602 | |
| 24 | A | B | 0.0000 | |
| 25 | S | B | -0.5687 | |
| 26 | G | B | -0.9016 | |
| 27 | Y | B | -0.4678 | |
| 28 | T | B | -0.3943 | |
| 29 | F | B | 0.0000 | |
| 30 | T | B | -0.6918 | |
| 31 | N | B | -1.2535 | |
| 32 | Y | B | -0.0810 | |
| 33 | Y | B | -0.1220 | |
| 34 | M | B | 0.0000 | |
| 35 | Y | B | 0.3782 | |
| 36 | W | B | 0.0000 | |
| 37 | V | B | 0.0000 | |
| 38 | R | B | 0.0000 | |
| 39 | Q | B | -0.4290 | |
| 40 | A | B | -0.9825 | |
| 41 | P | B | -1.2232 | |
| 42 | G | B | -1.3393 | |
| 43 | Q | B | -1.5639 | |
| 44 | G | B | -0.6593 | |
| 45 | L | B | 0.8645 | |
| 46 | E | B | 0.2148 | |
| 47 | W | B | 0.4442 | |
| 48 | M | B | 0.0000 | |
| 49 | G | B | 0.0000 | |
| 50 | G | B | 0.0000 | |
| 51 | I | B | 0.0000 | |
| 52 | N | B | 0.0000 | |
| 53 | P | B | -0.8697 | |
| 54 | S | B | -1.0935 | |
| 55 | N | B | -1.6602 | |
| 56 | G | B | -1.1823 | |
| 57 | G | B | -1.1295 | |
| 58 | T | B | -0.9338 | |
| 59 | N | B | -1.6668 | |
| 60 | F | B | -1.7710 | |
| 61 | N | B | -2.2346 | |
| 62 | E | B | -3.6656 | |
| 63 | K | B | -3.2459 | |
| 64 | F | B | 0.0000 | |
| 65 | K | B | -3.6860 | |
| 66 | N | B | -2.9322 | |
| 67 | R | B | -2.4352 | |
| 68 | V | B | 0.0000 | |
| 69 | T | B | -1.1929 | |
| 70 | L | B | 0.0000 | |
| 71 | T | B | -0.3853 | |
| 72 | T | B | -0.6559 | |
| 73 | D | B | -0.9402 | |
| 74 | S | B | -0.7176 | |
| 75 | S | B | -0.5549 | |
| 76 | T | B | -0.5738 | |
| 77 | T | B | -0.5873 | |
| 78 | T | B | 0.0000 | |
| 79 | A | B | 0.0000 | |
| 80 | Y | B | -0.6194 | |
| 81 | M | B | 0.0000 | |
| 82 | E | B | -1.8647 | |
| 83 | L | B | 0.0000 | |
| 84 | K | B | -2.3837 | |
| 85 | S | B | -1.6189 | |
| 86 | L | B | 0.0000 | |
| 87 | Q | B | -1.0117 | |
| 88 | F | B | 0.3302 | |
| 89 | D | B | -1.1303 | |
| 90 | D | B | 0.0000 | |
| 91 | T | B | -0.3171 | |
| 92 | A | B | 0.0000 | |
| 93 | V | B | 0.2108 | |
| 94 | Y | B | 0.0000 | |
| 95 | Y | B | 0.3713 | |
| 96 | C | B | 0.0000 | |
| 97 | A | B | 0.0000 | |
| 98 | R | B | 0.0000 | |
| 99 | R | B | -0.2466 | |
| 100 | D | B | -0.4054 | |
| 101 | Y | B | 0.0348 | |
| 102 | R | B | -0.9231 | |
| 103 | F | B | 0.6426 | |
| 104 | D | B | -0.7429 | |
| 105 | M | B | 0.2424 | |
| 106 | G | B | -0.1860 | |
| 107 | F | B | 0.0309 | |
| 108 | D | B | -0.9256 | |
| 109 | Y | B | 0.0947 | |
| 110 | W | B | 0.4365 | |
| 111 | G | B | 0.0216 | |
| 112 | Q | B | -0.7454 | |
| 113 | G | B | -0.2712 | |
| 114 | T | B | 0.0000 | |
| 115 | T | B | -0.1563 | |
| 116 | V | B | 0.0000 | |
| 117 | T | B | 0.0000 | |
| 118 | V | B | 0.0000 | |
| 119 | S | B | -0.6260 | |
| 120 | S | B | -0.6966 | |
| 121 | A | B | -0.5049 | |
| 122 | S | B | -0.5294 | |
| 123 | T | B | -0.4664 | |
| 124 | K | B | -1.0132 | |
| 125 | G | B | -1.4793 | |
| 126 | P | B | -0.6268 | |
| 127 | S | B | -0.0864 | |
| 128 | V | B | 0.0000 | |
| 129 | F | B | 0.8571 | |
| 130 | P | B | 0.2273 | |
| 131 | L | B | 0.7140 | |
| 132 | A | B | 0.2765 | |
| 133 | P | B | -0.0115 | |
| 134 | C | B | 0.3610 | |
| 135 | S | B | -0.3906 | |
| 136 | R | B | -1.2926 | |
| 137 | S | B | -1.1785 | |
| 138 | T | B | -1.3557 | |
| 139 | S | B | -1.6680 | |
| 140 | E | B | -2.4514 | |
| 141 | S | B | -1.3296 | |
| 142 | T | B | -0.9002 | |
| 143 | A | B | 0.0000 | |
| 144 | A | B | 0.0235 | |
| 145 | L | B | 0.0000 | |
| 146 | G | B | 0.0000 | |
| 147 | C | B | 0.0000 | |
| 148 | L | B | 0.6901 | |
| 149 | V | B | 0.0000 | |
| 150 | K | B | -0.2278 | |
| 151 | D | B | -0.3333 | |
| 152 | Y | B | 0.0000 | |
| 153 | F | B | -0.1503 | |
| 154 | P | B | 0.0000 | |
| 155 | E | B | -0.5960 | |
| 156 | P | B | -0.7788 | |
| 157 | V | B | 0.0000 | |
| 158 | T | B | -0.8791 | |
| 159 | V | B | -0.4657 | |
| 160 | S | B | -0.4964 | |
| 161 | W | B | 0.0000 | |
| 162 | N | B | -1.0726 | |
| 163 | S | B | -0.7613 | |
| 164 | G | B | -0.5721 | |
| 165 | A | B | -0.2475 | |
| 166 | L | B | -0.0866 | |
| 167 | T | B | -0.2774 | |
| 168 | S | B | -0.3389 | |
| 169 | G | B | -0.3982 | |
| 170 | V | B | 0.1170 | |
| 171 | H | B | -0.3001 | |
| 172 | T | B | 0.2303 | |
| 173 | F | B | 0.9357 | |
| 174 | P | B | 0.6601 | |
| 175 | A | B | 1.2240 | |
| 176 | V | B | 2.4470 | |
| 177 | L | B | 2.1810 | |
| 178 | Q | B | 0.6540 | |
| 179 | S | B | 0.0573 | |
| 180 | S | B | -0.2372 | |
| 181 | G | B | 0.2005 | |
| 182 | L | B | 0.3744 | |
| 183 | Y | B | 0.8611 | |
| 184 | S | B | 0.0000 | |
| 185 | L | B | 0.0000 | |
| 186 | S | B | 0.6470 | |
| 187 | S | B | 0.0000 | |
| 188 | V | B | 0.4972 | |
| 189 | V | B | 0.0000 | |
| 190 | T | B | -0.1854 | |
| 191 | V | B | 0.0000 | |
| 192 | P | B | -0.6953 | |
| 193 | S | B | -1.0302 | |
| 194 | S | B | -0.6049 | |
| 195 | S | B | -0.8705 | |
| 196 | L | B | 0.0000 | |
| 197 | G | B | -0.9679 | |
| 198 | T | B | -1.0518 | |
| 199 | K | B | -1.7761 | |
| 200 | T | B | -1.5635 | |
| 201 | Y | B | 0.0000 | |
| 202 | T | B | -1.7989 | |
| 203 | C | B | 0.0000 | |
| 204 | N | B | -1.8874 | |
| 205 | V | B | 0.0000 | |
| 206 | D | B | -2.6294 | |
| 207 | H | B | 0.0000 | |
| 208 | K | B | -2.9677 | |
| 209 | P | B | -1.5895 | |
| 210 | S | B | -1.8364 | |
| 211 | N | B | -2.6630 | |
| 212 | T | B | -2.2615 | |
| 213 | K | B | -2.9989 | |
| 214 | V | B | -2.0019 | |
| 215 | D | B | -2.9338 | |
| 216 | K | B | -2.3693 | |
| 217 | R | B | -2.5627 | |
| 218 | V | B | 0.0000 | |
| 219 | E | B | -1.4548 | |
| 220 | S | B | -1.5740 | |
| 221 | K | B | -1.7748 | |
| 222 | Y | B | 0.2407 | |
| 223 | G | B | -0.4582 | |
| 224 | P | B | -0.5247 | |
| 225 | P | B | -0.4672 | |
| 226 | C | B | -0.1048 | |
| 227 | P | B | 0.0138 | |
| 228 | P | B | 0.1705 | |
| 229 | C | B | 0.6310 | |
| 233 | E | B | -0.9581 | |
| 234 | F | B | 1.6207 | |
| 235 | L | B | 1.4420 | |
| 236 | G | B | 0.3099 | |
| 237 | G | B | 0.0546 | |
| 238 | P | B | -0.1586 | |
| 239 | S | B | -0.0688 | |
| 240 | V | B | 0.0000 | |
| 241 | F | B | 1.2974 | |
| 242 | L | B | 0.0000 | |
| 243 | F | B | 1.1426 | |
| 244 | P | B | -0.1834 | |
| 245 | P | B | -1.4120 | |
| 246 | K | B | -2.7945 | |
| 247 | P | B | -2.5796 | |
| 248 | K | B | -2.9632 | |
| 249 | D | B | -2.5971 | |
| 250 | T | B | -0.7168 | |
| 251 | L | B | 1.5440 | |
| 252 | M | B | 2.2434 | |
| 253 | I | B | 2.0291 | |
| 254 | S | B | 0.3155 | |
| 255 | R | B | -0.9595 | |
| 256 | T | B | -0.7531 | |
| 257 | P | B | -1.2103 | |
| 258 | E | B | -1.1839 | |
| 259 | V | B | 0.0000 | |
| 260 | T | B | 0.0862 | |
| 261 | C | B | 0.0000 | |
| 262 | V | B | 0.8767 | |
| 263 | V | B | 0.0000 | |
| 264 | V | B | -0.0684 | |
| 265 | D | B | -0.6894 | |
| 266 | V | B | 0.0000 | |
| 267 | S | B | -1.7316 | |
| 268 | Q | B | -2.7431 | |
| 269 | E | B | -3.2327 | |
| 270 | D | B | -2.7823 | |
| 271 | P | B | -2.9740 | |
| 272 | E | B | -3.2785 | |
| 273 | V | B | -2.0141 | |
| 274 | Q | B | -1.7893 | |
| 275 | F | B | -0.8346 | |
| 276 | N | B | -1.0914 | |
| 277 | W | B | 0.0000 | |
| 278 | Y | B | -0.6907 | |
| 279 | V | B | 0.0000 | |
| 280 | D | B | -1.2025 | |
| 281 | G | B | -0.6125 | |
| 282 | V | B | 0.4609 | |
| 283 | E | B | -0.8443 | |
| 284 | V | B | -0.8105 | |
| 285 | H | B | -1.9260 | |
| 286 | N | B | -2.1470 | |
| 287 | A | B | -1.8827 | |
| 288 | K | B | -2.4044 | |
| 289 | T | B | -1.8555 | |
| 290 | K | B | -2.3860 | |
| 291 | P | B | -2.2841 | |
| 292 | R | B | -3.8105 | |
| 293 | E | B | -3.8580 | |
| 294 | E | B | -3.3803 | |
| 295 | Q | B | -2.0167 | |
| 296 | F | B | -0.3014 | |
| 297 | N | B | -1.0354 | |
| 298 | S | B | -1.0727 | |
| 299 | T | B | 0.0000 | |
| 300 | Y | B | -2.4904 | |
| 301 | R | B | -2.1768 | |
| 302 | V | B | 0.0000 | |
| 303 | V | B | -0.8219 | |
| 304 | S | B | 0.0000 | |
| 305 | V | B | 0.0000 | |
| 306 | L | B | 0.0000 | |
| 307 | T | B | -0.6839 | |
| 308 | V | B | -0.2643 | |
| 309 | L | B | -0.4470 | |
| 310 | H | B | -1.4022 | |
| 311 | Q | B | -1.4880 | |
| 312 | D | B | 0.0000 | |
| 313 | W | B | -0.4513 | |
| 314 | L | B | -0.3381 | |
| 315 | N | B | 0.0000 | |
| 316 | G | B | -1.3090 | |
| 317 | K | B | 0.0000 | |
| 318 | E | B | -1.6629 | |
| 319 | Y | B | 0.0000 | |
| 320 | K | B | -1.4135 | |
| 321 | C | B | 0.0000 | |
| 322 | K | B | -1.1882 | |
| 323 | V | B | 0.0000 | |
| 324 | S | B | -1.2508 | |
| 325 | N | B | 0.0000 | |
| 326 | K | B | -2.8554 | |
| 327 | G | B | -2.0897 | |
| 328 | L | B | -0.7680 | |
| 329 | P | B | -0.7393 | |
| 330 | S | B | -0.5466 | |
| 331 | S | B | -0.6805 | |
| 332 | I | B | -0.7684 | |
| 333 | E | B | -1.6092 | |
| 334 | K | B | -1.1062 | |
| 335 | T | B | -0.8008 | |
| 336 | I | B | -0.3194 | |
| 337 | S | B | -0.9235 | |
| 338 | K | B | -1.3086 | |
| 339 | A | B | -1.1250 | |
| 340 | K | B | -2.1036 | |
| 341 | G | B | -1.5105 | |
| 342 | Q | B | -1.7003 | |
| 343 | P | B | -1.6849 | |
| 344 | R | B | -1.9387 | |
| 345 | E | B | -2.8168 | |
| 346 | P | B | 0.0000 | |
| 347 | Q | B | -1.3068 | |
| 348 | V | B | -0.4418 | |
| 349 | Y | B | 0.4948 | |
| 350 | T | B | 0.3335 | |
| 351 | L | B | 0.5679 | |
| 352 | P | B | -0.1008 | |
| 353 | P | B | -0.8282 | |
| 354 | S | B | -1.4153 | |
| 355 | Q | B | -2.2615 | |
| 356 | E | B | -2.7882 | |
| 357 | E | B | -2.3770 | |
| 358 | M | B | -2.0929 | |
| 359 | T | B | -1.9076 | |
| 360 | K | B | -2.8688 | |
| 361 | N | B | -2.9761 | |
| 362 | Q | B | -2.9363 | |
| 363 | V | B | 0.0000 | |
| 364 | S | B | -0.7632 | |
| 365 | L | B | 0.0000 | |
| 366 | T | B | 0.0829 | |
| 367 | C | B | 0.0000 | |
| 368 | L | B | 0.5354 | |
| 369 | V | B | 0.0000 | |
| 370 | K | B | -0.5297 | |
| 371 | G | B | -1.1096 | |
| 372 | F | B | 0.0000 | |
| 373 | Y | B | 0.0000 | |
| 374 | P | B | -1.3115 | |
| 375 | S | B | -0.7062 | |
| 376 | D | B | -1.9072 | |
| 377 | I | B | -0.8727 | |
| 378 | A | B | -0.1714 | |
| 379 | V | B | 0.0000 | |
| 380 | E | B | -1.3211 | |
| 381 | W | B | 0.0000 | |
| 382 | E | B | -1.6979 | |
| 383 | S | B | 0.0000 | |
| 384 | N | B | -1.7829 | |
| 385 | G | B | -1.7357 | |
| 386 | Q | B | -2.1488 | |
| 387 | P | B | -1.9041 | |
| 388 | E | B | -2.0134 | |
| 389 | N | B | -2.4168 | |
| 390 | N | B | -2.3008 | |
| 391 | Y | B | -1.8817 | |
| 392 | K | B | -2.2816 | |
| 393 | T | B | -1.0052 | |
| 394 | T | B | -0.2872 | |
| 395 | P | B | -0.0807 | |
| 396 | P | B | 0.4494 | |
| 397 | V | B | 1.4825 | |
| 398 | L | B | 0.9079 | |
| 399 | D | B | -0.2806 | |
| 400 | S | B | -0.8758 | |
| 401 | D | B | -1.7510 | |
| 402 | G | B | 0.0000 | |
| 403 | S | B | 0.0000 | |
| 404 | F | B | 0.2636 | |
| 405 | F | B | 0.6995 | |
| 406 | L | B | 0.0000 | |
| 407 | Y | B | 0.4576 | |
| 408 | S | B | 0.0000 | |
| 409 | R | B | -1.4650 | |
| 410 | L | B | 0.0000 | |
| 411 | T | B | -1.5298 | |
| 412 | V | B | 0.0000 | |
| 413 | D | B | -3.0332 | |
| 414 | K | B | -2.9099 | |
| 415 | S | B | -2.3406 | |
| 416 | R | B | -2.1260 | |
| 417 | W | B | 0.0000 | |
| 418 | Q | B | -2.3667 | |
| 419 | Q | B | -2.1038 | |
| 420 | G | B | -1.3066 | |
| 421 | N | B | -0.9217 | |
| 422 | V | B | -0.1484 | |
| 423 | F | B | 0.0000 | |
| 424 | S | B | 0.0000 | |
| 425 | C | B | 0.0000 | |
| 426 | S | B | 0.0000 | |
| 427 | V | B | 0.0000 | |
| 428 | M | B | -0.7723 | |
| 429 | H | B | 0.0000 | |
| 430 | E | B | -2.7733 | |
| 431 | A | B | -2.1337 | |
| 432 | L | B | -1.9796 | |
| 433 | H | B | -2.1560 | |
| 434 | N | B | -2.2112 | |
| 435 | H | B | -2.2025 | |
| 436 | Y | B | -0.9554 | |
| 437 | T | B | -0.9611 | |
| 438 | Q | B | -1.2249 | |
| 439 | K | B | -1.1685 | |
| 440 | S | B | -0.5845 | |
| 441 | L | B | 0.0000 | |
| 442 | S | B | -0.1415 | |
| 443 | L | B | -0.2094 | |
| 444 | S | B | -0.1910 |
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