| Chain sequence(s) |
B: SPYSLSASVGDRVTITCKASKSINKYLAWFQQKPGKPNKLLIYDGSTLQSGVPSRFSGSGSGTDFTLTISSLEPEDFATYYCQQHNEYPPTFGQGTKLEIKGGGGSGGGGSGGGGSQVQLVQSGSELKKPGESVKVSCKASGYTFTDYLVHWVRQAPGQGLEWMGWINTYTGTPTYADDFEGRFVFSLDTSVSTANLQISSLKAEDTAVYFCARSWRRGLRGIGFDYWGQGTLVTVSSGGGGSGGGGSGGGGSDIKLQQSGAELARPGASVKMSCKTSGYTFTRYTMHWVKQRPGQGLEWIGYINPSRGYTNYNQKFKDKATLTTDKSSSTAYMQLSSLTSEDSAVYYCARYYDDHYCLDYWGQGTTLTVSSVEGGSGGSGGSGGSGGVDDIQLTQSPAIMSASPGEKVTMTCRASSSVSYMNWYQQKSGTSPKRWIYDTSKVASGVPYRFSGSGSGTSYSLTISSMEAEDAATYYCQQWSSNPLTFGAGTKLELK
input PDB |
| Selected Chain(s) | B |
| Distance of aggregation | 10 Å |
| FoldX usage | No |
| 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] runJob: FoldX not utilized. Treating input pdb file as it was already optimized. (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:00:01)
[INFO] Main: Simulation completed successfully. (00:00:05)
|
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 | |
| 8 | S | B | -0.8361 | |
| 9 | P | B | -0.0830 | |
| 10 | Y | B | 1.3103 | |
| 11 | S | B | 0.7171 | |
| 12 | L | B | 1.2725 | |
| 13 | S | B | -0.2158 | |
| 14 | A | B | -0.6926 | |
| 15 | S | B | -1.1480 | |
| 16 | V | B | -1.2189 | |
| 17 | G | B | 0.0000 | |
| 18 | D | B | -1.6090 | |
| 19 | R | B | -2.2170 | |
| 20 | V | B | 0.0000 | |
| 21 | T | B | -0.0670 | |
| 22 | I | B | 0.0000 | |
| 23 | T | B | 0.0000 | |
| 24 | C | B | 0.0000 | |
| 25 | K | B | -2.1406 | |
| 26 | A | B | -1.1483 | |
| 27 | S | B | -1.1660 | |
| 28 | K | B | -1.4566 | |
| 29 | S | B | -0.3705 | |
| 30 | I | B | 0.9287 | |
| 31 | N | B | -0.3736 | |
| 32 | K | B | -0.3711 | |
| 33 | Y | B | 0.8188 | |
| 34 | L | B | 0.1390 | |
| 35 | A | B | 0.0000 | |
| 36 | W | B | 0.0000 | |
| 37 | F | B | 0.0000 | |
| 38 | Q | B | 0.0000 | |
| 39 | Q | B | -1.0679 | |
| 40 | K | B | 0.0000 | |
| 41 | P | B | -1.0939 | |
| 42 | G | B | -1.4464 | |
| 43 | K | B | -2.1758 | |
| 44 | P | B | -1.2577 | |
| 45 | N | B | 0.0000 | |
| 46 | K | B | -1.1241 | |
| 47 | L | B | 0.0000 | |
| 48 | L | B | 0.0000 | |
| 49 | I | B | 0.0000 | |
| 50 | Y | B | 0.1191 | |
| 51 | D | B | -0.5264 | |
| 52 | G | B | -0.6320 | |
| 53 | S | B | -0.4011 | |
| 54 | T | B | -0.1780 | |
| 55 | L | B | 0.1052 | |
| 56 | Q | B | -0.4081 | |
| 57 | S | B | -0.7713 | |
| 58 | G | B | -0.8722 | |
| 59 | V | B | 0.0000 | |
| 60 | P | B | -0.3433 | |
| 61 | S | B | -0.3623 | |
| 62 | R | B | 0.0000 | |
| 63 | F | B | 0.0000 | |
| 64 | S | B | -0.4283 | |
| 65 | G | B | -0.5902 | |
| 66 | S | B | -0.8877 | |
| 67 | G | B | -1.2938 | |
| 68 | S | B | -1.0589 | |
| 69 | G | B | -0.9869 | |
| 70 | T | B | -0.9465 | |
| 71 | D | B | -1.5755 | |
| 72 | F | B | 0.0000 | |
| 73 | T | B | -0.6721 | |
| 74 | L | B | 0.0000 | |
| 75 | T | B | -0.5495 | |
| 76 | I | B | 0.0000 | |
| 77 | S | B | -1.2101 | |
| 78 | S | B | 0.0000 | |
| 79 | L | B | 0.0000 | |
| 80 | E | B | 0.0000 | |
| 81 | P | B | -1.1240 | |
| 82 | E | B | -1.3612 | |
| 83 | D | B | 0.0000 | |
| 84 | F | B | -0.6078 | |
| 85 | A | B | 0.0000 | |
| 86 | T | B | -0.9656 | |
| 87 | Y | B | 0.0000 | |
| 88 | Y | B | 0.0000 | |
| 89 | C | B | 0.0000 | |
| 90 | Q | B | 0.0000 | |
| 91 | Q | B | 0.0000 | |
| 92 | H | B | -0.5408 | |
| 93 | N | B | -1.0663 | |
| 94 | E | B | -1.5107 | |
| 95 | Y | B | 0.1500 | |
| 96 | P | B | -0.1911 | |
| 97 | P | B | 0.0000 | |
| 98 | T | B | -0.5607 | |
| 99 | F | B | -0.2927 | |
| 100 | G | B | -0.9454 | |
| 101 | Q | B | -1.3271 | |
| 102 | G | B | -1.1832 | |
| 103 | T | B | -0.7787 | |
| 104 | K | B | -1.3151 | |
| 105 | L | B | 0.0000 | |
| 106 | E | B | -0.9200 | |
| 107 | I | B | 0.0000 | |
| 108 | K | B | -2.0231 | |
| 109 | G | B | -1.3626 | |
| 110 | G | B | -1.2603 | |
| 111 | G | B | -0.8877 | |
| 112 | G | B | -1.1416 | |
| 113 | S | B | 0.0000 | |
| 114 | G | B | -1.5079 | |
| 115 | G | B | -1.3959 | |
| 116 | G | B | -1.2330 | |
| 117 | G | B | -1.3485 | |
| 118 | S | B | -0.8450 | |
| 119 | G | B | -0.7475 | |
| 120 | G | B | -0.8661 | |
| 121 | G | B | -0.8997 | |
| 122 | G | B | -1.0883 | |
| 123 | S | B | -1.0767 | |
| 124 | Q | B | 0.0000 | |
| 125 | V | B | -0.0102 | |
| 126 | Q | B | 0.0000 | |
| 127 | L | B | -0.1608 | |
| 128 | V | B | 0.0000 | |
| 129 | Q | B | -1.6775 | |
| 130 | S | B | -0.8616 | |
| 131 | G | B | -0.7419 | |
| 132 | S | B | 0.0233 | |
| 133 | E | B | -0.0551 | |
| 134 | L | B | 0.8831 | |
| 135 | K | B | -0.9944 | |
| 136 | K | B | -1.7873 | |
| 137 | P | B | -1.9319 | |
| 138 | G | B | -1.6457 | |
| 139 | E | B | -1.8725 | |
| 140 | S | B | -1.3860 | |
| 141 | V | B | 0.0000 | |
| 142 | K | B | -1.8560 | |
| 143 | V | B | 0.0000 | |
| 144 | S | B | -0.9221 | |
| 145 | C | B | 0.0000 | |
| 146 | K | B | -1.0087 | |
| 147 | A | B | 0.0000 | |
| 148 | S | B | 0.0000 | |
| 149 | G | B | 0.0000 | |
| 150 | Y | B | 2.0016 | |
| 151 | T | B | 0.0000 | |
| 152 | F | B | 2.3029 | |
| 153 | T | B | 0.6553 | |
| 154 | D | B | -0.5234 | |
| 155 | Y | B | 0.0000 | |
| 156 | L | B | 0.1790 | |
| 157 | V | B | 0.0000 | |
| 158 | H | B | 0.0000 | |
| 159 | W | B | 0.0000 | |
| 160 | V | B | 0.0000 | |
| 161 | R | B | 0.0000 | |
| 162 | Q | B | -0.4638 | |
| 163 | A | B | 0.0000 | |
| 164 | P | B | -0.8738 | |
| 165 | G | B | -1.3606 | |
| 166 | Q | B | -1.9570 | |
| 167 | G | B | 0.0000 | |
| 168 | L | B | 0.0000 | |
| 169 | E | B | 0.0000 | |
| 170 | W | B | 0.0000 | |
| 171 | M | B | 0.0000 | |
| 172 | G | B | 0.0000 | |
| 173 | W | B | -0.1938 | |
| 174 | I | B | 0.0000 | |
| 175 | N | B | -0.4459 | |
| 176 | T | B | 0.0305 | |
| 177 | Y | B | 0.5194 | |
| 178 | T | B | 0.0000 | |
| 179 | G | B | -0.3843 | |
| 180 | T | B | -0.2460 | |
| 181 | P | B | -0.9482 | |
| 182 | T | B | -0.3570 | |
| 183 | Y | B | -0.6484 | |
| 184 | A | B | 0.0000 | |
| 185 | D | B | -2.6493 | |
| 186 | D | B | -2.8275 | |
| 187 | F | B | -1.6675 | |
| 188 | E | B | -1.1946 | |
| 189 | G | B | -0.8642 | |
| 190 | R | B | -0.8172 | |
| 191 | F | B | 0.0000 | |
| 192 | V | B | 0.1082 | |
| 193 | F | B | 0.0000 | |
| 194 | S | B | -0.0168 | |
| 195 | L | B | 0.4138 | |
| 196 | D | B | -1.1021 | |
| 197 | T | B | 0.0000 | |
| 198 | S | B | 0.3910 | |
| 199 | V | B | 1.9763 | |
| 200 | S | B | 0.8033 | |
| 201 | T | B | 0.0023 | |
| 202 | A | B | 0.0000 | |
| 203 | N | B | -0.8073 | |
| 204 | L | B | 0.0000 | |
| 205 | Q | B | -0.6892 | |
| 206 | I | B | 0.0000 | |
| 207 | S | B | -1.0733 | |
| 208 | S | B | -1.2754 | |
| 209 | L | B | 0.0000 | |
| 210 | K | B | -2.1864 | |
| 211 | A | B | -1.4418 | |
| 212 | E | B | -1.2986 | |
| 213 | D | B | 0.0000 | |
| 214 | T | B | 0.0000 | |
| 215 | A | B | 0.0000 | |
| 216 | V | B | 0.3801 | |
| 217 | Y | B | 0.0000 | |
| 218 | F | B | 0.0000 | |
| 219 | C | B | 0.0000 | |
| 220 | A | B | 0.0000 | |
| 221 | R | B | 0.0000 | |
| 222 | S | B | 0.0000 | |
| 223 | W | B | 0.9877 | |
| 224 | R | B | 0.0000 | |
| 225 | R | B | 0.0440 | |
| 226 | G | B | 0.0940 | |
| 227 | L | B | 1.0048 | |
| 228 | R | B | -0.0315 | |
| 229 | G | B | -0.2510 | |
| 230 | I | B | 0.3303 | |
| 231 | G | B | 0.0000 | |
| 232 | F | B | 0.0000 | |
| 233 | D | B | 0.0000 | |
| 234 | Y | B | 0.0985 | |
| 235 | W | B | 0.0000 | |
| 236 | G | B | 0.0000 | |
| 237 | Q | B | -1.3949 | |
| 238 | G | B | -0.7422 | |
| 239 | T | B | 0.0000 | |
| 240 | L | B | 0.6041 | |
| 241 | V | B | 0.0000 | |
| 242 | T | B | 0.1215 | |
| 243 | V | B | -0.5436 | |
| 244 | S | B | -0.4388 | |
| 245 | S | B | -0.8421 | |
| 246 | G | B | -1.0239 | |
| 247 | G | B | -1.4482 | |
| 248 | G | B | -1.2081 | |
| 249 | G | B | -1.0152 | |
| 250 | S | B | -1.0335 | |
| 251 | G | B | -1.2000 | |
| 252 | G | B | -1.0630 | |
| 253 | G | B | -1.2706 | |
| 254 | G | B | -1.1656 | |
| 255 | S | B | -1.2894 | |
| 256 | G | B | -1.2110 | |
| 257 | G | B | -1.4556 | |
| 258 | G | B | -1.0070 | |
| 259 | G | B | -0.9937 | |
| 260 | S | B | -1.0625 | |
| 261 | D | B | -1.3768 | |
| 262 | I | B | -1.1111 | |
| 263 | K | B | -2.4238 | |
| 264 | L | B | 0.0000 | |
| 265 | Q | B | -2.3867 | |
| 266 | Q | B | 0.0000 | |
| 267 | S | B | -1.2068 | |
| 268 | G | B | -0.7921 | |
| 269 | A | B | -0.2108 | |
| 270 | E | B | -0.3755 | |
| 271 | L | B | 0.7482 | |
| 272 | A | B | -0.5046 | |
| 273 | R | B | -1.5986 | |
| 274 | P | B | -1.5245 | |
| 275 | G | B | -0.9791 | |
| 276 | A | B | -0.6392 | |
| 277 | S | B | -0.9822 | |
| 278 | V | B | 0.0000 | |
| 279 | K | B | -1.7935 | |
| 280 | M | B | 0.0000 | |
| 281 | S | B | -1.0207 | |
| 282 | C | B | 0.0000 | |
| 283 | K | B | -2.4289 | |
| 284 | T | B | 0.0000 | |
| 285 | S | B | -1.3775 | |
| 286 | G | B | -1.0202 | |
| 287 | Y | B | -0.5576 | |
| 288 | T | B | -0.6085 | |
| 289 | F | B | 0.0000 | |
| 290 | T | B | -1.7167 | |
| 291 | R | B | -1.9814 | |
| 292 | Y | B | -0.9220 | |
| 293 | T | B | -0.0837 | |
| 294 | M | B | 0.0000 | |
| 295 | H | B | 0.0000 | |
| 296 | W | B | 0.0000 | |
| 297 | V | B | 0.0000 | |
| 298 | K | B | 0.0000 | |
| 299 | Q | B | -0.6031 | |
| 300 | R | B | -1.1426 | |
| 301 | P | B | -1.1379 | |
| 302 | G | B | -1.4129 | |
| 303 | Q | B | -1.9352 | |
| 304 | G | B | -1.3165 | |
| 305 | L | B | 0.0000 | |
| 306 | E | B | 0.0000 | |
| 307 | W | B | 0.0000 | |
| 308 | I | B | 0.0000 | |
| 309 | G | B | 0.0000 | |
| 310 | Y | B | 0.3596 | |
| 311 | I | B | 0.0000 | |
| 312 | N | B | -0.8232 | |
| 313 | P | B | 0.0000 | |
| 314 | S | B | -1.7757 | |
| 315 | R | B | -2.0564 | |
| 316 | G | B | -0.9062 | |
| 317 | Y | B | 0.4455 | |
| 318 | T | B | 0.2052 | |
| 319 | N | B | -0.0534 | |
| 320 | Y | B | -0.2211 | |
| 321 | N | B | 0.0000 | |
| 322 | Q | B | 0.0000 | |
| 323 | K | B | -0.8176 | |
| 324 | F | B | 0.0000 | |
| 325 | K | B | -1.4822 | |
| 326 | D | B | -1.4799 | |
| 327 | K | B | 0.0000 | |
| 328 | A | B | 0.0000 | |
| 329 | T | B | -0.5607 | |
| 330 | L | B | 0.0000 | |
| 331 | T | B | -0.2521 | |
| 332 | T | B | -0.9624 | |
| 333 | D | B | -1.7296 | |
| 334 | K | B | -2.4101 | |
| 335 | S | B | -1.3094 | |
| 336 | S | B | -1.2351 | |
| 337 | S | B | -1.5092 | |
| 338 | T | B | 0.0000 | |
| 339 | A | B | 0.0000 | |
| 340 | Y | B | -0.5997 | |
| 341 | M | B | 0.0000 | |
| 342 | Q | B | -1.2114 | |
| 343 | L | B | 0.0000 | |
| 344 | S | B | -0.6929 | |
| 345 | S | B | -0.6096 | |
| 346 | L | B | 0.0000 | |
| 347 | T | B | 0.0000 | |
| 348 | S | B | -1.2408 | |
| 349 | E | B | -1.5597 | |
| 350 | D | B | 0.0000 | |
| 351 | S | B | -0.4247 | |
| 352 | A | B | 0.0000 | |
| 353 | V | B | 0.0469 | |
| 354 | Y | B | 0.0000 | |
| 355 | Y | B | 0.0000 | |
| 356 | C | B | 0.0000 | |
| 357 | A | B | 0.0000 | |
| 358 | R | B | 0.0000 | |
| 359 | Y | B | -0.0471 | |
| 360 | Y | B | -0.9740 | |
| 361 | D | B | -2.3685 | |
| 362 | D | B | -2.3509 | |
| 363 | H | B | 0.0000 | |
| 364 | Y | B | -0.3524 | |
| 365 | C | B | 0.0000 | |
| 366 | L | B | 0.0000 | |
| 367 | D | B | 0.0000 | |
| 368 | Y | B | -0.2572 | |
| 369 | W | B | -0.7044 | |
| 370 | G | B | 0.0000 | |
| 371 | Q | B | -1.9418 | |
| 372 | G | B | -1.0208 | |
| 373 | T | B | 0.0000 | |
| 374 | T | B | -0.0596 | |
| 375 | L | B | 0.0000 | |
| 376 | T | B | -0.1461 | |
| 377 | V | B | 0.0000 | |
| 378 | S | B | -0.9523 | |
| 379 | S | B | -0.7129 | |
| 380 | V | B | 0.1179 | |
| 381 | E | B | -1.6700 | |
| 382 | G | B | -1.4898 | |
| 383 | G | B | -1.4117 | |
| 384 | S | B | -1.3138 | |
| 385 | G | B | -1.2746 | |
| 386 | G | B | -0.9433 | |
| 387 | S | B | -1.0332 | |
| 388 | G | B | 0.0000 | |
| 389 | G | B | -1.0765 | |
| 390 | S | B | -0.9488 | |
| 391 | G | B | -1.2752 | |
| 392 | G | B | -1.1020 | |
| 393 | S | B | -1.0104 | |
| 394 | G | B | -1.1467 | |
| 395 | G | B | 0.0000 | |
| 396 | V | B | -1.4966 | |
| 397 | D | B | -2.1282 | |
| 398 | D | B | -1.5767 | |
| 399 | I | B | 0.0000 | |
| 400 | Q | B | -1.0943 | |
| 401 | L | B | 0.0000 | |
| 402 | T | B | -0.8541 | |
| 403 | Q | B | 0.0000 | |
| 404 | S | B | -0.1639 | |
| 405 | P | B | 0.4167 | |
| 406 | A | B | 0.7852 | |
| 407 | I | B | 1.6239 | |
| 408 | M | B | 0.5885 | |
| 409 | S | B | -0.5278 | |
| 410 | A | B | 0.0000 | |
| 411 | S | B | -1.6783 | |
| 412 | P | B | -1.6662 | |
| 413 | G | B | -1.7046 | |
| 414 | E | B | -2.3087 | |
| 415 | K | B | -2.5729 | |
| 416 | V | B | 0.0000 | |
| 417 | T | B | -0.6132 | |
| 418 | M | B | 0.0000 | |
| 419 | T | B | -0.6879 | |
| 420 | C | B | 0.0000 | |
| 421 | R | B | -2.1831 | |
| 422 | A | B | 0.0000 | |
| 423 | S | B | -1.1980 | |
| 424 | S | B | -0.9745 | |
| 425 | S | B | -0.5381 | |
| 426 | V | B | 0.0000 | |
| 427 | S | B | 0.1284 | |
| 428 | Y | B | 0.6633 | |
| 429 | M | B | 0.0000 | |
| 430 | N | B | 0.0000 | |
| 431 | W | B | 0.0000 | |
| 432 | Y | B | 0.0000 | |
| 433 | Q | B | 0.0000 | |
| 434 | Q | B | 0.0000 | |
| 435 | K | B | -1.6312 | |
| 436 | S | B | -0.9250 | |
| 437 | G | B | -1.0004 | |
| 438 | T | B | -1.0911 | |
| 439 | S | B | -0.9567 | |
| 440 | P | B | 0.0000 | |
| 441 | K | B | -0.8314 | |
| 442 | R | B | 0.0000 | |
| 443 | W | B | 0.0056 | |
| 444 | I | B | 0.0000 | |
| 445 | Y | B | -0.0056 | |
| 446 | D | B | -0.2576 | |
| 447 | T | B | -0.3229 | |
| 448 | S | B | -0.7447 | |
| 449 | K | B | -0.9629 | |
| 450 | V | B | 0.4079 | |
| 451 | A | B | 0.0000 | |
| 452 | S | B | -0.2084 | |
| 453 | G | B | -0.2205 | |
| 454 | V | B | 0.2886 | |
| 455 | P | B | 0.4297 | |
| 456 | Y | B | 1.1187 | |
| 457 | R | B | -0.1565 | |
| 458 | F | B | 0.0000 | |
| 459 | S | B | -0.2033 | |
| 460 | G | B | 0.0000 | |
| 461 | S | B | -0.6528 | |
| 462 | G | B | -0.7445 | |
| 463 | S | B | -0.6204 | |
| 464 | G | B | -0.5841 | |
| 465 | T | B | -0.9214 | |
| 466 | S | B | -1.1949 | |
| 467 | Y | B | 0.0000 | |
| 468 | S | B | -0.6269 | |
| 469 | L | B | 0.0000 | |
| 470 | T | B | -0.5968 | |
| 471 | I | B | 0.0000 | |
| 472 | S | B | -1.2415 | |
| 473 | S | B | -1.6858 | |
| 474 | M | B | 0.0000 | |
| 475 | E | B | -1.8975 | |
| 476 | A | B | -1.5149 | |
| 477 | E | B | -2.1890 | |
| 478 | D | B | 0.0000 | |
| 479 | A | B | -1.2223 | |
| 480 | A | B | 0.0000 | |
| 481 | T | B | -0.4169 | |
| 482 | Y | B | 0.0000 | |
| 483 | Y | B | 0.0000 | |
| 484 | C | B | 0.0000 | |
| 485 | Q | B | 0.0000 | |
| 486 | Q | B | 0.0000 | |
| 487 | W | B | 0.3962 | |
| 488 | S | B | -0.1068 | |
| 489 | S | B | -0.4779 | |
| 490 | N | B | -0.6846 | |
| 491 | P | B | -0.4746 | |
| 492 | L | B | -0.1763 | |
| 493 | T | B | -0.3735 | |
| 494 | F | B | 0.0000 | |
| 495 | G | B | 0.0000 | |
| 496 | A | B | -0.6224 | |
| 497 | G | B | 0.0000 | |
| 498 | T | B | 0.0000 | |
| 499 | K | B | -0.1540 | |
| 500 | L | B | 0.0000 | |
| 501 | E | B | -0.9800 | |
| 502 | L | B | -1.3410 | |
| 503 | K | B | -1.7654 |
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