| Chain sequence(s) |
A: QVQLQESGPGLVKPSETLSLTCTVSGGSISAYSVNWIRQPPGKGLEWIGMIWGDGKIVYNSALKSRVTISVDTSKNQFSLKLSSVTAADTAVYYCARDGYYPYAMDNWGQGTTVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESK
B: DIVLTQSPASLAVSPGERATISCRASKSVDSYGRSFMHWYQQKPGQPPKLLIYLASNLESGVPDRFSGSGSGTDFTLTISRVEAEDVAVYYCQQNNEDPRTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC input PDB |
| Selected Chain(s) | A,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 all 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 (00:04:42)
[INFO] Main: Simulation completed successfully. (00:04:45)
|
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 | -1.5472 | |
| 2 | V | A | -1.2828 | |
| 3 | Q | A | -2.0431 | |
| 4 | L | A | 0.0000 | |
| 5 | Q | A | -1.9751 | |
| 6 | E | A | -1.2590 | |
| 7 | S | A | -0.8260 | |
| 8 | G | A | -0.5496 | |
| 9 | P | A | -0.3281 | |
| 10 | G | A | -0.4993 | |
| 11 | L | A | -0.2816 | |
| 12 | V | A | 0.0000 | |
| 13 | K | A | -1.8952 | |
| 14 | P | A | -1.3629 | |
| 15 | S | A | -1.3582 | |
| 16 | E | A | -1.9920 | |
| 17 | T | A | -1.4625 | |
| 18 | L | A | 0.0000 | |
| 19 | S | A | -0.9500 | |
| 20 | L | A | 0.0000 | |
| 21 | T | A | -0.7136 | |
| 22 | C | A | 0.0000 | |
| 23 | T | A | -1.3025 | |
| 24 | V | A | 0.0000 | |
| 25 | S | A | -1.4244 | |
| 26 | G | A | -1.1943 | |
| 27 | G | A | -0.8618 | |
| 28 | S | A | -0.5267 | |
| 29 | I | A | 0.0000 | |
| 30 | S | A | -0.8828 | |
| 31 | A | A | -0.5374 | |
| 32 | Y | A | 0.0000 | |
| 33 | S | A | 0.0000 | |
| 34 | V | A | 0.0000 | |
| 35 | N | A | 0.0000 | |
| 36 | W | A | 0.0000 | |
| 37 | I | A | 0.0000 | |
| 38 | R | A | -0.6511 | |
| 39 | Q | A | -0.9915 | |
| 40 | P | A | -1.0260 | |
| 41 | P | A | -1.1327 | |
| 42 | G | A | -1.5039 | |
| 43 | K | A | -2.3113 | |
| 44 | G | A | -1.4658 | |
| 45 | L | A | 0.0000 | |
| 46 | E | A | -1.1069 | |
| 47 | W | A | 0.0000 | |
| 48 | I | A | 0.0000 | |
| 49 | G | A | 0.0000 | |
| 50 | M | A | 0.0000 | |
| 51 | I | A | 0.0000 | |
| 52 | W | A | -0.7698 | |
| 53 | G | A | -1.1421 | |
| 54 | D | A | -2.2367 | |
| 55 | G | A | -1.5404 | |
| 56 | K | A | -1.4076 | |
| 57 | I | A | 0.3111 | |
| 58 | V | A | 0.0000 | |
| 59 | Y | A | 0.0000 | |
| 60 | N | A | -1.2323 | |
| 61 | S | A | -1.1029 | |
| 62 | A | A | -0.4194 | |
| 63 | L | A | -0.6554 | |
| 64 | K | A | -1.3324 | |
| 65 | S | A | -0.9650 | |
| 66 | R | A | -1.1746 | |
| 67 | V | A | 0.0000 | |
| 68 | T | A | -0.7204 | |
| 69 | I | A | 0.0000 | |
| 70 | S | A | -0.2246 | |
| 71 | V | A | -0.4456 | |
| 72 | D | A | -1.4819 | |
| 73 | T | A | -1.2808 | |
| 74 | S | A | -1.4409 | |
| 75 | K | A | -2.2761 | |
| 76 | N | A | -1.6736 | |
| 77 | Q | A | -1.4584 | |
| 78 | F | A | 0.0000 | |
| 79 | S | A | -0.6351 | |
| 80 | L | A | 0.0000 | |
| 81 | K | A | -1.5582 | |
| 82 | L | A | 0.0000 | |
| 83 | S | A | -1.1190 | |
| 84 | S | A | -0.9994 | |
| 85 | V | A | 0.0000 | |
| 86 | T | A | -0.5380 | |
| 87 | A | A | -0.1834 | |
| 88 | A | A | 0.0596 | |
| 89 | D | A | 0.0000 | |
| 90 | T | A | 0.0019 | |
| 91 | A | A | 0.0000 | |
| 92 | V | A | -0.0436 | |
| 93 | Y | A | 0.0000 | |
| 94 | Y | A | 0.0000 | |
| 95 | C | A | 0.0000 | |
| 96 | A | A | 0.0000 | |
| 97 | R | A | -0.8469 | |
| 98 | D | A | 0.0000 | |
| 99 | G | A | 0.3230 | |
| 100 | Y | A | 1.7001 | |
| 101 | Y | A | 1.9381 | |
| 102 | P | A | 0.0000 | |
| 103 | Y | A | 1.0381 | |
| 104 | A | A | 0.0000 | |
| 105 | M | A | 0.0000 | |
| 106 | D | A | -1.6985 | |
| 107 | N | A | -1.4789 | |
| 108 | W | A | -1.4795 | |
| 109 | G | A | 0.0000 | |
| 110 | Q | A | -1.9152 | |
| 111 | G | A | 0.0000 | |
| 112 | T | A | -0.6062 | |
| 113 | T | A | -0.2611 | |
| 114 | V | A | 0.0000 | |
| 115 | T | A | 0.0000 | |
| 116 | V | A | 0.0000 | |
| 117 | S | A | -0.7323 | |
| 118 | S | A | -0.7187 | |
| 119 | A | A | -0.5252 | |
| 120 | S | A | -0.6582 | |
| 121 | T | A | -0.8578 | |
| 122 | K | A | -1.4770 | |
| 123 | G | A | -1.5321 | |
| 124 | P | A | -0.6729 | |
| 125 | S | A | -0.3708 | |
| 126 | V | A | -0.3320 | |
| 127 | F | A | 0.0000 | |
| 128 | P | A | -1.0877 | |
| 129 | L | A | 0.0000 | |
| 130 | A | A | 0.0000 | |
| 131 | P | A | -0.7793 | |
| 132 | C | A | -1.0686 | |
| 133 | S | A | -1.1401 | |
| 134 | R | A | -1.5214 | |
| 135 | S | A | -1.2515 | |
| 136 | T | A | -0.9350 | |
| 137 | S | A | -1.1364 | |
| 138 | E | A | -1.8289 | |
| 139 | S | A | -1.1696 | |
| 140 | T | A | -0.8713 | |
| 141 | A | A | 0.0000 | |
| 142 | A | A | 0.0000 | |
| 143 | L | A | 0.0000 | |
| 144 | G | A | 0.0000 | |
| 145 | C | A | 0.0000 | |
| 146 | L | A | 0.0000 | |
| 147 | V | A | 0.0000 | |
| 148 | K | A | 0.0000 | |
| 149 | D | A | -0.5843 | |
| 150 | Y | A | 0.0000 | |
| 151 | F | A | 0.0000 | |
| 152 | P | A | 0.0000 | |
| 153 | E | A | -0.4887 | |
| 154 | P | A | -0.6420 | |
| 155 | V | A | -0.6268 | |
| 156 | T | A | -0.5627 | |
| 157 | V | A | -0.3249 | |
| 158 | S | A | -0.4755 | |
| 159 | W | A | 0.0000 | |
| 160 | N | A | -1.0165 | |
| 161 | S | A | -0.7929 | |
| 162 | G | A | -0.6134 | |
| 163 | A | A | -0.2668 | |
| 164 | L | A | -0.0527 | |
| 165 | T | A | -0.1933 | |
| 166 | S | A | -0.2369 | |
| 167 | G | A | -0.3413 | |
| 168 | V | A | 0.1508 | |
| 169 | H | A | -0.3462 | |
| 170 | T | A | -0.0164 | |
| 171 | F | A | 0.0000 | |
| 172 | P | A | -0.3680 | |
| 173 | A | A | 0.2134 | |
| 174 | V | A | 0.5267 | |
| 175 | L | A | 1.1380 | |
| 176 | Q | A | 0.2679 | |
| 177 | S | A | -0.0693 | |
| 178 | S | A | -0.2438 | |
| 179 | G | A | 0.0073 | |
| 180 | L | A | 0.0280 | |
| 181 | Y | A | 0.3771 | |
| 182 | S | A | 0.2516 | |
| 183 | L | A | 0.0000 | |
| 184 | S | A | 0.0000 | |
| 185 | S | A | 0.0000 | |
| 186 | V | A | 0.0000 | |
| 187 | V | A | 0.0000 | |
| 188 | T | A | -0.1312 | |
| 189 | V | A | 0.0000 | |
| 190 | P | A | -0.5424 | |
| 191 | S | A | -0.7565 | |
| 192 | S | A | -0.5294 | |
| 193 | S | A | -0.6666 | |
| 194 | L | A | -0.7525 | |
| 195 | G | A | -1.1449 | |
| 196 | T | A | -0.9593 | |
| 197 | K | A | -1.5908 | |
| 198 | T | A | -1.6015 | |
| 199 | Y | A | 0.0000 | |
| 200 | T | A | 0.0000 | |
| 201 | C | A | 0.0000 | |
| 202 | N | A | -1.5762 | |
| 203 | V | A | 0.0000 | |
| 204 | D | A | -1.8041 | |
| 205 | H | A | 0.0000 | |
| 206 | K | A | -2.5787 | |
| 207 | P | A | -1.5627 | |
| 208 | S | A | -1.8846 | |
| 209 | N | A | -2.3676 | |
| 210 | T | A | -2.0259 | |
| 211 | K | A | -2.5629 | |
| 212 | V | A | -1.6146 | |
| 213 | D | A | -2.6165 | |
| 214 | K | A | -2.4467 | |
| 215 | R | A | -2.9050 | |
| 216 | V | A | 0.0000 | |
| 217 | E | A | -2.8282 | |
| 218 | S | A | -1.9956 | |
| 219 | K | A | -2.6376 | |
| 220 | D | B | -2.3831 | |
| 221 | I | B | 0.0000 | |
| 222 | V | B | 0.5970 | |
| 223 | L | B | 0.0000 | |
| 224 | T | B | -0.6212 | |
| 225 | Q | B | 0.0000 | |
| 226 | S | B | -0.8477 | |
| 227 | P | B | -0.5269 | |
| 228 | A | B | -0.5903 | |
| 229 | S | B | -0.8191 | |
| 230 | L | B | -0.5650 | |
| 231 | A | B | -0.7483 | |
| 232 | V | B | 0.0000 | |
| 233 | S | B | -1.8434 | |
| 234 | P | B | -1.9437 | |
| 235 | G | B | -2.2008 | |
| 236 | E | B | -3.0176 | |
| 237 | R | B | -3.3139 | |
| 238 | A | B | 0.0000 | |
| 239 | T | B | -0.5730 | |
| 240 | I | B | 0.0000 | |
| 241 | S | B | -1.0356 | |
| 242 | C | B | 0.0000 | |
| 243 | R | B | -2.7333 | |
| 244 | A | B | 0.0000 | |
| 245 | S | B | -1.2869 | |
| 246 | K | B | -2.5562 | |
| 247 | S | B | -1.9839 | |
| 248 | V | B | 0.0000 | |
| 249 | D | B | -1.5570 | |
| 250 | S | B | -0.6849 | |
| 251 | Y | B | 0.3668 | |
| 252 | G | B | -0.9067 | |
| 253 | R | B | -1.8481 | |
| 254 | S | B | 0.0000 | |
| 255 | F | B | -0.8032 | |
| 256 | M | B | 0.0000 | |
| 257 | H | B | 0.0000 | |
| 258 | W | B | 0.0000 | |
| 259 | Y | B | 0.0000 | |
| 260 | Q | B | 0.0000 | |
| 261 | Q | B | 0.0000 | |
| 262 | K | B | -1.5027 | |
| 263 | P | B | -1.3419 | |
| 264 | G | B | -1.5642 | |
| 265 | Q | B | -1.9830 | |
| 266 | P | B | -1.4315 | |
| 267 | P | B | 0.0000 | |
| 268 | K | B | -1.6977 | |
| 269 | L | B | 0.0000 | |
| 270 | L | B | 0.0000 | |
| 271 | I | B | 0.0000 | |
| 272 | Y | B | 0.0731 | |
| 273 | L | B | -0.2006 | |
| 274 | A | B | 0.0000 | |
| 275 | S | B | -0.5765 | |
| 276 | N | B | -0.7672 | |
| 277 | L | B | -0.4460 | |
| 278 | E | B | -0.9703 | |
| 279 | S | B | -0.5334 | |
| 280 | G | B | -0.7176 | |
| 281 | V | B | -0.7039 | |
| 282 | P | B | -1.1118 | |
| 283 | D | B | -1.9591 | |
| 284 | R | B | -1.9585 | |
| 285 | F | B | 0.0000 | |
| 286 | S | B | -0.7475 | |
| 287 | G | B | -0.4147 | |
| 288 | S | B | -0.8484 | |
| 289 | G | B | -1.2606 | |
| 290 | S | B | -1.6292 | |
| 291 | G | B | -1.8490 | |
| 292 | T | B | -2.2411 | |
| 293 | D | B | -2.9960 | |
| 294 | F | B | 0.0000 | |
| 295 | T | B | -0.9684 | |
| 296 | L | B | 0.0000 | |
| 297 | T | B | -0.8307 | |
| 298 | I | B | 0.0000 | |
| 299 | S | B | -2.4566 | |
| 300 | R | B | -3.3327 | |
| 301 | V | B | 0.0000 | |
| 302 | E | B | -2.5037 | |
| 303 | A | B | -2.3515 | |
| 304 | E | B | -2.4688 | |
| 305 | D | B | 0.0000 | |
| 306 | V | B | 0.0000 | |
| 307 | A | B | 0.0000 | |
| 308 | V | B | -0.7147 | |
| 309 | Y | B | 0.0000 | |
| 310 | Y | B | 0.0000 | |
| 311 | C | B | 0.0000 | |
| 312 | Q | B | 0.0000 | |
| 313 | Q | B | 0.0000 | |
| 314 | N | B | -1.3418 | |
| 315 | N | B | -2.2127 | |
| 316 | E | B | -3.5266 | |
| 317 | D | B | -3.2507 | |
| 318 | P | B | -2.2746 | |
| 319 | R | B | 0.0000 | |
| 320 | T | B | -0.7579 | |
| 321 | F | B | 0.0000 | |
| 322 | G | B | 0.0000 | |
| 323 | G | B | -0.8568 | |
| 324 | G | B | -0.9472 | |
| 325 | T | B | 0.0000 | |
| 326 | K | B | -1.7857 | |
| 327 | V | B | 0.0000 | |
| 328 | E | B | -1.6385 | |
| 329 | I | B | 0.0000 | |
| 330 | K | B | -1.4208 | |
| 331 | R | B | -1.3016 | |
| 332 | T | B | -0.2481 | |
| 333 | V | B | 0.1624 | |
| 334 | A | B | -0.1783 | |
| 335 | A | B | -0.1734 | |
| 336 | P | B | 0.0000 | |
| 337 | S | B | -0.0572 | |
| 338 | V | B | 0.0456 | |
| 339 | F | B | -0.0367 | |
| 340 | I | B | 0.0000 | |
| 341 | F | B | 0.0000 | |
| 342 | P | B | -0.6851 | |
| 343 | P | B | -0.7411 | |
| 344 | S | B | -1.7068 | |
| 345 | D | B | -2.9398 | |
| 346 | E | B | -2.5757 | |
| 347 | Q | B | 0.0000 | |
| 348 | L | B | -2.1382 | |
| 349 | K | B | -2.6322 | |
| 350 | S | B | -1.6215 | |
| 351 | G | B | -1.1012 | |
| 352 | T | B | -0.8679 | |
| 353 | A | B | 0.0000 | |
| 354 | S | B | 0.0000 | |
| 355 | V | B | 0.0000 | |
| 356 | V | B | 0.0000 | |
| 357 | C | B | 0.0000 | |
| 358 | L | B | 0.0000 | |
| 359 | L | B | 0.0000 | |
| 360 | N | B | 0.0000 | |
| 361 | N | B | -1.0130 | |
| 362 | F | B | 0.0000 | |
| 363 | Y | B | 0.0000 | |
| 364 | P | B | -1.8302 | |
| 365 | R | B | -3.1544 | |
| 366 | E | B | -3.2665 | |
| 367 | A | B | -2.3699 | |
| 368 | K | B | -2.4179 | |
| 369 | V | B | -1.0580 | |
| 370 | Q | B | -0.5964 | |
| 371 | W | B | 0.0000 | |
| 372 | K | B | -0.5069 | |
| 373 | V | B | 0.0000 | |
| 374 | D | B | -2.0072 | |
| 375 | N | B | -1.5926 | |
| 376 | A | B | -0.3140 | |
| 377 | L | B | 0.7268 | |
| 378 | Q | B | -0.2731 | |
| 379 | S | B | -0.7127 | |
| 380 | G | B | -1.2689 | |
| 381 | N | B | -1.5745 | |
| 382 | S | B | -1.4704 | |
| 383 | Q | B | -1.4306 | |
| 384 | E | B | -1.8793 | |
| 385 | S | B | -1.0292 | |
| 386 | V | B | -0.9155 | |
| 387 | T | B | -1.2370 | |
| 388 | E | B | -2.3199 | |
| 389 | Q | B | 0.0000 | |
| 390 | D | B | -2.2164 | |
| 391 | S | B | -2.3616 | |
| 392 | K | B | -2.6049 | |
| 393 | D | B | -1.8517 | |
| 394 | S | B | 0.0000 | |
| 395 | T | B | 0.0000 | |
| 396 | Y | B | -1.4600 | |
| 397 | S | B | 0.0000 | |
| 398 | L | B | 0.0000 | |
| 399 | S | B | 0.0000 | |
| 400 | S | B | 0.0000 | |
| 401 | T | B | -0.7654 | |
| 402 | L | B | 0.0000 | |
| 403 | T | B | -0.5922 | |
| 404 | L | B | -0.7819 | |
| 405 | S | B | -0.9506 | |
| 406 | K | B | -1.9209 | |
| 407 | A | B | -1.8349 | |
| 408 | D | B | -2.4180 | |
| 409 | Y | B | 0.0000 | |
| 410 | E | B | -3.6115 | |
| 411 | K | B | -3.6154 | |
| 412 | H | B | -3.0324 | |
| 413 | K | B | -2.8651 | |
| 414 | V | B | -1.3492 | |
| 415 | Y | B | 0.0000 | |
| 416 | A | B | 0.0000 | |
| 417 | C | B | 0.0000 | |
| 418 | E | B | -0.8060 | |
| 419 | V | B | 0.0000 | |
| 420 | T | B | -1.1511 | |
| 421 | H | B | 0.0000 | |
| 422 | Q | B | -1.7908 | |
| 423 | G | B | -0.5258 | |
| 424 | L | B | -0.3143 | |
| 425 | S | B | -0.4969 | |
| 426 | S | B | -0.4051 | |
| 427 | P | B | -0.5161 | |
| 428 | V | B | 0.0818 | |
| 429 | T | B | -0.3982 | |
| 430 | K | B | -0.7068 | |
| 431 | S | B | -0.5162 | |
| 432 | F | B | 0.0000 | |
| 433 | N | B | -1.4348 | |
| 434 | R | B | -2.3790 | |
| 435 | G | B | -1.8480 | |
| 436 | E | B | -2.2833 | |
| 437 | C | B | -0.7165 |
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