| Chain sequence(s) |
A: QVHLVQSESEVKKPGASVKVSCQASGYPFTRYIMNWVRQAPGQGLEWMGWIDTKTGNPTYAQAFTGRFVFSLDTSVSTAYLQINNLKAEDTAVYFCTTLSGYSADWPEDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEP
B: QTVVTQEPSLTVSPGGTVTLTCASSTGAVMGGHYANWFQQHPGQAPRGLIYNTDKKHSWTHARFSGSLLGGKAALTLSGARPEDEADYYCLLYRDGGVVFGGGTKLTVLSQPKAAPTVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADGSPVKAGVETTKPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAP 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 (00:03:53)
[INFO] Main: Simulation completed successfully. (00:03:55)
|
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 | -1.2612 | |
| 2 | V | A | -0.4806 | |
| 3 | H | A | -0.4393 | |
| 4 | L | A | 0.0000 | |
| 5 | V | A | 0.9020 | |
| 6 | Q | A | 0.0000 | |
| 7 | S | A | -1.0425 | |
| 8 | E | A | -2.1756 | |
| 9 | S | A | -1.4353 | |
| 10 | E | A | -1.5699 | |
| 11 | V | A | -0.7624 | |
| 12 | K | A | -1.4666 | |
| 13 | K | A | -2.3722 | |
| 14 | P | A | -2.0878 | |
| 15 | G | A | -1.8791 | |
| 16 | A | A | -1.5196 | |
| 17 | S | A | -1.6049 | |
| 18 | V | A | 0.0000 | |
| 19 | K | A | -1.7300 | |
| 20 | V | A | 0.0000 | |
| 21 | S | A | -0.3584 | |
| 22 | C | A | 0.0000 | |
| 23 | Q | A | 0.2830 | |
| 24 | A | A | 0.0000 | |
| 25 | S | A | -0.3267 | |
| 26 | G | A | -0.8506 | |
| 27 | Y | A | -0.5589 | |
| 28 | P | A | -0.6230 | |
| 29 | F | A | 0.0000 | |
| 30 | T | A | -1.5661 | |
| 31 | R | A | -2.1250 | |
| 32 | Y | A | -0.9056 | |
| 33 | I | A | 0.0000 | |
| 34 | M | A | 0.0000 | |
| 35 | N | A | 0.0000 | |
| 36 | W | A | 0.0000 | |
| 37 | V | A | 0.0000 | |
| 38 | R | A | -0.4068 | |
| 39 | Q | A | -0.6492 | |
| 40 | A | A | -0.9606 | |
| 41 | P | A | -0.8712 | |
| 42 | G | A | -1.2973 | |
| 43 | Q | A | -1.7113 | |
| 44 | G | A | -1.2664 | |
| 45 | L | A | 0.0000 | |
| 46 | E | A | -0.7286 | |
| 47 | W | A | 0.0037 | |
| 48 | M | A | 0.0000 | |
| 49 | G | A | 0.0000 | |
| 50 | W | A | 0.0104 | |
| 51 | I | A | 0.0000 | |
| 52 | D | A | -1.5765 | |
| 53 | T | A | 0.0000 | |
| 54 | K | A | -2.4420 | |
| 55 | T | A | -1.5092 | |
| 56 | G | A | -1.4962 | |
| 57 | N | A | -1.8604 | |
| 58 | P | A | -0.6372 | |
| 59 | T | A | -0.2266 | |
| 60 | Y | A | 0.2178 | |
| 61 | A | A | -0.4324 | |
| 62 | Q | A | -1.2023 | |
| 63 | A | A | -0.5829 | |
| 64 | F | A | 0.0000 | |
| 65 | T | A | -0.6653 | |
| 66 | G | A | -0.6128 | |
| 67 | R | A | -0.7479 | |
| 68 | F | A | 0.0000 | |
| 69 | V | A | 0.8384 | |
| 70 | F | A | 0.0000 | |
| 71 | S | A | 0.0076 | |
| 72 | L | A | -0.1808 | |
| 73 | D | A | -0.3096 | |
| 74 | T | A | -0.2458 | |
| 75 | S | A | 0.3805 | |
| 76 | V | A | 1.3235 | |
| 77 | S | A | 0.3299 | |
| 78 | T | A | 0.0000 | |
| 79 | A | A | 0.0000 | |
| 80 | Y | A | 0.0238 | |
| 81 | L | A | 0.0000 | |
| 82 | Q | A | -0.6701 | |
| 83 | I | A | 0.0000 | |
| 84 | N | A | -1.4492 | |
| 85 | N | A | -2.1587 | |
| 86 | L | A | 0.0000 | |
| 87 | K | A | -2.4006 | |
| 88 | A | A | -1.6766 | |
| 89 | E | A | -2.1323 | |
| 90 | D | A | 0.0000 | |
| 91 | T | A | -0.7587 | |
| 92 | A | A | 0.0000 | |
| 93 | V | A | 0.1039 | |
| 94 | Y | A | 0.0000 | |
| 95 | F | A | 0.0000 | |
| 96 | C | A | 0.0000 | |
| 97 | T | A | 0.0000 | |
| 98 | T | A | 0.0000 | |
| 99 | L | A | 0.0000 | |
| 100 | S | A | -0.1622 | |
| 101 | G | A | 0.5059 | |
| 102 | Y | A | 1.0909 | |
| 103 | S | A | -0.1954 | |
| 104 | A | A | -0.9031 | |
| 105 | D | A | -0.3193 | |
| 106 | W | A | 0.1254 | |
| 107 | P | A | 0.0913 | |
| 108 | E | A | 0.0000 | |
| 109 | D | A | -0.4637 | |
| 110 | Y | A | 0.0182 | |
| 111 | W | A | 0.0000 | |
| 112 | G | A | 0.0000 | |
| 113 | Q | A | -1.2614 | |
| 114 | G | A | -0.8114 | |
| 115 | T | A | 0.0000 | |
| 116 | L | A | -0.4413 | |
| 117 | V | A | 0.0000 | |
| 118 | T | A | -0.7489 | |
| 119 | V | A | 0.0000 | |
| 120 | S | A | -0.9432 | |
| 121 | S | A | -1.0441 | |
| 122 | A | A | -0.6127 | |
| 123 | S | A | -0.7231 | |
| 124 | T | A | -0.8225 | |
| 125 | K | A | -1.0936 | |
| 126 | G | A | -1.1878 | |
| 127 | P | A | -0.5335 | |
| 128 | S | A | -0.2101 | |
| 129 | V | A | 0.0000 | |
| 130 | F | A | 0.0000 | |
| 131 | P | A | -1.1125 | |
| 132 | L | A | 0.0000 | |
| 133 | A | A | -0.8539 | |
| 134 | P | A | 0.0000 | |
| 135 | S | A | -1.0003 | |
| 136 | S | A | -1.1381 | |
| 137 | K | A | -1.9575 | |
| 138 | S | A | 0.0000 | |
| 139 | T | A | -1.0156 | |
| 140 | S | A | -0.9607 | |
| 141 | G | A | -0.8496 | |
| 142 | G | A | -0.9097 | |
| 143 | T | A | -0.6205 | |
| 144 | A | A | 0.0000 | |
| 145 | A | A | -0.3157 | |
| 146 | L | A | 0.0000 | |
| 147 | G | A | 0.0000 | |
| 148 | C | A | 0.0000 | |
| 149 | L | A | 0.0000 | |
| 150 | V | A | 0.0000 | |
| 151 | K | A | 0.0000 | |
| 152 | D | A | -0.1434 | |
| 153 | Y | A | 0.0000 | |
| 154 | F | A | 0.0000 | |
| 155 | P | A | 0.0000 | |
| 156 | E | A | -0.3813 | |
| 157 | P | A | -0.7929 | |
| 158 | V | A | -0.5561 | |
| 159 | T | A | -0.5674 | |
| 160 | V | A | -0.4276 | |
| 161 | S | A | -0.4519 | |
| 162 | W | A | 0.0000 | |
| 163 | N | A | -0.7677 | |
| 164 | S | A | -0.6492 | |
| 165 | G | A | -0.5539 | |
| 166 | A | A | -0.2399 | |
| 167 | L | A | -0.0598 | |
| 168 | T | A | -0.2690 | |
| 169 | S | A | -0.3564 | |
| 170 | G | A | -0.6312 | |
| 171 | V | A | -0.0048 | |
| 172 | H | A | -0.2091 | |
| 173 | T | A | 0.0069 | |
| 174 | F | A | 0.0000 | |
| 175 | P | A | -0.2346 | |
| 176 | A | A | 0.1607 | |
| 177 | V | A | 0.4085 | |
| 178 | L | A | 1.0207 | |
| 179 | Q | A | 0.2702 | |
| 180 | S | A | -0.1886 | |
| 181 | S | A | -0.1967 | |
| 182 | G | A | 0.0255 | |
| 183 | L | A | 0.2246 | |
| 184 | Y | A | 0.5174 | |
| 185 | S | A | 0.0000 | |
| 186 | L | A | 0.0000 | |
| 187 | S | A | 0.0000 | |
| 188 | S | A | 0.0000 | |
| 189 | V | A | 0.1386 | |
| 190 | V | A | 0.0000 | |
| 191 | T | A | -0.2334 | |
| 192 | V | A | 0.0000 | |
| 193 | P | A | -0.5777 | |
| 194 | S | A | -0.6189 | |
| 195 | S | A | -0.5842 | |
| 196 | S | A | -0.6121 | |
| 197 | L | A | -0.7432 | |
| 198 | G | A | -0.9372 | |
| 199 | T | A | -0.6922 | |
| 200 | Q | A | -1.2077 | |
| 201 | T | A | -1.1607 | |
| 202 | Y | A | 0.0000 | |
| 203 | I | A | -1.2462 | |
| 204 | C | A | 0.0000 | |
| 205 | N | A | -1.5621 | |
| 206 | V | A | 0.0000 | |
| 207 | N | A | -1.9990 | |
| 208 | H | A | 0.0000 | |
| 209 | K | A | -2.5845 | |
| 210 | P | A | -1.7404 | |
| 211 | S | A | -1.6915 | |
| 212 | N | A | -2.3284 | |
| 213 | T | A | -1.9706 | |
| 214 | K | A | -2.6895 | |
| 215 | V | A | -1.6905 | |
| 216 | D | A | -2.4634 | |
| 217 | K | A | -2.1798 | |
| 218 | R | A | -2.6761 | |
| 219 | V | A | 0.0000 | |
| 220 | E | A | -2.5233 | |
| 221 | P | A | -1.1947 | |
| 222 | Q | B | -1.0033 | |
| 223 | T | B | -0.1840 | |
| 224 | V | B | 0.6693 | |
| 225 | V | B | 0.0000 | |
| 226 | T | B | -0.3195 | |
| 227 | Q | B | 0.0000 | |
| 228 | E | B | -1.3331 | |
| 229 | P | B | -1.2876 | |
| 230 | S | B | -1.1996 | |
| 231 | L | B | -0.5609 | |
| 232 | T | B | 0.0269 | |
| 233 | V | B | 0.2240 | |
| 234 | S | B | -0.1908 | |
| 235 | P | B | -0.8077 | |
| 236 | G | B | -0.9444 | |
| 237 | G | B | -0.6121 | |
| 238 | T | B | -0.4437 | |
| 239 | V | B | 0.0000 | |
| 240 | T | B | -0.0578 | |
| 241 | L | B | 0.0000 | |
| 242 | T | B | -0.5643 | |
| 243 | C | B | 0.0000 | |
| 244 | A | B | -0.7448 | |
| 245 | S | B | -0.5343 | |
| 246 | S | B | -0.6614 | |
| 247 | T | B | -0.9664 | |
| 248 | G | B | -1.3692 | |
| 249 | A | B | 0.0000 | |
| 250 | V | B | 0.0000 | |
| 251 | M | B | -0.4067 | |
| 252 | G | B | -0.6849 | |
| 253 | G | B | -0.6860 | |
| 254 | H | B | -0.6226 | |
| 255 | Y | B | -0.1347 | |
| 256 | A | B | 0.0000 | |
| 257 | N | B | 0.0000 | |
| 258 | W | B | 0.0000 | |
| 259 | F | B | 0.0000 | |
| 260 | Q | B | 0.0000 | |
| 261 | Q | B | 0.0000 | |
| 262 | H | B | -1.3739 | |
| 263 | P | B | -1.2013 | |
| 264 | G | B | -1.4503 | |
| 265 | Q | B | -2.0014 | |
| 266 | A | B | -1.2709 | |
| 267 | P | B | 0.0000 | |
| 268 | R | B | -1.0033 | |
| 269 | G | B | -0.6977 | |
| 270 | L | B | 0.0000 | |
| 271 | I | B | 0.0000 | |
| 272 | Y | B | -1.0336 | |
| 273 | N | B | -1.1437 | |
| 274 | T | B | -0.9984 | |
| 275 | D | B | -2.3356 | |
| 276 | K | B | -2.4845 | |
| 277 | K | B | -2.0170 | |
| 278 | H | B | -1.4171 | |
| 279 | S | B | -0.3841 | |
| 280 | W | B | 0.5617 | |
| 281 | T | B | -0.6324 | |
| 282 | H | B | -0.9870 | |
| 283 | A | B | -0.8007 | |
| 284 | R | B | -0.7013 | |
| 285 | F | B | 0.0000 | |
| 286 | S | B | -1.0995 | |
| 287 | G | B | -1.0961 | |
| 288 | S | B | -0.5704 | |
| 289 | L | B | 0.2397 | |
| 290 | L | B | 1.0255 | |
| 291 | G | B | -0.2170 | |
| 292 | G | B | -0.7267 | |
| 293 | K | B | -1.3185 | |
| 294 | A | B | 0.0000 | |
| 295 | A | B | -0.3177 | |
| 296 | L | B | 0.0000 | |
| 297 | T | B | -0.2046 | |
| 298 | L | B | 0.0000 | |
| 299 | S | B | -0.5637 | |
| 300 | G | B | -0.7882 | |
| 301 | A | B | 0.0000 | |
| 302 | R | B | -1.8693 | |
| 303 | P | B | -1.7615 | |
| 304 | E | B | -2.4785 | |
| 305 | D | B | 0.0000 | |
| 306 | E | B | -1.4479 | |
| 307 | A | B | 0.0000 | |
| 308 | D | B | -1.1715 | |
| 309 | Y | B | 0.0000 | |
| 310 | Y | B | 0.0000 | |
| 311 | C | B | 0.0000 | |
| 312 | L | B | 0.0000 | |
| 313 | L | B | 0.0000 | |
| 314 | Y | B | 0.0000 | |
| 315 | R | B | -1.9952 | |
| 316 | D | B | -2.6675 | |
| 317 | G | B | -1.6191 | |
| 318 | G | B | -1.1461 | |
| 319 | V | B | 0.0000 | |
| 320 | V | B | -0.1993 | |
| 321 | F | B | 0.0000 | |
| 322 | G | B | 0.0000 | |
| 323 | G | B | -0.9807 | |
| 324 | G | B | -1.1267 | |
| 325 | T | B | 0.0000 | |
| 326 | K | B | -2.0986 | |
| 327 | L | B | 0.0000 | |
| 328 | T | B | -0.5516 | |
| 329 | V | B | 0.0000 | |
| 330 | L | B | 0.6166 | |
| 331 | S | B | -0.1734 | |
| 332 | Q | B | -0.8384 | |
| 333 | P | B | -1.1493 | |
| 334 | K | B | -2.2201 | |
| 335 | A | B | -1.2776 | |
| 336 | A | B | -0.6892 | |
| 337 | P | B | 0.0000 | |
| 338 | T | B | -0.3229 | |
| 339 | V | B | 0.0000 | |
| 340 | T | B | -0.5849 | |
| 341 | L | B | 0.0000 | |
| 342 | F | B | 0.0000 | |
| 343 | P | B | -0.2913 | |
| 344 | P | B | 0.0000 | |
| 345 | S | B | -0.9224 | |
| 346 | S | B | -1.5201 | |
| 347 | E | B | -2.5025 | |
| 348 | E | B | 0.0000 | |
| 349 | L | B | -1.8307 | |
| 350 | Q | B | -2.2802 | |
| 351 | A | B | -1.7495 | |
| 352 | N | B | -2.3823 | |
| 353 | K | B | -1.9557 | |
| 354 | A | B | 0.0000 | |
| 355 | T | B | 0.0000 | |
| 356 | L | B | 0.0000 | |
| 357 | V | B | 0.0000 | |
| 358 | C | B | 0.0000 | |
| 359 | L | B | 0.0000 | |
| 360 | I | B | 0.0000 | |
| 361 | S | B | -0.4544 | |
| 362 | D | B | -1.1825 | |
| 363 | F | B | 0.0000 | |
| 364 | Y | B | -1.1911 | |
| 365 | P | B | -0.8098 | |
| 366 | G | B | -0.8577 | |
| 367 | A | B | -0.4621 | |
| 368 | V | B | -0.3221 | |
| 369 | T | B | -0.3117 | |
| 370 | V | B | 0.0940 | |
| 371 | A | B | -0.3542 | |
| 372 | W | B | 0.0000 | |
| 373 | K | B | -0.9966 | |
| 374 | A | B | 0.0000 | |
| 375 | D | B | -1.4443 | |
| 376 | G | B | -1.1245 | |
| 377 | S | B | -0.8912 | |
| 378 | P | B | -0.8964 | |
| 379 | V | B | -0.8018 | |
| 380 | K | B | -1.5803 | |
| 381 | A | B | -0.7291 | |
| 382 | G | B | -0.4558 | |
| 383 | V | B | -0.1878 | |
| 384 | E | B | -0.1331 | |
| 385 | T | B | -0.3589 | |
| 386 | T | B | 0.0000 | |
| 387 | K | B | -1.6889 | |
| 388 | P | B | -0.9965 | |
| 389 | S | B | -0.8927 | |
| 390 | K | B | -1.1745 | |
| 391 | Q | B | -1.2489 | |
| 392 | S | B | -1.2468 | |
| 393 | N | B | -2.0995 | |
| 394 | N | B | -1.8169 | |
| 395 | K | B | -1.6655 | |
| 396 | Y | B | -0.9636 | |
| 397 | A | B | 0.0000 | |
| 398 | A | B | 0.0000 | |
| 399 | S | B | 0.0000 | |
| 400 | S | B | 0.0000 | |
| 401 | Y | B | 0.0000 | |
| 402 | L | B | 0.0000 | |
| 403 | S | B | -0.2802 | |
| 404 | L | B | -0.6719 | |
| 405 | T | B | -1.5117 | |
| 406 | P | B | 0.0000 | |
| 407 | E | B | -3.0702 | |
| 408 | Q | B | -2.2599 | |
| 409 | W | B | 0.0000 | |
| 410 | K | B | -3.1724 | |
| 411 | S | B | -2.4627 | |
| 412 | H | B | -2.4502 | |
| 413 | R | B | -2.5927 | |
| 414 | S | B | -1.6316 | |
| 415 | Y | B | 0.0000 | |
| 416 | S | B | 0.0000 | |
| 417 | C | B | 0.0000 | |
| 418 | Q | B | -0.7312 | |
| 419 | V | B | 0.0000 | |
| 420 | T | B | -0.5759 | |
| 421 | H | B | 0.0000 | |
| 422 | E | B | -2.2796 | |
| 423 | G | B | -1.4413 | |
| 424 | S | B | -0.9117 | |
| 425 | T | B | -0.5307 | |
| 426 | V | B | -0.2055 | |
| 427 | E | B | -1.1473 | |
| 428 | K | B | -1.3660 | |
| 429 | T | B | -0.9858 | |
| 430 | V | B | 0.0000 | |
| 431 | A | B | -0.9864 | |
| 432 | P | B | -1.0411 |
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