| Chain sequence(s) |
A: MLGLPAANPGPALRHTSEYVEPTDLYCVASTDLLTETGHPERDIVVDGKVVVPRVNAYQWRVFKLTLPDPNTMPLPTEDFVNRETEILIWQLRAFYIGVGGALGKGSYGHPNFNRLGDVTNPTEYLHESANDTVNDSWTPVRKQSYIIGCEPPIGEYYDIAEPCPGLPPGACPPLKKVSTIIQDGDMCDIGYGAKNYKKLEPSKNNVPDIILDTSCKVVDYEKMKAEPTGRRMFTHDESTSSSASKTYRRSGPELFPLPASPPPSPLYVKPPPSSPYAVLPSYDIFTLPDAGAITEADELFNKPVFLEQAPGLNNGVCWYNQLYITIVDNSRAEIEEIRTRVSTPAPDVYDPSNYVTSKRYTAEYQLSFVFQLCRIPLTPEILDYLRSLDPRFLVDSNLPFIPPEERPDPYAGLKFKEIDLTNKFSTELEKSELGRLFLNR
input PDB |
| Selected Chain(s) | A |
| 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 A 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. (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:00:01)
[INFO] Main: Simulation completed successfully. (00:00:04)
|
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 | M | A | 1.8400 | |
| 2 | L | A | 2.1894 | |
| 3 | G | A | 1.2577 | |
| 4 | L | A | 1.7771 | |
| 5 | P | A | 0.3502 | |
| 6 | A | A | -0.2374 | |
| 7 | A | A | -0.4557 | |
| 8 | N | A | -1.5504 | |
| 9 | P | A | -1.1494 | |
| 10 | G | A | -0.9461 | |
| 11 | P | A | -0.7502 | |
| 12 | A | A | -0.0038 | |
| 13 | L | A | 0.4543 | |
| 14 | R | A | -0.6216 | |
| 15 | H | A | -0.7330 | |
| 16 | T | A | 0.0000 | |
| 17 | S | A | -1.4998 | |
| 18 | E | A | -2.1829 | |
| 19 | Y | A | 0.0000 | |
| 20 | V | A | 0.0000 | |
| 21 | E | A | -1.5188 | |
| 22 | P | A | -1.1664 | |
| 23 | T | A | -0.8651 | |
| 24 | D | A | -1.4471 | |
| 25 | L | A | -0.5526 | |
| 26 | Y | A | -0.2365 | |
| 27 | C | A | 0.0000 | |
| 28 | V | A | 0.0000 | |
| 29 | A | A | 0.0000 | |
| 30 | S | A | -0.5937 | |
| 31 | T | A | 0.0000 | |
| 32 | D | A | -1.2672 | |
| 33 | L | A | 0.3466 | |
| 34 | L | A | -0.0058 | |
| 35 | T | A | -0.2942 | |
| 36 | E | A | -0.5349 | |
| 37 | T | A | -0.4659 | |
| 38 | G | A | 0.0000 | |
| 39 | H | A | -1.4623 | |
| 40 | P | A | 0.0000 | |
| 41 | E | A | -1.7072 | |
| 42 | R | A | -2.4246 | |
| 43 | D | A | -0.8313 | |
| 44 | I | A | 1.2837 | |
| 45 | V | A | 2.1844 | |
| 46 | V | A | 1.6367 | |
| 47 | D | A | -0.9616 | |
| 48 | G | A | -0.5527 | |
| 49 | K | A | -0.2254 | |
| 50 | V | A | 1.8779 | |
| 51 | V | A | 2.4730 | |
| 52 | V | A | 1.2222 | |
| 53 | P | A | -0.1082 | |
| 54 | R | A | -1.2197 | |
| 55 | V | A | 0.0000 | |
| 56 | N | A | 0.0000 | |
| 57 | A | A | 0.0000 | |
| 58 | Y | A | 0.0000 | |
| 59 | Q | A | 0.0000 | |
| 60 | W | A | 0.0000 | |
| 61 | R | A | 0.0000 | |
| 62 | V | A | 0.0000 | |
| 63 | F | A | 0.0000 | |
| 64 | K | A | 0.0000 | |
| 65 | L | A | 0.0000 | |
| 66 | T | A | -1.1351 | |
| 67 | L | A | 0.0000 | |
| 68 | P | A | 0.0000 | |
| 69 | D | A | -0.6199 | |
| 70 | P | A | 0.0000 | |
| 71 | N | A | -1.0129 | |
| 72 | T | A | -0.4133 | |
| 73 | M | A | -0.1429 | |
| 74 | P | A | -0.5040 | |
| 75 | L | A | -0.4521 | |
| 76 | P | A | -0.8506 | |
| 77 | T | A | -1.0910 | |
| 78 | E | A | -2.4894 | |
| 79 | D | A | -1.8465 | |
| 80 | F | A | -0.0127 | |
| 81 | V | A | -1.1731 | |
| 82 | N | A | -2.7328 | |
| 83 | R | A | -3.3574 | |
| 84 | E | A | -3.1608 | |
| 85 | T | A | -1.9686 | |
| 86 | E | A | -1.8451 | |
| 87 | I | A | 0.0000 | |
| 88 | L | A | 0.0000 | |
| 89 | I | A | 0.0000 | |
| 90 | W | A | 0.0000 | |
| 91 | Q | A | 0.0000 | |
| 92 | L | A | 0.0000 | |
| 93 | R | A | -0.6175 | |
| 94 | A | A | 0.0000 | |
| 95 | F | A | 0.0000 | |
| 96 | Y | A | -0.4774 | |
| 97 | I | A | 0.0000 | |
| 98 | G | A | 0.0000 | |
| 99 | V | A | 0.0000 | |
| 100 | G | A | -0.5047 | |
| 101 | G | A | -0.7943 | |
| 102 | A | A | -0.3712 | |
| 103 | L | A | -0.3780 | |
| 104 | G | A | -0.8056 | |
| 105 | K | A | -1.2412 | |
| 106 | G | A | 0.0000 | |
| 107 | S | A | -0.7344 | |
| 108 | Y | A | 0.0000 | |
| 109 | G | A | -0.9936 | |
| 110 | H | A | -1.4868 | |
| 111 | P | A | -1.5604 | |
| 112 | N | A | -2.3474 | |
| 113 | F | A | 0.0000 | |
| 114 | N | A | 0.0000 | |
| 115 | R | A | -0.8038 | |
| 116 | L | A | -0.7502 | |
| 117 | G | A | -0.7560 | |
| 118 | D | A | -1.1656 | |
| 119 | V | A | -0.5877 | |
| 120 | T | A | -1.1195 | |
| 121 | N | A | -1.8673 | |
| 122 | P | A | -1.4757 | |
| 123 | T | A | -1.3603 | |
| 124 | E | A | -2.0520 | |
| 125 | Y | A | -0.5808 | |
| 126 | L | A | -0.9250 | |
| 127 | H | A | -1.3370 | |
| 128 | E | A | -1.9144 | |
| 129 | S | A | -1.4788 | |
| 130 | A | A | -0.9946 | |
| 131 | N | A | -1.7705 | |
| 132 | D | A | -1.4579 | |
| 133 | T | A | -1.2677 | |
| 134 | V | A | -1.1045 | |
| 135 | N | A | -1.8136 | |
| 136 | D | A | -1.2195 | |
| 137 | S | A | -0.7039 | |
| 138 | W | A | 0.0000 | |
| 139 | T | A | -0.4884 | |
| 140 | P | A | 0.0000 | |
| 141 | V | A | 0.0000 | |
| 142 | R | A | 0.0000 | |
| 143 | K | A | 0.0000 | |
| 144 | Q | A | 0.0000 | |
| 145 | S | A | 0.0000 | |
| 146 | Y | A | 0.0000 | |
| 147 | I | A | 0.0000 | |
| 148 | I | A | 0.0000 | |
| 149 | G | A | 0.0000 | |
| 150 | C | A | 0.0000 | |
| 151 | E | A | 0.0000 | |
| 152 | P | A | 0.0000 | |
| 153 | P | A | 0.0000 | |
| 154 | I | A | -0.1505 | |
| 155 | G | A | 0.0000 | |
| 156 | E | A | -0.4139 | |
| 157 | Y | A | -0.3299 | |
| 158 | Y | A | 0.0321 | |
| 159 | D | A | -0.6551 | |
| 160 | I | A | -0.0745 | |
| 161 | A | A | -0.6778 | |
| 162 | E | A | -1.6446 | |
| 163 | P | A | -0.3250 | |
| 164 | C | A | 0.1822 | |
| 165 | P | A | -0.1711 | |
| 166 | G | A | -0.0750 | |
| 167 | L | A | 0.5958 | |
| 168 | P | A | -0.1213 | |
| 169 | P | A | -0.3477 | |
| 170 | G | A | -0.1507 | |
| 171 | A | A | 0.4438 | |
| 172 | C | A | 1.0929 | |
| 173 | P | A | 0.4082 | |
| 174 | P | A | 0.4337 | |
| 175 | L | A | 0.4924 | |
| 176 | K | A | -1.2840 | |
| 177 | K | A | -1.6097 | |
| 178 | V | A | -0.6141 | |
| 179 | S | A | -0.4765 | |
| 180 | T | A | -0.0631 | |
| 181 | I | A | 0.0971 | |
| 182 | I | A | 0.0000 | |
| 183 | Q | A | -0.8256 | |
| 184 | D | A | -1.1794 | |
| 185 | G | A | -0.8185 | |
| 186 | D | A | -0.6776 | |
| 187 | M | A | 0.0000 | |
| 188 | C | A | 0.0000 | |
| 189 | D | A | -0.3875 | |
| 190 | I | A | 0.0000 | |
| 191 | G | A | -0.4035 | |
| 192 | Y | A | -0.2030 | |
| 193 | G | A | -0.2085 | |
| 194 | A | A | -0.3719 | |
| 195 | K | A | -0.9012 | |
| 196 | N | A | 0.0000 | |
| 197 | Y | A | 0.0000 | |
| 198 | K | A | -3.6065 | |
| 199 | K | A | -2.9755 | |
| 200 | L | A | -1.2835 | |
| 201 | E | A | -2.1010 | |
| 202 | P | A | -1.9170 | |
| 203 | S | A | -1.4362 | |
| 204 | K | A | -2.9596 | |
| 205 | N | A | -1.7988 | |
| 206 | N | A | -1.2351 | |
| 207 | V | A | 0.0000 | |
| 208 | P | A | 0.0000 | |
| 209 | D | A | -1.6241 | |
| 210 | I | A | 0.0000 | |
| 211 | I | A | 0.0000 | |
| 212 | L | A | -2.1600 | |
| 213 | D | A | -3.1846 | |
| 214 | T | A | -1.8023 | |
| 215 | S | A | -1.1374 | |
| 216 | C | A | 0.0000 | |
| 217 | K | A | 0.0000 | |
| 218 | V | A | 0.1758 | |
| 219 | V | A | 0.0000 | |
| 220 | D | A | 0.0000 | |
| 221 | Y | A | -1.6041 | |
| 222 | E | A | -2.9080 | |
| 223 | K | A | -2.6138 | |
| 224 | M | A | 0.0000 | |
| 225 | K | A | -2.8878 | |
| 226 | A | A | -1.8845 | |
| 227 | E | A | -1.5350 | |
| 228 | P | A | -0.5750 | |
| 229 | T | A | -0.3270 | |
| 230 | G | A | 0.0000 | |
| 231 | R | A | -0.5753 | |
| 232 | R | A | -0.5858 | |
| 233 | M | A | 0.0000 | |
| 234 | F | A | 0.0000 | |
| 235 | T | A | -0.5346 | |
| 236 | H | A | -0.9077 | |
| 237 | D | A | -1.4167 | |
| 238 | E | A | -1.4133 | |
| 239 | S | A | -0.9643 | |
| 240 | T | A | -0.5420 | |
| 241 | S | A | -0.4565 | |
| 242 | S | A | -0.5281 | |
| 243 | S | A | -0.6015 | |
| 244 | A | A | -0.5866 | |
| 245 | S | A | -0.8670 | |
| 246 | K | A | -1.5036 | |
| 247 | T | A | -0.4982 | |
| 248 | Y | A | 0.0000 | |
| 249 | R | A | 0.2501 | |
| 250 | R | A | 0.0000 | |
| 251 | S | A | -0.9833 | |
| 252 | G | A | -0.7630 | |
| 253 | P | A | -0.1837 | |
| 254 | E | A | 0.6324 | |
| 255 | L | A | 2.0441 | |
| 256 | F | A | 2.4954 | |
| 257 | P | A | 1.1758 | |
| 258 | L | A | 1.4165 | |
| 259 | P | A | 0.5863 | |
| 260 | A | A | -0.0557 | |
| 261 | S | A | -0.1060 | |
| 262 | P | A | -0.5808 | |
| 263 | P | A | -0.3686 | |
| 264 | P | A | -0.1650 | |
| 265 | S | A | 0.3453 | |
| 266 | P | A | 0.6827 | |
| 267 | L | A | 1.7068 | |
| 268 | Y | A | 1.3245 | |
| 269 | V | A | 1.1226 | |
| 270 | K | A | -0.4420 | |
| 271 | P | A | -0.0312 | |
| 272 | P | A | -0.5222 | |
| 273 | P | A | -0.3574 | |
| 274 | S | A | -0.1488 | |
| 275 | S | A | 0.2077 | |
| 276 | P | A | 0.5009 | |
| 277 | Y | A | 1.2215 | |
| 278 | A | A | 0.8908 | |
| 279 | V | A | 1.7840 | |
| 280 | L | A | 1.5287 | |
| 281 | P | A | 0.4460 | |
| 282 | S | A | 0.0000 | |
| 283 | Y | A | 0.9379 | |
| 284 | D | A | -0.1213 | |
| 285 | I | A | 1.4713 | |
| 286 | F | A | 0.6164 | |
| 287 | T | A | -0.0189 | |
| 288 | L | A | 0.0000 | |
| 289 | P | A | 0.0000 | |
| 290 | D | A | -0.8556 | |
| 291 | A | A | 0.0000 | |
| 292 | G | A | -0.3396 | |
| 293 | A | A | -0.1962 | |
| 294 | I | A | -0.4495 | |
| 295 | T | A | -1.1228 | |
| 296 | E | A | -2.1588 | |
| 297 | A | A | -1.5278 | |
| 298 | D | A | -1.9815 | |
| 299 | E | A | -1.5767 | |
| 300 | L | A | -1.1938 | |
| 301 | F | A | 0.0000 | |
| 302 | N | A | -1.2059 | |
| 303 | K | A | -1.5593 | |
| 304 | P | A | -0.6324 | |
| 305 | V | A | -0.0731 | |
| 306 | F | A | -0.4587 | |
| 307 | L | A | 0.0000 | |
| 308 | E | A | -2.3722 | |
| 309 | Q | A | -2.1486 | |
| 310 | A | A | 0.0000 | |
| 311 | P | A | -0.9858 | |
| 312 | G | A | -0.7313 | |
| 313 | L | A | -0.2287 | |
| 314 | N | A | 0.0000 | |
| 315 | N | A | 0.0000 | |
| 316 | G | A | 0.0000 | |
| 317 | V | A | 0.0000 | |
| 318 | C | A | 0.0000 | |
| 319 | W | A | 0.0000 | |
| 320 | Y | A | -0.2182 | |
| 321 | N | A | -0.3835 | |
| 322 | Q | A | -0.4341 | |
| 323 | L | A | 0.0000 | |
| 324 | Y | A | 0.0000 | |
| 325 | I | A | 0.0000 | |
| 326 | T | A | 0.0000 | |
| 327 | I | A | 0.0000 | |
| 328 | V | A | 0.0000 | |
| 329 | D | A | 0.0000 | |
| 330 | N | A | 0.0000 | |
| 331 | S | A | 0.0000 | |
| 332 | R | A | -0.8164 | |
| 333 | A | A | 0.0000 | |
| 334 | E | A | -2.6954 | |
| 335 | I | A | -2.3240 | |
| 336 | E | A | -3.2782 | |
| 337 | E | A | -3.0935 | |
| 338 | I | A | -1.1199 | |
| 339 | R | A | -1.7049 | |
| 340 | T | A | -0.8058 | |
| 341 | R | A | -1.1088 | |
| 342 | V | A | 0.8968 | |
| 343 | S | A | 0.0046 | |
| 344 | T | A | -0.3168 | |
| 345 | P | A | -0.6090 | |
| 346 | A | A | -0.3763 | |
| 347 | P | A | -0.5504 | |
| 348 | D | A | -0.8145 | |
| 349 | V | A | 1.2544 | |
| 350 | Y | A | 1.2292 | |
| 351 | D | A | -0.2446 | |
| 352 | P | A | -0.2216 | |
| 353 | S | A | -0.1116 | |
| 354 | N | A | -0.0065 | |
| 355 | Y | A | 0.2176 | |
| 356 | V | A | 1.1568 | |
| 357 | T | A | -0.4518 | |
| 358 | S | A | -0.9559 | |
| 359 | K | A | -2.0320 | |
| 360 | R | A | -1.8785 | |
| 361 | Y | A | 0.0000 | |
| 362 | T | A | -0.9963 | |
| 363 | A | A | 0.0000 | |
| 364 | E | A | -0.5749 | |
| 365 | Y | A | 0.0000 | |
| 366 | Q | A | -0.7651 | |
| 367 | L | A | 0.0000 | |
| 368 | S | A | 0.0000 | |
| 369 | F | A | 0.0000 | |
| 370 | V | A | 0.0000 | |
| 371 | F | A | 0.0000 | |
| 372 | Q | A | 0.0000 | |
| 373 | L | A | 0.0000 | |
| 374 | C | A | 0.0000 | |
| 375 | R | A | -1.0776 | |
| 376 | I | A | 0.0000 | |
| 377 | P | A | -1.0638 | |
| 378 | L | A | -1.0060 | |
| 379 | T | A | -0.9390 | |
| 380 | P | A | -1.5358 | |
| 381 | E | A | -2.4597 | |
| 382 | I | A | 0.0000 | |
| 383 | L | A | -1.7867 | |
| 384 | D | A | -3.0286 | |
| 385 | Y | A | 0.0000 | |
| 386 | L | A | 0.0000 | |
| 387 | R | A | -2.5610 | |
| 388 | S | A | -1.5943 | |
| 389 | L | A | -0.6500 | |
| 390 | D | A | 0.0000 | |
| 391 | P | A | -1.5212 | |
| 392 | R | A | -1.3150 | |
| 393 | F | A | 0.0000 | |
| 394 | L | A | 0.0000 | |
| 395 | V | A | -1.3220 | |
| 396 | D | A | -1.5839 | |
| 397 | S | A | -1.3425 | |
| 398 | N | A | -1.3055 | |
| 399 | L | A | 0.0000 | |
| 400 | P | A | 0.1769 | |
| 401 | F | A | 1.7584 | |
| 402 | I | A | 0.5126 | |
| 403 | P | A | -0.5996 | |
| 404 | P | A | -1.7579 | |
| 405 | E | A | -3.0779 | |
| 406 | E | A | -3.1244 | |
| 407 | R | A | -2.4039 | |
| 408 | P | A | -1.5641 | |
| 409 | D | A | -1.2990 | |
| 410 | P | A | -0.6829 | |
| 411 | Y | A | -0.4040 | |
| 412 | A | A | -0.5808 | |
| 413 | G | A | -0.6641 | |
| 414 | L | A | -0.5930 | |
| 415 | K | A | -1.9230 | |
| 416 | F | A | -1.3689 | |
| 417 | K | A | -1.7072 | |
| 418 | E | A | -2.4951 | |
| 419 | I | A | -1.8198 | |
| 420 | D | A | -2.5719 | |
| 421 | L | A | 0.0000 | |
| 422 | T | A | -1.4525 | |
| 423 | N | A | -2.0028 | |
| 424 | K | A | -1.9498 | |
| 425 | F | A | -0.7441 | |
| 426 | S | A | -1.1362 | |
| 427 | T | A | -0.9382 | |
| 428 | E | A | -2.4015 | |
| 429 | L | A | 0.0000 | |
| 430 | E | A | -3.8739 | |
| 431 | K | A | -3.7540 | |
| 432 | S | A | -2.9282 | |
| 433 | E | A | -2.9929 | |
| 434 | L | A | 0.0000 | |
| 435 | G | A | 0.0000 | |
| 436 | R | A | -3.3822 | |
| 437 | L | A | -1.3625 | |
| 438 | F | A | -0.8822 | |
| 439 | L | A | -0.6403 | |
| 440 | N | A | -1.9596 | |
| 441 | R | A | -2.0437 |
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