| Chain sequence(s) |
A: MLGPLPLNPEPAPRPTSSYVTPTDLYCIAETDTITETGNPTEDIVVDGKVATPRVSAYQWRVFKLTLPDPNKFPLPSPDFVDPATEILIWRLEAYYIGRGGALGKGTYGHPNFNALGDVDNPTTPQHETADVRQNLSFTPVRTQAYIIGCLPPIGKYVAPAPPCPGLPPGACPPTTEVSAIIEHGDMCDIGFGARDFAALDPSKDRVPDLILNTTCKVPDIDGMKAEPYGLRMFDYDSSSSSSTSRTLRLAGPDLHPLPNSPPPSPLYTPPPATSPFATPAPTNLFTIPDSGTITASDELFNKPRFLTKTPGLNDGVCWYNQIYVTVVDNTRDTITTTTTQIATPTINVYNASYYTTSKTYTQTYQLSMIVQLCRIPLTPETLAYLERLDPRILVNANLPDIPPVEEEDPYKGKKFLELDLTDKLSTDLSKSWLGRKYLNR
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 | 1.6259 | |
| 2 | L | A | 2.0224 | |
| 3 | G | A | 0.7756 | |
| 4 | P | A | 0.9114 | |
| 5 | L | A | 1.6605 | |
| 6 | P | A | 0.4867 | |
| 7 | L | A | 0.8675 | |
| 8 | N | A | -1.0257 | |
| 9 | P | A | -1.4453 | |
| 10 | E | A | -2.3003 | |
| 11 | P | A | -1.3746 | |
| 12 | A | A | -0.8086 | |
| 13 | P | A | -0.6319 | |
| 14 | R | A | -0.7323 | |
| 15 | P | A | -0.4810 | |
| 16 | T | A | 0.0000 | |
| 17 | S | A | -0.5032 | |
| 18 | S | A | -0.3989 | |
| 19 | Y | A | -0.4412 | |
| 20 | V | A | 0.0000 | |
| 21 | T | A | -0.3917 | |
| 22 | P | A | -0.7389 | |
| 23 | T | A | 0.0000 | |
| 24 | D | A | -1.6668 | |
| 25 | L | A | -0.5635 | |
| 26 | Y | A | -0.2428 | |
| 27 | C | A | 0.0000 | |
| 28 | I | A | 0.0000 | |
| 29 | A | A | 0.0000 | |
| 30 | E | A | -1.3771 | |
| 31 | T | A | 0.0000 | |
| 32 | D | A | -2.1417 | |
| 33 | T | A | -1.1899 | |
| 34 | I | A | -0.5372 | |
| 35 | T | A | -0.4778 | |
| 36 | E | A | -0.4150 | |
| 37 | T | A | -0.3706 | |
| 38 | G | A | 0.0000 | |
| 39 | N | A | -1.3985 | |
| 40 | P | A | 0.0000 | |
| 41 | T | A | -1.5366 | |
| 42 | E | A | -2.1009 | |
| 43 | D | A | -1.0427 | |
| 44 | I | A | 1.0068 | |
| 45 | V | A | 2.0043 | |
| 46 | V | A | 1.5669 | |
| 47 | D | A | -0.9820 | |
| 48 | G | A | -0.6092 | |
| 49 | K | A | -0.5076 | |
| 50 | V | A | 1.3455 | |
| 51 | A | A | 1.0948 | |
| 52 | T | A | 0.3902 | |
| 53 | P | A | -0.5357 | |
| 54 | R | A | -1.3171 | |
| 55 | V | A | 0.0000 | |
| 56 | S | 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 | -1.1852 | |
| 65 | L | A | 0.0000 | |
| 66 | T | A | -1.1339 | |
| 67 | L | A | 0.0000 | |
| 68 | P | A | -1.2316 | |
| 69 | D | A | -1.2173 | |
| 70 | P | A | 0.0000 | |
| 71 | N | A | -1.6836 | |
| 72 | K | A | -2.0819 | |
| 73 | F | A | -0.8684 | |
| 74 | P | A | -0.5058 | |
| 75 | L | A | -0.2530 | |
| 76 | P | A | -0.3354 | |
| 77 | S | A | -0.7059 | |
| 78 | P | A | -1.2197 | |
| 79 | D | A | -2.0884 | |
| 80 | F | A | -0.9894 | |
| 81 | V | A | -1.2899 | |
| 82 | D | A | -1.9833 | |
| 83 | P | A | -1.2416 | |
| 84 | A | A | -0.6194 | |
| 85 | T | A | -0.7171 | |
| 86 | E | A | -1.0242 | |
| 87 | I | A | 0.0000 | |
| 88 | L | A | 0.0000 | |
| 89 | I | A | 0.0000 | |
| 90 | W | A | 0.0000 | |
| 91 | R | A | -0.4852 | |
| 92 | L | A | 0.0000 | |
| 93 | E | A | -0.3544 | |
| 94 | A | A | 0.0000 | |
| 95 | Y | A | 0.0000 | |
| 96 | Y | A | -0.3984 | |
| 97 | I | A | 0.0000 | |
| 98 | G | A | 0.0000 | |
| 99 | R | A | 0.0000 | |
| 100 | G | A | -0.4397 | |
| 101 | G | A | -0.3772 | |
| 102 | A | A | 0.0116 | |
| 103 | L | A | 0.3921 | |
| 104 | G | A | -0.1158 | |
| 105 | K | A | -0.6496 | |
| 106 | G | A | 0.0000 | |
| 107 | T | A | -0.3244 | |
| 108 | Y | A | 0.0000 | |
| 109 | G | A | -0.9103 | |
| 110 | H | A | 0.0000 | |
| 111 | P | A | -1.8589 | |
| 112 | N | A | -2.7948 | |
| 113 | F | A | 0.0000 | |
| 114 | N | A | 0.0000 | |
| 115 | A | A | 0.0000 | |
| 116 | L | A | -1.0244 | |
| 117 | G | A | -1.1697 | |
| 118 | D | A | -1.6102 | |
| 119 | V | A | -1.3631 | |
| 120 | D | A | -2.7585 | |
| 121 | N | A | -2.4596 | |
| 122 | P | A | -1.5738 | |
| 123 | T | A | -0.8728 | |
| 124 | T | A | -0.6718 | |
| 125 | P | A | -0.3927 | |
| 126 | Q | A | -0.9207 | |
| 127 | H | A | -1.4574 | |
| 128 | E | A | -1.9737 | |
| 129 | T | A | -1.4599 | |
| 130 | A | A | -1.1727 | |
| 131 | D | A | -2.4355 | |
| 132 | V | A | -1.9583 | |
| 133 | R | A | -2.8289 | |
| 134 | Q | A | -2.8320 | |
| 135 | N | A | -2.4878 | |
| 136 | L | A | 0.0000 | |
| 137 | S | A | -0.7427 | |
| 138 | F | A | 0.0000 | |
| 139 | T | A | -0.4850 | |
| 140 | P | A | 0.0000 | |
| 141 | V | A | -0.2742 | |
| 142 | R | A | 0.0000 | |
| 143 | T | A | -0.2130 | |
| 144 | Q | A | 0.0000 | |
| 145 | A | 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 | L | A | 0.0000 | |
| 152 | P | A | 0.0000 | |
| 153 | P | A | 0.0000 | |
| 154 | I | A | 0.3318 | |
| 155 | G | A | 0.0000 | |
| 156 | K | A | -0.2666 | |
| 157 | Y | A | -0.3947 | |
| 158 | V | A | -0.4012 | |
| 159 | A | A | -0.4124 | |
| 160 | P | A | -0.4580 | |
| 161 | A | A | -0.3674 | |
| 162 | P | A | -0.3232 | |
| 163 | P | A | 0.0207 | |
| 164 | C | A | 0.4951 | |
| 165 | P | A | 0.0038 | |
| 166 | G | A | -0.1023 | |
| 167 | L | A | 0.5251 | |
| 168 | P | A | -0.1349 | |
| 169 | P | A | -0.3702 | |
| 170 | G | A | -0.1257 | |
| 171 | A | A | 0.3967 | |
| 172 | C | A | 0.8142 | |
| 173 | P | A | 0.1265 | |
| 174 | P | A | 0.0175 | |
| 175 | T | A | -0.4112 | |
| 176 | T | A | -0.7997 | |
| 177 | E | A | -1.5399 | |
| 178 | V | A | -0.5433 | |
| 179 | S | A | -0.2468 | |
| 180 | A | A | 0.0230 | |
| 181 | I | A | -0.1623 | |
| 182 | I | A | 0.0000 | |
| 183 | E | A | -1.0845 | |
| 184 | H | A | -1.1832 | |
| 185 | G | A | -0.6980 | |
| 186 | D | A | -0.6311 | |
| 187 | M | A | 0.0000 | |
| 188 | C | A | 0.0000 | |
| 189 | D | A | -0.3616 | |
| 190 | I | A | 0.0000 | |
| 191 | G | A | -0.3874 | |
| 192 | F | A | -0.2660 | |
| 193 | G | A | -0.3028 | |
| 194 | A | A | -0.4427 | |
| 195 | R | A | -0.6797 | |
| 196 | D | A | -0.5298 | |
| 197 | F | A | 0.0000 | |
| 198 | A | A | -0.8666 | |
| 199 | A | A | -0.2947 | |
| 200 | L | A | -0.2708 | |
| 201 | D | A | 0.0000 | |
| 202 | P | A | -0.8938 | |
| 203 | S | A | -1.0447 | |
| 204 | K | A | -1.9936 | |
| 205 | D | A | -1.9374 | |
| 206 | R | A | -1.6258 | |
| 207 | V | A | 0.0000 | |
| 208 | P | A | 0.0000 | |
| 209 | D | A | -1.5541 | |
| 210 | L | A | 0.0000 | |
| 211 | I | A | 0.0000 | |
| 212 | L | A | -1.2621 | |
| 213 | N | A | -1.4676 | |
| 214 | T | A | -0.8188 | |
| 215 | T | A | -0.5562 | |
| 216 | C | A | 0.0000 | |
| 217 | K | A | 0.0000 | |
| 218 | V | A | 0.4306 | |
| 219 | P | A | 0.0474 | |
| 220 | D | A | -0.7212 | |
| 221 | I | A | -1.1104 | |
| 222 | D | A | -2.4443 | |
| 223 | G | A | -1.6487 | |
| 224 | M | A | 0.0000 | |
| 225 | K | A | -2.5267 | |
| 226 | A | A | -1.5360 | |
| 227 | E | A | -1.1421 | |
| 228 | P | A | -0.5738 | |
| 229 | Y | A | -0.2481 | |
| 230 | G | A | 0.0000 | |
| 231 | L | A | -0.1797 | |
| 232 | R | A | -0.3728 | |
| 233 | M | A | 0.0000 | |
| 234 | F | A | 0.0000 | |
| 235 | D | A | -0.6968 | |
| 236 | Y | A | -0.1499 | |
| 237 | D | A | -0.5967 | |
| 238 | S | A | -0.4278 | |
| 239 | S | A | -0.5687 | |
| 240 | S | A | -0.4300 | |
| 241 | S | A | -0.3624 | |
| 242 | S | A | -0.5699 | |
| 243 | S | A | -0.6446 | |
| 244 | T | A | -0.6374 | |
| 245 | S | A | -0.9677 | |
| 246 | R | A | -1.5503 | |
| 247 | T | A | -0.8416 | |
| 248 | L | A | 0.0000 | |
| 249 | R | A | -0.0894 | |
| 250 | L | A | 0.0000 | |
| 251 | A | A | -0.9006 | |
| 252 | G | A | -0.5650 | |
| 253 | P | A | -0.4356 | |
| 254 | D | A | -0.1040 | |
| 255 | L | A | 0.8002 | |
| 256 | H | A | -0.4338 | |
| 257 | P | A | -0.4601 | |
| 258 | L | A | 0.2878 | |
| 259 | P | A | -0.4646 | |
| 260 | N | A | -1.1622 | |
| 261 | S | A | -0.6732 | |
| 262 | P | A | -0.8083 | |
| 263 | P | A | -0.5792 | |
| 264 | P | A | -0.3242 | |
| 265 | S | A | -0.0457 | |
| 266 | P | A | 0.4024 | |
| 267 | L | A | 1.4146 | |
| 268 | Y | A | 0.6978 | |
| 269 | T | A | -0.0653 | |
| 270 | P | A | -0.1043 | |
| 271 | P | A | 0.1787 | |
| 272 | P | A | -0.0431 | |
| 273 | A | A | 0.1282 | |
| 274 | T | A | 0.0942 | |
| 275 | S | A | 0.4058 | |
| 276 | P | A | 0.4183 | |
| 277 | F | A | 1.5243 | |
| 278 | A | A | 0.5806 | |
| 279 | T | A | 0.1845 | |
| 280 | P | A | 0.1272 | |
| 281 | A | A | -0.2826 | |
| 282 | P | A | -0.3570 | |
| 283 | T | A | 0.1328 | |
| 284 | N | A | 0.2283 | |
| 285 | L | A | 1.3225 | |
| 286 | F | A | 0.5962 | |
| 287 | T | A | 0.0114 | |
| 288 | I | A | 0.0000 | |
| 289 | P | A | 0.0000 | |
| 290 | D | A | -0.8307 | |
| 291 | S | A | 0.0000 | |
| 292 | G | A | -0.4739 | |
| 293 | T | A | -0.3217 | |
| 294 | I | A | -0.0448 | |
| 295 | T | A | -0.2136 | |
| 296 | A | A | -0.2849 | |
| 297 | S | A | -0.7383 | |
| 298 | D | A | -1.2379 | |
| 299 | E | A | -0.9056 | |
| 300 | L | A | 0.0000 | |
| 301 | F | A | 0.0000 | |
| 302 | N | A | -1.0813 | |
| 303 | K | A | -1.2972 | |
| 304 | P | A | -0.7636 | |
| 305 | R | A | -0.6280 | |
| 306 | F | A | -0.3691 | |
| 307 | L | A | -0.5230 | |
| 308 | T | A | -0.8573 | |
| 309 | K | A | -1.8482 | |
| 310 | T | A | 0.0000 | |
| 311 | P | A | -1.0534 | |
| 312 | G | A | -0.8449 | |
| 313 | L | A | -0.2663 | |
| 314 | N | A | 0.0000 | |
| 315 | D | A | -0.9940 | |
| 316 | G | A | 0.0000 | |
| 317 | V | A | 0.0000 | |
| 318 | C | A | 0.0000 | |
| 319 | W | A | 0.0000 | |
| 320 | Y | A | -0.1664 | |
| 321 | N | A | -0.3356 | |
| 322 | Q | A | -0.4549 | |
| 323 | I | A | 0.0000 | |
| 324 | Y | A | 0.0000 | |
| 325 | V | A | 0.0000 | |
| 326 | T | A | 0.0000 | |
| 327 | V | A | 0.0000 | |
| 328 | V | A | 0.0000 | |
| 329 | D | A | 0.0000 | |
| 330 | N | A | 0.0000 | |
| 331 | T | A | 0.0000 | |
| 332 | R | A | 0.0000 | |
| 333 | D | A | 0.0000 | |
| 334 | T | A | -0.1463 | |
| 335 | I | A | -0.3128 | |
| 336 | T | A | -0.4907 | |
| 337 | T | A | -0.7637 | |
| 338 | T | A | -0.5401 | |
| 339 | T | A | -0.1674 | |
| 340 | T | A | 0.2157 | |
| 341 | Q | A | 0.5807 | |
| 342 | I | A | 1.9215 | |
| 343 | A | A | 0.9432 | |
| 344 | T | A | 0.2287 | |
| 345 | P | A | -0.3625 | |
| 346 | T | A | -0.1049 | |
| 347 | I | A | 0.4729 | |
| 348 | N | A | -0.0382 | |
| 349 | V | A | 1.8006 | |
| 350 | Y | A | 1.7537 | |
| 351 | N | A | 0.4359 | |
| 352 | A | A | 0.1053 | |
| 353 | S | A | 0.3726 | |
| 354 | Y | A | 1.3235 | |
| 355 | Y | A | 0.9263 | |
| 356 | T | A | 0.4183 | |
| 357 | T | A | -0.5797 | |
| 358 | S | A | -1.0211 | |
| 359 | K | A | -1.6678 | |
| 360 | T | A | -0.8931 | |
| 361 | Y | A | 0.0000 | |
| 362 | T | A | -0.2719 | |
| 363 | Q | A | 0.0000 | |
| 364 | T | A | -0.3734 | |
| 365 | Y | A | 0.0000 | |
| 366 | Q | A | -1.2138 | |
| 367 | L | A | 0.0000 | |
| 368 | S | A | 0.0000 | |
| 369 | M | A | 0.0000 | |
| 370 | I | A | 0.0000 | |
| 371 | V | A | 0.0000 | |
| 372 | Q | A | 0.0000 | |
| 373 | L | A | 0.0000 | |
| 374 | C | A | 0.0000 | |
| 375 | R | A | -0.8051 | |
| 376 | I | A | 0.0000 | |
| 377 | P | A | -0.5991 | |
| 378 | L | A | -0.2657 | |
| 379 | T | A | -0.6284 | |
| 380 | P | A | -0.9644 | |
| 381 | E | A | -1.7674 | |
| 382 | T | A | 0.0000 | |
| 383 | L | A | -0.8740 | |
| 384 | A | A | -1.4076 | |
| 385 | Y | A | 0.0000 | |
| 386 | L | A | 0.0000 | |
| 387 | E | A | -2.5379 | |
| 388 | R | A | -2.5067 | |
| 389 | L | A | -1.2825 | |
| 390 | D | A | -1.3913 | |
| 391 | P | A | -1.5934 | |
| 392 | R | A | -1.1256 | |
| 393 | I | A | 0.0000 | |
| 394 | L | A | 0.0000 | |
| 395 | V | A | -0.9198 | |
| 396 | N | A | -0.8005 | |
| 397 | A | A | -1.0339 | |
| 398 | N | A | -1.6466 | |
| 399 | L | A | -1.1315 | |
| 400 | P | A | -1.2750 | |
| 401 | D | A | -1.8179 | |
| 402 | I | A | -0.4475 | |
| 403 | P | A | -0.4218 | |
| 404 | P | A | -0.5876 | |
| 405 | V | A | -0.1291 | |
| 406 | E | A | -2.4934 | |
| 407 | E | A | -3.4733 | |
| 408 | E | A | -3.8438 | |
| 409 | D | A | -3.4535 | |
| 410 | P | A | -2.1840 | |
| 411 | Y | A | -2.0841 | |
| 412 | K | A | -3.2178 | |
| 413 | G | A | -2.2955 | |
| 414 | K | A | -2.6487 | |
| 415 | K | A | -2.7859 | |
| 416 | F | A | -1.4526 | |
| 417 | L | A | -1.1320 | |
| 418 | E | A | -2.2599 | |
| 419 | L | A | -1.6963 | |
| 420 | D | A | -2.5843 | |
| 421 | L | A | 0.0000 | |
| 422 | T | A | -1.6223 | |
| 423 | D | A | -2.4286 | |
| 424 | K | A | -2.1716 | |
| 425 | L | A | -0.9029 | |
| 426 | S | A | -0.9737 | |
| 427 | T | A | -0.5181 | |
| 428 | D | A | -1.3398 | |
| 429 | L | A | 0.0000 | |
| 430 | S | A | -1.5153 | |
| 431 | K | A | -2.1095 | |
| 432 | S | A | 0.0000 | |
| 433 | W | A | -0.4370 | |
| 434 | L | A | 0.0000 | |
| 435 | G | A | 0.0000 | |
| 436 | R | A | -1.9648 | |
| 437 | K | A | -1.7373 | |
| 438 | Y | A | -0.8717 | |
| 439 | L | A | -0.3318 | |
| 440 | N | A | -2.0293 | |
| 441 | R | A | -2.2463 |
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