| Chain sequence(s) |
A: MSPSRSEPLIDNLVDRSNLKIVALASPADGHTFPLLRIVEELVLRGYDVTLLASEDYRARTAAVGAYFVPVPPYDDIQRITTEISVIADPGERMNAAMIELFIKPTAGRMATLYAALEDVKREKPLHKVVLLTESFFLGDHPLFLGAPLPKGFTRRPRAINIHACSYGLSSVDSAPFGLTIIPDGTAESREKYRKLHSDMMTGSLAESVALQKKVLTELGATNMDEVEGRNPLDVIATTADVTLQMCPPSLEYRRSDIHPKVRFIGALPPRAPQKTFSAPPFWNTVINGSKRVVVVSQGTVAVRYDQLLVPAMHALADRDDIVVVAILGQKGAKLPGEVVIPSNAYTVDYLSYDAMLPYASVFVLNAGYGGFMHGIVNGVPMVLAGGSEDKPEVANRGEFAGVGINLRTGTPSQRQIRQGVDEILSNPKYKRRVKEIQLENEKMKAMDSVEKEILKWAAMD
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | YR67A,VR86A,VR301A,AR302A,IR181A |
| Energy difference between WT (input) and mutated protein (by FoldX) | -0.0991839 kcal/mol |
| 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] FoldX: Starting FoldX energy minimalization (00:00:00)
[INFO] FoldX: Building mutant model (00:03:27)
[INFO] FoldX: Starting FoldX energy minimalization (00:04:37)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:07:38)
[INFO] Main: Simulation completed successfully. (00:07:41)
|
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 | 0.8617 | |
| 2 | S | A | -0.1340 | |
| 3 | P | A | -0.6981 | |
| 4 | S | A | -1.4416 | |
| 5 | R | A | -2.6622 | |
| 6 | S | A | -1.9151 | |
| 7 | E | A | -2.1000 | |
| 8 | P | A | -0.8480 | |
| 9 | L | A | 0.3645 | |
| 10 | I | A | -0.2079 | |
| 11 | D | A | -1.7254 | |
| 12 | N | A | -1.2648 | |
| 13 | L | A | 0.3090 | |
| 14 | V | A | -0.9472 | |
| 15 | D | A | -2.3563 | |
| 16 | R | A | -2.0633 | |
| 17 | S | A | -1.5344 | |
| 18 | N | A | -1.3871 | |
| 19 | L | A | 0.0000 | |
| 20 | K | A | 0.0000 | |
| 21 | I | A | 0.0000 | |
| 22 | V | A | 0.0000 | |
| 23 | A | A | 0.0000 | |
| 24 | L | A | 0.0000 | |
| 25 | A | A | 0.0000 | |
| 26 | S | A | 0.0000 | |
| 27 | P | A | -0.7612 | |
| 28 | A | A | -0.5154 | |
| 29 | D | A | -1.1527 | |
| 30 | G | A | -0.9059 | |
| 31 | H | A | -0.3823 | |
| 32 | T | A | 0.0000 | |
| 33 | F | A | 0.4160 | |
| 34 | P | A | -0.0092 | |
| 35 | L | A | 0.0000 | |
| 36 | L | A | 0.0000 | |
| 37 | R | A | -0.7206 | |
| 38 | I | A | 0.0000 | |
| 39 | V | A | 0.0000 | |
| 40 | E | A | -0.9796 | |
| 41 | E | A | -0.6649 | |
| 42 | L | A | 0.0000 | |
| 43 | V | A | 0.0128 | |
| 44 | L | A | 0.7958 | |
| 45 | R | A | -0.2467 | |
| 46 | G | A | -0.4906 | |
| 47 | Y | A | 0.0000 | |
| 48 | D | A | -1.2340 | |
| 49 | V | A | 0.0000 | |
| 50 | T | A | 0.0000 | |
| 51 | L | A | 0.0000 | |
| 52 | L | A | 0.0000 | |
| 53 | A | A | 0.0000 | |
| 54 | S | A | -1.5581 | |
| 55 | E | A | -2.4915 | |
| 56 | D | A | -2.9808 | |
| 57 | Y | A | 0.0000 | |
| 58 | R | A | -2.4906 | |
| 59 | A | A | -1.5107 | |
| 60 | R | A | -1.9210 | |
| 61 | T | A | 0.0000 | |
| 62 | A | A | -1.1039 | |
| 63 | A | A | -0.8002 | |
| 64 | V | A | -0.4303 | |
| 65 | G | A | -0.8907 | |
| 66 | A | A | 0.0000 | |
| 67 | R | A | -2.0916 | mutated: YR67A |
| 68 | F | A | 0.0000 | |
| 69 | V | A | -0.5698 | |
| 70 | P | A | -0.9090 | |
| 71 | V | A | 0.0000 | |
| 72 | P | A | -0.7152 | |
| 73 | P | A | -0.9732 | |
| 74 | Y | A | -1.3214 | |
| 75 | D | A | -2.3304 | |
| 76 | D | A | -2.1371 | |
| 77 | I | A | -1.6956 | |
| 78 | Q | A | -2.5279 | |
| 79 | R | A | -3.2249 | |
| 80 | I | A | 0.0000 | |
| 81 | T | A | -2.1115 | |
| 82 | T | A | -2.3176 | |
| 83 | E | A | -3.0871 | |
| 84 | I | A | 0.0000 | |
| 85 | S | A | -2.1642 | |
| 86 | R | A | -2.5818 | mutated: VR86A |
| 87 | I | A | -1.9128 | |
| 88 | A | A | -1.3454 | |
| 89 | D | A | -2.0350 | |
| 90 | P | A | -1.4262 | |
| 91 | G | A | 0.0000 | |
| 92 | E | A | -2.4453 | |
| 93 | R | A | -2.2695 | |
| 94 | M | A | -1.1564 | |
| 95 | N | A | 0.0000 | |
| 96 | A | A | -1.2704 | |
| 97 | A | A | -0.9922 | |
| 98 | M | A | 0.0000 | |
| 99 | I | A | 0.0000 | |
| 100 | E | A | -1.3192 | |
| 101 | L | A | -0.5309 | |
| 102 | F | A | -0.5006 | |
| 103 | I | A | 0.0000 | |
| 104 | K | A | -1.8836 | |
| 105 | P | A | -1.2235 | |
| 106 | T | A | 0.0000 | |
| 107 | A | A | -0.5534 | |
| 108 | G | A | -0.5155 | |
| 109 | R | A | 0.0000 | |
| 110 | M | A | 0.0000 | |
| 111 | A | A | 0.0604 | |
| 112 | T | A | 0.0298 | |
| 113 | L | A | 0.0000 | |
| 114 | Y | A | -0.3089 | |
| 115 | A | A | -0.6362 | |
| 116 | A | A | 0.0000 | |
| 117 | L | A | 0.0000 | |
| 118 | E | A | -2.5256 | |
| 119 | D | A | -3.3401 | |
| 120 | V | A | 0.0000 | |
| 121 | K | A | -2.8155 | |
| 122 | R | A | -3.8549 | |
| 123 | E | A | -3.3617 | |
| 124 | K | A | -2.0833 | |
| 125 | P | A | -1.3334 | |
| 126 | L | A | 0.4839 | |
| 127 | H | A | -0.6787 | |
| 128 | K | A | -1.3254 | |
| 129 | V | A | 0.0000 | |
| 130 | V | A | 0.0000 | |
| 131 | L | A | 0.0000 | |
| 132 | L | A | 0.0000 | |
| 133 | T | A | 0.0000 | |
| 134 | E | A | 0.0000 | |
| 135 | S | A | 0.0000 | |
| 136 | F | A | 0.0000 | |
| 137 | F | A | 0.0000 | |
| 138 | L | A | 0.0000 | |
| 139 | G | A | 0.0000 | |
| 140 | D | A | 0.0000 | |
| 141 | H | A | 0.0000 | |
| 142 | P | A | 0.0000 | |
| 143 | L | A | 0.0000 | |
| 144 | F | A | 0.0000 | |
| 145 | L | A | 0.0000 | |
| 146 | G | A | -0.6629 | |
| 147 | A | A | 0.0000 | |
| 148 | P | A | -0.4810 | |
| 149 | L | A | -0.5157 | |
| 150 | P | A | 0.0000 | |
| 151 | K | A | -2.3066 | |
| 152 | G | A | -2.0873 | |
| 153 | F | A | -1.2477 | |
| 154 | T | A | -1.1918 | |
| 155 | R | A | -2.3271 | |
| 156 | R | A | -1.6064 | |
| 157 | P | A | 0.0000 | |
| 158 | R | A | -1.1514 | |
| 159 | A | A | 0.0000 | |
| 160 | I | A | 0.0000 | |
| 161 | N | A | 0.0000 | |
| 162 | I | A | 0.0000 | |
| 163 | H | A | 0.0000 | |
| 164 | A | A | 0.0098 | |
| 165 | C | A | -0.1663 | |
| 166 | S | A | 0.0000 | |
| 167 | Y | A | 0.0000 | |
| 168 | G | A | 0.0000 | |
| 169 | L | A | 0.0000 | |
| 170 | S | A | -0.3568 | |
| 171 | S | A | 0.0000 | |
| 172 | V | A | -1.2287 | |
| 173 | D | A | 0.0000 | |
| 174 | S | A | 0.0000 | |
| 175 | A | A | 0.0000 | |
| 176 | P | A | 0.0000 | |
| 177 | F | A | -0.0909 | |
| 178 | G | A | -0.9418 | |
| 179 | L | A | -0.1794 | |
| 180 | T | A | -0.6828 | |
| 181 | R | A | -0.9821 | mutated: IR181A |
| 182 | I | A | -0.1515 | |
| 183 | P | A | 0.0000 | |
| 184 | D | A | -2.3896 | |
| 185 | G | A | -1.9041 | |
| 186 | T | A | -1.7651 | |
| 187 | A | A | -1.9206 | |
| 188 | E | A | -3.1564 | |
| 189 | S | A | -3.0846 | |
| 190 | R | A | -3.3997 | |
| 191 | E | A | -4.2063 | |
| 192 | K | A | -3.6646 | |
| 193 | Y | A | 0.0000 | |
| 194 | R | A | -3.9461 | |
| 195 | K | A | -3.9053 | |
| 196 | L | A | -2.4629 | |
| 197 | H | A | -1.8602 | |
| 198 | S | A | -2.2126 | |
| 199 | D | A | -2.6463 | |
| 200 | M | A | 0.0000 | |
| 201 | M | A | -1.1139 | |
| 202 | T | A | -1.0903 | |
| 203 | G | A | -1.4877 | |
| 204 | S | A | -1.6880 | |
| 205 | L | A | 0.0000 | |
| 206 | A | A | -1.2937 | |
| 207 | E | A | -1.9641 | |
| 208 | S | A | 0.0000 | |
| 209 | V | A | -1.0037 | |
| 210 | A | A | -1.1556 | |
| 211 | L | A | -1.0989 | |
| 212 | Q | A | 0.0000 | |
| 213 | K | A | -1.8724 | |
| 214 | K | A | -1.8796 | |
| 215 | V | A | -1.4621 | |
| 216 | L | A | 0.0000 | |
| 217 | T | A | -1.5504 | |
| 218 | E | A | -2.1406 | |
| 219 | L | A | -0.9060 | |
| 220 | G | A | -0.7760 | |
| 221 | A | A | 0.0000 | |
| 222 | T | A | -1.0675 | |
| 223 | N | A | -1.7084 | |
| 224 | M | A | -1.9520 | |
| 225 | D | A | -2.8112 | |
| 226 | E | A | -2.0548 | |
| 227 | V | A | 0.0000 | |
| 228 | E | A | -2.7211 | |
| 229 | G | A | -1.7003 | |
| 230 | R | A | -1.4379 | |
| 231 | N | A | 0.0000 | |
| 232 | P | A | 0.0000 | |
| 233 | L | A | 0.0000 | |
| 234 | D | A | -0.3796 | |
| 235 | V | A | 0.0000 | |
| 236 | I | A | 0.0000 | |
| 237 | A | A | 0.0000 | |
| 238 | T | A | 0.0000 | |
| 239 | T | A | 0.0000 | |
| 240 | A | A | 0.0000 | |
| 241 | D | A | -0.4021 | |
| 242 | V | A | 0.0000 | |
| 243 | T | A | 0.0000 | |
| 244 | L | A | 0.0000 | |
| 245 | Q | A | 0.0000 | |
| 246 | M | A | 0.0000 | |
| 247 | C | A | 0.0000 | |
| 248 | P | A | 0.0000 | |
| 249 | P | A | -0.6650 | |
| 250 | S | A | -0.6429 | |
| 251 | L | A | 0.0000 | |
| 252 | E | A | 0.0000 | |
| 253 | Y | A | 0.0000 | |
| 254 | R | A | -2.2648 | |
| 255 | R | A | -1.3495 | |
| 256 | S | A | -0.9436 | |
| 257 | D | A | -1.0498 | |
| 258 | I | A | -0.4392 | |
| 259 | H | A | -0.6256 | |
| 260 | P | A | -0.7482 | |
| 261 | K | A | -0.8912 | |
| 262 | V | A | 0.0000 | |
| 263 | R | A | -1.2658 | |
| 264 | F | A | -0.3480 | |
| 265 | I | A | 0.0000 | |
| 266 | G | A | 0.0000 | |
| 267 | A | A | 0.0000 | |
| 268 | L | A | 0.0000 | |
| 269 | P | A | -1.1278 | |
| 270 | P | A | -0.6201 | |
| 271 | R | A | -0.9885 | |
| 272 | A | A | -0.9077 | |
| 273 | P | A | -1.1897 | |
| 274 | Q | A | -1.8716 | |
| 275 | K | A | -2.1180 | |
| 276 | T | A | -1.0492 | |
| 277 | F | A | -0.5150 | |
| 278 | S | A | -0.3591 | |
| 279 | A | A | -0.1600 | |
| 280 | P | A | -0.1142 | |
| 281 | P | A | -0.4242 | |
| 282 | F | A | 0.0000 | |
| 283 | W | A | -0.6514 | |
| 284 | N | A | -1.5548 | |
| 285 | T | A | -1.1547 | |
| 286 | V | A | 0.0000 | |
| 287 | I | A | -0.6859 | |
| 288 | N | A | -1.6453 | |
| 289 | G | A | -1.6481 | |
| 290 | S | A | -1.5003 | |
| 291 | K | A | -2.5992 | |
| 292 | R | A | -2.0942 | |
| 293 | V | A | 0.0000 | |
| 294 | V | A | 0.0000 | |
| 295 | V | A | 0.0000 | |
| 296 | V | A | 0.0000 | |
| 297 | S | A | 0.0000 | |
| 298 | Q | A | 0.0000 | |
| 299 | G | A | -0.7786 | |
| 300 | T | A | -1.3896 | |
| 301 | R | A | -2.3366 | mutated: VR301A |
| 302 | R | A | -1.5565 | mutated: AR302A |
| 303 | V | A | -0.5428 | |
| 304 | R | A | -2.0381 | |
| 305 | Y | A | 0.0000 | |
| 306 | D | A | -2.1481 | |
| 307 | Q | A | -1.5225 | |
| 308 | L | A | 0.0000 | |
| 309 | L | A | 0.0000 | |
| 310 | V | A | -0.3677 | |
| 311 | P | A | -1.1406 | |
| 312 | A | A | 0.0000 | |
| 313 | M | A | 0.0000 | |
| 314 | H | A | -0.5550 | |
| 315 | A | A | 0.0000 | |
| 316 | L | A | 0.0000 | |
| 317 | A | A | -1.2412 | |
| 318 | D | A | -2.5798 | |
| 319 | R | A | -2.5920 | |
| 320 | D | A | -3.1500 | |
| 321 | D | A | -2.7219 | |
| 322 | I | A | 0.0000 | |
| 323 | V | A | 0.0000 | |
| 324 | V | A | 0.0000 | |
| 325 | V | A | 0.0000 | |
| 326 | A | A | 0.0000 | |
| 327 | I | A | 0.0000 | |
| 328 | L | A | 0.0000 | |
| 329 | G | A | 0.0000 | |
| 330 | Q | A | -2.0095 | |
| 331 | K | A | -2.3557 | |
| 332 | G | A | -1.8472 | |
| 333 | A | A | -1.5276 | |
| 334 | K | A | -2.0268 | |
| 335 | L | A | -0.8951 | |
| 336 | P | A | -1.1668 | |
| 337 | G | A | -1.2458 | |
| 338 | E | A | -1.3423 | |
| 339 | V | A | 0.2218 | |
| 340 | V | A | 1.8457 | |
| 341 | I | A | 1.8103 | |
| 342 | P | A | 0.5997 | |
| 343 | S | A | -0.2176 | |
| 344 | N | A | -0.9255 | |
| 345 | A | A | 0.0000 | |
| 346 | Y | A | 0.5838 | |
| 347 | T | A | 0.2945 | |
| 348 | V | A | -0.2788 | |
| 349 | D | A | -1.1898 | |
| 350 | Y | A | -0.1563 | |
| 351 | L | A | 0.0000 | |
| 352 | S | A | 0.0736 | |
| 353 | Y | A | 0.0544 | |
| 354 | D | A | 0.0000 | |
| 355 | A | A | 0.0000 | |
| 356 | M | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | P | A | 0.1578 | |
| 359 | Y | A | 0.4695 | |
| 360 | A | A | 0.0000 | |
| 361 | S | A | -0.4592 | |
| 362 | V | A | 0.0000 | |
| 363 | F | A | 0.0000 | |
| 364 | V | A | 0.0000 | |
| 365 | L | A | 0.0000 | |
| 366 | N | A | -0.5268 | |
| 367 | A | A | 0.0000 | |
| 368 | G | A | -1.1271 | |
| 369 | Y | A | -0.4343 | |
| 370 | G | A | -0.4601 | |
| 371 | G | A | -0.3342 | |
| 372 | F | A | 0.0000 | |
| 373 | M | A | 0.0000 | |
| 374 | H | A | -0.3916 | |
| 375 | G | A | 0.0000 | |
| 376 | I | A | 0.0000 | |
| 377 | V | A | 0.0000 | |
| 378 | N | A | -0.3416 | |
| 379 | G | A | 0.0000 | |
| 380 | V | A | 0.0000 | |
| 381 | P | A | 0.0000 | |
| 382 | M | A | 0.0000 | |
| 383 | V | A | 0.0000 | |
| 384 | L | A | 0.0000 | |
| 385 | A | A | 0.0000 | |
| 386 | G | A | 0.0000 | |
| 387 | G | A | -1.5559 | |
| 388 | S | A | -1.5943 | |
| 389 | E | A | -2.4769 | |
| 390 | D | A | -1.9531 | |
| 391 | K | A | -1.5358 | |
| 392 | P | A | -1.5384 | |
| 393 | E | A | 0.0000 | |
| 394 | V | A | 0.0000 | |
| 395 | A | A | 0.0000 | |
| 396 | N | A | 0.0000 | |
| 397 | R | A | 0.0000 | |
| 398 | G | A | 0.0000 | |
| 399 | E | A | -0.2782 | |
| 400 | F | A | 0.0670 | |
| 401 | A | A | 0.0000 | |
| 402 | G | A | -0.7369 | |
| 403 | V | A | 0.0000 | |
| 404 | G | A | 0.0000 | |
| 405 | I | A | -0.3397 | |
| 406 | N | A | 0.0000 | |
| 407 | L | A | 0.0000 | |
| 408 | R | A | -2.0106 | |
| 409 | T | A | -1.3146 | |
| 410 | G | A | -0.9197 | |
| 411 | T | A | -1.0187 | |
| 412 | P | A | 0.0000 | |
| 413 | S | A | -1.4281 | |
| 414 | Q | A | -2.2438 | |
| 415 | R | A | -2.9983 | |
| 416 | Q | A | -2.5010 | |
| 417 | I | A | 0.0000 | |
| 418 | R | A | -2.3051 | |
| 419 | Q | A | -2.4648 | |
| 420 | G | A | 0.0000 | |
| 421 | V | A | 0.0000 | |
| 422 | D | A | -1.6972 | |
| 423 | E | A | -1.5861 | |
| 424 | I | A | 0.0000 | |
| 425 | L | A | -1.1105 | |
| 426 | S | A | -0.9831 | |
| 427 | N | A | -1.6817 | |
| 428 | P | A | -2.0531 | |
| 429 | K | A | -2.8408 | |
| 430 | Y | A | -2.3461 | |
| 431 | K | A | -2.8896 | |
| 432 | R | A | -3.8126 | |
| 433 | R | A | -2.9113 | |
| 434 | V | A | 0.0000 | |
| 435 | K | A | -2.7787 | |
| 436 | E | A | -2.8658 | |
| 437 | I | A | 0.0000 | |
| 438 | Q | A | -1.8185 | |
| 439 | L | A | -1.3874 | |
| 440 | E | A | -2.0749 | |
| 441 | N | A | 0.0000 | |
| 442 | E | A | -3.0068 | |
| 443 | K | A | -2.9664 | |
| 444 | M | A | -2.1873 | |
| 445 | K | A | -3.2022 | |
| 446 | A | A | 0.0000 | |
| 447 | M | A | 0.0000 | |
| 448 | D | A | -2.5133 | |
| 449 | S | A | -1.7309 | |
| 450 | V | A | 0.0000 | |
| 451 | E | A | -1.6407 | |
| 452 | K | A | -1.5927 | |
| 453 | E | A | -0.9983 | |
| 454 | I | A | 0.0000 | |
| 455 | L | A | 0.0000 | |
| 456 | K | A | -0.7749 | |
| 457 | W | A | -0.5395 | |
| 458 | A | A | 0.0000 | |
| 459 | A | A | -0.2194 | |
| 460 | M | A | -0.2639 | |
| 461 | D | A | -2.0404 |
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