| Chain sequence(s) |
A: MEILDSGGVTMPTENGGADLDTLRHRKPRSDSSNGLLPDSVTVSDADVRDRVDSAVEDTQGKANLAGENEIRESGGEAGGNVDVRYTYRPSVPAHRRVRESPLSSDAIFKQSHAGLFNLCVVVLVAVNSRLIIENLMKYGWLIRTDFWFSSTSLRDWPLFMCCLSLSIFPLAAFTVEKLVLQKCISEPVVIILHIIITMTEVLYPVYVTLRCDSAFLSGVTLMLLTCIVWLKLVSYAHTNYDIRTLANSSDKANPEVSYYVSLKSLAYFMLAPTLCYQPSYPRSPCIRKGWVARQFAKLIIFTGFMGFIIEQYINPIVRNSKHPLKGDLLYGVERVLKLSVPNLYVWLCMFYCFFHLWLNILAELLCFGDREFYKDWWNAKSVGDYWRMWNMPVHKWMVRHVYFPCLRRNIPKVPAIILAFLVSAVFHELCIAVPCRLFKLWAFLGIMFQVPLVFITNYLQERFGSMVGNMIFWFTFCIFGQPMCVLLYYHDLMNRKGKMS
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | No |
| pH calculations | No |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] runJob: FoldX not utilized. Treating input pdb file as it was already optimized. (00:00:01)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:00:01)
[INFO] Main: Simulation completed successfully. (00:00:05)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | M | A | 0.6169 | |
| 2 | E | A | -0.0586 | |
| 3 | I | A | 1.5929 | |
| 4 | L | A | 1.0242 | |
| 5 | D | A | -0.8726 | |
| 6 | S | A | -0.8476 | |
| 7 | G | A | -0.8014 | |
| 8 | G | A | 0.1060 | |
| 9 | V | A | 1.6144 | |
| 10 | T | A | 1.1400 | |
| 11 | M | A | 1.2000 | |
| 12 | P | A | -0.0551 | |
| 13 | T | A | -1.1246 | |
| 14 | E | A | -2.6373 | |
| 15 | N | A | -2.5304 | |
| 16 | G | A | -1.7236 | |
| 17 | G | A | -1.1254 | |
| 18 | A | A | -1.1090 | |
| 19 | D | A | -1.5858 | |
| 20 | L | A | -0.0602 | |
| 21 | D | A | -1.2009 | |
| 22 | T | A | -0.4184 | |
| 23 | L | A | -0.0528 | |
| 24 | R | A | -2.0616 | |
| 25 | H | A | -3.0340 | |
| 26 | R | A | -3.7160 | |
| 27 | K | A | -3.3425 | |
| 28 | P | A | -2.5720 | |
| 29 | R | A | -3.0238 | |
| 30 | S | A | -2.0769 | |
| 31 | D | A | -2.4419 | |
| 32 | S | A | -1.5051 | |
| 33 | S | A | -1.3784 | |
| 34 | N | A | -1.3340 | |
| 35 | G | A | -0.0716 | |
| 36 | L | A | 1.7779 | |
| 37 | L | A | 1.6730 | |
| 38 | P | A | 0.0800 | |
| 39 | D | A | -1.2697 | |
| 40 | S | A | -0.0792 | |
| 41 | V | A | 1.6715 | |
| 42 | T | A | 1.1060 | |
| 43 | V | A | 1.5349 | |
| 44 | S | A | -0.4772 | |
| 45 | D | A | -2.2564 | |
| 46 | A | A | -2.3695 | |
| 47 | D | A | -2.7945 | |
| 48 | V | A | -1.5564 | |
| 49 | R | A | -3.3235 | |
| 50 | D | A | -3.6732 | |
| 51 | R | A | -2.6637 | |
| 52 | V | A | -0.9257 | |
| 53 | D | A | -1.7561 | |
| 54 | S | A | -2.0889 | |
| 55 | A | A | -1.3935 | |
| 56 | V | A | -1.4302 | |
| 57 | E | A | -2.9627 | |
| 58 | D | A | -3.1790 | |
| 59 | T | A | -2.4335 | |
| 60 | Q | A | -2.8987 | |
| 61 | G | A | -2.6151 | |
| 62 | K | A | -2.6612 | |
| 63 | A | A | -1.6496 | |
| 64 | N | A | -1.6342 | |
| 65 | L | A | -0.1167 | |
| 66 | A | A | -0.8680 | |
| 67 | G | A | -1.3805 | |
| 68 | E | A | -2.6543 | |
| 69 | N | A | -2.9546 | |
| 70 | E | A | -2.5804 | |
| 71 | I | A | -0.7357 | |
| 72 | R | A | -2.5463 | |
| 73 | E | A | -2.6617 | |
| 74 | S | A | -1.6785 | |
| 75 | G | A | -1.7767 | |
| 76 | G | A | -1.6677 | |
| 77 | E | A | -2.2665 | |
| 78 | A | A | -1.4641 | |
| 79 | G | A | -1.2378 | |
| 80 | G | A | -1.1425 | |
| 81 | N | A | -0.8883 | |
| 82 | V | A | 0.7215 | |
| 83 | D | A | -0.4238 | |
| 84 | V | A | 0.8944 | |
| 85 | R | A | -0.8358 | |
| 86 | Y | A | 0.8672 | |
| 87 | T | A | 0.8962 | |
| 88 | Y | A | 0.6057 | |
| 89 | R | A | 0.0611 | |
| 90 | P | A | 0.0000 | |
| 91 | S | A | 0.2653 | |
| 92 | V | A | 0.1993 | |
| 93 | P | A | -0.5372 | |
| 94 | A | A | -0.6558 | |
| 95 | H | A | 0.0000 | |
| 96 | R | A | -2.2640 | |
| 97 | R | A | -1.9802 | |
| 98 | V | A | -0.3975 | |
| 99 | R | A | -1.5797 | |
| 100 | E | A | -2.0456 | |
| 101 | S | A | 0.0000 | |
| 102 | P | A | -0.8821 | |
| 103 | L | A | -0.1021 | |
| 104 | S | A | -0.6195 | |
| 105 | S | A | -0.7545 | |
| 106 | D | A | -1.2683 | |
| 107 | A | A | -0.1441 | |
| 108 | I | A | 0.8680 | |
| 109 | F | A | 0.8799 | |
| 110 | K | A | -1.4557 | |
| 111 | Q | A | -1.7617 | |
| 112 | S | A | -1.0416 | |
| 113 | H | A | -0.8787 | |
| 114 | A | A | 0.2115 | |
| 115 | G | A | 0.7533 | |
| 116 | L | A | 2.6251 | |
| 117 | F | A | 3.0631 | |
| 118 | N | A | 2.0102 | |
| 119 | L | A | 4.0880 | |
| 120 | C | A | 4.2457 | |
| 121 | V | A | 4.4434 | |
| 122 | V | A | 5.0795 | |
| 123 | V | A | 4.9466 | |
| 124 | L | A | 4.5785 | |
| 125 | V | A | 4.3860 | |
| 126 | A | A | 3.0307 | |
| 127 | V | A | 3.0982 | |
| 128 | N | A | 2.0826 | |
| 129 | S | A | 1.3343 | |
| 130 | R | A | -0.0073 | |
| 131 | L | A | 1.3050 | |
| 132 | I | A | 1.5989 | |
| 133 | I | A | 1.6338 | |
| 134 | E | A | -0.0581 | |
| 135 | N | A | 0.4376 | |
| 136 | L | A | 1.3353 | |
| 137 | M | A | 1.0330 | |
| 138 | K | A | -0.7385 | |
| 139 | Y | A | 0.3125 | |
| 140 | G | A | 0.9173 | |
| 141 | W | A | 1.4355 | |
| 142 | L | A | 0.9338 | |
| 143 | I | A | 0.4804 | |
| 144 | R | A | -1.2462 | |
| 145 | T | A | -0.5935 | |
| 146 | D | A | -1.1862 | |
| 147 | F | A | 0.6063 | |
| 148 | W | A | 1.1901 | |
| 149 | F | A | 1.4484 | |
| 150 | S | A | 0.1277 | |
| 151 | S | A | -0.0739 | |
| 152 | T | A | -0.3749 | |
| 153 | S | A | 0.5426 | |
| 154 | L | A | 0.9799 | |
| 155 | R | A | -1.0598 | |
| 156 | D | A | 0.1312 | |
| 157 | W | A | 1.6420 | |
| 158 | P | A | 0.8460 | |
| 159 | L | A | 0.0000 | |
| 160 | F | A | 2.6546 | |
| 161 | M | A | 2.1924 | |
| 162 | C | A | 0.0000 | |
| 163 | C | A | 1.8420 | |
| 164 | L | A | 2.4048 | |
| 165 | S | A | 1.7434 | |
| 166 | L | A | 0.0000 | |
| 167 | S | A | 1.5708 | |
| 168 | I | A | 2.7088 | |
| 169 | F | A | 1.6466 | |
| 170 | P | A | 0.0000 | |
| 171 | L | A | 2.2126 | |
| 172 | A | A | 1.2301 | |
| 173 | A | A | 0.0000 | |
| 174 | F | A | 0.9422 | |
| 175 | T | A | 0.4436 | |
| 176 | V | A | 0.0000 | |
| 177 | E | A | 0.0000 | |
| 178 | K | A | -0.4387 | |
| 179 | L | A | -0.0315 | |
| 180 | V | A | -0.1895 | |
| 181 | L | A | 0.1709 | |
| 182 | Q | A | -1.2573 | |
| 183 | K | A | -1.5594 | |
| 184 | C | A | -0.0326 | |
| 185 | I | A | 0.1699 | |
| 186 | S | A | -0.1610 | |
| 187 | E | A | -0.3198 | |
| 188 | P | A | 0.6893 | |
| 189 | V | A | 1.9800 | |
| 190 | V | A | 0.0000 | |
| 191 | I | A | 2.9624 | |
| 192 | I | A | 4.0954 | |
| 193 | L | A | 3.3994 | |
| 194 | H | A | 0.0000 | |
| 195 | I | A | 4.3493 | |
| 196 | I | A | 4.0415 | |
| 197 | I | A | 2.8056 | |
| 198 | T | A | 0.0000 | |
| 199 | M | A | 2.6581 | |
| 200 | T | A | 2.0571 | |
| 201 | E | A | 0.0000 | |
| 202 | V | A | 1.6904 | |
| 203 | L | A | 2.5463 | |
| 204 | Y | A | 1.9609 | |
| 205 | P | A | 0.0000 | |
| 206 | V | A | 1.5845 | |
| 207 | Y | A | 1.8641 | |
| 208 | V | A | 0.7054 | |
| 209 | T | A | 0.0000 | |
| 210 | L | A | -0.0782 | |
| 211 | R | A | -1.3627 | |
| 212 | C | A | -1.2060 | |
| 213 | D | A | -1.9562 | |
| 214 | S | A | -0.6947 | |
| 215 | A | A | 0.2047 | |
| 216 | F | A | 1.0941 | |
| 217 | L | A | 1.9987 | |
| 218 | S | A | 1.3568 | |
| 219 | G | A | 0.0000 | |
| 220 | V | A | 1.4017 | |
| 221 | T | A | 1.3151 | |
| 222 | L | A | 0.0000 | |
| 223 | M | A | 0.0000 | |
| 224 | L | A | 1.7149 | |
| 225 | L | A | 1.4880 | |
| 226 | T | A | 0.0000 | |
| 227 | C | A | 0.0000 | |
| 228 | I | A | 1.3314 | |
| 229 | V | A | 1.1163 | |
| 230 | W | A | 0.8900 | |
| 231 | L | A | 0.0000 | |
| 232 | K | A | 0.0000 | |
| 233 | L | A | 0.0000 | |
| 234 | V | A | 0.4304 | |
| 235 | S | A | 0.0000 | |
| 236 | Y | A | 0.0000 | |
| 237 | A | A | 0.4546 | |
| 238 | H | A | -0.0397 | |
| 239 | T | A | 0.0000 | |
| 240 | N | A | 0.0000 | |
| 241 | Y | A | 0.5327 | |
| 242 | D | A | 0.0000 | |
| 243 | I | A | 0.6110 | |
| 244 | R | A | 0.0000 | |
| 245 | T | A | -0.1952 | |
| 246 | L | A | 0.0161 | |
| 247 | A | A | -1.0957 | |
| 248 | N | A | -1.8011 | |
| 249 | S | A | -1.7004 | |
| 250 | S | A | -2.2674 | |
| 251 | D | A | -3.1652 | |
| 252 | K | A | -3.0605 | |
| 253 | A | A | -2.1281 | |
| 254 | N | A | -2.4895 | |
| 255 | P | A | -1.9796 | |
| 256 | E | A | -1.7906 | |
| 257 | V | A | -0.1087 | |
| 258 | S | A | 0.1886 | |
| 259 | Y | A | 0.9488 | |
| 260 | Y | A | 1.6044 | |
| 261 | V | A | 0.7967 | |
| 262 | S | A | 0.2438 | |
| 263 | L | A | 0.4830 | |
| 264 | K | A | -1.0794 | |
| 265 | S | A | -0.4404 | |
| 266 | L | A | 0.0000 | |
| 267 | A | A | 0.3894 | |
| 268 | Y | A | 0.4362 | |
| 269 | F | A | 0.0000 | |
| 270 | M | A | 0.8828 | |
| 271 | L | A | 1.7888 | |
| 272 | A | A | 0.0000 | |
| 273 | P | A | 0.0000 | |
| 274 | T | A | 0.0000 | |
| 275 | L | A | 0.0000 | |
| 276 | C | A | 0.0000 | |
| 277 | Y | A | 0.0000 | |
| 278 | Q | A | 0.0000 | |
| 279 | P | A | -0.0196 | |
| 280 | S | A | -0.7127 | |
| 281 | Y | A | 0.0000 | |
| 282 | P | A | -1.2147 | |
| 283 | R | A | -1.1806 | |
| 284 | S | A | -0.1087 | |
| 285 | P | A | -0.1856 | |
| 286 | C | A | 0.5957 | |
| 287 | I | A | 0.6195 | |
| 288 | R | A | -1.1158 | |
| 289 | K | A | -1.9795 | |
| 290 | G | A | -1.5781 | |
| 291 | W | A | -1.0873 | |
| 292 | V | A | -0.4752 | |
| 293 | A | A | -0.9517 | |
| 294 | R | A | -1.7080 | |
| 295 | Q | A | 0.0000 | |
| 296 | F | A | 1.6982 | |
| 297 | A | A | 1.1212 | |
| 298 | K | A | 0.8715 | |
| 299 | L | A | 2.3656 | |
| 300 | I | A | 3.5670 | |
| 301 | I | A | 3.6304 | |
| 302 | F | A | 2.7656 | |
| 303 | T | A | 2.2335 | |
| 304 | G | A | 2.0683 | |
| 305 | F | A | 2.7227 | |
| 306 | M | A | 1.8881 | |
| 307 | G | A | 0.0000 | |
| 308 | F | A | 1.3926 | |
| 309 | I | A | 0.0000 | |
| 310 | I | A | 0.8997 | |
| 311 | E | A | 0.0000 | |
| 312 | Q | A | 0.0000 | |
| 313 | Y | A | 0.5905 | |
| 314 | I | A | 0.0000 | |
| 315 | N | A | 0.0000 | |
| 316 | P | A | -0.6288 | |
| 317 | I | A | -0.8915 | |
| 318 | V | A | 0.0000 | |
| 319 | R | A | -2.7399 | |
| 320 | N | A | -2.3945 | |
| 321 | S | A | 0.0000 | |
| 322 | K | A | -2.5394 | |
| 323 | H | A | -1.5078 | |
| 324 | P | A | 0.0000 | |
| 325 | L | A | 0.5611 | |
| 326 | K | A | -1.5965 | |
| 327 | G | A | -1.0356 | |
| 328 | D | A | -0.5029 | |
| 329 | L | A | 1.7018 | |
| 330 | L | A | 2.0969 | |
| 331 | Y | A | 0.9320 | |
| 332 | G | A | 0.9011 | |
| 333 | V | A | 1.9969 | |
| 334 | E | A | 0.6446 | |
| 335 | R | A | 0.1252 | |
| 336 | V | A | 1.2023 | |
| 337 | L | A | 1.1935 | |
| 338 | K | A | -0.3454 | |
| 339 | L | A | 0.0000 | |
| 340 | S | A | 0.0000 | |
| 341 | V | A | 1.5057 | |
| 342 | P | A | 0.8234 | |
| 343 | N | A | 0.7865 | |
| 344 | L | A | 1.1575 | |
| 345 | Y | A | 1.2984 | |
| 346 | V | A | 1.3426 | |
| 347 | W | A | 1.0531 | |
| 348 | L | A | 1.1047 | |
| 349 | C | A | 1.3361 | |
| 350 | M | A | 1.1089 | |
| 351 | F | A | 0.0000 | |
| 352 | Y | A | 0.9985 | |
| 353 | C | A | 0.0000 | |
| 354 | F | A | 1.3284 | |
| 355 | F | A | 0.0000 | |
| 356 | H | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | W | A | 1.3925 | |
| 359 | L | A | 0.0000 | |
| 360 | N | A | 0.0000 | |
| 361 | I | A | 0.0000 | |
| 362 | L | A | 1.2713 | |
| 363 | A | A | 0.0000 | |
| 364 | E | A | 0.0000 | |
| 365 | L | A | 1.5352 | |
| 366 | L | A | 1.3119 | |
| 367 | C | A | 0.4337 | |
| 368 | F | A | 0.0000 | |
| 369 | G | A | 0.0000 | |
| 370 | D | A | 0.0000 | |
| 371 | R | A | 0.0000 | |
| 372 | E | A | -1.0082 | |
| 373 | F | A | 0.0000 | |
| 374 | Y | A | 0.0000 | |
| 375 | K | A | -1.3071 | |
| 376 | D | A | -1.2995 | |
| 377 | W | A | 0.0000 | |
| 378 | W | A | -0.8645 | |
| 379 | N | A | -1.7614 | |
| 380 | A | A | 0.0000 | |
| 381 | K | A | -1.6614 | |
| 382 | S | A | 0.0000 | |
| 383 | V | A | 0.0000 | |
| 384 | G | A | 0.0000 | |
| 385 | D | A | -1.3709 | |
| 386 | Y | A | 0.0000 | |
| 387 | W | A | -0.4097 | |
| 388 | R | A | -1.2683 | |
| 389 | M | A | -1.0351 | |
| 390 | W | A | 0.0000 | |
| 391 | N | A | -0.4873 | |
| 392 | M | A | 0.0000 | |
| 393 | P | A | -0.1559 | |
| 394 | V | A | 0.1902 | |
| 395 | H | A | -0.3372 | |
| 396 | K | A | -0.3019 | |
| 397 | W | A | 0.0000 | |
| 398 | M | A | 0.5798 | |
| 399 | V | A | 0.4755 | |
| 400 | R | A | 0.0000 | |
| 401 | H | A | 0.0000 | |
| 402 | V | A | 0.7217 | |
| 403 | Y | A | 0.7794 | |
| 404 | F | A | 0.0248 | |
| 405 | P | A | -0.5737 | |
| 406 | C | A | 0.0000 | |
| 407 | L | A | -1.0319 | |
| 408 | R | A | -1.5496 | |
| 409 | R | A | -2.5220 | |
| 410 | N | A | -2.0542 | |
| 411 | I | A | -0.6593 | |
| 412 | P | A | -0.8111 | |
| 413 | K | A | -0.7590 | |
| 414 | V | A | 0.9280 | |
| 415 | P | A | 0.8445 | |
| 416 | A | A | 0.0000 | |
| 417 | I | A | 1.4570 | |
| 418 | I | A | 1.9321 | |
| 419 | L | A | 1.7227 | |
| 420 | A | A | 1.5036 | |
| 421 | F | A | 1.8359 | |
| 422 | L | A | 2.1228 | |
| 423 | V | A | 1.5472 | |
| 424 | S | A | 1.2139 | |
| 425 | A | A | 0.0000 | |
| 426 | V | A | 2.2533 | |
| 427 | F | A | 1.2328 | |
| 428 | H | A | 0.8685 | |
| 429 | E | A | 0.0000 | |
| 430 | L | A | 1.3096 | |
| 431 | C | A | 0.8728 | |
| 432 | I | A | 1.0777 | |
| 433 | A | A | 0.0000 | |
| 434 | V | A | 0.0000 | |
| 435 | P | A | 0.4301 | |
| 436 | C | A | 0.0000 | |
| 437 | R | A | -0.0339 | |
| 438 | L | A | 0.7975 | |
| 439 | F | A | 1.9267 | |
| 440 | K | A | 0.8404 | |
| 441 | L | A | 2.3227 | |
| 442 | W | A | 1.7373 | |
| 443 | A | A | 0.0000 | |
| 444 | F | A | 2.5984 | |
| 445 | L | A | 2.8959 | |
| 446 | G | A | 2.0535 | |
| 447 | I | A | 0.0000 | |
| 448 | M | A | 2.2441 | |
| 449 | F | A | 2.5375 | |
| 450 | Q | A | 0.0000 | |
| 451 | V | A | 0.0000 | |
| 452 | P | A | 1.4791 | |
| 453 | L | A | 1.8327 | |
| 454 | V | A | 1.7446 | |
| 455 | F | A | 2.5446 | |
| 456 | I | A | 2.6395 | |
| 457 | T | A | 0.0000 | |
| 458 | N | A | 0.1431 | |
| 459 | Y | A | 1.2857 | |
| 460 | L | A | 0.7827 | |
| 461 | Q | A | -0.3992 | |
| 462 | E | A | -1.7519 | |
| 463 | R | A | -1.5002 | |
| 464 | F | A | 0.9375 | |
| 465 | G | A | -0.1015 | |
| 466 | S | A | -0.4021 | |
| 467 | M | A | 1.2344 | |
| 468 | V | A | 1.2265 | |
| 469 | G | A | 0.0000 | |
| 470 | N | A | 0.3427 | |
| 471 | M | A | 1.9962 | |
| 472 | I | A | 1.9146 | |
| 473 | F | A | 0.0000 | |
| 474 | W | A | 1.9179 | |
| 475 | F | A | 2.9607 | |
| 476 | T | A | 2.0985 | |
| 477 | F | A | 0.0000 | |
| 478 | C | A | 2.0087 | |
| 479 | I | A | 2.3698 | |
| 480 | F | A | 2.6358 | |
| 481 | G | A | 0.0000 | |
| 482 | Q | A | 0.8676 | |
| 483 | P | A | 0.0000 | |
| 484 | M | A | 0.0000 | |
| 485 | C | A | 1.2127 | |
| 486 | V | A | 0.7223 | |
| 487 | L | A | 0.0000 | |
| 488 | L | A | 0.6963 | |
| 489 | Y | A | 0.0000 | |
| 490 | Y | A | 0.3004 | |
| 491 | H | A | 0.0000 | |
| 492 | D | A | -0.9179 | |
| 493 | L | A | -0.8813 | |
| 494 | M | A | -1.7038 | |
| 495 | N | A | -2.6651 | |
| 496 | R | A | -2.9055 | |
| 497 | K | A | -2.9441 | |
| 498 | G | A | -2.6605 | |
| 499 | K | A | -2.5798 | |
| 500 | M | A | -0.9600 | |
| 501 | S | A | -0.9976 |
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