| Chain sequence(s) |
A: MNHKVHHHHHHIEGRHMQAKLTKKEFIEWLKTSEGKQFNVDLWYGFQCFDYANAGWKVLFGLLLKGLGAKDIPFANNFDGLATVYQNTPDFLAQPGDMVVFGSNYGAGYGHVAWVIEATLDYIIVYEQNWLGGGWTDRIEQPGWGWEKVTRRQHAYDFPMWFIRPNFKSETAPRSIQSPTQASKKETAKPQPKAVELKIIKDVVKGYDLPKRGGNPKGIVIHNDAGSKGATAEAYRNGLVNAPLSRLEAGIAHSYVSGNTVWQALDESQVGWHTANQLGNKYYYGIEVCQSMGADNATFLKNEQATFQECARLLKKWGLPANRNTIRLHNEFTSTSCPHRSSVLHTGFDPVTRGLLPEDKQLQLKDYFIKQIRVYMDGKIPVATVSNESSASSNTVKPVASAWKRNKYGTYYMEENARFTNGNQPITVRKIGPFLSCPVAYQFQPGGYCDYTEVMLQDGHVWVGYTWEGQRYYLPIRTWNGSAPPNQILGDLWGEIS
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 (00:00:02)
[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 | 0.0252 | |
| 2 | N | A | -1.4880 | |
| 3 | H | A | -1.8428 | |
| 4 | K | A | -1.9165 | |
| 5 | V | A | -0.2984 | |
| 6 | H | A | -1.5609 | |
| 7 | H | A | -2.0837 | |
| 8 | H | A | -2.4201 | |
| 9 | H | A | -2.3648 | |
| 10 | H | A | -2.0207 | |
| 11 | H | A | -1.4970 | |
| 12 | I | A | -0.1765 | |
| 13 | E | A | -2.1246 | |
| 14 | G | A | -2.2714 | |
| 15 | R | A | -2.9009 | |
| 16 | H | A | -2.6064 | |
| 17 | M | A | -1.6076 | |
| 18 | Q | A | -2.1058 | |
| 19 | A | A | 0.0000 | |
| 20 | K | A | -2.4082 | |
| 21 | L | A | -2.0109 | |
| 22 | T | A | -2.7757 | |
| 23 | K | A | -2.6397 | |
| 24 | K | A | -3.2675 | |
| 25 | E | A | -3.2524 | |
| 26 | F | A | 0.0000 | |
| 27 | I | A | -1.9351 | |
| 28 | E | A | -2.8925 | |
| 29 | W | A | -1.6823 | |
| 30 | L | A | 0.0000 | |
| 31 | K | A | -2.4492 | |
| 32 | T | A | -1.7407 | |
| 33 | S | A | 0.0000 | |
| 34 | E | A | -2.9481 | |
| 35 | G | A | -2.5582 | |
| 36 | K | A | -2.5690 | |
| 37 | Q | A | -1.3841 | |
| 38 | F | A | -0.2887 | |
| 39 | N | A | 0.5889 | |
| 40 | V | A | 0.2600 | |
| 41 | D | A | -0.1285 | |
| 42 | L | A | 0.8881 | |
| 43 | W | A | 0.7035 | |
| 44 | Y | A | 0.3949 | |
| 45 | G | A | 0.0000 | |
| 46 | F | A | 0.4636 | |
| 47 | Q | A | 0.1634 | |
| 48 | C | A | 0.0313 | |
| 49 | F | A | 0.1273 | |
| 50 | D | A | 0.0000 | |
| 51 | Y | A | 0.0000 | |
| 52 | A | A | 0.0000 | |
| 53 | N | A | 0.0000 | |
| 54 | A | A | 0.0000 | |
| 55 | G | A | 0.0000 | |
| 56 | W | A | 0.0000 | |
| 57 | K | A | -0.9399 | |
| 58 | V | A | -0.3279 | |
| 59 | L | A | 0.0000 | |
| 60 | F | A | 0.0000 | |
| 61 | G | A | -0.5362 | |
| 62 | L | A | 0.5020 | |
| 63 | L | A | 0.6635 | |
| 64 | L | A | 0.0000 | |
| 65 | K | A | -1.1111 | |
| 66 | G | A | -0.0760 | |
| 67 | L | A | 1.1943 | |
| 68 | G | A | 0.0000 | |
| 69 | A | A | 0.0000 | |
| 70 | K | A | -0.0526 | |
| 71 | D | A | 0.1350 | |
| 72 | I | A | 0.0000 | |
| 73 | P | A | 0.0000 | |
| 74 | F | A | 1.2875 | |
| 75 | A | A | 0.0491 | |
| 76 | N | A | -0.8597 | |
| 77 | N | A | -1.6637 | |
| 78 | F | A | 0.0000 | |
| 79 | D | A | -2.5453 | |
| 80 | G | A | -2.0428 | |
| 81 | L | A | -1.3669 | |
| 82 | A | A | 0.0000 | |
| 83 | T | A | -0.1465 | |
| 84 | V | A | 0.5002 | |
| 85 | Y | A | 0.4028 | |
| 86 | Q | A | -0.3065 | |
| 87 | N | A | 0.0000 | |
| 88 | T | A | -0.3536 | |
| 89 | P | A | -0.6348 | |
| 90 | D | A | -1.4148 | |
| 91 | F | A | -0.1327 | |
| 92 | L | A | 0.9139 | |
| 93 | A | A | 0.0000 | |
| 94 | Q | A | -0.4283 | |
| 95 | P | A | -0.7412 | |
| 96 | G | A | 0.0000 | |
| 97 | D | A | 0.0000 | |
| 98 | M | A | 0.0000 | |
| 99 | V | A | 0.0000 | |
| 100 | V | A | 0.0000 | |
| 101 | F | A | 0.0000 | |
| 102 | G | A | 0.0000 | |
| 103 | S | A | -0.4283 | |
| 104 | N | A | -1.0258 | |
| 105 | Y | A | -0.3427 | |
| 106 | G | A | -0.1169 | |
| 107 | A | A | -0.1062 | |
| 108 | G | A | -0.0800 | |
| 109 | Y | A | 0.9680 | |
| 110 | G | A | 0.0000 | |
| 111 | H | A | 0.0000 | |
| 112 | V | A | 0.0000 | |
| 113 | A | A | 0.0000 | |
| 114 | W | A | 0.0000 | |
| 115 | V | A | 0.0000 | |
| 116 | I | A | -0.8566 | |
| 117 | E | A | -0.8391 | |
| 118 | A | A | -0.1251 | |
| 119 | T | A | 0.2306 | |
| 120 | L | A | 0.5425 | |
| 121 | D | A | -0.3135 | |
| 122 | Y | A | -0.0438 | |
| 123 | I | A | 0.0000 | |
| 124 | I | A | 0.0000 | |
| 125 | V | A | 0.0000 | |
| 126 | Y | A | 0.0000 | |
| 127 | E | A | 0.0000 | |
| 128 | Q | A | 0.0000 | |
| 129 | N | A | 0.1819 | |
| 130 | W | A | 0.5973 | |
| 131 | L | A | 1.3505 | |
| 132 | G | A | 0.4471 | |
| 133 | G | A | 0.0000 | |
| 134 | G | A | 0.0000 | |
| 135 | W | A | 0.5796 | |
| 136 | T | A | -0.0462 | |
| 137 | D | A | -0.5532 | |
| 138 | R | A | -1.4155 | |
| 139 | I | A | 0.1952 | |
| 140 | E | A | -1.0654 | |
| 141 | Q | A | -0.9265 | |
| 142 | P | A | 0.1409 | |
| 143 | G | A | 0.0000 | |
| 144 | W | A | 1.2002 | |
| 145 | G | A | 0.0000 | |
| 146 | W | A | 1.0060 | |
| 147 | E | A | 0.0000 | |
| 148 | K | A | -1.9480 | |
| 149 | V | A | 0.0000 | |
| 150 | T | A | -1.9855 | |
| 151 | R | A | -2.2953 | |
| 152 | R | A | -1.4612 | |
| 153 | Q | A | -1.5508 | |
| 154 | H | A | -0.7164 | |
| 155 | A | A | -0.1965 | |
| 156 | Y | A | 0.4118 | |
| 157 | D | A | 0.2129 | |
| 158 | F | A | 1.3130 | |
| 159 | P | A | 0.5267 | |
| 160 | M | A | 0.0000 | |
| 161 | W | A | 0.1106 | |
| 162 | F | A | 0.0000 | |
| 163 | I | A | 0.0000 | |
| 164 | R | A | -0.2322 | |
| 165 | P | A | 0.0000 | |
| 166 | N | A | -1.5809 | |
| 167 | F | A | -1.8899 | |
| 168 | K | A | -2.7150 | |
| 169 | S | A | -2.0223 | |
| 170 | E | A | -2.6349 | |
| 171 | T | A | -1.4620 | |
| 172 | A | A | -1.0911 | |
| 173 | P | A | -1.1760 | |
| 174 | R | A | -1.7233 | |
| 175 | S | A | -0.5437 | |
| 176 | I | A | 0.7988 | |
| 177 | Q | A | -0.6869 | |
| 178 | S | A | -0.6262 | |
| 179 | P | A | -0.9415 | |
| 180 | T | A | -1.0023 | |
| 181 | Q | A | -1.5072 | |
| 182 | A | A | -1.2773 | |
| 183 | S | A | -1.9487 | |
| 184 | K | A | -3.2051 | |
| 185 | K | A | -3.4579 | |
| 186 | E | A | -3.3619 | |
| 187 | T | A | -2.0643 | |
| 188 | A | A | -1.7080 | |
| 189 | K | A | -2.3870 | |
| 190 | P | A | -1.9599 | |
| 191 | Q | A | -2.2005 | |
| 192 | P | A | -1.7326 | |
| 193 | K | A | -2.0408 | |
| 194 | A | A | -0.7402 | |
| 195 | V | A | -0.0353 | |
| 196 | E | A | -1.5891 | |
| 197 | L | A | -1.0762 | |
| 198 | K | A | -1.7036 | |
| 199 | I | A | -0.6933 | |
| 200 | I | A | -0.7277 | |
| 201 | K | A | -1.6152 | |
| 202 | D | A | -0.9069 | |
| 203 | V | A | -0.6658 | |
| 204 | V | A | 0.0000 | |
| 205 | K | A | -2.2406 | |
| 206 | G | A | -1.5777 | |
| 207 | Y | A | -1.1411 | |
| 208 | D | A | -2.1027 | |
| 209 | L | A | 0.0000 | |
| 210 | P | A | -1.5337 | |
| 211 | K | A | -2.4853 | |
| 212 | R | A | 0.0000 | |
| 213 | G | A | -1.5344 | |
| 214 | G | A | -1.8754 | |
| 215 | N | A | -2.1771 | |
| 216 | P | A | 0.0000 | |
| 217 | K | A | -2.1133 | |
| 218 | G | A | 0.0000 | |
| 219 | I | A | 0.0000 | |
| 220 | V | A | 0.0000 | |
| 221 | I | A | 0.0000 | |
| 222 | H | A | 0.0000 | |
| 223 | N | A | 0.0000 | |
| 224 | D | A | -0.1395 | |
| 225 | A | A | -0.0165 | |
| 226 | G | A | 0.0000 | |
| 227 | S | A | -0.9387 | |
| 228 | K | A | -2.1674 | |
| 229 | G | A | -1.4776 | |
| 230 | A | A | -0.9635 | |
| 231 | T | A | -1.0845 | |
| 232 | A | A | 0.0000 | |
| 233 | E | A | -1.5585 | |
| 234 | A | A | -1.2104 | |
| 235 | Y | A | -1.0134 | |
| 236 | R | A | -1.7898 | |
| 237 | N | A | -2.1744 | |
| 238 | G | A | -1.6727 | |
| 239 | L | A | 0.0000 | |
| 240 | V | A | 0.0000 | |
| 241 | N | A | -2.2141 | |
| 242 | A | A | 0.0000 | |
| 243 | P | A | -1.1641 | |
| 244 | L | A | -0.9625 | |
| 245 | S | A | -1.0778 | |
| 246 | R | A | -1.7967 | |
| 247 | L | A | 0.0000 | |
| 248 | E | A | -1.9914 | |
| 249 | A | A | -1.1178 | |
| 250 | G | A | -0.8242 | |
| 251 | I | A | 0.0000 | |
| 252 | A | A | 0.0000 | |
| 253 | H | A | 0.0000 | |
| 254 | S | A | 0.0000 | |
| 255 | Y | A | 0.0000 | |
| 256 | V | A | 0.0000 | |
| 257 | S | A | 0.0000 | |
| 258 | G | A | -1.1412 | |
| 259 | N | A | -1.4980 | |
| 260 | T | A | 0.0000 | |
| 261 | V | A | 0.0000 | |
| 262 | W | A | 0.0000 | |
| 263 | Q | A | 0.0000 | |
| 264 | A | A | 0.0000 | |
| 265 | L | A | 0.0000 | |
| 266 | D | A | -1.4340 | |
| 267 | E | A | -1.1778 | |
| 268 | S | A | -1.5666 | |
| 269 | Q | A | 0.0000 | |
| 270 | V | A | -0.9198 | |
| 271 | G | A | 0.0000 | |
| 272 | W | A | -0.4817 | |
| 273 | H | A | 0.0000 | |
| 274 | T | A | 0.0000 | |
| 275 | A | A | -0.1941 | |
| 276 | N | A | -0.5834 | |
| 277 | Q | A | -0.7299 | |
| 278 | L | A | 0.7652 | |
| 279 | G | A | 0.0000 | |
| 280 | N | A | -0.2141 | |
| 281 | K | A | -0.9309 | |
| 282 | Y | A | -0.4688 | |
| 283 | Y | A | -0.3583 | |
| 284 | Y | A | 0.0000 | |
| 285 | G | A | 0.0000 | |
| 286 | I | A | 0.0000 | |
| 287 | E | A | -0.2829 | |
| 288 | V | A | 0.0000 | |
| 289 | C | A | 0.0000 | |
| 290 | Q | A | 0.0000 | |
| 291 | S | A | 0.0000 | |
| 292 | M | A | 0.1843 | |
| 293 | G | A | -1.1006 | |
| 294 | A | A | 0.0000 | |
| 295 | D | A | -2.2623 | |
| 296 | N | A | -1.3275 | |
| 297 | A | A | -0.8125 | |
| 298 | T | A | -1.4928 | |
| 299 | F | A | 0.0000 | |
| 300 | L | A | -0.9798 | |
| 301 | K | A | -1.7257 | |
| 302 | N | A | 0.0000 | |
| 303 | E | A | 0.0000 | |
| 304 | Q | A | -0.3086 | |
| 305 | A | A | 0.0000 | |
| 306 | T | A | 0.0000 | |
| 307 | F | A | 0.0000 | |
| 308 | Q | A | -0.4155 | |
| 309 | E | A | 0.0000 | |
| 310 | C | A | 0.0000 | |
| 311 | A | A | 0.0000 | |
| 312 | R | A | -1.5817 | |
| 313 | L | A | 0.0000 | |
| 314 | L | A | 0.0000 | |
| 315 | K | A | -2.7480 | |
| 316 | K | A | -2.8296 | |
| 317 | W | A | -2.0015 | |
| 318 | G | A | -1.5603 | |
| 319 | L | A | -1.0778 | |
| 320 | P | A | -0.9067 | |
| 321 | A | A | 0.0000 | |
| 322 | N | A | -1.2922 | |
| 323 | R | A | -1.5550 | |
| 324 | N | A | -2.0478 | |
| 325 | T | A | 0.0000 | |
| 326 | I | A | 0.0000 | |
| 327 | R | A | -0.8641 | |
| 328 | L | A | 0.0000 | |
| 329 | H | A | -0.4191 | |
| 330 | N | A | -0.4442 | |
| 331 | E | A | -0.9158 | |
| 332 | F | A | -0.1990 | |
| 333 | T | A | -0.3062 | |
| 334 | S | A | -0.0445 | |
| 335 | T | A | 0.3242 | |
| 336 | S | A | 0.4710 | |
| 337 | C | A | 0.2454 | |
| 338 | P | A | 0.0000 | |
| 339 | H | A | 0.0000 | |
| 340 | R | A | 0.1761 | |
| 341 | S | A | 0.0000 | |
| 342 | S | A | 0.0000 | |
| 343 | V | A | -0.0145 | |
| 344 | L | A | 0.0000 | |
| 345 | H | A | 0.0000 | |
| 346 | T | A | 0.0000 | |
| 347 | G | A | -1.1141 | |
| 348 | F | A | 0.0000 | |
| 349 | D | A | -0.1730 | |
| 350 | P | A | 0.0000 | |
| 351 | V | A | 1.2928 | |
| 352 | T | A | -0.1121 | |
| 353 | R | A | -1.3311 | |
| 354 | G | A | -0.1043 | |
| 355 | L | A | 0.8681 | |
| 356 | L | A | 0.0000 | |
| 357 | P | A | -1.4958 | |
| 358 | E | A | -2.7206 | |
| 359 | D | A | -2.8617 | |
| 360 | K | A | -1.7434 | |
| 361 | Q | A | -1.5233 | |
| 362 | L | A | -1.2557 | |
| 363 | Q | A | -1.3353 | |
| 364 | L | A | 0.0000 | |
| 365 | K | A | 0.0000 | |
| 366 | D | A | -0.9940 | |
| 367 | Y | A | -0.5870 | |
| 368 | F | A | 0.0000 | |
| 369 | I | A | 0.0000 | |
| 370 | K | A | -1.5053 | |
| 371 | Q | A | 0.0000 | |
| 372 | I | A | 0.0000 | |
| 373 | R | A | -1.1526 | |
| 374 | V | A | -0.8852 | |
| 375 | Y | A | -1.1564 | |
| 376 | M | A | -1.6745 | |
| 377 | D | A | -2.2403 | |
| 378 | G | A | -1.8248 | |
| 379 | K | A | -2.0102 | |
| 380 | I | A | -0.1434 | |
| 381 | P | A | 0.5981 | |
| 382 | V | A | 1.6302 | |
| 383 | A | A | 0.8275 | |
| 384 | T | A | 0.3258 | |
| 385 | V | A | -0.0774 | |
| 386 | S | A | -1.0218 | |
| 387 | N | A | -2.4313 | |
| 388 | E | A | -2.4909 | |
| 389 | S | A | 0.0000 | |
| 390 | S | A | -1.2851 | |
| 391 | A | A | -1.1424 | |
| 392 | S | A | -1.4136 | |
| 393 | S | A | -1.3818 | |
| 394 | N | A | -1.7744 | |
| 395 | T | A | 0.0000 | |
| 396 | V | A | -0.5857 | |
| 397 | K | A | -1.5542 | |
| 398 | P | A | -0.5331 | |
| 399 | V | A | 0.6991 | |
| 400 | A | A | -0.1352 | |
| 401 | S | A | -0.0860 | |
| 402 | A | A | -0.5829 | |
| 403 | W | A | 0.0000 | |
| 404 | K | A | -2.7948 | |
| 405 | R | A | -2.9482 | |
| 406 | N | A | -2.1687 | |
| 407 | K | A | -1.7473 | |
| 408 | Y | A | -0.0240 | |
| 409 | G | A | -0.8830 | |
| 410 | T | A | 0.0000 | |
| 411 | Y | A | -1.1244 | |
| 412 | Y | A | -1.2009 | |
| 413 | M | A | 0.0000 | |
| 414 | E | A | -2.4846 | |
| 415 | E | A | -2.0329 | |
| 416 | N | A | -2.4328 | |
| 417 | A | A | -1.7688 | |
| 418 | R | A | -1.8333 | |
| 419 | F | A | 0.0000 | |
| 420 | T | A | -0.7994 | |
| 421 | N | A | 0.0000 | |
| 422 | G | A | -1.6465 | |
| 423 | N | A | -2.2847 | |
| 424 | Q | A | -2.3457 | |
| 425 | P | A | -1.7996 | |
| 426 | I | A | 0.0000 | |
| 427 | T | A | -0.0102 | |
| 428 | V | A | 0.0000 | |
| 429 | R | A | 0.7640 | |
| 430 | K | A | 0.6375 | |
| 431 | I | A | 1.7534 | |
| 432 | G | A | 0.0000 | |
| 433 | P | A | 0.0000 | |
| 434 | F | A | 0.6720 | |
| 435 | L | A | 0.9515 | |
| 436 | S | A | 0.4213 | |
| 437 | C | A | 1.0129 | |
| 438 | P | A | 1.0160 | |
| 439 | V | A | 1.8008 | |
| 440 | A | A | 0.8787 | |
| 441 | Y | A | 0.2889 | |
| 442 | Q | A | -0.8387 | |
| 443 | F | A | 0.0000 | |
| 444 | Q | A | -1.9673 | |
| 445 | P | A | -1.8635 | |
| 446 | G | A | -1.3397 | |
| 447 | G | A | -0.3670 | |
| 448 | Y | A | 0.1424 | |
| 449 | C | A | 0.0000 | |
| 450 | D | A | -2.0117 | |
| 451 | Y | A | 0.0000 | |
| 452 | T | A | -1.8325 | |
| 453 | E | A | -1.5571 | |
| 454 | V | A | 0.0000 | |
| 455 | M | A | 0.0000 | |
| 456 | L | A | 0.0000 | |
| 457 | Q | A | -0.3365 | |
| 458 | D | A | -0.8400 | |
| 459 | G | A | -0.9454 | |
| 460 | H | A | -0.5883 | |
| 461 | V | A | 0.0000 | |
| 462 | W | A | 0.0000 | |
| 463 | V | A | 0.0000 | |
| 464 | G | A | 0.0000 | |
| 465 | Y | A | 0.0000 | |
| 466 | T | A | -0.7012 | |
| 467 | W | A | -0.3990 | |
| 468 | E | A | -1.7458 | |
| 469 | G | A | -1.3848 | |
| 470 | Q | A | -1.1414 | |
| 471 | R | A | -0.6090 | |
| 472 | Y | A | 0.0000 | |
| 473 | Y | A | 0.4723 | |
| 474 | L | A | 0.0000 | |
| 475 | P | A | 0.0000 | |
| 476 | I | A | 0.0000 | |
| 477 | R | A | 0.0000 | |
| 478 | T | A | -0.6533 | |
| 479 | W | A | 0.0000 | |
| 480 | N | A | -1.3248 | |
| 481 | G | A | -1.2194 | |
| 482 | S | A | -0.8066 | |
| 483 | A | A | -0.7644 | |
| 484 | P | A | -0.6832 | |
| 485 | P | A | -0.5134 | |
| 486 | N | A | -1.1375 | |
| 487 | Q | A | 0.0000 | |
| 488 | I | A | 0.3001 | |
| 489 | L | A | -0.2039 | |
| 490 | G | A | -1.0792 | |
| 491 | D | A | -1.8337 | |
| 492 | L | A | -0.8891 | |
| 493 | W | A | -0.7469 | |
| 494 | G | A | -1.2550 | |
| 495 | E | A | -1.8280 | |
| 496 | I | A | -1.1796 | |
| 497 | S | A | -1.2729 |
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