| Chain sequence(s) |
A: MHHHHEGVSGQTLRVLMFPWLALGHVNPFLRIAKQLADRGFVIYLVSTAINLESIKKRIPEKYSNSIHLVELALPELPELPPHYHTTNGLPPHLNGTLHKALKMSAPNFSKILQNLKPDLVLYDFLQPWAEQVALEQGIPAVPVLTSGAALFSYFFNFLKRPGHEFPFPAIRLSKREQDKMREMFGTEPDEEDPLAPGNAGIMLMCTSRVIEAKYLDYCTELTNVKVVPVGPPFQDPMTEDIDDKELIDWLDTKPENSVVYVSFGSEYFLSREDMEEVAFGLELSNVNFIWVARFPKGEEQNLEDVLPKGFLERVGDRGRVLDHLVPQAHILNHPSTGGFISHCGWNSVMESIDFGVPIIAMPMQWDQPINARLLVELGVAVEIVRDEDGRIHRGEIAQVLKDVITGPTGEILRAKVRDISKRLRARREEEMNAAAEELIQLCRNRNAYK
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| 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] FoldX: Starting FoldX energy minimalization (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:06:44)
[INFO] Main: Simulation completed successfully. (00:06:47)
|
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 | 0.1671 | |
| 2 | H | A | -1.6229 | |
| 3 | H | A | -2.2995 | |
| 4 | H | A | -2.8380 | |
| 5 | H | A | -2.4364 | |
| 6 | E | A | -2.6179 | |
| 7 | G | A | -1.2655 | |
| 8 | V | A | 0.5178 | |
| 9 | S | A | -0.4614 | |
| 10 | G | A | -1.4042 | |
| 11 | Q | A | -1.9807 | |
| 12 | T | A | -1.5796 | |
| 13 | L | A | 0.0000 | |
| 14 | R | A | -1.0103 | |
| 15 | V | A | 0.0000 | |
| 16 | L | A | 0.0000 | |
| 17 | M | A | 0.0000 | |
| 18 | F | A | 0.0000 | |
| 19 | P | A | 0.0000 | |
| 20 | W | A | 0.0000 | |
| 21 | L | A | 0.0000 | |
| 22 | A | A | 0.0000 | |
| 23 | L | A | -0.2163 | |
| 24 | G | A | -0.3950 | |
| 25 | H | A | -0.2110 | |
| 26 | V | A | 0.0000 | |
| 27 | N | A | -0.3246 | |
| 28 | P | A | 0.0000 | |
| 29 | F | A | 0.0000 | |
| 30 | L | A | 0.0000 | |
| 31 | R | A | 0.0000 | |
| 32 | I | A | 0.0000 | |
| 33 | A | A | 0.0000 | |
| 34 | K | A | -0.9074 | |
| 35 | Q | A | -1.2608 | |
| 36 | L | A | 0.0000 | |
| 37 | A | A | -1.4813 | |
| 38 | D | A | -2.5629 | |
| 39 | R | A | -2.0992 | |
| 40 | G | A | -1.8953 | |
| 41 | F | A | 0.0000 | |
| 42 | V | A | -0.5344 | |
| 43 | I | A | 0.0000 | |
| 44 | Y | A | -0.2476 | |
| 45 | L | A | 0.0000 | |
| 46 | V | A | 0.0000 | |
| 47 | S | A | 0.0000 | |
| 48 | T | A | 0.0000 | |
| 49 | A | A | -0.8998 | |
| 50 | I | A | -0.7090 | |
| 51 | N | A | 0.0000 | |
| 52 | L | A | 0.0000 | |
| 53 | E | A | -2.5357 | |
| 54 | S | A | -1.6896 | |
| 55 | I | A | 0.0000 | |
| 56 | K | A | -3.0685 | |
| 57 | K | A | -3.3884 | |
| 58 | R | A | -2.1905 | |
| 59 | I | A | -1.7749 | |
| 60 | P | A | -1.9239 | |
| 61 | E | A | -3.0782 | |
| 62 | K | A | -3.0810 | |
| 63 | Y | A | 0.0000 | |
| 64 | S | A | -2.0949 | |
| 65 | N | A | -2.0991 | |
| 66 | S | A | -1.6188 | |
| 67 | I | A | 0.0000 | |
| 68 | H | A | -1.1510 | |
| 69 | L | A | -0.9645 | |
| 70 | V | A | -0.6926 | |
| 71 | E | A | -1.6604 | |
| 72 | L | A | 0.0000 | |
| 73 | A | A | -0.7324 | |
| 74 | L | A | 0.0000 | |
| 75 | P | A | -1.2120 | |
| 76 | E | A | -2.0587 | |
| 77 | L | A | -1.3618 | |
| 78 | P | A | -1.4381 | |
| 79 | E | A | -2.0592 | |
| 80 | L | A | 0.0000 | |
| 81 | P | A | -1.2396 | |
| 82 | P | A | -0.8370 | |
| 83 | H | A | -0.9324 | |
| 84 | Y | A | -0.7298 | |
| 85 | H | A | -0.4150 | |
| 86 | T | A | 0.0000 | |
| 87 | T | A | 0.0000 | |
| 88 | N | A | -0.3974 | |
| 89 | G | A | 0.0000 | |
| 90 | L | A | 0.0000 | |
| 91 | P | A | 0.0000 | |
| 92 | P | A | -0.9767 | |
| 93 | H | A | -1.3307 | |
| 94 | L | A | 0.0000 | |
| 95 | N | A | -1.4306 | |
| 96 | G | A | -1.5260 | |
| 97 | T | A | -1.7127 | |
| 98 | L | A | 0.0000 | |
| 99 | H | A | -1.9530 | |
| 100 | K | A | -2.5751 | |
| 101 | A | A | 0.0000 | |
| 102 | L | A | 0.0000 | |
| 103 | K | A | -2.1276 | |
| 104 | M | A | -0.9703 | |
| 105 | S | A | 0.0000 | |
| 106 | A | A | -0.8326 | |
| 107 | P | A | -0.9011 | |
| 108 | N | A | -1.2157 | |
| 109 | F | A | 0.0000 | |
| 110 | S | A | -1.8296 | |
| 111 | K | A | -2.6823 | |
| 112 | I | A | -1.9105 | |
| 113 | L | A | 0.0000 | |
| 114 | Q | A | -2.9606 | |
| 115 | N | A | -2.6188 | |
| 116 | L | A | -1.8656 | |
| 117 | K | A | -2.8626 | |
| 118 | P | A | 0.0000 | |
| 119 | D | A | -1.6424 | |
| 120 | L | A | 0.0000 | |
| 121 | V | A | 0.0000 | |
| 122 | L | A | 0.0000 | |
| 123 | Y | A | 0.0000 | |
| 124 | D | A | 0.0000 | |
| 125 | F | A | 0.0000 | |
| 126 | L | A | 0.1843 | |
| 127 | Q | A | 0.0000 | |
| 128 | P | A | -0.7076 | |
| 129 | W | A | -0.7230 | |
| 130 | A | A | 0.0000 | |
| 131 | E | A | -0.9441 | |
| 132 | Q | A | -1.6465 | |
| 133 | V | A | -1.1331 | |
| 134 | A | A | 0.0000 | |
| 135 | L | A | -1.0656 | |
| 136 | E | A | -2.1364 | |
| 137 | Q | A | -1.9178 | |
| 138 | G | A | -1.4628 | |
| 139 | I | A | 0.0000 | |
| 140 | P | A | -0.8335 | |
| 141 | A | A | 0.0000 | |
| 142 | V | A | 0.0000 | |
| 143 | P | A | 0.0000 | |
| 144 | V | A | 0.0000 | |
| 145 | L | A | 0.0000 | |
| 146 | T | A | 0.0000 | |
| 147 | S | A | -0.1238 | |
| 148 | G | A | 0.0000 | |
| 149 | A | A | 0.0000 | |
| 150 | A | A | 0.0000 | |
| 151 | L | A | 0.0000 | |
| 152 | F | A | 0.0000 | |
| 153 | S | A | 0.0000 | |
| 154 | Y | A | 0.0000 | |
| 155 | F | A | 0.0000 | |
| 156 | F | A | -0.0168 | |
| 157 | N | A | 0.0000 | |
| 158 | F | A | -0.6680 | |
| 159 | L | A | -0.2694 | |
| 160 | K | A | -1.1894 | |
| 161 | R | A | -1.6652 | |
| 162 | P | A | -1.4175 | |
| 163 | G | A | -1.6854 | |
| 164 | H | A | -2.4660 | |
| 165 | E | A | -2.6838 | |
| 166 | F | A | 0.0000 | |
| 167 | P | A | -0.8056 | |
| 168 | F | A | -0.5321 | |
| 169 | P | A | -0.8452 | |
| 170 | A | A | -0.4858 | |
| 171 | I | A | 0.0000 | |
| 172 | R | A | -1.8867 | |
| 173 | L | A | 0.0000 | |
| 174 | S | A | -2.3950 | |
| 175 | K | A | -3.6423 | |
| 176 | R | A | -4.2087 | |
| 177 | E | A | -3.1526 | |
| 178 | Q | A | -3.2483 | |
| 179 | D | A | -3.6749 | |
| 180 | K | A | -3.6050 | |
| 181 | M | A | 0.0000 | |
| 182 | R | A | -2.8308 | |
| 183 | E | A | -3.0503 | |
| 184 | M | A | -1.2225 | |
| 185 | F | A | -1.2894 | |
| 186 | G | A | -1.9811 | |
| 187 | T | A | -1.7926 | |
| 188 | E | A | -2.6872 | |
| 189 | P | A | -2.8314 | |
| 190 | D | A | -3.9127 | |
| 191 | E | A | -3.7927 | |
| 192 | E | A | -3.2541 | |
| 193 | D | A | -2.2872 | |
| 194 | P | A | -1.3929 | |
| 195 | L | A | 0.0000 | |
| 196 | A | A | -0.6693 | |
| 197 | P | A | -0.8014 | |
| 198 | G | A | -1.0231 | |
| 199 | N | A | -1.4815 | |
| 200 | A | A | -0.9562 | |
| 201 | G | A | -1.2547 | |
| 202 | I | A | 0.0000 | |
| 203 | M | A | 0.0000 | |
| 204 | L | A | 0.0000 | |
| 205 | M | A | 0.0000 | |
| 206 | C | A | 0.0000 | |
| 207 | T | A | 0.0000 | |
| 208 | S | A | 0.0000 | |
| 209 | R | A | -1.5501 | |
| 210 | V | A | -0.7657 | |
| 211 | I | A | 0.0000 | |
| 212 | E | A | 0.0000 | |
| 213 | A | A | -1.3663 | |
| 214 | K | A | -1.7366 | |
| 215 | Y | A | 0.0000 | |
| 216 | L | A | 0.0000 | |
| 217 | D | A | -2.7967 | |
| 218 | Y | A | 0.0000 | |
| 219 | C | A | 0.0000 | |
| 220 | T | A | -2.2002 | |
| 221 | E | A | -2.7199 | |
| 222 | L | A | -1.4248 | |
| 223 | T | A | -1.3552 | |
| 224 | N | A | -2.0850 | |
| 225 | V | A | -1.7013 | |
| 226 | K | A | -2.1634 | |
| 227 | V | A | 0.0000 | |
| 228 | V | A | 0.0000 | |
| 229 | P | A | -0.5276 | |
| 230 | V | A | 0.0000 | |
| 231 | G | A | 0.0000 | |
| 232 | P | A | 0.0000 | |
| 233 | P | A | 0.0000 | |
| 234 | F | A | -0.0322 | |
| 235 | Q | A | -0.5259 | |
| 236 | D | A | -0.9908 | |
| 237 | P | A | 0.0000 | |
| 238 | M | A | 0.3932 | |
| 239 | T | A | -0.6330 | |
| 240 | E | A | -1.2770 | |
| 241 | D | A | -2.1142 | |
| 242 | I | A | -1.4519 | |
| 243 | D | A | -2.6889 | |
| 244 | D | A | -2.5482 | |
| 245 | K | A | -3.4910 | |
| 246 | E | A | -3.5690 | |
| 247 | L | A | 0.0000 | |
| 248 | I | A | -2.2843 | |
| 249 | D | A | -3.2824 | |
| 250 | W | A | 0.0000 | |
| 251 | L | A | 0.0000 | |
| 252 | D | A | -2.8908 | |
| 253 | T | A | -1.6109 | |
| 254 | K | A | -1.6951 | |
| 255 | P | A | -1.7286 | |
| 256 | E | A | -2.5269 | |
| 257 | N | A | -1.6963 | |
| 258 | S | A | -1.0208 | |
| 259 | V | A | 0.0000 | |
| 260 | V | A | 0.0000 | |
| 261 | Y | A | 0.0000 | |
| 262 | V | A | 0.0000 | |
| 263 | S | A | 0.0000 | |
| 264 | F | A | 0.0000 | |
| 265 | G | A | -0.2079 | |
| 266 | S | A | -0.3709 | |
| 267 | E | A | -0.7342 | |
| 268 | Y | A | -0.0944 | |
| 269 | F | A | 0.0472 | |
| 270 | L | A | -0.5097 | |
| 271 | S | A | -1.5096 | |
| 272 | R | A | -2.8967 | |
| 273 | E | A | -3.1841 | |
| 274 | D | A | 0.0000 | |
| 275 | M | A | 0.0000 | |
| 276 | E | A | -2.0173 | |
| 277 | E | A | 0.0000 | |
| 278 | V | A | 0.0000 | |
| 279 | A | A | 0.0000 | |
| 280 | F | A | 0.1050 | |
| 281 | G | A | 0.0000 | |
| 282 | L | A | 0.0000 | |
| 283 | E | A | -0.2492 | |
| 284 | L | A | 0.4758 | |
| 285 | S | A | 0.0000 | |
| 286 | N | A | -1.1235 | |
| 287 | V | A | 0.0000 | |
| 288 | N | A | -1.0597 | |
| 289 | F | A | 0.0000 | |
| 290 | I | A | 0.0000 | |
| 291 | W | A | 0.0000 | |
| 292 | V | A | 0.0000 | |
| 293 | A | A | 0.0000 | |
| 294 | R | A | -1.2612 | |
| 295 | F | A | -1.8375 | |
| 296 | P | A | -1.6600 | |
| 297 | K | A | -1.7563 | |
| 298 | G | A | -2.1578 | |
| 299 | E | A | -3.2564 | |
| 300 | E | A | -3.7868 | |
| 301 | Q | A | -3.6418 | |
| 302 | N | A | -3.2833 | |
| 303 | L | A | -2.4226 | |
| 304 | E | A | -3.5578 | |
| 305 | D | A | -3.4102 | |
| 306 | V | A | -2.3603 | |
| 307 | L | A | 0.0000 | |
| 308 | P | A | -1.7577 | |
| 309 | K | A | -2.7690 | |
| 310 | G | A | -2.1521 | |
| 311 | F | A | 0.0000 | |
| 312 | L | A | -2.0533 | |
| 313 | E | A | -3.2273 | |
| 314 | R | A | -3.0688 | |
| 315 | V | A | 0.0000 | |
| 316 | G | A | -2.3924 | |
| 317 | D | A | -2.6060 | |
| 318 | R | A | -1.8480 | |
| 319 | G | A | 0.0000 | |
| 320 | R | A | -0.8532 | |
| 321 | V | A | -0.2549 | |
| 322 | L | A | -0.5393 | |
| 323 | D | A | -1.8337 | |
| 324 | H | A | -0.8887 | |
| 325 | L | A | 0.0478 | |
| 326 | V | A | -0.2755 | |
| 327 | P | A | 0.0000 | |
| 328 | Q | A | -0.2928 | |
| 329 | A | A | 0.0000 | |
| 330 | H | A | -0.6712 | |
| 331 | I | A | 0.0000 | |
| 332 | L | A | 0.0000 | |
| 333 | N | A | -1.4076 | |
| 334 | H | A | -1.3540 | |
| 335 | P | A | -1.6153 | |
| 336 | S | A | 0.0000 | |
| 337 | T | A | 0.0000 | |
| 338 | G | A | 0.0000 | |
| 339 | G | A | 0.0000 | |
| 340 | F | A | 0.0000 | |
| 341 | I | A | 0.0000 | |
| 342 | S | A | 0.0000 | |
| 343 | H | A | 0.0000 | |
| 344 | C | A | 0.0000 | |
| 345 | G | A | -0.1770 | |
| 346 | W | A | 0.0000 | |
| 347 | N | A | -0.2057 | |
| 348 | S | A | 0.0000 | |
| 349 | V | A | 0.0000 | |
| 350 | M | A | 0.0000 | |
| 351 | E | A | 0.0000 | |
| 352 | S | A | 0.0000 | |
| 353 | I | A | 0.0000 | |
| 354 | D | A | -1.2224 | |
| 355 | F | A | -0.7755 | |
| 356 | G | A | -1.4182 | |
| 357 | V | A | 0.0000 | |
| 358 | P | A | 0.0000 | |
| 359 | I | A | 0.0000 | |
| 360 | I | A | 0.0000 | |
| 361 | A | A | 0.0000 | |
| 362 | M | A | 0.0000 | |
| 363 | P | A | 0.0384 | |
| 364 | M | A | 0.0000 | |
| 365 | Q | A | -0.2449 | |
| 366 | W | A | 0.4863 | |
| 367 | D | A | 0.1620 | |
| 368 | Q | A | 0.0000 | |
| 369 | P | A | 0.0000 | |
| 370 | I | A | 0.0000 | |
| 371 | N | A | 0.0000 | |
| 372 | A | A | 0.0000 | |
| 373 | R | A | -0.3548 | |
| 374 | L | A | 0.0000 | |
| 375 | L | A | 0.0000 | |
| 376 | V | A | 0.6929 | |
| 377 | E | A | -0.2054 | |
| 378 | L | A | -0.0642 | |
| 379 | G | A | 0.1907 | |
| 380 | V | A | 0.0000 | |
| 381 | A | A | 0.0000 | |
| 382 | V | A | 0.6359 | |
| 383 | E | A | 0.6166 | |
| 384 | I | A | 0.0000 | |
| 385 | V | A | 0.8613 | |
| 386 | R | A | -1.4266 | |
| 387 | D | A | -2.2895 | |
| 388 | E | A | -3.6403 | |
| 389 | D | A | -3.5443 | |
| 390 | G | A | -2.5300 | |
| 391 | R | A | -2.3394 | |
| 392 | I | A | 0.0000 | |
| 393 | H | A | -1.3470 | |
| 394 | R | A | -1.1258 | |
| 395 | G | A | -1.0709 | |
| 396 | E | A | -1.3245 | |
| 397 | I | A | 0.0000 | |
| 398 | A | A | 0.0000 | |
| 399 | Q | A | -1.6047 | |
| 400 | V | A | -1.0234 | |
| 401 | L | A | 0.0000 | |
| 402 | K | A | -1.4199 | |
| 403 | D | A | -1.4674 | |
| 404 | V | A | 0.0000 | |
| 405 | I | A | 0.0000 | |
| 406 | T | A | -0.8575 | |
| 407 | G | A | -0.9047 | |
| 408 | P | A | -0.6716 | |
| 409 | T | A | -0.2847 | |
| 410 | G | A | 0.0000 | |
| 411 | E | A | -1.2401 | |
| 412 | I | A | 0.7701 | |
| 413 | L | A | 0.0000 | |
| 414 | R | A | 0.0000 | |
| 415 | A | A | -1.2082 | |
| 416 | K | A | -1.8026 | |
| 417 | V | A | 0.0000 | |
| 418 | R | A | -3.2631 | |
| 419 | D | A | -3.1555 | |
| 420 | I | A | -2.2310 | |
| 421 | S | A | 0.0000 | |
| 422 | K | A | -3.6114 | |
| 423 | R | A | -2.8927 | |
| 424 | L | A | 0.0000 | |
| 425 | R | A | -3.4033 | |
| 426 | A | A | -2.7298 | |
| 427 | R | A | -3.5229 | |
| 428 | R | A | -3.2544 | |
| 429 | E | A | -3.7964 | |
| 430 | E | A | -3.7034 | |
| 431 | E | A | -2.6392 | |
| 432 | M | A | 0.0000 | |
| 433 | N | A | -2.5142 | |
| 434 | A | A | -1.7655 | |
| 435 | A | A | 0.0000 | |
| 436 | A | A | 0.0000 | |
| 437 | E | A | -2.1571 | |
| 438 | E | A | -1.6415 | |
| 439 | L | A | 0.0000 | |
| 440 | I | A | -1.1650 | |
| 441 | Q | A | -1.5091 | |
| 442 | L | A | 0.0000 | |
| 443 | C | A | 0.0000 | |
| 444 | R | A | -1.2137 | |
| 445 | N | A | -1.1838 | |
| 446 | R | A | -1.7192 | |
| 447 | N | A | -1.4613 | |
| 448 | A | A | -0.5313 | |
| 449 | Y | A | -0.1215 | |
| 450 | K | A | -1.5003 |
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