| Chain sequence(s) |
A: GPAALNPEPELLSTDEYVEPTDLLYIAETDLLTETGDPTKDIVVDGKVAVPKVSAYQWKVFKLTLPDPNKLPLPSEDFIDPETHRLIWRLKAYYIGRFGPLGKGSYGHPNFNALGDVDNPTSYQHPTADDTQALSWRPKLLQEYIVGDRPPIGKYVAKAAPAPGLPPGAPPPLKVVTDTIEHGDMADIGFGAKDFAALEPRKNEVPDIILDTTTKVPDYEGMEAEPTGRRMFDHNKKESSKDVRKLVRSGPVLFPLPSSPPPSKLYVKPPPSSPYYVLPPYDYFTLPDQGEIKEEDLLFNQPVWLEKTKGLNNGVLWNNQLYVTVVDNTRSEIETKTTQTSTPPINVYDPSNYVTSKTYTEEYQLSLIVQLCKIPLTPETLERLRRIDPSILVNWNLPFIPKVERPDPLAGKKFIEIDLTDKLSTDLASSPLGQAYLNR
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. (00:00:05)
|
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 | G | A | -0.5646 | |
| 2 | P | A | -0.2094 | |
| 3 | A | A | 0.0916 | |
| 4 | A | A | 0.2829 | |
| 5 | L | A | 0.6034 | |
| 6 | N | A | -1.1510 | |
| 7 | P | A | -1.6618 | |
| 8 | E | A | -2.5163 | |
| 9 | P | A | -2.2392 | |
| 10 | E | A | -1.9872 | |
| 11 | L | A | -0.3876 | |
| 12 | L | A | -0.3651 | |
| 13 | S | A | -0.7605 | |
| 14 | T | A | 0.0000 | |
| 15 | D | A | -2.6591 | |
| 16 | E | A | -2.5686 | |
| 17 | Y | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | E | A | -2.0029 | |
| 20 | P | A | -1.4777 | |
| 21 | T | A | -1.1814 | |
| 22 | D | A | -1.6534 | |
| 23 | L | A | -0.5192 | |
| 24 | L | A | -0.2809 | |
| 25 | Y | A | -0.0962 | |
| 26 | I | A | 0.0000 | |
| 27 | A | A | 0.0000 | |
| 28 | E | A | -0.9445 | |
| 29 | T | A | 0.0000 | |
| 30 | D | A | -1.2922 | |
| 31 | L | A | 0.4844 | |
| 32 | L | A | 0.2180 | |
| 33 | T | A | -0.1938 | |
| 34 | E | A | -0.6622 | |
| 35 | T | A | -0.3869 | |
| 36 | G | A | 0.0000 | |
| 37 | D | A | -1.4398 | |
| 38 | P | A | 0.0000 | |
| 39 | T | A | -1.5108 | |
| 40 | K | A | -2.1474 | |
| 41 | D | A | -0.8776 | |
| 42 | I | A | 1.1975 | |
| 43 | V | A | 2.1068 | |
| 44 | V | A | 1.6521 | |
| 45 | D | A | -0.9903 | |
| 46 | G | A | -0.6379 | |
| 47 | K | A | -0.4670 | |
| 48 | V | A | 1.4746 | |
| 49 | A | A | 1.4141 | |
| 50 | V | A | 1.0891 | |
| 51 | P | A | -0.2113 | |
| 52 | K | A | -1.1421 | |
| 53 | V | A | 0.0000 | |
| 54 | S | A | 0.0000 | |
| 55 | A | A | 0.0000 | |
| 56 | Y | A | 0.0000 | |
| 57 | Q | A | 0.0000 | |
| 58 | W | A | 0.0000 | |
| 59 | K | A | 0.0000 | |
| 60 | V | A | 0.0000 | |
| 61 | F | A | 0.0000 | |
| 62 | K | A | -1.3088 | |
| 63 | L | A | 0.0000 | |
| 64 | T | A | -1.2992 | |
| 65 | L | A | 0.0000 | |
| 66 | P | A | 0.0000 | |
| 67 | D | A | -1.2735 | |
| 68 | P | A | 0.0000 | |
| 69 | N | A | -1.4102 | |
| 70 | K | A | -1.8984 | |
| 71 | L | A | -0.7713 | |
| 72 | P | A | -0.5971 | |
| 73 | L | A | -0.5159 | |
| 74 | P | A | -0.5999 | |
| 75 | S | A | -1.4745 | |
| 76 | E | A | -2.7866 | |
| 77 | D | A | -2.8104 | |
| 78 | F | A | -1.4036 | |
| 79 | I | A | -1.7779 | |
| 80 | D | A | -2.7445 | |
| 81 | P | A | -2.0843 | |
| 82 | E | A | -2.4514 | |
| 83 | T | A | -1.5444 | |
| 84 | H | A | -1.4867 | |
| 85 | R | A | -1.0244 | |
| 86 | L | A | 0.0000 | |
| 87 | I | A | 0.0000 | |
| 88 | W | A | 0.0000 | |
| 89 | R | A | 0.0000 | |
| 90 | L | A | 0.0000 | |
| 91 | K | A | -0.7826 | |
| 92 | A | A | 0.0000 | |
| 93 | Y | A | 0.0000 | |
| 94 | Y | A | -0.1670 | |
| 95 | I | A | 0.0000 | |
| 96 | G | A | 0.0000 | |
| 97 | R | A | 0.0000 | |
| 98 | F | A | 0.4699 | |
| 99 | G | A | -0.2341 | |
| 100 | P | A | -0.2138 | |
| 101 | L | A | -0.2009 | |
| 102 | G | A | -0.7931 | |
| 103 | K | A | -1.3180 | |
| 104 | G | A | 0.0000 | |
| 105 | S | A | -0.7608 | |
| 106 | Y | A | 0.0000 | |
| 107 | G | A | -0.7215 | |
| 108 | H | A | -1.2239 | |
| 109 | P | A | -1.2212 | |
| 110 | N | A | -2.2345 | |
| 111 | F | A | 0.0000 | |
| 112 | N | A | 0.0000 | |
| 113 | A | A | 0.0000 | |
| 114 | L | A | -0.6278 | |
| 115 | G | A | 0.0000 | |
| 116 | D | A | -2.0049 | |
| 117 | V | A | -1.6572 | |
| 118 | D | A | -3.0283 | |
| 119 | N | A | -2.6341 | |
| 120 | P | A | -1.4801 | |
| 121 | T | A | -0.7981 | |
| 122 | S | A | -0.4647 | |
| 123 | Y | A | 0.4458 | |
| 124 | Q | A | -0.3113 | |
| 125 | H | A | -0.3024 | |
| 126 | P | A | -0.9251 | |
| 127 | T | A | -0.9281 | |
| 128 | A | A | -0.9433 | |
| 129 | D | A | -2.1713 | |
| 130 | D | A | -1.5699 | |
| 131 | T | A | -1.5030 | |
| 132 | Q | A | -1.5008 | |
| 133 | A | A | -0.8770 | |
| 134 | L | A | -0.4954 | |
| 135 | S | A | -0.5190 | |
| 136 | W | A | 0.0000 | |
| 137 | R | A | -0.7608 | |
| 138 | P | A | 0.0000 | |
| 139 | K | A | -1.3053 | |
| 140 | L | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | Q | A | 0.0000 | |
| 143 | E | A | 0.0000 | |
| 144 | Y | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | V | A | 0.0000 | |
| 147 | G | A | 0.0000 | |
| 148 | D | A | 0.0000 | |
| 149 | R | A | -0.5194 | |
| 150 | P | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | I | A | -0.1836 | |
| 153 | G | A | 0.0000 | |
| 154 | K | A | -0.0755 | |
| 155 | Y | A | 0.0900 | |
| 156 | V | A | 0.4467 | |
| 157 | A | A | 0.0000 | |
| 158 | K | A | -0.9413 | |
| 159 | A | A | -0.2876 | |
| 160 | A | A | -0.3642 | |
| 161 | P | A | -0.2041 | |
| 162 | A | A | -0.0916 | |
| 163 | P | A | -0.2886 | |
| 164 | G | A | -0.2689 | |
| 165 | L | A | 0.2599 | |
| 166 | P | A | -0.2405 | |
| 167 | P | A | -0.4815 | |
| 168 | G | A | -0.3812 | |
| 169 | A | A | -0.0925 | |
| 170 | P | A | -0.0956 | |
| 171 | P | A | -0.3201 | |
| 172 | P | A | -0.0586 | |
| 173 | L | A | 0.6943 | |
| 174 | K | A | -0.0561 | |
| 175 | V | A | 1.2703 | |
| 176 | V | A | 0.5110 | |
| 177 | T | A | -0.0354 | |
| 178 | D | A | -0.4174 | |
| 179 | T | A | 0.0000 | |
| 180 | I | A | 0.0000 | |
| 181 | E | A | -1.0782 | |
| 182 | H | A | -1.1245 | |
| 183 | G | A | -0.6974 | |
| 184 | D | A | -0.6686 | |
| 185 | M | A | 0.0000 | |
| 186 | A | A | 0.0000 | |
| 187 | D | A | -0.2674 | |
| 188 | I | A | 0.0000 | |
| 189 | G | A | -0.6971 | |
| 190 | F | A | -0.0662 | |
| 191 | G | A | -0.2098 | |
| 192 | A | A | -0.1350 | |
| 193 | K | A | -0.5078 | |
| 194 | D | A | -0.9791 | |
| 195 | F | A | 0.0000 | |
| 196 | A | A | -1.5353 | |
| 197 | A | A | -0.7971 | |
| 198 | L | A | -0.9456 | |
| 199 | E | A | -1.8011 | |
| 200 | P | A | -1.9756 | |
| 201 | R | A | -2.9119 | |
| 202 | K | A | -3.3524 | |
| 203 | N | A | -2.2870 | |
| 204 | E | A | 0.0000 | |
| 205 | V | A | 0.0000 | |
| 206 | P | A | 0.0000 | |
| 207 | D | A | -1.7249 | |
| 208 | I | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | L | A | -1.7527 | |
| 211 | D | A | -2.3429 | |
| 212 | T | A | -1.1515 | |
| 213 | T | A | -0.7484 | |
| 214 | T | A | 0.0000 | |
| 215 | K | A | 0.0000 | |
| 216 | V | A | 0.0842 | |
| 217 | P | A | 0.0000 | |
| 218 | D | A | -1.0667 | |
| 219 | Y | A | -1.4122 | |
| 220 | E | A | -2.5197 | |
| 221 | G | A | -1.7616 | |
| 222 | M | A | 0.0000 | |
| 223 | E | A | -2.9513 | |
| 224 | A | A | -1.6240 | |
| 225 | E | A | -1.2953 | |
| 226 | P | A | -0.4083 | |
| 227 | T | A | -0.1277 | |
| 228 | G | A | 0.0000 | |
| 229 | R | A | 0.0000 | |
| 230 | R | A | -0.7376 | |
| 231 | M | A | 0.0000 | |
| 232 | F | A | 0.0000 | |
| 233 | D | A | -1.1027 | |
| 234 | H | A | -0.8142 | |
| 235 | N | A | -1.2737 | |
| 236 | K | A | -1.8387 | |
| 237 | K | A | -2.1689 | |
| 238 | E | A | -2.3941 | |
| 239 | S | A | -1.7709 | |
| 240 | S | A | -1.6560 | |
| 241 | K | A | -2.1398 | |
| 242 | D | A | -2.3458 | |
| 243 | V | A | -0.8344 | |
| 244 | R | A | -2.4068 | |
| 245 | K | A | -2.3454 | |
| 246 | L | A | 0.0000 | |
| 247 | V | A | 0.0000 | |
| 248 | R | A | 0.0000 | |
| 249 | S | A | -0.5513 | |
| 250 | G | A | -0.4303 | |
| 251 | P | A | 0.2703 | |
| 252 | V | A | 1.3290 | |
| 253 | L | A | 2.1856 | |
| 254 | F | A | 2.6110 | |
| 255 | P | A | 1.3582 | |
| 256 | L | A | 1.0631 | |
| 257 | P | A | -0.0051 | |
| 258 | S | A | 0.0740 | |
| 259 | S | A | -0.6652 | |
| 260 | P | A | -0.7204 | |
| 261 | P | A | -0.3514 | |
| 262 | P | A | -0.1317 | |
| 263 | S | A | -0.2190 | |
| 264 | K | A | -0.7187 | |
| 265 | L | A | 1.0609 | |
| 266 | Y | A | 1.1356 | |
| 267 | V | A | 1.3899 | |
| 268 | K | A | 0.6992 | |
| 269 | P | A | 0.6276 | |
| 270 | P | A | 0.0475 | |
| 271 | P | A | -0.0316 | |
| 272 | S | A | -0.2277 | |
| 273 | S | A | 0.3345 | |
| 274 | P | A | 0.7104 | |
| 275 | Y | A | 1.6862 | |
| 276 | Y | A | 1.6022 | |
| 277 | V | A | 2.3356 | |
| 278 | L | A | 1.6336 | |
| 279 | P | A | 0.5975 | |
| 280 | P | A | 0.1709 | |
| 281 | Y | A | 0.3465 | |
| 282 | D | A | -0.2976 | |
| 283 | Y | A | 0.7028 | |
| 284 | F | A | -0.0854 | |
| 285 | T | A | -1.0941 | |
| 286 | L | A | 0.0000 | |
| 287 | P | A | 0.0000 | |
| 288 | D | A | 0.0000 | |
| 289 | Q | A | 0.0000 | |
| 290 | G | A | 0.0000 | |
| 291 | E | A | -2.3236 | |
| 292 | I | A | -2.0935 | |
| 293 | K | A | -3.3823 | |
| 294 | E | A | -3.6499 | |
| 295 | E | A | -3.5181 | |
| 296 | D | A | -2.8248 | |
| 297 | L | A | -1.9288 | |
| 298 | L | A | 0.0000 | |
| 299 | F | A | 0.0000 | |
| 300 | N | A | -0.7251 | |
| 301 | Q | A | -0.8455 | |
| 302 | P | A | -0.2866 | |
| 303 | V | A | -0.0702 | |
| 304 | W | A | -0.6157 | |
| 305 | L | A | 0.0000 | |
| 306 | E | A | -2.6381 | |
| 307 | K | A | -3.1855 | |
| 308 | T | A | 0.0000 | |
| 309 | K | A | -2.4569 | |
| 310 | G | A | -1.5820 | |
| 311 | L | A | -0.4758 | |
| 312 | N | A | 0.0000 | |
| 313 | N | A | -1.5218 | |
| 314 | G | A | 0.0000 | |
| 315 | V | A | 0.0000 | |
| 316 | L | A | 0.0000 | |
| 317 | W | A | 0.0000 | |
| 318 | N | A | -0.7719 | |
| 319 | N | A | -0.7168 | |
| 320 | Q | A | -0.7888 | |
| 321 | L | A | 0.0000 | |
| 322 | Y | A | 0.0000 | |
| 323 | V | A | 0.0000 | |
| 324 | T | A | 0.0000 | |
| 325 | V | A | 0.0000 | |
| 326 | V | A | 0.0000 | |
| 327 | D | A | 0.0000 | |
| 328 | N | A | 0.0000 | |
| 329 | T | A | 0.0000 | |
| 330 | R | A | 0.0000 | |
| 331 | S | A | 0.0000 | |
| 332 | E | A | -2.1438 | |
| 333 | I | A | -2.1530 | |
| 334 | E | A | -3.0516 | |
| 335 | T | A | -2.5936 | |
| 336 | K | A | -2.3418 | |
| 337 | T | A | -0.7322 | |
| 338 | T | A | -0.2396 | |
| 339 | Q | A | -0.3824 | |
| 340 | T | A | -0.1473 | |
| 341 | S | A | -0.5027 | |
| 342 | T | A | -0.4659 | |
| 343 | P | A | -0.6242 | |
| 344 | P | A | -0.4864 | |
| 345 | I | A | 0.0960 | |
| 346 | N | A | -0.1419 | |
| 347 | V | A | 1.6141 | |
| 348 | Y | A | 1.4544 | |
| 349 | D | A | -0.0915 | |
| 350 | P | A | -0.0625 | |
| 351 | S | A | -0.2318 | |
| 352 | N | A | 0.0222 | |
| 353 | Y | A | 0.4236 | |
| 354 | V | A | 1.2438 | |
| 355 | T | A | -0.2254 | |
| 356 | S | A | -1.4520 | |
| 357 | K | A | -2.6424 | |
| 358 | T | A | -1.9221 | |
| 359 | Y | A | 0.0000 | |
| 360 | T | A | -0.7795 | |
| 361 | E | A | 0.0000 | |
| 362 | E | A | -0.1144 | |
| 363 | Y | A | 0.0000 | |
| 364 | Q | A | -0.3266 | |
| 365 | L | A | 0.0000 | |
| 366 | S | A | 0.0000 | |
| 367 | L | A | 0.0000 | |
| 368 | I | A | 0.0000 | |
| 369 | V | A | 0.0000 | |
| 370 | Q | A | -0.4133 | |
| 371 | L | A | 0.0000 | |
| 372 | C | A | 0.0000 | |
| 373 | K | A | -1.0406 | |
| 374 | I | A | 0.0000 | |
| 375 | P | A | -0.9769 | |
| 376 | L | A | -0.8065 | |
| 377 | T | A | -0.8794 | |
| 378 | P | A | -1.4201 | |
| 379 | E | A | -2.3741 | |
| 380 | T | A | 0.0000 | |
| 381 | L | A | -1.7014 | |
| 382 | E | A | -2.8431 | |
| 383 | R | A | -2.4627 | |
| 384 | L | A | 0.0000 | |
| 385 | R | A | -2.7300 | |
| 386 | R | A | -2.7632 | |
| 387 | I | A | -1.3808 | |
| 388 | D | A | -1.1328 | |
| 389 | P | A | -1.3821 | |
| 390 | S | A | -1.5332 | |
| 391 | I | A | 0.0000 | |
| 392 | L | A | 0.0000 | |
| 393 | V | A | -1.2440 | |
| 394 | N | A | -1.6561 | |
| 395 | W | A | -1.0967 | |
| 396 | N | A | -1.4887 | |
| 397 | L | A | 0.0000 | |
| 398 | P | A | 0.2695 | |
| 399 | F | A | 1.4843 | |
| 400 | I | A | 0.6061 | |
| 401 | P | A | -0.2658 | |
| 402 | K | A | -1.6308 | |
| 403 | V | A | -0.3879 | |
| 404 | E | A | -2.5686 | |
| 405 | R | A | -3.0686 | |
| 406 | P | A | -2.3094 | |
| 407 | D | A | -2.7876 | |
| 408 | P | A | -1.4801 | |
| 409 | L | A | -1.0472 | |
| 410 | A | A | -1.1968 | |
| 411 | G | A | -1.2847 | |
| 412 | K | A | -1.6990 | |
| 413 | K | A | -2.3066 | |
| 414 | F | A | -1.3548 | |
| 415 | I | A | -1.1420 | |
| 416 | E | A | -2.3603 | |
| 417 | I | A | 0.0000 | |
| 418 | D | A | -2.6726 | |
| 419 | L | A | 0.0000 | |
| 420 | T | A | -1.6563 | |
| 421 | D | A | -2.3577 | |
| 422 | K | A | -1.9817 | |
| 423 | L | A | -0.8768 | |
| 424 | S | A | -0.9449 | |
| 425 | T | A | -0.7273 | |
| 426 | D | A | -1.8407 | |
| 427 | L | A | -0.6895 | |
| 428 | A | A | -0.8287 | |
| 429 | S | A | -0.9632 | |
| 430 | S | A | 0.0000 | |
| 431 | P | A | -0.4306 | |
| 432 | L | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | Q | A | -1.3083 | |
| 435 | A | A | -0.9412 | |
| 436 | Y | A | -0.3457 | |
| 437 | L | A | 0.0866 | |
| 438 | N | A | -1.6377 | |
| 439 | R | A | -2.0037 |
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