| Chain sequence(s) |
A: MPGIKRILTVTILALCLPSPGNAQAQCTNGFDLDRQSGQCLDIDECRTIPEACRGDMMCVNQNGGYLCIPRTNPVYRGPYSNPYSTPYSGPYPAAAPPLSAPNYPTISRPLICRFGYQMDESNQCVDVDECATDSHQCNPTQICINTEGGYTCSCTDGYWLLEGQCLDIDECRYGYCQQLCANVPGSYSCTCNPGFTLNEDGRSCQDVNECATENPCVQTCVNTYGSFICRCDPGYELEEDGVHCSDMDECSFSEFLCQHECVNQPGTYFCSCPPGYILLDDNRSCQDINECEHRNHTCNLQQTCYNLQGGFKCIDPIRCEEPYLRISDNRCMCPAENPGCRDQPFTILYRDMDVVSGRSVPADIFQMQATTRYPGAYYIFQIKSGNEGREFYMRQTGPISATLVMTRPIKGPREIQLDLEMITVNTVINFRGSSVIRLRIYVSQYPF
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 (00:01:50)
[INFO] Main: Simulation completed successfully. (00:01:53)
|
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 | 0.0286 | |
| 2 | P | A | -1.3304 | |
| 3 | G | A | -1.7138 | |
| 4 | I | A | 0.0000 | |
| 5 | K | A | -2.6651 | |
| 6 | R | A | -2.1191 | |
| 7 | I | A | 0.4369 | |
| 8 | L | A | 1.3868 | |
| 9 | T | A | 0.1029 | |
| 10 | V | A | 0.8046 | |
| 11 | T | A | 1.6762 | |
| 12 | I | A | 2.5939 | |
| 13 | L | A | 1.1553 | |
| 14 | A | A | 1.2504 | |
| 15 | L | A | 2.0184 | |
| 16 | C | A | 1.5753 | |
| 17 | L | A | 0.6275 | |
| 18 | P | A | -0.7193 | |
| 19 | S | A | -0.8771 | |
| 20 | P | A | -0.9210 | |
| 21 | G | A | -1.4888 | |
| 22 | N | A | -2.4287 | |
| 23 | A | A | -1.6752 | |
| 24 | Q | A | -1.3869 | |
| 25 | A | A | 0.0000 | |
| 26 | Q | A | -0.8694 | |
| 27 | C | A | -0.1423 | |
| 28 | T | A | -0.6453 | |
| 29 | N | A | -2.0919 | |
| 30 | G | A | -2.2107 | |
| 31 | F | A | 0.0000 | |
| 32 | D | A | -0.6094 | |
| 33 | L | A | -0.3204 | |
| 34 | D | A | -1.3239 | |
| 35 | R | A | -2.5030 | |
| 36 | Q | A | -2.1594 | |
| 37 | S | A | -1.7314 | |
| 38 | G | A | 0.0000 | |
| 39 | Q | A | -1.3103 | |
| 40 | C | A | 0.0000 | |
| 41 | L | A | 0.5072 | |
| 42 | D | A | -1.2532 | |
| 43 | I | A | -1.1663 | |
| 44 | D | A | -2.7059 | |
| 45 | E | A | -2.1653 | |
| 46 | C | A | -1.6586 | |
| 47 | R | A | -2.2886 | |
| 48 | T | A | -0.7064 | |
| 49 | I | A | 1.1271 | |
| 50 | P | A | -0.6270 | |
| 51 | E | A | -2.2037 | |
| 52 | A | A | -0.8289 | |
| 53 | C | A | -0.3636 | |
| 54 | R | A | -1.1015 | |
| 55 | G | A | -1.2561 | |
| 56 | D | A | -1.1911 | |
| 57 | M | A | 0.0000 | |
| 58 | M | A | 0.2581 | |
| 59 | C | A | -0.3295 | |
| 60 | V | A | 0.1409 | |
| 61 | N | A | -2.2503 | |
| 62 | Q | A | -2.5516 | |
| 63 | N | A | -2.7517 | |
| 64 | G | A | -1.4838 | |
| 65 | G | A | -1.5366 | |
| 66 | Y | A | -0.8016 | |
| 67 | L | A | 0.5241 | |
| 68 | C | A | 0.5708 | |
| 69 | I | A | 0.8031 | |
| 70 | P | A | 0.0000 | |
| 71 | R | A | -1.1366 | |
| 72 | T | A | -0.4214 | |
| 73 | N | A | -0.1193 | |
| 74 | P | A | 0.0000 | |
| 75 | V | A | 1.2444 | |
| 76 | Y | A | 0.9212 | |
| 77 | R | A | -0.5211 | |
| 78 | G | A | -0.7269 | |
| 79 | P | A | -0.1702 | |
| 80 | Y | A | 0.5866 | |
| 81 | S | A | 0.0563 | |
| 82 | N | A | 0.2702 | |
| 83 | P | A | 0.4690 | |
| 84 | Y | A | 1.4312 | |
| 85 | S | A | 1.0055 | |
| 86 | T | A | 0.7623 | |
| 87 | P | A | 0.0000 | |
| 88 | Y | A | 1.2825 | |
| 89 | S | A | 0.1907 | |
| 90 | G | A | -0.3109 | |
| 91 | P | A | -0.1837 | |
| 92 | Y | A | 0.3219 | |
| 93 | P | A | -0.1406 | |
| 94 | A | A | -0.0875 | |
| 95 | A | A | -0.0170 | |
| 96 | A | A | 0.3451 | |
| 97 | P | A | 0.3105 | |
| 98 | P | A | 0.4990 | |
| 99 | L | A | 0.3877 | |
| 100 | S | A | -0.0133 | |
| 101 | A | A | -0.4477 | |
| 102 | P | A | -0.7654 | |
| 103 | N | A | -1.2370 | |
| 104 | Y | A | -0.2904 | |
| 105 | P | A | 0.0530 | |
| 106 | T | A | 0.3500 | |
| 107 | I | A | 1.3384 | |
| 108 | S | A | -0.0924 | |
| 109 | R | A | -0.2656 | |
| 110 | P | A | 0.2913 | |
| 111 | L | A | 0.9577 | |
| 112 | I | A | 1.1287 | |
| 113 | C | A | 0.0000 | |
| 114 | R | A | 0.0378 | |
| 115 | F | A | 1.3065 | |
| 116 | G | A | -0.0863 | |
| 117 | Y | A | 0.0000 | |
| 118 | Q | A | -1.2915 | |
| 119 | M | A | -1.4926 | |
| 120 | D | A | -1.8947 | |
| 121 | E | A | 0.0000 | |
| 122 | S | A | -0.8115 | |
| 123 | N | A | -1.9065 | |
| 124 | Q | A | -1.7078 | |
| 125 | C | A | -0.8365 | |
| 126 | V | A | -0.5501 | |
| 127 | D | A | -2.0086 | |
| 128 | V | A | -1.6180 | |
| 129 | D | A | -2.8638 | |
| 130 | E | A | -2.8832 | |
| 131 | C | A | 0.0000 | |
| 132 | A | A | -1.2311 | |
| 133 | T | A | -1.3371 | |
| 134 | D | A | -2.1144 | |
| 135 | S | A | -1.4625 | |
| 136 | H | A | -1.6715 | |
| 137 | Q | A | -1.1598 | |
| 138 | C | A | -0.6218 | |
| 139 | N | A | -0.7731 | |
| 140 | P | A | -0.7809 | |
| 141 | T | A | -0.7057 | |
| 142 | Q | A | -0.5572 | |
| 143 | I | A | 0.0000 | |
| 144 | C | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | N | A | -1.9529 | |
| 147 | T | A | 0.0000 | |
| 148 | E | A | -2.7165 | |
| 149 | G | A | -1.7594 | |
| 150 | G | A | -1.1924 | |
| 151 | Y | A | -0.8032 | |
| 152 | T | A | -0.5077 | |
| 153 | C | A | -0.5255 | |
| 154 | S | A | -0.7316 | |
| 155 | C | A | -0.1120 | |
| 156 | T | A | -0.9228 | |
| 157 | D | A | -1.4210 | |
| 158 | G | A | -0.8797 | |
| 159 | Y | A | 0.2508 | |
| 160 | W | A | 1.3300 | |
| 161 | L | A | 0.0000 | |
| 162 | L | A | 1.3254 | |
| 163 | E | A | 0.0000 | |
| 164 | G | A | 0.0000 | |
| 165 | Q | A | -0.9631 | |
| 166 | C | A | 0.0000 | |
| 167 | L | A | 0.0000 | |
| 168 | D | A | -2.6287 | |
| 169 | I | A | 0.0000 | |
| 170 | D | A | -2.6766 | |
| 171 | E | A | -1.8423 | |
| 172 | C | A | -1.2798 | |
| 173 | R | A | -1.6289 | |
| 174 | Y | A | -0.4117 | |
| 175 | G | A | -0.5292 | |
| 176 | Y | A | -0.5390 | |
| 177 | C | A | -0.5808 | |
| 178 | Q | A | -1.3994 | |
| 179 | Q | A | -0.2683 | |
| 180 | L | A | 0.9452 | |
| 181 | C | A | 0.5312 | |
| 182 | A | A | 0.2287 | |
| 183 | N | A | -1.0712 | |
| 184 | V | A | -0.2551 | |
| 185 | P | A | -0.6426 | |
| 186 | G | A | -0.8201 | |
| 187 | S | A | 0.0000 | |
| 188 | Y | A | 0.0000 | |
| 189 | S | A | 0.0000 | |
| 190 | C | A | 0.0000 | |
| 191 | T | A | 1.0651 | |
| 192 | C | A | 1.0352 | |
| 193 | N | A | 0.0000 | |
| 194 | P | A | 0.0000 | |
| 195 | G | A | 0.0000 | |
| 196 | F | A | 0.8664 | |
| 197 | T | A | 0.4971 | |
| 198 | L | A | 0.0000 | |
| 199 | N | A | 0.0000 | |
| 200 | E | A | 0.0000 | |
| 201 | D | A | -1.6361 | |
| 202 | G | A | 0.0000 | |
| 203 | R | A | -2.0544 | |
| 204 | S | A | 0.0000 | |
| 205 | C | A | -1.2684 | |
| 206 | Q | A | -1.5511 | |
| 207 | D | A | -2.1013 | |
| 208 | V | A | -1.0869 | |
| 209 | N | A | -2.1611 | |
| 210 | E | A | 0.0000 | |
| 211 | C | A | 0.0000 | |
| 212 | A | A | -1.0398 | |
| 213 | T | A | -1.3352 | |
| 214 | E | A | -2.8233 | |
| 215 | N | A | -2.2652 | |
| 216 | P | A | 0.0000 | |
| 217 | C | A | 0.0000 | |
| 218 | V | A | 0.0000 | |
| 219 | Q | A | 0.0000 | |
| 220 | T | A | 0.0000 | |
| 221 | C | A | 0.0000 | |
| 222 | V | A | 0.0000 | |
| 223 | N | A | -0.1568 | |
| 224 | T | A | 0.1786 | |
| 225 | Y | A | 0.9224 | |
| 226 | G | A | 0.0000 | |
| 227 | S | A | 0.0137 | |
| 228 | F | A | -0.0090 | |
| 229 | I | A | -0.4972 | |
| 230 | C | A | -0.6652 | |
| 231 | R | A | -1.9237 | |
| 232 | C | A | -1.4816 | |
| 233 | D | A | -2.5255 | |
| 234 | P | A | -1.9622 | |
| 235 | G | A | -1.9815 | |
| 236 | Y | A | 0.0000 | |
| 237 | E | A | -3.0977 | |
| 238 | L | A | -2.7290 | |
| 239 | E | A | -3.6811 | |
| 240 | E | A | -3.9136 | |
| 241 | D | A | -3.2856 | |
| 242 | G | A | -2.1594 | |
| 243 | V | A | 0.0000 | |
| 244 | H | A | -2.1521 | |
| 245 | C | A | 0.0000 | |
| 246 | S | A | -1.4966 | |
| 247 | D | A | -1.8264 | |
| 248 | M | A | -1.8709 | |
| 249 | D | A | -2.2802 | |
| 250 | E | A | 0.0000 | |
| 251 | C | A | -1.3444 | |
| 252 | S | A | -1.2956 | |
| 253 | F | A | 0.0000 | |
| 254 | S | A | -0.8770 | |
| 255 | E | A | -0.9367 | |
| 256 | F | A | -1.3876 | |
| 257 | L | A | -0.7535 | |
| 258 | C | A | -0.3668 | |
| 259 | Q | A | -1.5199 | |
| 260 | H | A | -1.8380 | |
| 261 | E | A | -2.5481 | |
| 262 | C | A | -1.2149 | |
| 263 | V | A | -0.4959 | |
| 264 | N | A | -1.5990 | |
| 265 | Q | A | -2.0590 | |
| 266 | P | A | -1.4669 | |
| 267 | G | A | -1.4615 | |
| 268 | T | A | 0.0000 | |
| 269 | Y | A | -0.7612 | |
| 270 | F | A | 0.0000 | |
| 271 | C | A | -0.2730 | |
| 272 | S | A | -0.6251 | |
| 273 | C | A | -0.5244 | |
| 274 | P | A | -0.4880 | |
| 275 | P | A | -0.4832 | |
| 276 | G | A | -0.4007 | |
| 277 | Y | A | 0.0137 | |
| 278 | I | A | 0.0000 | |
| 279 | L | A | 0.0000 | |
| 280 | L | A | 0.0000 | |
| 281 | D | A | 0.0000 | |
| 282 | D | A | -1.1505 | |
| 283 | N | A | 0.0000 | |
| 284 | R | A | -1.3995 | |
| 285 | S | A | 0.0000 | |
| 286 | C | A | -0.5794 | |
| 287 | Q | A | 0.0000 | |
| 288 | D | A | 0.0000 | |
| 289 | I | A | 0.0000 | |
| 290 | N | A | 0.0000 | |
| 291 | E | A | 0.0000 | |
| 292 | C | A | -0.8079 | |
| 293 | E | A | -0.6455 | |
| 294 | H | A | -0.8317 | |
| 295 | R | A | -1.1034 | |
| 296 | N | A | -1.1598 | |
| 297 | H | A | -1.1832 | |
| 298 | T | A | -0.8814 | |
| 299 | C | A | -0.4682 | |
| 300 | N | A | -0.3619 | |
| 301 | L | A | 0.6531 | |
| 302 | Q | A | -0.5393 | |
| 303 | Q | A | -0.2884 | |
| 304 | T | A | -0.2360 | |
| 305 | C | A | 0.2443 | |
| 306 | Y | A | 0.3875 | |
| 307 | N | A | -0.7637 | |
| 308 | L | A | -0.1624 | |
| 309 | Q | A | -1.0273 | |
| 310 | G | A | -0.7061 | |
| 311 | G | A | 0.0000 | |
| 312 | F | A | 0.1125 | |
| 313 | K | A | 0.1384 | |
| 314 | C | A | -0.0857 | |
| 315 | I | A | 0.0000 | |
| 316 | D | A | -0.3533 | |
| 317 | P | A | -0.0130 | |
| 318 | I | A | 1.1155 | |
| 319 | R | A | -0.1574 | |
| 320 | C | A | -0.3828 | |
| 321 | E | A | -1.0268 | |
| 322 | E | A | -1.5677 | |
| 323 | P | A | -0.8943 | |
| 324 | Y | A | 0.0542 | |
| 325 | L | A | 0.5138 | |
| 326 | R | A | -0.8950 | |
| 327 | I | A | 0.6900 | |
| 328 | S | A | -1.0872 | |
| 329 | D | A | -2.2074 | |
| 330 | N | A | -1.4191 | |
| 331 | R | A | -1.9792 | |
| 332 | C | A | -0.1329 | |
| 333 | M | A | 0.9945 | |
| 334 | C | A | 0.0000 | |
| 335 | P | A | -0.0207 | |
| 336 | A | A | -0.7902 | |
| 337 | E | A | -2.1846 | |
| 338 | N | A | -1.3591 | |
| 339 | P | A | -0.9011 | |
| 340 | G | A | 0.0000 | |
| 341 | C | A | -0.0007 | |
| 342 | R | A | -1.1972 | |
| 343 | D | A | -1.9292 | |
| 344 | Q | A | -1.1658 | |
| 345 | P | A | -0.2573 | |
| 346 | F | A | 1.3098 | |
| 347 | T | A | 0.5812 | |
| 348 | I | A | 0.8959 | |
| 349 | L | A | 0.8437 | |
| 350 | Y | A | 0.0880 | |
| 351 | R | A | -1.5093 | |
| 352 | D | A | -2.0336 | |
| 353 | M | A | -0.3186 | |
| 354 | D | A | -0.8019 | |
| 355 | V | A | 1.6820 | |
| 356 | V | A | 1.3863 | |
| 357 | S | A | 0.5447 | |
| 358 | G | A | -0.5645 | |
| 359 | R | A | -1.6849 | |
| 360 | S | A | -0.8733 | |
| 361 | V | A | 0.6373 | |
| 362 | P | A | -0.7283 | |
| 363 | A | A | 0.0000 | |
| 364 | D | A | -0.7513 | |
| 365 | I | A | 0.8108 | |
| 366 | F | A | 2.0040 | |
| 367 | Q | A | 0.9694 | |
| 368 | M | A | 1.0790 | |
| 369 | Q | A | -0.6843 | |
| 370 | A | A | -0.5058 | |
| 371 | T | A | -0.5759 | |
| 372 | T | A | -0.7479 | |
| 373 | R | A | -1.2019 | |
| 374 | Y | A | 0.6014 | |
| 375 | P | A | -0.1558 | |
| 376 | G | A | 0.0070 | |
| 377 | A | A | 1.2517 | |
| 378 | Y | A | 2.5836 | |
| 379 | Y | A | 2.6583 | |
| 380 | I | A | 2.2129 | |
| 381 | F | A | 1.0902 | |
| 382 | Q | A | -0.6602 | |
| 383 | I | A | -0.7833 | |
| 384 | K | A | -2.2582 | |
| 385 | S | A | -2.4235 | |
| 386 | G | A | -2.7882 | |
| 387 | N | A | -3.3661 | |
| 388 | E | A | -3.7078 | |
| 389 | G | A | -3.0672 | |
| 390 | R | A | -3.1191 | |
| 391 | E | A | -1.6780 | |
| 392 | F | A | 0.8956 | |
| 393 | Y | A | 1.1490 | |
| 394 | M | A | 0.7514 | |
| 395 | R | A | -1.3754 | |
| 396 | Q | A | -1.7577 | |
| 397 | T | A | -1.0800 | |
| 398 | G | A | -0.5380 | |
| 399 | P | A | 0.2292 | |
| 400 | I | A | 1.6452 | |
| 401 | S | A | 0.7933 | |
| 402 | A | A | 1.0596 | |
| 403 | T | A | 1.5337 | |
| 404 | L | A | 2.6223 | |
| 405 | V | A | 2.7925 | |
| 406 | M | A | 1.6303 | |
| 407 | T | A | -0.6421 | |
| 408 | R | A | -2.1397 | |
| 409 | P | A | -1.6058 | |
| 410 | I | A | -1.6994 | |
| 411 | K | A | -2.6563 | |
| 412 | G | A | -1.9833 | |
| 413 | P | A | -1.7347 | |
| 414 | R | A | -2.9387 | |
| 415 | E | A | -2.4105 | |
| 416 | I | A | -0.4843 | |
| 417 | Q | A | -0.6213 | |
| 418 | L | A | -0.3010 | |
| 419 | D | A | -1.4628 | |
| 420 | L | A | -1.0728 | |
| 421 | E | A | -1.9450 | |
| 422 | M | A | -0.2698 | |
| 423 | I | A | 0.8231 | |
| 424 | T | A | 1.2710 | |
| 425 | V | A | 1.7926 | |
| 426 | N | A | 1.2589 | |
| 427 | T | A | 1.2333 | |
| 428 | V | A | 1.7604 | |
| 429 | I | A | 1.8093 | |
| 430 | N | A | 0.1446 | |
| 431 | F | A | -0.0635 | |
| 432 | R | A | -2.1386 | |
| 433 | G | A | -1.1452 | |
| 434 | S | A | -0.8618 | |
| 435 | S | A | 0.0915 | |
| 436 | V | A | 1.1424 | |
| 437 | I | A | -0.4285 | |
| 438 | R | A | -1.8250 | |
| 439 | L | A | -1.1219 | |
| 440 | R | A | -1.2562 | |
| 441 | I | A | 1.1849 | |
| 442 | Y | A | 2.0215 | |
| 443 | V | A | 1.8705 | |
| 444 | S | A | 0.5990 | |
| 445 | Q | A | -0.1265 | |
| 446 | Y | A | 1.3196 | |
| 447 | P | A | 1.0434 | |
| 448 | F | A | 2.0947 |
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