| Chain sequence(s) |
A: MGVLKFKHIFFRSFVKSSGVSQIVFTFLLIPCCLTLNFRAPPVIPNVPFLWAWNAPSEFCLGKFDEPLDMSLFSFIGSPRINATGQGVTIFYVDRLGYYPYIDSITGVTVNGGIPQKISLQDHLDKAKKDITFYMPVDNLGMAVIDWEEWRPTWARNWKPKDVYKNRSIELVQQQNVQLSLTEATEKAKQEFEKAGKDFLVETIKLGKLLRPNHLWGYYLFPDCYNHHYKKPGYNGSCFNVEIKRNDDLSWLWNESTALYPSIYLNTQQSPVAATLYVRNRVREAIRVSKIPDAKSPLPVFAYTRIVFTDQVLKFLSQDELVYTFGETVALGASGIVIWGTLSIMRSMKSCLLLDNYMETILNPYIINVTLAAKMCSQVLCQEQGVCIRKNWNSSDYLHLNPDNFAIQLEKGGKFTVRGKPTLEDLEQFSEKFYCSCYSTLSCKEKADVKDTDAVDVCIADGVCIDAFLKPPMETEEPQIFYNASPSTLSATMFIVSILFLIISSVASL
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] (00:00:01)
[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] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:07:20)
[INFO] Main: Simulation completed successfully. (00:07:24)
|
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 | 1.5367 | |
| 2 | G | A | 1.1188 | |
| 3 | V | A | 2.3280 | |
| 4 | L | A | 1.9362 | |
| 5 | K | A | -0.1343 | |
| 6 | F | A | 0.9772 | |
| 7 | K | A | -0.7063 | |
| 8 | H | A | 0.2208 | |
| 9 | I | A | 2.5968 | |
| 10 | F | A | 2.8824 | |
| 11 | F | A | 2.5800 | |
| 12 | R | A | 0.6515 | |
| 13 | S | A | 1.2610 | |
| 14 | F | A | 2.3788 | |
| 15 | V | A | 1.6110 | |
| 16 | K | A | -0.5002 | |
| 17 | S | A | -0.4073 | |
| 18 | S | A | -0.3481 | |
| 19 | G | A | -0.1821 | |
| 20 | V | A | 1.0506 | |
| 21 | S | A | 0.7889 | |
| 22 | Q | A | 0.8404 | |
| 23 | I | A | 3.3580 | |
| 24 | V | A | 3.7295 | |
| 25 | F | A | 3.7133 | |
| 26 | T | A | 3.2070 | |
| 27 | F | A | 4.1632 | |
| 28 | L | A | 4.0491 | |
| 29 | L | A | 3.8855 | |
| 30 | I | A | 3.6935 | |
| 31 | P | A | 2.1728 | |
| 32 | C | A | 2.2094 | |
| 33 | C | A | 2.0972 | |
| 34 | L | A | 2.1075 | |
| 35 | T | A | 0.9551 | |
| 36 | L | A | 0.4934 | |
| 37 | N | A | -0.2523 | |
| 38 | F | A | -0.4205 | |
| 39 | R | A | 0.0000 | |
| 40 | A | A | -0.2383 | |
| 41 | P | A | -0.0303 | |
| 42 | P | A | -0.0647 | |
| 43 | V | A | 0.4312 | |
| 44 | I | A | 0.2631 | |
| 45 | P | A | -0.4959 | |
| 46 | N | A | -1.2821 | |
| 47 | V | A | -0.0259 | |
| 48 | P | A | -0.4031 | |
| 49 | F | A | 0.0000 | |
| 50 | L | A | 0.0000 | |
| 51 | W | A | 0.0000 | |
| 52 | A | A | 0.0000 | |
| 53 | W | A | 0.0000 | |
| 54 | N | A | 0.0000 | |
| 55 | A | A | 0.0000 | |
| 56 | P | A | 0.0000 | |
| 57 | S | A | -0.0403 | |
| 58 | E | A | -0.7264 | |
| 59 | F | A | 1.1873 | |
| 60 | C | A | 0.0000 | |
| 61 | L | A | -0.6684 | |
| 62 | G | A | 0.0000 | |
| 63 | K | A | -1.6540 | |
| 64 | F | A | -0.2420 | |
| 65 | D | A | -2.0152 | |
| 66 | E | A | -2.5761 | |
| 67 | P | A | -1.5125 | |
| 68 | L | A | 0.0000 | |
| 69 | D | A | -1.3325 | |
| 70 | M | A | -0.2798 | |
| 71 | S | A | -0.7589 | |
| 72 | L | A | 0.0000 | |
| 73 | F | A | 0.0000 | |
| 74 | S | A | 0.2343 | |
| 75 | F | A | 0.0000 | |
| 76 | I | A | 0.6902 | |
| 77 | G | A | 0.0000 | |
| 78 | S | A | 0.0000 | |
| 79 | P | A | 0.1050 | |
| 80 | R | A | -0.0647 | |
| 81 | I | A | 0.6410 | |
| 82 | N | A | -0.4299 | |
| 83 | A | A | -0.2668 | |
| 84 | T | A | 0.0350 | |
| 85 | G | A | -0.2753 | |
| 86 | Q | A | -0.1857 | |
| 87 | G | A | -0.0736 | |
| 88 | V | A | 0.0000 | |
| 89 | T | A | 0.0000 | |
| 90 | I | A | 0.0000 | |
| 91 | F | A | 0.0000 | |
| 92 | Y | A | -0.1470 | |
| 93 | V | A | -0.5901 | |
| 94 | D | A | -1.3125 | |
| 95 | R | A | -0.4137 | |
| 96 | L | A | 0.0000 | |
| 97 | G | A | 0.0000 | |
| 98 | Y | A | -0.4106 | |
| 99 | Y | A | 0.0000 | |
| 100 | P | A | 0.0000 | |
| 101 | Y | A | 0.0473 | |
| 102 | I | A | 0.0000 | |
| 103 | D | A | 0.5169 | |
| 104 | S | A | 0.5772 | |
| 105 | I | A | 1.8775 | |
| 106 | T | A | 1.0087 | |
| 107 | G | A | 0.7163 | |
| 108 | V | A | 1.4725 | |
| 109 | T | A | 0.4928 | |
| 110 | V | A | 0.2960 | |
| 111 | N | A | -0.3159 | |
| 112 | G | A | -0.7218 | |
| 113 | G | A | 0.0000 | |
| 114 | I | A | 0.0000 | |
| 115 | P | A | 0.0000 | |
| 116 | Q | A | -1.5550 | |
| 117 | K | A | -1.7717 | |
| 118 | I | A | -1.1313 | |
| 119 | S | A | -1.2430 | |
| 120 | L | A | -1.2129 | |
| 121 | Q | A | -2.1828 | |
| 122 | D | A | -2.6148 | |
| 123 | H | A | 0.0000 | |
| 124 | L | A | -1.8459 | |
| 125 | D | A | -2.5290 | |
| 126 | K | A | -2.2247 | |
| 127 | A | A | 0.0000 | |
| 128 | K | A | -1.9461 | |
| 129 | K | A | -2.1285 | |
| 130 | D | A | -1.1903 | |
| 131 | I | A | 0.0000 | |
| 132 | T | A | -0.0701 | |
| 133 | F | A | 0.9265 | |
| 134 | Y | A | 0.0000 | |
| 135 | M | A | 0.0000 | |
| 136 | P | A | 0.6127 | |
| 137 | V | A | 0.9939 | |
| 138 | D | A | -0.7335 | |
| 139 | N | A | -1.2927 | |
| 140 | L | A | -0.3812 | |
| 141 | G | A | 0.0000 | |
| 142 | M | A | 0.0000 | |
| 143 | A | A | 0.0000 | |
| 144 | V | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | D | A | -0.2435 | |
| 147 | W | A | 0.0000 | |
| 148 | E | A | -0.9564 | |
| 149 | E | A | -0.9305 | |
| 150 | W | A | 0.0000 | |
| 151 | R | A | 0.0000 | |
| 152 | P | A | 0.0000 | |
| 153 | T | A | -0.7249 | |
| 154 | W | A | 0.0000 | |
| 155 | A | A | -0.0573 | |
| 156 | R | A | 0.0000 | |
| 157 | N | A | 0.0000 | |
| 158 | W | A | -0.3553 | |
| 159 | K | A | -1.6479 | |
| 160 | P | A | -1.3129 | |
| 161 | K | A | -1.2113 | |
| 162 | D | A | -1.1015 | |
| 163 | V | A | -0.8327 | |
| 164 | Y | A | 0.0000 | |
| 165 | K | A | -1.2247 | |
| 166 | N | A | -1.7648 | |
| 167 | R | A | -1.7641 | |
| 168 | S | A | 0.0000 | |
| 169 | I | A | -2.0722 | |
| 170 | E | A | -2.2213 | |
| 171 | L | A | -1.8381 | |
| 172 | V | A | -1.7796 | |
| 173 | Q | A | -1.6264 | |
| 174 | Q | A | -2.0093 | |
| 175 | Q | A | -1.9394 | |
| 176 | N | A | -1.2165 | |
| 177 | V | A | 0.2191 | |
| 178 | Q | A | -0.7867 | |
| 179 | L | A | -0.5824 | |
| 180 | S | A | 0.0829 | |
| 181 | L | A | 0.5235 | |
| 182 | T | A | -0.6552 | |
| 183 | E | A | -2.1494 | |
| 184 | A | A | 0.0000 | |
| 185 | T | A | -2.1932 | |
| 186 | E | A | -3.4313 | |
| 187 | K | A | -3.4303 | |
| 188 | A | A | 0.0000 | |
| 189 | K | A | -3.2184 | |
| 190 | Q | A | -3.7025 | |
| 191 | E | A | -3.6419 | |
| 192 | F | A | 0.0000 | |
| 193 | E | A | -2.3696 | |
| 194 | K | A | -2.8388 | |
| 195 | A | A | -1.9498 | |
| 196 | G | A | 0.0000 | |
| 197 | K | A | -1.5501 | |
| 198 | D | A | -1.2214 | |
| 199 | F | A | 0.0000 | |
| 200 | L | A | 0.0000 | |
| 201 | V | A | -0.9393 | |
| 202 | E | A | -1.4284 | |
| 203 | T | A | 0.0000 | |
| 204 | I | A | 0.0000 | |
| 205 | K | A | -0.9424 | |
| 206 | L | A | -0.3549 | |
| 207 | G | A | 0.0000 | |
| 208 | K | A | -0.3582 | |
| 209 | L | A | 0.8976 | |
| 210 | L | A | 0.3835 | |
| 211 | R | A | -0.3904 | |
| 212 | P | A | -0.8513 | |
| 213 | N | A | -1.3370 | |
| 214 | H | A | 0.0000 | |
| 215 | L | A | -0.0879 | |
| 216 | W | A | 0.0000 | |
| 217 | G | A | 0.0000 | |
| 218 | Y | A | 0.0000 | |
| 219 | Y | A | 0.0521 | |
| 220 | L | A | 0.0839 | |
| 221 | F | A | 0.0000 | |
| 222 | P | A | 0.0000 | |
| 223 | D | A | 0.0000 | |
| 224 | C | A | 0.0000 | |
| 225 | Y | A | -0.0416 | |
| 226 | N | A | 0.0000 | |
| 227 | H | A | -1.6231 | |
| 228 | H | A | -2.1895 | |
| 229 | Y | A | -1.9448 | |
| 230 | K | A | -3.0475 | |
| 231 | K | A | -3.0705 | |
| 232 | P | A | -1.8333 | |
| 233 | G | A | -1.5121 | |
| 234 | Y | A | -1.5171 | |
| 235 | N | A | -1.3071 | |
| 236 | G | A | 0.0000 | |
| 237 | S | A | -0.5759 | |
| 238 | C | A | 0.0000 | |
| 239 | F | A | 0.4660 | |
| 240 | N | A | -0.6945 | |
| 241 | V | A | 0.1358 | |
| 242 | E | A | 0.0000 | |
| 243 | I | A | -0.7980 | |
| 244 | K | A | -2.1100 | |
| 245 | R | A | -1.6049 | |
| 246 | N | A | 0.0000 | |
| 247 | D | A | -1.6878 | |
| 248 | D | A | -2.4588 | |
| 249 | L | A | 0.0000 | |
| 250 | S | A | -0.9235 | |
| 251 | W | A | -0.6913 | |
| 252 | L | A | 0.0000 | |
| 253 | W | A | 0.0000 | |
| 254 | N | A | -1.4579 | |
| 255 | E | A | -1.1636 | |
| 256 | S | A | 0.0000 | |
| 257 | T | A | -0.4009 | |
| 258 | A | A | 0.0000 | |
| 259 | L | A | 0.0000 | |
| 260 | Y | A | 0.0000 | |
| 261 | P | A | 0.0000 | |
| 262 | S | A | 0.0000 | |
| 263 | I | A | 0.0000 | |
| 264 | Y | A | 0.1573 | |
| 265 | L | A | 0.0000 | |
| 266 | N | A | -0.8567 | |
| 267 | T | A | -1.2618 | |
| 268 | Q | A | -1.4805 | |
| 269 | Q | A | -0.8717 | |
| 270 | S | A | -0.2253 | |
| 271 | P | A | 0.1149 | |
| 272 | V | A | 1.5221 | |
| 273 | A | A | 0.0000 | |
| 274 | A | A | 0.0000 | |
| 275 | T | A | 0.3623 | |
| 276 | L | A | 0.1696 | |
| 277 | Y | A | 0.0000 | |
| 278 | V | A | 0.0000 | |
| 279 | R | A | 0.0000 | |
| 280 | N | A | 0.0000 | |
| 281 | R | A | 0.0000 | |
| 282 | V | A | 0.0000 | |
| 283 | R | A | -0.8846 | |
| 284 | E | A | 0.0000 | |
| 285 | A | A | 0.0000 | |
| 286 | I | A | 0.0000 | |
| 287 | R | A | -0.8129 | |
| 288 | V | A | 0.0000 | |
| 289 | S | A | 0.0000 | |
| 290 | K | A | -1.4568 | |
| 291 | I | A | -0.6145 | |
| 292 | P | A | -1.2897 | |
| 293 | D | A | -2.0944 | |
| 294 | A | A | -1.6204 | |
| 295 | K | A | -2.1894 | |
| 296 | S | A | -1.4170 | |
| 297 | P | A | 0.0000 | |
| 298 | L | A | -0.5345 | |
| 299 | P | A | 0.0186 | |
| 300 | V | A | 0.0000 | |
| 301 | F | A | 0.0000 | |
| 302 | A | A | 0.0000 | |
| 303 | Y | A | 0.0000 | |
| 304 | T | A | 0.0000 | |
| 305 | R | A | 0.0000 | |
| 306 | I | A | 0.0000 | |
| 307 | V | A | 0.0000 | |
| 308 | F | A | 0.0000 | |
| 309 | T | A | -0.5797 | |
| 310 | D | A | -1.3577 | |
| 311 | Q | A | -1.2242 | |
| 312 | V | A | 0.2590 | |
| 313 | L | A | 0.8779 | |
| 314 | K | A | -1.0117 | |
| 315 | F | A | -0.0218 | |
| 316 | L | A | 0.0000 | |
| 317 | S | A | -1.1237 | |
| 318 | Q | A | -1.4511 | |
| 319 | D | A | -2.2203 | |
| 320 | E | A | -1.3292 | |
| 321 | L | A | 0.0000 | |
| 322 | V | A | -0.6723 | |
| 323 | Y | A | -0.1477 | |
| 324 | T | A | 0.0000 | |
| 325 | F | A | 0.0000 | |
| 326 | G | A | 0.0000 | |
| 327 | E | A | 0.0000 | |
| 328 | T | A | 0.0000 | |
| 329 | V | A | 0.0000 | |
| 330 | A | A | 0.0000 | |
| 331 | L | A | 0.0000 | |
| 332 | G | A | 0.0000 | |
| 333 | A | A | 0.0000 | |
| 334 | S | A | 0.0914 | |
| 335 | G | A | 0.0000 | |
| 336 | I | A | 0.0000 | |
| 337 | V | A | 0.0000 | |
| 338 | I | A | 0.0000 | |
| 339 | W | A | 0.1942 | |
| 340 | G | A | 0.0000 | |
| 341 | T | A | 0.5285 | |
| 342 | L | A | 1.0229 | |
| 343 | S | A | 0.5451 | |
| 344 | I | A | 0.0000 | |
| 345 | M | A | 0.0000 | |
| 346 | R | A | -1.2713 | |
| 347 | S | A | -0.5152 | |
| 348 | M | A | -0.1631 | |
| 349 | K | A | -1.1489 | |
| 350 | S | A | -0.2332 | |
| 351 | C | A | 0.0000 | |
| 352 | L | A | -0.1481 | |
| 353 | L | A | 0.5871 | |
| 354 | L | A | 0.0000 | |
| 355 | D | A | -1.3170 | |
| 356 | N | A | -1.2599 | |
| 357 | Y | A | 0.0000 | |
| 358 | M | A | 0.0000 | |
| 359 | E | A | -1.6120 | |
| 360 | T | A | -0.7978 | |
| 361 | I | A | -0.2388 | |
| 362 | L | A | 0.0000 | |
| 363 | N | A | 0.0000 | |
| 364 | P | A | -0.2017 | |
| 365 | Y | A | 0.0000 | |
| 366 | I | A | 0.0000 | |
| 367 | I | A | 0.0000 | |
| 368 | N | A | -0.3130 | |
| 369 | V | A | 0.0000 | |
| 370 | T | A | 0.0000 | |
| 371 | L | A | 0.0000 | |
| 372 | A | A | 0.0000 | |
| 373 | A | A | -0.1250 | |
| 374 | K | A | -0.8097 | |
| 375 | M | A | 0.0000 | |
| 376 | C | A | 0.0000 | |
| 377 | S | A | 0.0000 | |
| 378 | Q | A | -1.5993 | |
| 379 | V | A | 0.0000 | |
| 380 | L | A | 0.0000 | |
| 381 | C | A | 0.0000 | |
| 382 | Q | A | -2.5679 | |
| 383 | E | A | -2.6122 | |
| 384 | Q | A | -1.9074 | |
| 385 | G | A | 0.0000 | |
| 386 | V | A | -0.3070 | |
| 387 | C | A | 0.0000 | |
| 388 | I | A | 0.0000 | |
| 389 | R | A | 0.0000 | |
| 390 | K | A | -2.7057 | |
| 391 | N | A | -2.2954 | |
| 392 | W | A | -1.2379 | |
| 393 | N | A | -1.4666 | |
| 394 | S | A | -1.2710 | |
| 395 | S | A | -0.6599 | |
| 396 | D | A | -1.0553 | |
| 397 | Y | A | -0.1017 | |
| 398 | L | A | 0.0000 | |
| 399 | H | A | -0.4295 | |
| 400 | L | A | 0.0000 | |
| 401 | N | A | -1.6543 | |
| 402 | P | A | -1.4716 | |
| 403 | D | A | -2.3700 | |
| 404 | N | A | -2.1525 | |
| 405 | F | A | 0.0000 | |
| 406 | A | A | -1.2544 | |
| 407 | I | A | -0.4772 | |
| 408 | Q | A | -1.2855 | |
| 409 | L | A | -1.3167 | |
| 410 | E | A | -2.5670 | |
| 411 | K | A | -2.8490 | |
| 412 | G | A | -2.1354 | |
| 413 | G | A | -2.3031 | |
| 414 | K | A | -2.8278 | |
| 415 | F | A | 0.0000 | |
| 416 | T | A | -1.1941 | |
| 417 | V | A | -1.1082 | |
| 418 | R | A | -2.4832 | |
| 419 | G | A | -2.5408 | |
| 420 | K | A | -2.1046 | |
| 421 | P | A | 0.0000 | |
| 422 | T | A | -0.7574 | |
| 423 | L | A | -1.0849 | |
| 424 | E | A | -2.1790 | |
| 425 | D | A | 0.0000 | |
| 426 | L | A | 0.0000 | |
| 427 | E | A | -2.6396 | |
| 428 | Q | A | -2.5638 | |
| 429 | F | A | 0.0000 | |
| 430 | S | A | -2.3882 | |
| 431 | E | A | -2.8936 | |
| 432 | K | A | -2.5132 | |
| 433 | F | A | 0.0000 | |
| 434 | Y | A | -1.0362 | |
| 435 | C | A | 0.0000 | |
| 436 | S | A | 0.0000 | |
| 437 | C | A | 0.0000 | |
| 438 | Y | A | 0.0000 | |
| 439 | S | A | -0.5645 | |
| 440 | T | A | -0.1209 | |
| 441 | L | A | 0.2139 | |
| 442 | S | A | -0.4848 | |
| 443 | C | A | 0.0000 | |
| 444 | K | A | -2.8472 | |
| 445 | E | A | -3.0786 | |
| 446 | K | A | -2.4769 | |
| 447 | A | A | -1.7321 | |
| 448 | D | A | -2.3152 | |
| 449 | V | A | 0.0000 | |
| 450 | K | A | -2.8321 | |
| 451 | D | A | -3.0217 | |
| 452 | T | A | 0.0000 | |
| 453 | D | A | -1.7353 | |
| 454 | A | A | -1.0521 | |
| 455 | V | A | 0.0000 | |
| 456 | D | A | -2.1766 | |
| 457 | V | A | 0.0000 | |
| 458 | C | A | -0.6571 | |
| 459 | I | A | -0.1879 | |
| 460 | A | A | -0.6618 | |
| 461 | D | A | -1.9688 | |
| 462 | G | A | -1.2072 | |
| 463 | V | A | 0.0000 | |
| 464 | C | A | -0.9653 | |
| 465 | I | A | 0.0000 | |
| 466 | D | A | -2.4574 | |
| 467 | A | A | 0.0000 | |
| 468 | F | A | 0.5190 | |
| 469 | L | A | -0.3168 | |
| 470 | K | A | -0.8900 | |
| 471 | P | A | -0.5303 | |
| 472 | P | A | -0.4542 | |
| 473 | M | A | -0.4559 | |
| 474 | E | A | -2.2782 | |
| 475 | T | A | -2.1420 | |
| 476 | E | A | -3.4077 | |
| 477 | E | A | -3.1778 | |
| 478 | P | A | -1.3914 | |
| 479 | Q | A | -0.4070 | |
| 480 | I | A | 2.2408 | |
| 481 | F | A | 2.8248 | |
| 482 | Y | A | 2.0504 | |
| 483 | N | A | 0.1259 | |
| 484 | A | A | -0.0966 | |
| 485 | S | A | -0.5368 | |
| 486 | P | A | -0.4081 | |
| 487 | S | A | -0.0967 | |
| 488 | T | A | 0.4652 | |
| 489 | L | A | 1.4384 | |
| 490 | S | A | 0.6692 | |
| 491 | A | A | 0.8556 | |
| 492 | T | A | 1.7885 | |
| 493 | M | A | 2.9311 | |
| 494 | F | A | 4.0577 | |
| 495 | I | A | 4.5226 | |
| 496 | V | A | 4.5018 | |
| 497 | S | A | 3.7695 | |
| 498 | I | A | 5.0600 | |
| 499 | L | A | 5.0176 | |
| 500 | F | A | 5.0638 | |
| 501 | L | A | 4.7353 | |
| 502 | I | A | 5.0164 | |
| 503 | I | A | 4.2728 | |
| 504 | S | A | 2.3654 | |
| 505 | S | A | 1.7980 | |
| 506 | V | A | 2.5553 | |
| 507 | A | A | 1.3640 | |
| 508 | S | A | 1.0158 | |
| 509 | L | A | 1.7459 |