| Chain sequence(s) |
A: MARSFGARGAVVLAILFFGCLYASIATEEATKLGTVIGIDLGTTYSCVGVYKNGHVEIIANDQGNRITPSWVAFTDSERLIGEAAKNQAAVNPERTIFDVKRLIGRKFNDKEVQKDMKLVPYKIVNKDGKPYIQVKIKDGETKIFSPEEISAMILTKMKETAEAYLGKKIKDAVVTVPAYFNDAQRQATKDAGVIAGLNVARVINEPTAAAIAYGLDKKGGEKNILVFDLGGGTFDVSVLTIDNGVFEVLSTNGDTHLGGEDFDQRIMEYFIKLIKKKHGKDISKDNRALGKLRRECERAKRALSSQHQVRVEIESLFDGTDFSEPLTRARFEELNNDLFRKTMGPVKKAMEDAGLQKSQIDEIVLVGGSTRIPRVQQLLKDYFEGKEPNKGVNPDEAVAYGAAVQGGILSGEGGDETKDILLLDVAPLTLGIETVGGVMTKLIPRNTVIPTKKSQVFTT
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| 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] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:13:05)
[INFO] Main: Simulation completed successfully. (00:13:09)
|
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 | 0.5930 | |
| 2 | A | A | -0.1483 | |
| 3 | R | A | -1.2159 | |
| 4 | S | A | -0.1737 | |
| 5 | F | A | 0.8175 | |
| 6 | G | A | -0.4528 | |
| 7 | A | A | -0.5175 | |
| 8 | R | A | -1.2456 | |
| 9 | G | A | -0.2118 | |
| 10 | A | A | 0.6815 | |
| 11 | V | A | 1.7811 | |
| 12 | V | A | 3.0813 | |
| 13 | L | A | 3.8687 | |
| 14 | A | A | 3.8165 | |
| 15 | I | A | 5.0767 | |
| 16 | L | A | 5.0400 | |
| 17 | F | A | 5.1721 | |
| 18 | F | A | 4.6334 | |
| 19 | G | A | 3.3253 | |
| 20 | C | A | 3.3891 | |
| 21 | L | A | 3.5872 | |
| 22 | Y | A | 3.1059 | |
| 23 | A | A | 1.8908 | |
| 24 | S | A | 1.6277 | |
| 25 | I | A | 2.3258 | |
| 26 | A | A | 0.3709 | |
| 27 | T | A | -0.8765 | |
| 28 | E | A | -2.4097 | |
| 29 | E | A | -3.0002 | |
| 30 | A | A | -1.9121 | |
| 31 | T | A | -1.7181 | |
| 32 | K | A | -1.9514 | |
| 33 | L | A | -1.0856 | |
| 34 | G | A | -1.2657 | |
| 35 | T | A | 0.0000 | |
| 36 | V | A | 0.0000 | |
| 37 | I | A | 0.0000 | |
| 38 | G | A | 0.0000 | |
| 39 | I | A | 0.0000 | |
| 40 | D | A | -0.2004 | |
| 41 | L | A | 0.0000 | |
| 42 | G | A | -0.0830 | |
| 43 | T | A | 0.0000 | |
| 44 | T | A | 0.0588 | |
| 45 | Y | A | 0.0313 | |
| 46 | S | A | 0.0000 | |
| 47 | C | A | 0.0000 | |
| 48 | V | A | 0.0000 | |
| 49 | G | A | 0.0000 | |
| 50 | V | A | 0.0000 | |
| 51 | Y | A | 0.0000 | |
| 52 | K | A | -2.2393 | |
| 53 | N | A | -2.4602 | |
| 54 | G | A | -2.6246 | |
| 55 | H | A | -2.2679 | |
| 56 | V | A | 0.0000 | |
| 57 | E | A | -1.7423 | |
| 58 | I | A | 0.0000 | |
| 59 | I | A | 0.0000 | |
| 60 | A | A | -1.4457 | |
| 61 | N | A | 0.0000 | |
| 62 | D | A | -2.8541 | |
| 63 | Q | A | -2.5950 | |
| 64 | G | A | -2.0643 | |
| 65 | N | A | -1.9362 | |
| 66 | R | A | -1.9378 | |
| 67 | I | A | -0.7501 | |
| 68 | T | A | 0.0000 | |
| 69 | P | A | 0.0000 | |
| 70 | S | A | 0.0000 | |
| 71 | W | A | 0.0000 | |
| 72 | V | A | 0.0000 | |
| 73 | A | A | 0.0000 | |
| 74 | F | A | 0.0000 | |
| 75 | T | A | -2.5385 | |
| 76 | D | A | -3.8201 | |
| 77 | S | A | -2.6049 | |
| 78 | E | A | -2.8403 | |
| 79 | R | A | -2.4697 | |
| 80 | L | A | -0.9235 | |
| 81 | I | A | -0.1166 | |
| 82 | G | A | 0.0000 | |
| 83 | E | A | -1.0057 | |
| 84 | A | A | -0.7953 | |
| 85 | A | A | 0.0000 | |
| 86 | K | A | -1.0997 | |
| 87 | N | A | -1.4374 | |
| 88 | Q | A | -0.4030 | |
| 89 | A | A | -0.9811 | |
| 90 | A | A | -0.7808 | |
| 91 | V | A | 0.5690 | |
| 92 | N | A | -0.5528 | |
| 93 | P | A | -1.2869 | |
| 94 | E | A | -2.6446 | |
| 95 | R | A | -1.6984 | |
| 96 | T | A | 0.0000 | |
| 97 | I | A | 0.0000 | |
| 98 | F | A | 0.0000 | |
| 99 | D | A | 0.0000 | |
| 100 | V | A | 0.0000 | |
| 101 | K | A | 0.0000 | |
| 102 | R | A | 0.0000 | |
| 103 | L | A | 0.0000 | |
| 104 | I | A | 0.0000 | |
| 105 | G | A | -1.4076 | |
| 106 | R | A | -1.6563 | |
| 107 | K | A | -3.4477 | |
| 108 | F | A | -2.8813 | |
| 109 | N | A | -2.8327 | |
| 110 | D | A | -2.7898 | |
| 111 | K | A | -3.0821 | |
| 112 | E | A | -2.4469 | |
| 113 | V | A | 0.0000 | |
| 114 | Q | A | -2.5638 | |
| 115 | K | A | -2.7871 | |
| 116 | D | A | 0.0000 | |
| 117 | M | A | -1.3669 | |
| 118 | K | A | -2.1098 | |
| 119 | L | A | -0.7127 | |
| 120 | V | A | -0.8478 | |
| 121 | P | A | -1.8009 | |
| 122 | Y | A | 0.0000 | |
| 123 | K | A | -2.1345 | |
| 124 | I | A | 0.0000 | |
| 125 | V | A | -1.1834 | |
| 126 | N | A | -2.7418 | |
| 127 | K | A | -2.7659 | |
| 128 | D | A | -3.1406 | |
| 129 | G | A | -2.9824 | |
| 130 | K | A | -3.2472 | |
| 131 | P | A | 0.0000 | |
| 132 | Y | A | -1.2700 | |
| 133 | I | A | 0.0000 | |
| 134 | Q | A | -1.2771 | |
| 135 | V | A | 0.0000 | |
| 136 | K | A | -3.1340 | |
| 137 | I | A | -3.1704 | |
| 138 | K | A | -4.1779 | |
| 139 | D | A | -3.7541 | |
| 140 | G | A | -3.3348 | |
| 141 | E | A | -3.6157 | |
| 142 | T | A | -2.1825 | |
| 143 | K | A | -1.4866 | |
| 144 | I | A | -0.2132 | |
| 145 | F | A | 0.0000 | |
| 146 | S | A | -0.4199 | |
| 147 | P | A | 0.0000 | |
| 148 | E | A | -0.4907 | |
| 149 | E | A | -0.1606 | |
| 150 | I | A | 0.0000 | |
| 151 | S | A | 0.0000 | |
| 152 | A | A | 0.0000 | |
| 153 | M | A | 0.0000 | |
| 154 | I | A | 0.0000 | |
| 155 | L | A | 0.0000 | |
| 156 | T | A | -0.4848 | |
| 157 | K | A | -0.9913 | |
| 158 | M | A | 0.0000 | |
| 159 | K | A | -1.7018 | |
| 160 | E | A | -2.5059 | |
| 161 | T | A | 0.0000 | |
| 162 | A | A | 0.0000 | |
| 163 | E | A | -1.7866 | |
| 164 | A | A | -0.9280 | |
| 165 | Y | A | 0.1580 | |
| 166 | L | A | -0.4440 | |
| 167 | G | A | -0.9862 | |
| 168 | K | A | -2.3106 | |
| 169 | K | A | -3.0580 | |
| 170 | I | A | 0.0000 | |
| 171 | K | A | -2.3638 | |
| 172 | D | A | 0.0000 | |
| 173 | A | A | 0.0000 | |
| 174 | V | A | 0.0000 | |
| 175 | V | A | 0.0000 | |
| 176 | T | A | 0.0000 | |
| 177 | V | A | 0.0000 | |
| 178 | P | A | 0.0000 | |
| 179 | A | A | 0.0000 | |
| 180 | Y | A | -0.0956 | |
| 181 | F | A | 0.0000 | |
| 182 | N | A | -1.4225 | |
| 183 | D | A | -2.3277 | |
| 184 | A | A | -1.8340 | |
| 185 | Q | A | 0.0000 | |
| 186 | R | A | -1.8978 | |
| 187 | Q | A | -2.3789 | |
| 188 | A | A | 0.0000 | |
| 189 | T | A | 0.0000 | |
| 190 | K | A | -1.0058 | |
| 191 | D | A | -0.4743 | |
| 192 | A | A | 0.0000 | |
| 193 | G | A | 0.0000 | |
| 194 | V | A | 1.7765 | |
| 195 | I | A | 2.2246 | |
| 196 | A | A | 0.7597 | |
| 197 | G | A | 0.3737 | |
| 198 | L | A | 0.0000 | |
| 199 | N | A | -0.7634 | |
| 200 | V | A | 0.0000 | |
| 201 | A | A | -0.6657 | |
| 202 | R | A | -0.8544 | |
| 203 | V | A | -0.5252 | |
| 204 | I | A | 0.0000 | |
| 205 | N | A | 0.0000 | |
| 206 | E | A | 0.0000 | |
| 207 | P | A | 0.0000 | |
| 208 | T | A | 0.0000 | |
| 209 | A | A | 0.0000 | |
| 210 | A | A | 0.0000 | |
| 211 | A | A | 0.0000 | |
| 212 | I | A | 0.0000 | |
| 213 | A | A | -0.3281 | |
| 214 | Y | A | 0.0000 | |
| 215 | G | A | 0.0000 | |
| 216 | L | A | -1.5181 | |
| 217 | D | A | -2.7764 | |
| 218 | K | A | -3.1509 | |
| 219 | K | A | -3.5337 | |
| 220 | G | A | -2.6779 | |
| 221 | G | A | -2.6409 | |
| 222 | E | A | -3.2108 | |
| 223 | K | A | -2.4894 | |
| 224 | N | A | -1.5679 | |
| 225 | I | A | 0.0000 | |
| 226 | L | A | 0.0000 | |
| 227 | V | A | 0.0000 | |
| 228 | F | A | 0.0000 | |
| 229 | D | A | 0.0000 | |
| 230 | L | A | 0.0000 | |
| 231 | G | A | -0.2965 | |
| 232 | G | A | -0.2663 | |
| 233 | G | A | 0.0000 | |
| 234 | T | A | 0.0000 | |
| 235 | F | A | 0.0000 | |
| 236 | D | A | 0.0000 | |
| 237 | V | A | 0.0000 | |
| 238 | S | A | 0.0000 | |
| 239 | V | A | 0.0000 | |
| 240 | L | A | 0.0000 | |
| 241 | T | A | -1.0079 | |
| 242 | I | A | 0.0000 | |
| 243 | D | A | -2.6944 | |
| 244 | N | A | -2.7251 | |
| 245 | G | A | -2.0923 | |
| 246 | V | A | -0.3557 | |
| 247 | F | A | 0.0000 | |
| 248 | E | A | -0.1836 | |
| 249 | V | A | 0.0000 | |
| 250 | L | A | 0.1645 | |
| 251 | S | A | 0.0000 | |
| 252 | T | A | 0.0000 | |
| 253 | N | A | -0.7888 | |
| 254 | G | A | -0.3827 | |
| 255 | D | A | -0.5234 | |
| 256 | T | A | -0.2924 | |
| 257 | H | A | -0.4314 | |
| 258 | L | A | 0.0000 | |
| 259 | G | A | 0.0000 | |
| 260 | G | A | 0.0000 | |
| 261 | E | A | -0.5739 | |
| 262 | D | A | -0.5174 | |
| 263 | F | A | 0.0000 | |
| 264 | D | A | 0.0000 | |
| 265 | Q | A | -0.6661 | |
| 266 | R | A | -0.6937 | |
| 267 | I | A | 0.0000 | |
| 268 | M | A | 0.0000 | |
| 269 | E | A | -1.0716 | |
| 270 | Y | A | -0.6720 | |
| 271 | F | A | 0.0000 | |
| 272 | I | A | -1.3967 | |
| 273 | K | A | -2.8181 | |
| 274 | L | A | -2.2532 | |
| 275 | I | A | 0.0000 | |
| 276 | K | A | -3.4891 | |
| 277 | K | A | -3.7856 | |
| 278 | K | A | -3.4741 | |
| 279 | H | A | -2.6517 | |
| 280 | G | A | -2.6592 | |
| 281 | K | A | -2.5813 | |
| 282 | D | A | -2.3032 | |
| 283 | I | A | 0.0000 | |
| 284 | S | A | -1.7470 | |
| 285 | K | A | -2.5130 | |
| 286 | D | A | -2.3709 | |
| 287 | N | A | -2.2162 | |
| 288 | R | A | -2.3665 | |
| 289 | A | A | 0.0000 | |
| 290 | L | A | -1.3111 | |
| 291 | G | A | -1.3314 | |
| 292 | K | A | -1.5813 | |
| 293 | L | A | 0.0000 | |
| 294 | R | A | -1.3582 | |
| 295 | R | A | -1.9342 | |
| 296 | E | A | 0.0000 | |
| 297 | C | A | 0.0000 | |
| 298 | E | A | -1.8963 | |
| 299 | R | A | -2.4524 | |
| 300 | A | A | 0.0000 | |
| 301 | K | A | -1.9085 | |
| 302 | R | A | -2.8567 | |
| 303 | A | A | -2.2258 | |
| 304 | L | A | 0.0000 | |
| 305 | S | A | -1.8542 | |
| 306 | S | A | -1.6572 | |
| 307 | Q | A | -2.3163 | |
| 308 | H | A | -2.2876 | |
| 309 | Q | A | -2.5437 | |
| 310 | V | A | 0.0000 | |
| 311 | R | A | -2.3952 | |
| 312 | V | A | 0.0000 | |
| 313 | E | A | -3.1599 | |
| 314 | I | A | 0.0000 | |
| 315 | E | A | -3.1820 | |
| 316 | S | A | -2.5922 | |
| 317 | L | A | 0.0000 | |
| 318 | F | A | 0.0000 | |
| 319 | D | A | -2.3606 | |
| 320 | G | A | -2.1322 | |
| 321 | T | A | -2.1916 | |
| 322 | D | A | -3.2888 | |
| 323 | F | A | 0.0000 | |
| 324 | S | A | -2.0406 | |
| 325 | E | A | -1.2326 | |
| 326 | P | A | -1.4934 | |
| 327 | L | A | 0.0000 | |
| 328 | T | A | -1.8217 | |
| 329 | R | A | -1.8571 | |
| 330 | A | A | -1.3806 | |
| 331 | R | A | -1.6674 | |
| 332 | F | A | 0.0000 | |
| 333 | E | A | -1.8527 | |
| 334 | E | A | -2.5209 | |
| 335 | L | A | -1.4732 | |
| 336 | N | A | 0.0000 | |
| 337 | N | A | -2.7946 | |
| 338 | D | A | -3.1428 | |
| 339 | L | A | -1.9886 | |
| 340 | F | A | 0.0000 | |
| 341 | R | A | -3.2347 | |
| 342 | K | A | -2.8099 | |
| 343 | T | A | 0.0000 | |
| 344 | M | A | 0.0000 | |
| 345 | G | A | -1.6022 | |
| 346 | P | A | -1.4294 | |
| 347 | V | A | 0.0000 | |
| 348 | K | A | -2.4071 | |
| 349 | K | A | -2.8428 | |
| 350 | A | A | 0.0000 | |
| 351 | M | A | 0.0000 | |
| 352 | E | A | -3.3186 | |
| 353 | D | A | -2.4076 | |
| 354 | A | A | -1.4492 | |
| 355 | G | A | -1.6427 | |
| 356 | L | A | -1.5345 | |
| 357 | Q | A | -2.1827 | |
| 358 | K | A | -2.4710 | |
| 359 | S | A | -1.9241 | |
| 360 | Q | A | -2.0285 | |
| 361 | I | A | 0.0000 | |
| 362 | D | A | -2.1617 | |
| 363 | E | A | -1.5622 | |
| 364 | I | A | 0.0000 | |
| 365 | V | A | 0.0000 | |
| 366 | L | A | 0.0000 | |
| 367 | V | A | 0.0000 | |
| 368 | G | A | -0.7608 | |
| 369 | G | A | -1.1937 | |
| 370 | S | A | 0.0000 | |
| 371 | T | A | 0.0000 | |
| 372 | R | A | -1.8306 | |
| 373 | I | A | 0.0000 | |
| 374 | P | A | -1.0760 | |
| 375 | R | A | -1.5821 | |
| 376 | V | A | 0.0000 | |
| 377 | Q | A | -1.5587 | |
| 378 | Q | A | -1.9119 | |
| 379 | L | A | -1.4464 | |
| 380 | L | A | 0.0000 | |
| 381 | K | A | -2.9127 | |
| 382 | D | A | -3.1040 | |
| 383 | Y | A | -1.8531 | |
| 384 | F | A | 0.0000 | |
| 385 | E | A | -3.2331 | |
| 386 | G | A | -2.8213 | |
| 387 | K | A | -2.9885 | |
| 388 | E | A | -3.2134 | |
| 389 | P | A | 0.0000 | |
| 390 | N | A | -1.8850 | |
| 391 | K | A | -2.4061 | |
| 392 | G | A | -1.4683 | |
| 393 | V | A | -1.1226 | |
| 394 | N | A | -1.5200 | |
| 395 | P | A | -1.3535 | |
| 396 | D | A | -1.1632 | |
| 397 | E | A | -0.9184 | |
| 398 | A | A | 0.0000 | |
| 399 | V | A | 0.0000 | |
| 400 | A | A | 0.0000 | |
| 401 | Y | A | -0.3330 | |
| 402 | G | A | 0.0000 | |
| 403 | A | A | 0.0000 | |
| 404 | A | A | 0.0000 | |
| 405 | V | A | 0.0000 | |
| 406 | Q | A | 0.0000 | |
| 407 | G | A | 0.0000 | |
| 408 | G | A | 0.0000 | |
| 409 | I | A | -0.3127 | |
| 410 | L | A | 0.3248 | |
| 411 | S | A | 0.0000 | |
| 412 | G | A | -1.2736 | |
| 413 | E | A | -1.7037 | |
| 414 | G | A | 0.0000 | |
| 415 | G | A | -2.9121 | |
| 416 | D | A | -3.7047 | |
| 417 | E | A | -3.5343 | |
| 418 | T | A | 0.0000 | |
| 419 | K | A | -3.4097 | |
| 420 | D | A | -2.8874 | |
| 421 | I | A | -1.0564 | |
| 422 | L | A | 0.3899 | |
| 423 | L | A | 0.7368 | |
| 424 | L | A | 0.9590 | |
| 425 | D | A | 0.0000 | |
| 426 | V | A | 0.0000 | |
| 427 | A | A | 0.0000 | |
| 428 | P | A | -0.1523 | |
| 429 | L | A | -0.2565 | |
| 430 | T | A | -0.3591 | |
| 431 | L | A | 0.2993 | |
| 432 | G | A | 0.1393 | |
| 433 | I | A | 0.2677 | |
| 434 | E | A | -0.5918 | |
| 435 | T | A | 0.8518 | |
| 436 | V | A | 1.5481 | |
| 437 | G | A | 0.5492 | |
| 438 | G | A | 0.4620 | |
| 439 | V | A | 1.5882 | |
| 440 | M | A | 0.9636 | |
| 441 | T | A | 0.1535 | |
| 442 | K | A | -1.0963 | |
| 443 | L | A | -0.8384 | |
| 444 | I | A | -0.5711 | |
| 445 | P | A | -0.6130 | |
| 446 | R | A | -1.1894 | |
| 447 | N | A | -0.4253 | |
| 448 | T | A | 0.4094 | |
| 449 | V | A | 1.3327 | |
| 450 | I | A | 0.9675 | |
| 451 | P | A | 0.1620 | |
| 452 | T | A | -0.6820 | |
| 453 | K | A | -2.2861 | |
| 454 | K | A | -2.4028 | |
| 455 | S | A | -1.2380 | |
| 456 | Q | A | -0.4195 | |
| 457 | V | A | 1.6386 | |
| 458 | F | A | 1.5446 | |
| 459 | T | A | 0.7912 | |
| 460 | T | A | 0.3556 |
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