| Chain sequence(s) |
A: VRRILIKGGKVVNDDCTHEADVYIENGIIQQVGRELMIPGGAKVIDATGKLVIPGGIDTSTHFHQTFMNATCVDDFYHGTKAALVGGTTMIIGHVLPDKETSLVDAYEKCCRGLADPKVCCDYALHVGITWWAPKVKAEMETLVREKGVNSSFQMMFMTYKDLYMLRRDSSELYQQVLHHACCKDIGAIARVVHAENGELVAEGAKEALDLGITGPEGIEISRPEELEAEATHRVITIANRTHCPIYLVNVSSISAGDVIAAAKMQGKVVLAETTTAHATLTGLHYYHQDWSHAAAYVTVPPLRLDTNTSTYYLMSLLLANNDTLNIVASDHRPFTTKQKAMGKEDFTKIPHGVSSGVQDRMSVIWERGVVGGKMDENRFVAVTSSNAAKLLNLYPRKGRIIPGADADVVVWDPEEAATKTISASTQVQGGDFNLYENMRCHHGGVVPLLVTISRGRVVYENGVFMCAEGTGKFCPLRSFPDTVYKKLVQREKT
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] (00:00:03)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:03)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:03)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:03)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:03)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:07:37)
[INFO] Main: Simulation completed successfully. (00:07:40)
|
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 | |
| 8 | V | A | 0.5167 | |
| 9 | R | A | -0.4880 | |
| 10 | I | A | 0.0000 | |
| 11 | L | A | -0.2156 | |
| 12 | I | A | 0.0000 | |
| 13 | K | A | -2.0212 | |
| 14 | G | A | -2.4107 | |
| 15 | G | A | 0.0000 | |
| 16 | K | A | -2.3487 | |
| 17 | V | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | N | A | 0.0000 | |
| 20 | D | A | -1.6266 | |
| 21 | D | A | -1.8936 | |
| 22 | C | A | -0.7292 | |
| 23 | T | A | -1.2191 | |
| 24 | H | A | -2.1070 | |
| 25 | E | A | -3.1815 | |
| 26 | A | A | 0.0000 | |
| 27 | D | A | -2.2809 | |
| 28 | V | A | 0.0000 | |
| 29 | Y | A | 0.0000 | |
| 30 | I | A | 0.0000 | |
| 31 | E | A | -1.1390 | |
| 32 | N | A | -1.3850 | |
| 33 | G | A | 0.0000 | |
| 34 | I | A | -0.8015 | |
| 35 | I | A | 0.0000 | |
| 36 | Q | A | -1.0364 | |
| 37 | Q | A | -0.5623 | |
| 38 | V | A | -0.8350 | |
| 39 | G | A | -1.8112 | |
| 40 | R | A | -3.5020 | |
| 41 | E | A | -2.4689 | |
| 42 | L | A | -0.5753 | |
| 43 | M | A | 0.8839 | |
| 44 | I | A | 0.4747 | |
| 45 | P | A | -0.1295 | |
| 46 | G | A | -0.7322 | |
| 47 | G | A | -0.5930 | |
| 48 | A | A | -0.2826 | |
| 49 | K | A | -0.3948 | |
| 50 | V | A | 0.3757 | |
| 51 | I | A | 0.0000 | |
| 52 | D | A | -1.9722 | |
| 53 | A | A | 0.0000 | |
| 54 | T | A | -1.5253 | |
| 55 | G | A | -1.2732 | |
| 56 | K | A | -1.2971 | |
| 57 | L | A | 0.0000 | |
| 58 | V | A | 0.0000 | |
| 59 | I | A | 0.0000 | |
| 60 | P | A | 0.0000 | |
| 61 | G | A | 0.0000 | |
| 62 | G | A | 0.0000 | |
| 63 | I | A | 0.0000 | |
| 64 | D | A | 0.0000 | |
| 65 | T | A | 0.0000 | |
| 66 | S | A | 0.0000 | |
| 67 | T | A | 0.0000 | |
| 68 | H | A | 0.0000 | |
| 69 | F | A | 0.0000 | |
| 70 | H | A | -0.4488 | |
| 71 | Q | A | -0.4118 | |
| 72 | T | A | -0.4062 | |
| 73 | F | A | 0.0000 | |
| 74 | M | A | -0.6754 | |
| 75 | N | A | -1.3648 | |
| 76 | A | A | 0.0000 | |
| 77 | T | A | -0.3561 | |
| 78 | C | A | 0.0000 | |
| 79 | V | A | 0.1391 | |
| 80 | D | A | 0.0000 | |
| 81 | D | A | -0.5592 | |
| 82 | F | A | 0.0000 | |
| 83 | Y | A | -1.0422 | |
| 84 | H | A | -0.7789 | |
| 85 | G | A | 0.0000 | |
| 86 | T | A | 0.0000 | |
| 87 | K | A | -0.3167 | |
| 88 | A | A | 0.0000 | |
| 89 | A | A | 0.0000 | |
| 90 | L | A | 0.0000 | |
| 91 | V | A | 0.6044 | |
| 92 | G | A | 0.0000 | |
| 93 | G | A | 0.0000 | |
| 94 | T | A | 0.0000 | |
| 95 | T | A | 0.0000 | |
| 96 | M | A | 0.0000 | |
| 97 | I | A | 0.0000 | |
| 98 | I | A | 0.0000 | |
| 99 | G | A | 0.0000 | |
| 100 | H | A | -0.1248 | |
| 101 | V | A | 0.0000 | |
| 102 | L | A | -0.4030 | |
| 103 | P | A | 0.0000 | |
| 104 | D | A | -2.7662 | |
| 105 | K | A | -3.1921 | |
| 106 | E | A | -3.0827 | |
| 107 | T | A | -2.3370 | |
| 108 | S | A | -1.7445 | |
| 109 | L | A | 0.0000 | |
| 110 | V | A | -1.4185 | |
| 111 | D | A | -2.7915 | |
| 112 | A | A | -2.1866 | |
| 113 | Y | A | 0.0000 | |
| 114 | E | A | -3.4043 | |
| 115 | K | A | -3.1551 | |
| 116 | C | A | 0.0000 | |
| 117 | R | A | -2.1482 | |
| 118 | G | A | -1.8419 | |
| 119 | L | A | -0.9912 | |
| 120 | A | A | 0.0000 | |
| 121 | D | A | -1.9388 | |
| 122 | P | A | -1.6830 | |
| 123 | K | A | -1.9673 | |
| 124 | V | A | 0.0000 | |
| 125 | C | A | 0.0000 | |
| 126 | C | A | 0.0000 | |
| 127 | D | A | 0.0000 | |
| 128 | Y | A | 0.0000 | |
| 129 | A | A | 0.0000 | |
| 130 | L | A | 0.0000 | |
| 131 | H | A | 0.0000 | |
| 132 | V | A | 0.0000 | |
| 133 | G | A | 0.0000 | |
| 134 | I | A | 0.0000 | |
| 135 | T | A | 0.0000 | |
| 136 | W | A | 0.0000 | |
| 137 | W | A | -1.3476 | |
| 138 | A | A | -1.2382 | |
| 139 | P | A | -1.4993 | |
| 140 | K | A | -2.3649 | |
| 141 | V | A | 0.0000 | |
| 142 | K | A | -1.9912 | |
| 143 | A | A | -1.4946 | |
| 144 | E | A | -1.6207 | |
| 145 | M | A | 0.0000 | |
| 146 | E | A | -2.2168 | |
| 147 | T | A | -1.8884 | |
| 148 | L | A | 0.0000 | |
| 149 | V | A | -2.0244 | |
| 150 | R | A | -3.2834 | |
| 151 | E | A | -3.0310 | |
| 152 | K | A | -2.2082 | |
| 153 | G | A | -1.5612 | |
| 154 | V | A | 0.0000 | |
| 155 | N | A | 0.0000 | |
| 156 | S | A | 0.0000 | |
| 157 | F | A | 0.0000 | |
| 158 | Q | A | 0.0000 | |
| 159 | M | A | 0.0000 | |
| 160 | F | A | -0.0786 | |
| 161 | M | A | 0.0000 | |
| 162 | T | A | 0.0000 | |
| 163 | Y | A | -0.8750 | |
| 164 | K | A | -2.2454 | |
| 165 | D | A | -2.4412 | |
| 166 | L | A | -1.5747 | |
| 167 | Y | A | 0.0000 | |
| 168 | M | A | -1.4625 | |
| 169 | L | A | 0.0000 | |
| 170 | R | A | -2.7445 | |
| 171 | D | A | -2.4026 | |
| 172 | S | A | -1.6353 | |
| 173 | E | A | -1.6186 | |
| 174 | L | A | 0.0000 | |
| 175 | Y | A | -1.4584 | |
| 176 | Q | A | -1.6747 | |
| 177 | V | A | 0.0000 | |
| 178 | L | A | 0.0000 | |
| 179 | H | A | -1.7840 | |
| 180 | A | A | 0.0000 | |
| 181 | C | A | 0.0000 | |
| 182 | K | A | -1.0199 | |
| 183 | D | A | -1.9853 | |
| 184 | I | A | -1.0391 | |
| 185 | G | A | 0.0000 | |
| 186 | A | A | 0.0000 | |
| 187 | I | A | 0.0000 | |
| 188 | A | A | 0.0000 | |
| 189 | R | A | 0.0000 | |
| 190 | V | A | 0.0000 | |
| 191 | H | A | 0.0000 | |
| 192 | A | A | 0.0000 | |
| 193 | E | A | 0.0000 | |
| 194 | N | A | -0.8236 | |
| 195 | G | A | 0.0000 | |
| 196 | E | A | -1.6550 | |
| 197 | L | A | -0.4636 | |
| 198 | V | A | -0.9055 | |
| 199 | A | A | -1.9968 | |
| 200 | E | A | -2.7722 | |
| 201 | G | A | -1.8769 | |
| 202 | A | A | -1.5920 | |
| 203 | K | A | -3.1639 | |
| 204 | E | A | -3.1272 | |
| 205 | A | A | 0.0000 | |
| 206 | L | A | -1.1715 | |
| 207 | D | A | -1.9973 | |
| 208 | L | A | -0.0056 | |
| 209 | G | A | -0.2643 | |
| 210 | I | A | -0.1543 | |
| 211 | T | A | -0.8493 | |
| 212 | G | A | -0.7945 | |
| 213 | P | A | 0.0000 | |
| 214 | E | A | 0.2544 | |
| 215 | G | A | 0.0000 | |
| 216 | I | A | 0.0000 | |
| 217 | E | A | 0.3072 | |
| 218 | I | A | 0.8907 | |
| 219 | S | A | 0.0000 | |
| 220 | R | A | 0.0000 | |
| 221 | P | A | -0.3577 | |
| 222 | E | A | -1.2478 | |
| 223 | E | A | -2.2520 | |
| 224 | L | A | 0.0000 | |
| 225 | E | A | 0.0000 | |
| 226 | A | A | -1.6782 | |
| 227 | E | A | -1.8507 | |
| 228 | A | A | 0.0000 | |
| 229 | T | A | 0.0000 | |
| 230 | H | A | -1.5580 | |
| 231 | R | A | -1.2664 | |
| 232 | V | A | 0.0000 | |
| 233 | I | A | 0.0000 | |
| 234 | T | A | -1.2549 | |
| 235 | I | A | 0.0000 | |
| 236 | A | A | 0.0000 | |
| 237 | N | A | -1.9750 | |
| 238 | R | A | -2.4211 | |
| 239 | T | A | 0.0000 | |
| 240 | H | A | -2.1348 | |
| 241 | C | A | 0.0000 | |
| 242 | P | A | 0.0000 | |
| 243 | I | A | 0.0000 | |
| 244 | Y | A | 0.0000 | |
| 245 | L | A | 0.0000 | |
| 246 | V | A | 0.0000 | |
| 247 | N | A | 0.0000 | |
| 248 | V | A | 0.0000 | |
| 249 | S | A | 0.0000 | |
| 250 | S | A | 0.0000 | |
| 251 | I | A | -0.5720 | |
| 252 | S | A | -0.9716 | |
| 253 | A | A | 0.0000 | |
| 254 | G | A | 0.0000 | |
| 255 | D | A | -1.5835 | |
| 256 | V | A | -0.9024 | |
| 257 | I | A | 0.0000 | |
| 258 | A | A | -0.6639 | |
| 259 | A | A | -0.6153 | |
| 260 | A | A | 0.0000 | |
| 261 | K | A | -0.6466 | |
| 262 | M | A | 0.1069 | |
| 263 | Q | A | -1.1348 | |
| 264 | G | A | -1.0481 | |
| 265 | K | A | -1.1111 | |
| 266 | V | A | -0.5393 | |
| 267 | V | A | 0.0000 | |
| 268 | L | A | 0.0515 | |
| 269 | A | A | 0.0000 | |
| 270 | E | A | 0.0000 | |
| 271 | T | A | 0.0000 | |
| 272 | T | A | 0.0000 | |
| 273 | T | A | 0.0000 | |
| 274 | A | A | 0.0000 | |
| 275 | H | A | 0.0000 | |
| 276 | A | A | 0.0000 | |
| 277 | T | A | 0.0000 | |
| 278 | L | A | 0.4001 | |
| 279 | T | A | 0.2408 | |
| 280 | G | A | 0.0000 | |
| 281 | L | A | 1.5625 | |
| 282 | H | A | 0.3963 | |
| 283 | Y | A | 0.0000 | |
| 284 | Y | A | 0.4638 | |
| 285 | H | A | -0.8477 | |
| 286 | Q | A | -1.8073 | |
| 287 | D | A | -1.7737 | |
| 288 | W | A | -1.0840 | |
| 289 | S | A | -1.1991 | |
| 290 | H | A | -0.8314 | |
| 291 | A | A | 0.0000 | |
| 292 | A | A | 0.0000 | |
| 293 | A | A | -0.2006 | |
| 294 | Y | A | 0.0000 | |
| 295 | V | A | 0.0000 | |
| 296 | T | A | 0.0000 | |
| 297 | V | A | 0.0000 | |
| 298 | P | A | 0.0000 | |
| 299 | P | A | 0.0000 | |
| 300 | L | A | 0.0000 | |
| 301 | R | A | 0.0000 | |
| 302 | L | A | 0.3674 | |
| 303 | D | A | -1.0668 | |
| 304 | T | A | -0.8352 | |
| 305 | N | A | -1.4991 | |
| 306 | T | A | 0.0000 | |
| 307 | S | A | 0.0000 | |
| 308 | T | A | -0.5911 | |
| 309 | Y | A | -0.1201 | |
| 310 | L | A | 0.0000 | |
| 311 | M | A | 0.0000 | |
| 312 | S | A | -0.8781 | |
| 313 | L | A | 0.0000 | |
| 314 | L | A | 0.0000 | |
| 315 | A | A | -1.5454 | |
| 316 | N | A | -1.9301 | |
| 317 | D | A | -1.5867 | |
| 318 | T | A | -1.0072 | |
| 319 | L | A | 0.0000 | |
| 320 | N | A | 0.0000 | |
| 321 | I | A | 0.0000 | |
| 322 | V | A | 0.0000 | |
| 323 | A | A | 0.0000 | |
| 324 | S | A | 0.0000 | |
| 325 | D | A | -0.2123 | |
| 326 | H | A | 0.0000 | |
| 327 | R | A | 0.0000 | |
| 328 | P | A | 0.0000 | |
| 329 | F | A | 0.0000 | |
| 330 | T | A | -0.9657 | |
| 331 | T | A | -1.2272 | |
| 332 | K | A | -2.0879 | |
| 333 | Q | A | -1.3385 | |
| 334 | K | A | 0.0000 | |
| 335 | A | A | -1.6139 | |
| 336 | M | A | -1.3871 | |
| 337 | G | A | 0.0000 | |
| 338 | K | A | -2.9990 | |
| 339 | E | A | -2.9277 | |
| 340 | D | A | -1.9969 | |
| 341 | F | A | 0.0000 | |
| 342 | T | A | -1.4197 | |
| 343 | K | A | -2.2758 | |
| 344 | I | A | 0.0000 | |
| 345 | P | A | 0.0000 | |
| 346 | H | A | 0.0000 | |
| 347 | G | A | 0.0000 | |
| 348 | V | A | 0.0000 | |
| 349 | S | A | 0.0000 | |
| 350 | G | A | 0.0000 | |
| 351 | V | A | 0.0000 | |
| 352 | Q | A | 0.0232 | |
| 353 | D | A | 0.0000 | |
| 354 | R | A | 0.0000 | |
| 355 | M | A | 0.0000 | |
| 356 | S | A | 0.0000 | |
| 357 | V | A | 0.0000 | |
| 358 | I | A | 0.0000 | |
| 359 | W | A | 0.0000 | |
| 360 | E | A | -0.6505 | |
| 361 | R | A | -0.8954 | |
| 362 | G | A | 0.0000 | |
| 363 | V | A | -0.7296 | |
| 364 | V | A | 0.2179 | |
| 365 | G | A | -0.6840 | |
| 366 | G | A | -1.2307 | |
| 367 | K | A | -1.8641 | |
| 368 | M | A | 0.0000 | |
| 369 | D | A | -2.2648 | |
| 370 | E | A | -1.4754 | |
| 371 | N | A | -1.5544 | |
| 372 | R | A | -1.7695 | |
| 373 | F | A | 0.0000 | |
| 374 | V | A | 0.0000 | |
| 375 | A | A | 0.0000 | |
| 376 | V | A | 0.0000 | |
| 377 | T | A | 0.0000 | |
| 378 | S | A | 0.0000 | |
| 379 | S | A | 0.0000 | |
| 380 | N | A | 0.0000 | |
| 381 | A | A | 0.0000 | |
| 382 | A | A | 0.0000 | |
| 383 | K | A | -1.0234 | |
| 384 | L | A | 0.0000 | |
| 385 | L | A | 0.0000 | |
| 386 | N | A | -1.4406 | |
| 387 | L | A | -0.9716 | |
| 388 | Y | A | -0.7174 | |
| 389 | P | A | -1.0387 | |
| 390 | R | A | -1.9036 | |
| 391 | K | A | 0.0000 | |
| 392 | G | A | 0.0000 | |
| 393 | R | A | -0.8838 | |
| 394 | I | A | 0.0000 | |
| 395 | I | A | -0.0711 | |
| 396 | P | A | -0.6470 | |
| 397 | G | A | -0.9397 | |
| 398 | A | A | 0.0000 | |
| 399 | D | A | 0.0000 | |
| 400 | A | A | 0.0000 | |
| 401 | D | A | 0.0000 | |
| 402 | V | A | 0.0000 | |
| 403 | V | A | 0.0000 | |
| 404 | V | A | 0.0000 | |
| 405 | W | A | 0.0000 | |
| 406 | D | A | -0.8010 | |
| 407 | P | A | -1.0198 | |
| 408 | E | A | -2.0736 | |
| 409 | A | A | -1.3722 | |
| 410 | T | A | -1.4866 | |
| 411 | K | A | -1.4612 | |
| 412 | T | A | -1.9002 | |
| 413 | I | A | 0.0000 | |
| 414 | S | A | -1.3501 | |
| 415 | A | A | -0.8289 | |
| 416 | S | A | -0.5144 | |
| 417 | T | A | -0.0415 | |
| 418 | Q | A | 0.0853 | |
| 419 | V | A | 0.6661 | |
| 420 | Q | A | 0.0000 | |
| 421 | G | A | -0.1411 | |
| 422 | G | A | -0.5209 | |
| 423 | D | A | -1.6019 | |
| 424 | F | A | -0.7187 | |
| 425 | N | A | 0.0000 | |
| 426 | L | A | 0.0000 | |
| 427 | Y | A | 0.0000 | |
| 428 | E | A | -2.4033 | |
| 429 | N | A | -2.5955 | |
| 430 | M | A | -2.0963 | |
| 431 | R | A | -2.6832 | |
| 432 | C | A | 0.0000 | |
| 433 | H | A | -1.3884 | |
| 434 | G | A | 0.0000 | |
| 435 | V | A | -0.2822 | |
| 436 | P | A | 0.0000 | |
| 437 | L | A | -0.0255 | |
| 438 | V | A | 0.0000 | |
| 439 | T | A | 0.0000 | |
| 440 | I | A | 0.0000 | |
| 441 | S | A | 0.0000 | |
| 442 | R | A | -1.0464 | |
| 443 | G | A | 0.0000 | |
| 444 | R | A | -1.1407 | |
| 445 | V | A | -0.2666 | |
| 446 | V | A | 0.0000 | |
| 447 | Y | A | 0.3084 | |
| 448 | E | A | -0.5872 | |
| 449 | N | A | -1.1952 | |
| 450 | G | A | -0.3006 | |
| 451 | V | A | 1.3123 | |
| 452 | F | A | 1.2975 | |
| 453 | M | A | 1.2735 | |
| 454 | C | A | 0.0945 | |
| 455 | A | A | -0.6748 | |
| 456 | E | A | -2.1737 | |
| 457 | G | A | -1.9442 | |
| 458 | T | A | -1.3287 | |
| 459 | G | A | 0.0000 | |
| 460 | K | A | -1.9936 | |
| 461 | F | A | -0.9439 | |
| 462 | C | A | 0.0000 | |
| 463 | P | A | -1.0438 | |
| 464 | L | A | 0.0000 | |
| 465 | R | A | -2.0786 | |
| 466 | S | A | -1.0545 | |
| 467 | F | A | -0.3882 | |
| 468 | P | A | 0.0000 | |
| 469 | D | A | -2.3233 | |
| 470 | T | A | -1.5469 | |
| 471 | V | A | 0.0000 | |
| 472 | Y | A | 0.0000 | |
| 473 | K | A | -2.8585 | |
| 474 | K | A | -2.9866 | |
| 475 | L | A | 0.0000 | |
| 476 | V | A | -1.7292 | |
| 477 | Q | A | -3.3812 | |
| 478 | R | A | -4.0338 | |
| 479 | E | A | -3.7292 | |
| 480 | K | A | -3.2634 | |
| 481 | T | A | -2.1550 |
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