| Chain sequence(s) |
A: MVAGMLGLREEKSEDQDLQGLKDKPLKFKKVKKDKKEEKEGKHEPVQPSAHHSAEPAEAGKAETSEGSGSAPAVPEASASPKQRRSIIRDRGPMYDDPTLPEGWTRKLKQRKSGRSAGKYDVYLINPQGKAFRSKVELIAYFEKVGDTSLDPNDFDFTVTGRGSPSRREQKPPKKPKSPKAPGTGRGRGRPKGSGTTRPKAATSEGVQVKRVLEKSPGKLLVKMPFQTSPGGKAEGGGATTSTQVMVIKRPGRKRKAEADPQAIPKKRGRKPGSVVAAAAAEAKKKAVKESSIRSVQETVLPIKKRKTRETVSIEVKEVVKPLLVSTLGEKSGKGLKTCKSPGRKSKESSPKGRSSSASSPPKKEHHHHHHHSESPKAPVPLLPPLPPPPPEPESSEDPTSPPEPQDLSSSVCKEEKMPRGGSLESDGCPKEPAKTQPAVATAATAAEKYKHRGEGERKDIVSSSMPRPNREEPVDSRTPVTERVS
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | KS317A,VM319A,EA318A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 0.823922 kcal/mol |
| 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] FoldX: Building mutant model (00:02:08)
[INFO] FoldX: Starting FoldX energy minimalization (00:02:13)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:04:20)
[INFO] Main: Simulation completed successfully. (00:04:23)
|
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 | 2.0010 | |
| 2 | V | A | 2.3938 | |
| 3 | A | A | 1.3425 | |
| 4 | G | A | 0.9522 | |
| 5 | M | A | 1.8561 | |
| 6 | L | A | 1.8334 | |
| 7 | G | A | 0.5923 | |
| 8 | L | A | 0.2185 | |
| 9 | R | A | -2.5891 | |
| 10 | E | A | -3.7836 | |
| 11 | E | A | -4.1121 | |
| 12 | K | A | -4.0041 | |
| 13 | S | A | -3.2885 | |
| 14 | E | A | -4.0191 | |
| 15 | D | A | -3.7970 | |
| 16 | Q | A | -3.3305 | |
| 17 | D | A | -2.6814 | |
| 18 | L | A | -0.6125 | |
| 19 | Q | A | -1.7448 | |
| 20 | G | A | -1.2066 | |
| 21 | L | A | -0.4916 | |
| 22 | K | A | -2.4494 | |
| 23 | D | A | -3.1213 | |
| 24 | K | A | -2.6773 | |
| 25 | P | A | -1.2152 | |
| 26 | L | A | 0.3034 | |
| 27 | K | A | -0.9423 | |
| 28 | F | A | 0.4491 | |
| 29 | K | A | -1.5254 | |
| 30 | K | A | -1.9534 | |
| 31 | V | A | -0.7447 | |
| 32 | K | A | -2.3104 | |
| 33 | K | A | -3.7526 | |
| 34 | D | A | -4.0266 | |
| 35 | K | A | -4.2092 | |
| 36 | K | A | -4.3493 | |
| 37 | E | A | -4.5546 | |
| 38 | E | A | -4.3428 | |
| 39 | K | A | -3.9764 | |
| 40 | E | A | -3.9727 | |
| 41 | G | A | -2.9745 | |
| 42 | K | A | -3.3254 | |
| 43 | H | A | -2.8707 | |
| 44 | E | A | -2.4566 | |
| 45 | P | A | -1.0061 | |
| 46 | V | A | 0.4624 | |
| 47 | Q | A | -0.5760 | |
| 48 | P | A | -0.6759 | |
| 49 | S | A | -0.7938 | |
| 50 | A | A | -0.9130 | |
| 51 | H | A | -1.6263 | |
| 52 | H | A | -1.6116 | |
| 53 | S | A | -1.2785 | |
| 54 | A | A | -1.1907 | |
| 55 | E | A | -1.9669 | |
| 56 | P | A | -1.6072 | |
| 57 | A | A | -1.4290 | |
| 58 | E | A | -1.9131 | |
| 59 | A | A | -1.4259 | |
| 60 | G | A | -1.6290 | |
| 61 | K | A | -2.2969 | |
| 62 | A | A | -1.8518 | |
| 63 | E | A | -2.2575 | |
| 64 | T | A | -1.4460 | |
| 65 | S | A | -1.6487 | |
| 66 | E | A | -2.2685 | |
| 67 | G | A | -1.6021 | |
| 68 | S | A | -1.1562 | |
| 69 | G | A | -0.9884 | |
| 70 | S | A | -0.5061 | |
| 71 | A | A | -0.2854 | |
| 72 | P | A | 0.1462 | |
| 73 | A | A | 0.4682 | |
| 74 | V | A | 1.0244 | |
| 75 | P | A | -0.3102 | |
| 76 | E | A | -1.3616 | |
| 77 | A | A | -0.7674 | |
| 78 | S | A | -0.7139 | |
| 79 | A | A | -0.6913 | |
| 80 | S | A | -1.0011 | |
| 81 | P | A | -1.7672 | |
| 82 | K | A | -3.2531 | |
| 83 | Q | A | -3.6404 | |
| 84 | R | A | -3.5534 | |
| 85 | R | A | -3.0329 | |
| 86 | S | A | -0.9963 | |
| 87 | I | A | 0.7101 | |
| 88 | I | A | 0.9963 | |
| 89 | R | A | -1.6835 | |
| 90 | D | A | -2.0406 | |
| 91 | R | A | -2.0209 | |
| 92 | G | A | -1.2114 | |
| 93 | P | A | -0.6702 | |
| 94 | M | A | -0.2728 | |
| 95 | Y | A | 0.1429 | |
| 96 | D | A | -1.3414 | |
| 97 | D | A | 0.0000 | |
| 98 | P | A | -0.9419 | |
| 99 | T | A | -1.0790 | |
| 100 | L | A | -1.0370 | |
| 101 | P | A | -1.2490 | |
| 102 | E | A | -2.0696 | |
| 103 | G | A | -1.5216 | |
| 104 | W | A | 0.0000 | |
| 105 | T | A | -0.8707 | |
| 106 | R | A | 0.0000 | |
| 107 | K | A | -1.2023 | |
| 108 | L | A | -1.1271 | |
| 109 | K | A | -2.4229 | |
| 110 | Q | A | -2.8880 | |
| 111 | R | A | -3.5250 | |
| 112 | K | A | -3.2969 | |
| 113 | S | A | -2.2724 | |
| 114 | G | A | -2.0265 | |
| 115 | R | A | -2.6859 | |
| 116 | S | A | -2.2982 | |
| 117 | A | A | -2.6215 | |
| 118 | G | A | -2.7042 | |
| 119 | K | A | -3.0769 | |
| 120 | Y | A | -2.0952 | |
| 121 | D | A | -1.7748 | |
| 122 | V | A | 0.0000 | |
| 123 | Y | A | -0.9895 | |
| 124 | L | A | 0.0000 | |
| 125 | I | A | -1.0849 | |
| 126 | N | A | -1.4622 | |
| 127 | P | A | -1.7096 | |
| 128 | Q | A | -2.0147 | |
| 129 | G | A | -1.7886 | |
| 130 | K | A | -1.9395 | |
| 131 | A | A | -1.5160 | |
| 132 | F | A | 0.0000 | |
| 133 | R | A | -2.0290 | |
| 134 | S | A | -1.0412 | |
| 135 | K | A | -0.9535 | |
| 136 | V | A | 0.8048 | |
| 137 | E | A | -0.8596 | |
| 138 | L | A | 0.0000 | |
| 139 | I | A | -0.3272 | |
| 140 | A | A | -0.5533 | |
| 141 | Y | A | -0.9534 | |
| 142 | F | A | 0.0000 | |
| 143 | E | A | -2.4738 | |
| 144 | K | A | -2.0974 | |
| 145 | V | A | -0.5760 | |
| 146 | G | A | -1.3954 | |
| 147 | D | A | -1.3665 | |
| 148 | T | A | -0.9460 | |
| 149 | S | A | -0.7381 | |
| 150 | L | A | -1.1426 | |
| 151 | D | A | -2.2625 | |
| 152 | P | A | -1.6935 | |
| 153 | N | A | -2.6582 | |
| 154 | D | A | -3.0715 | |
| 155 | F | A | 0.0000 | |
| 156 | D | A | -1.1746 | |
| 157 | F | A | -0.3941 | |
| 158 | T | A | -0.2008 | |
| 159 | V | A | -0.3312 | |
| 160 | T | A | -0.8904 | |
| 161 | G | A | 0.0000 | |
| 162 | R | A | -1.9794 | |
| 163 | G | A | -1.3774 | |
| 164 | S | A | -1.5748 | |
| 165 | P | A | -2.2949 | |
| 166 | S | A | -2.4389 | |
| 167 | R | A | -4.1152 | |
| 168 | R | A | -4.5843 | |
| 169 | E | A | -4.4936 | |
| 170 | Q | A | -4.3413 | |
| 171 | K | A | -4.1166 | |
| 172 | P | A | -3.0000 | |
| 173 | P | A | -2.4998 | |
| 174 | K | A | -3.3754 | |
| 175 | K | A | -3.2996 | |
| 176 | P | A | -2.5261 | |
| 177 | K | A | -3.0494 | |
| 178 | S | A | -2.0100 | |
| 179 | P | A | -1.6989 | |
| 180 | K | A | -2.2847 | |
| 181 | A | A | -1.1489 | |
| 182 | P | A | -0.9870 | |
| 183 | G | A | -1.2181 | |
| 184 | T | A | -1.0667 | |
| 185 | G | A | -1.9069 | |
| 186 | R | A | -2.8954 | |
| 187 | G | A | -2.7139 | |
| 188 | R | A | -3.2644 | |
| 189 | G | A | -2.9001 | |
| 190 | R | A | -3.2095 | |
| 191 | P | A | -2.4719 | |
| 192 | K | A | -2.7735 | |
| 193 | G | A | -1.8490 | |
| 194 | S | A | -1.1153 | |
| 195 | G | A | -0.9912 | |
| 196 | T | A | -0.8370 | |
| 197 | T | A | -1.1798 | |
| 198 | R | A | -2.4611 | |
| 199 | P | A | -2.1236 | |
| 200 | K | A | -2.2667 | |
| 201 | A | A | -1.0176 | |
| 202 | A | A | -0.3472 | |
| 203 | T | A | -0.5297 | |
| 204 | S | A | -1.3302 | |
| 205 | E | A | -1.8846 | |
| 206 | G | A | -0.6560 | |
| 207 | V | A | 0.7893 | |
| 208 | Q | A | -0.2065 | |
| 209 | V | A | 0.5404 | |
| 210 | K | A | -1.4928 | |
| 211 | R | A | -1.1474 | |
| 212 | V | A | 0.7408 | |
| 213 | L | A | 0.6615 | |
| 214 | E | A | -1.7242 | |
| 215 | K | A | -2.2333 | |
| 216 | S | A | -1.7037 | |
| 217 | P | A | -1.4666 | |
| 218 | G | A | -1.1656 | |
| 219 | K | A | -0.6263 | |
| 220 | L | A | 1.6187 | |
| 221 | L | A | 2.3335 | |
| 222 | V | A | 2.1481 | |
| 223 | K | A | 0.1614 | |
| 224 | M | A | 1.1451 | |
| 225 | P | A | 0.5176 | |
| 226 | F | A | 1.4583 | |
| 227 | Q | A | -0.3757 | |
| 228 | T | A | -0.4700 | |
| 229 | S | A | -0.7254 | |
| 230 | P | A | -0.7113 | |
| 231 | G | A | -1.2535 | |
| 232 | G | A | -1.5918 | |
| 233 | K | A | -2.4055 | |
| 234 | A | A | -1.9565 | |
| 235 | E | A | -2.4941 | |
| 236 | G | A | -1.6786 | |
| 237 | G | A | -1.3311 | |
| 238 | G | A | -0.7659 | |
| 239 | A | A | -0.3509 | |
| 240 | T | A | -0.2290 | |
| 241 | T | A | -0.2166 | |
| 242 | S | A | -0.5595 | |
| 243 | T | A | -0.2610 | |
| 244 | Q | A | 0.0084 | |
| 245 | V | A | 2.3669 | |
| 246 | M | A | 2.7980 | |
| 247 | V | A | 2.9165 | |
| 248 | I | A | 2.0194 | |
| 249 | K | A | -1.1399 | |
| 250 | R | A | -2.3558 | |
| 251 | P | A | -2.2224 | |
| 252 | G | A | -2.6846 | |
| 253 | R | A | -3.5240 | |
| 254 | K | A | -4.0444 | |
| 255 | R | A | -3.9887 | |
| 256 | K | A | -3.4080 | |
| 257 | A | A | -2.5062 | |
| 258 | E | A | -2.6305 | |
| 259 | A | A | -1.9466 | |
| 260 | D | A | -2.6677 | |
| 261 | P | A | -2.0717 | |
| 262 | Q | A | -1.3226 | |
| 263 | A | A | 0.1775 | |
| 264 | I | A | 1.0579 | |
| 265 | P | A | -0.7029 | |
| 266 | K | A | -2.4760 | |
| 267 | K | A | -3.3795 | |
| 268 | R | A | -3.6793 | |
| 269 | G | A | -3.1969 | |
| 270 | R | A | -3.4009 | |
| 271 | K | A | -2.9754 | |
| 272 | P | A | -1.7309 | |
| 273 | G | A | -0.9419 | |
| 274 | S | A | 0.5812 | |
| 275 | V | A | 2.4863 | |
| 276 | V | A | 2.6702 | |
| 277 | A | A | 1.4074 | |
| 278 | A | A | 0.5072 | |
| 279 | A | A | 0.1435 | |
| 280 | A | A | -0.2382 | |
| 281 | A | A | -0.7751 | |
| 282 | E | A | -2.1177 | |
| 283 | A | A | -2.0976 | |
| 284 | K | A | -3.3194 | |
| 285 | K | A | -3.4111 | |
| 286 | K | A | -2.5993 | |
| 287 | A | A | -0.9234 | |
| 288 | V | A | 0.0756 | |
| 289 | K | A | -1.9738 | |
| 290 | E | A | -2.1304 | |
| 291 | S | A | -1.2404 | |
| 292 | S | A | -0.4775 | |
| 293 | I | A | 0.9163 | |
| 294 | R | A | -0.6891 | |
| 295 | S | A | -0.3994 | |
| 296 | V | A | 0.2778 | |
| 297 | Q | A | -1.3024 | |
| 298 | E | A | -1.2828 | |
| 299 | T | A | 0.1810 | |
| 300 | V | A | 2.0437 | |
| 301 | L | A | 2.3342 | |
| 302 | P | A | 1.2209 | |
| 303 | I | A | 0.9669 | |
| 304 | K | A | -2.0364 | |
| 305 | K | A | -3.3726 | |
| 306 | R | A | -3.8115 | |
| 307 | K | A | -3.8361 | |
| 308 | T | A | -2.9892 | |
| 309 | R | A | -3.1908 | |
| 310 | E | A | -2.5104 | |
| 311 | T | A | -0.3664 | |
| 312 | V | A | 1.3044 | |
| 313 | S | A | 1.1296 | |
| 314 | I | A | 1.9749 | |
| 315 | E | A | 0.1274 | |
| 316 | V | A | 1.4596 | |
| 317 | S | A | 0.8908 | mutated: KS317A |
| 318 | A | A | 0.8919 | mutated: EA318A |
| 319 | M | A | 1.7473 | mutated: VM319A |
| 320 | V | A | 1.4277 | |
| 321 | K | A | -0.4119 | |
| 322 | P | A | 0.4123 | |
| 323 | L | A | 2.1488 | |
| 324 | L | A | 3.1201 | |
| 325 | V | A | 2.7757 | |
| 326 | S | A | 1.4102 | |
| 327 | T | A | 0.8912 | |
| 328 | L | A | 0.8247 | |
| 329 | G | A | -1.0740 | |
| 330 | E | A | -2.6133 | |
| 331 | K | A | -2.9337 | |
| 332 | S | A | -2.0386 | |
| 333 | G | A | -1.7196 | |
| 334 | K | A | -1.9733 | |
| 335 | G | A | -1.0242 | |
| 336 | L | A | 0.0170 | |
| 337 | K | A | -1.0757 | |
| 338 | T | A | -0.5473 | |
| 339 | C | A | -0.3988 | |
| 340 | K | A | -1.5262 | |
| 341 | S | A | -1.1491 | |
| 342 | P | A | -1.3854 | |
| 343 | G | A | -1.9932 | |
| 344 | R | A | -3.1093 | |
| 345 | K | A | -3.2757 | |
| 346 | S | A | -2.7144 | |
| 347 | K | A | -3.2090 | |
| 348 | E | A | -2.9303 | |
| 349 | S | A | -1.6638 | |
| 350 | S | A | -1.3781 | |
| 351 | P | A | -1.3068 | |
| 352 | K | A | -2.4816 | |
| 353 | G | A | -2.3539 | |
| 354 | R | A | -2.5592 | |
| 355 | S | A | -1.4736 | |
| 356 | S | A | -0.8030 | |
| 357 | S | A | -0.3951 | |
| 358 | A | A | -0.2506 | |
| 359 | S | A | -0.3826 | |
| 360 | S | A | -0.4760 | |
| 361 | P | A | -1.0995 | |
| 362 | P | A | -1.6425 | |
| 363 | K | A | -3.2215 | |
| 364 | K | A | -3.7845 | |
| 365 | E | A | -3.7145 | |
| 366 | H | A | -3.2607 | |
| 367 | H | A | -2.9910 | |
| 368 | H | A | -2.8281 | |
| 369 | H | A | -2.7563 | |
| 370 | H | A | -2.6365 | |
| 371 | H | A | -2.6540 | |
| 372 | H | A | -2.4822 | |
| 373 | S | A | -2.0569 | |
| 374 | E | A | -2.7396 | |
| 375 | S | A | -1.8380 | |
| 376 | P | A | -1.6728 | |
| 377 | K | A | -1.8984 | |
| 378 | A | A | -0.5458 | |
| 379 | P | A | 0.3647 | |
| 380 | V | A | 1.9117 | |
| 381 | P | A | 1.6746 | |
| 382 | L | A | 2.5058 | |
| 383 | L | A | 2.5381 | |
| 384 | P | A | 1.1026 | |
| 385 | P | A | 0.8694 | |
| 386 | L | A | 1.3668 | |
| 387 | P | A | 0.1666 | |
| 388 | P | A | -0.2545 | |
| 389 | P | A | -0.6825 | |
| 390 | P | A | -1.1052 | |
| 391 | P | A | -1.7381 | |
| 392 | E | A | -2.7123 | |
| 393 | P | A | -2.2164 | |
| 394 | E | A | -2.8935 | |
| 395 | S | A | -2.1212 | |
| 396 | S | A | -2.2232 | |
| 397 | E | A | -3.1580 | |
| 398 | D | A | -2.9296 | |
| 399 | P | A | -1.6829 | |
| 400 | T | A | -1.0951 | |
| 401 | S | A | -0.9626 | |
| 402 | P | A | -0.9518 | |
| 403 | P | A | -1.5431 | |
| 404 | E | A | -2.6619 | |
| 405 | P | A | -2.0154 | |
| 406 | Q | A | -2.3747 | |
| 407 | D | A | -1.9703 | |
| 408 | L | A | 0.1912 | |
| 409 | S | A | -0.1756 | |
| 410 | S | A | 0.1037 | |
| 411 | S | A | 0.8005 | |
| 412 | V | A | 1.6639 | |
| 413 | C | A | 0.4553 | |
| 414 | K | A | -2.3600 | |
| 415 | E | A | -3.8414 | |
| 416 | E | A | -3.7407 | |
| 417 | K | A | -2.5378 | |
| 418 | M | A | -0.6434 | |
| 419 | P | A | -0.9613 | |
| 420 | R | A | -2.0393 | |
| 421 | G | A | -1.7114 | |
| 422 | G | A | -0.9305 | |
| 423 | S | A | -0.1277 | |
| 424 | L | A | 0.4156 | |
| 425 | E | A | -1.6040 | |
| 426 | S | A | -1.7501 | |
| 427 | D | A | -2.3532 | |
| 428 | G | A | -1.0852 | |
| 429 | C | A | -0.3474 | |
| 430 | P | A | -1.1618 | |
| 431 | K | A | -2.6058 | |
| 432 | E | A | -2.8166 | |
| 433 | P | A | -1.9400 | |
| 434 | A | A | -1.3153 | |
| 435 | K | A | -2.0249 | |
| 436 | T | A | -1.5201 | |
| 437 | Q | A | -1.7426 | |
| 438 | P | A | -0.5583 | |
| 439 | A | A | 0.5681 | |
| 440 | V | A | 1.7652 | |
| 441 | A | A | 0.9372 | |
| 442 | T | A | 0.3879 | |
| 443 | A | A | 0.0517 | |
| 444 | A | A | 0.0497 | |
| 445 | T | A | 0.0125 | |
| 446 | A | A | -0.3664 | |
| 447 | A | A | -1.1917 | |
| 448 | E | A | -2.3283 | |
| 449 | K | A | -2.3147 | |
| 450 | Y | A | -0.9679 | |
| 451 | K | A | -2.3473 | |
| 452 | H | A | -2.6168 | |
| 453 | R | A | -3.3640 | |
| 454 | G | A | -2.5352 | |
| 455 | E | A | -3.2720 | |
| 456 | G | A | -2.7138 | |
| 457 | E | A | -3.7486 | |
| 458 | R | A | -4.0180 | |
| 459 | K | A | -3.4440 | |
| 460 | D | A | -1.6300 | |
| 461 | I | A | 1.3724 | |
| 462 | V | A | 2.1198 | |
| 463 | S | A | 0.8622 | |
| 464 | S | A | 0.5045 | |
| 465 | S | A | 0.0555 | |
| 466 | M | A | 0.2888 | |
| 467 | P | A | -0.9374 | |
| 468 | R | A | -2.3554 | |
| 469 | P | A | -2.3050 | |
| 470 | N | A | -3.3873 | |
| 471 | R | A | -4.1243 | |
| 472 | E | A | -3.8224 | |
| 473 | E | A | -3.2035 | |
| 474 | P | A | -1.4447 | |
| 475 | V | A | 0.0380 | |
| 476 | D | A | -1.6797 | |
| 477 | S | A | -1.6356 | |
| 478 | R | A | -2.2073 | |
| 479 | T | A | -0.8728 | |
| 480 | P | A | -0.1441 | |
| 481 | V | A | 0.6897 | |
| 482 | T | A | -0.4687 | |
| 483 | E | A | -1.8703 | |
| 484 | R | A | -1.7254 | |
| 485 | V | A | 0.2902 | |
| 486 | S | A | -0.0258 |
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