| Chain sequence(s) |
A: MAKALLSSSLLPSLQPRAAAARLPMLTLPSLRRHGGRRASACRVRASLHGLDSIAGLDLHAALERAEAALYTLADAAVVAADAAAGGGGGGGGGGGEAAASVAQKNGGWFGFISEALEVVLKVLKDGLSAVHVPYSYGFAIILLTVIVKAATLPLTKQQVESTLAMQNLQPQIKAIQQRYAGNQERIQLETARLYKQAGVNPLAGCFPTLATIPVWIGLYQALSNVANEGLLTEGFFWIPSLGGPTTIAARQSGAGISWLLPFVDGHPPLGWHDTICYLVLPVLLVASQFVSMEIMKPPQTDDPSQKNTLLVLKFLPFMIGWFSLSVPSGLSIYWFTNNILSTAQQVWLRKLGGAKPVVNQGGSGIITAGRAKRTSAQPAQPGERFKQLKEEESKRKGNKALAAGDSDLSASTSEDEESDDETTEEGGPEERYNSSSNKKLPNYSGKKGKRSKRKRMVQ
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | TI423A,ML25A,SA101A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 2.32142 kcal/mol
CAUTION: Your mutation/s can destabilize the protein structure |
| 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 (00:03:25)
[INFO] FoldX: Starting FoldX energy minimalization (00:03:31)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:07:09)
[INFO] Main: Simulation completed successfully. (00:07:14)
|
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 | 0.7327 | |
| 2 | A | A | -0.2423 | |
| 3 | K | A | -0.8848 | |
| 4 | A | A | 0.5054 | |
| 5 | L | A | 1.8718 | |
| 6 | L | A | 1.9391 | |
| 7 | S | A | 0.8993 | |
| 8 | S | A | 0.4438 | |
| 9 | S | A | 0.9120 | |
| 10 | L | A | 2.0419 | |
| 11 | L | A | 2.2406 | |
| 12 | P | A | 1.0348 | |
| 13 | S | A | 0.6762 | |
| 14 | L | A | 0.6999 | |
| 15 | Q | A | -1.0572 | |
| 16 | P | A | -1.3652 | |
| 17 | R | A | -1.9997 | |
| 18 | A | A | -0.9973 | |
| 19 | A | A | -0.3468 | |
| 20 | A | A | -0.4091 | |
| 21 | A | A | -0.5764 | |
| 22 | R | A | -1.1284 | |
| 23 | L | A | 0.7575 | |
| 24 | P | A | 1.1619 | |
| 25 | L | A | 2.4773 | mutated: ML25A |
| 26 | L | A | 2.7044 | |
| 27 | T | A | 1.7324 | |
| 28 | L | A | 2.1339 | |
| 29 | P | A | 0.7600 | |
| 30 | S | A | 0.1012 | |
| 31 | L | A | 0.1289 | |
| 32 | R | A | -2.3553 | |
| 33 | R | A | -3.0855 | |
| 34 | H | A | -2.6562 | |
| 35 | G | A | -2.5387 | |
| 36 | G | A | -2.5559 | |
| 37 | R | A | -3.2129 | |
| 38 | R | A | -2.9619 | |
| 39 | A | A | -1.4248 | |
| 40 | S | A | -0.9875 | |
| 41 | A | A | -0.3039 | |
| 42 | C | A | 0.0661 | |
| 43 | R | A | -1.1661 | |
| 44 | V | A | 0.1924 | |
| 45 | R | A | -1.2508 | |
| 46 | A | A | -0.3818 | |
| 47 | S | A | -0.1326 | |
| 48 | L | A | 0.9251 | |
| 49 | H | A | -0.3956 | |
| 50 | G | A | -0.4775 | |
| 51 | L | A | 0.7030 | |
| 52 | D | A | -1.0276 | |
| 53 | S | A | 0.2147 | |
| 54 | I | A | 1.8455 | |
| 55 | A | A | 0.9312 | |
| 56 | G | A | 0.4129 | |
| 57 | L | A | 1.0064 | |
| 58 | D | A | -0.6237 | |
| 59 | L | A | 0.3796 | |
| 60 | H | A | -0.9303 | |
| 61 | A | A | -1.1793 | |
| 62 | A | A | -0.7120 | |
| 63 | L | A | -0.8016 | |
| 64 | E | A | -2.5596 | |
| 65 | R | A | -2.4382 | |
| 66 | A | A | -1.2508 | |
| 67 | E | A | -1.4887 | |
| 68 | A | A | -0.5541 | |
| 69 | A | A | 0.2497 | |
| 70 | L | A | 1.4297 | |
| 71 | Y | A | 1.4180 | |
| 72 | T | A | 1.1606 | |
| 73 | L | A | 2.2641 | |
| 74 | A | A | 1.6375 | |
| 75 | D | A | 0.5017 | |
| 76 | A | A | 1.3442 | |
| 77 | A | A | 1.2894 | |
| 78 | V | A | 1.8116 | |
| 79 | V | A | 1.6956 | |
| 80 | A | A | 0.7097 | |
| 81 | A | A | 0.2635 | |
| 82 | D | A | -0.7347 | |
| 83 | A | A | -0.2001 | |
| 84 | A | A | -0.0102 | |
| 85 | A | A | -0.8528 | |
| 86 | G | A | -1.3385 | |
| 87 | G | A | -1.1571 | |
| 88 | G | A | -1.1962 | |
| 89 | G | A | -1.3007 | |
| 90 | G | A | -1.2095 | |
| 91 | G | A | -1.1997 | |
| 92 | G | A | -1.1904 | |
| 93 | G | A | -1.1379 | |
| 94 | G | A | -1.1285 | |
| 95 | G | A | -1.4004 | |
| 96 | G | A | -1.6526 | |
| 97 | E | A | -2.0953 | |
| 98 | A | A | -0.8708 | |
| 99 | A | A | -0.0716 | |
| 100 | A | A | 0.3806 | |
| 101 | A | A | 0.7775 | mutated: SA101A |
| 102 | V | A | 1.2373 | |
| 103 | A | A | -0.8683 | |
| 104 | Q | A | -2.0303 | |
| 105 | K | A | -3.2678 | |
| 106 | N | A | -2.4390 | |
| 107 | G | A | -1.2774 | |
| 108 | G | A | -0.0217 | |
| 109 | W | A | 1.4368 | |
| 110 | F | A | 1.4220 | |
| 111 | G | A | 0.4687 | |
| 112 | F | A | 1.8682 | |
| 113 | I | A | 1.4713 | |
| 114 | S | A | 0.0000 | |
| 115 | E | A | -0.3941 | |
| 116 | A | A | 0.8061 | |
| 117 | L | A | 1.0338 | |
| 118 | E | A | 0.0000 | |
| 119 | V | A | 1.9396 | |
| 120 | V | A | 1.7118 | |
| 121 | L | A | 0.0000 | |
| 122 | K | A | 0.4280 | |
| 123 | V | A | 1.4584 | |
| 124 | L | A | 0.7818 | |
| 125 | K | A | 0.0159 | |
| 126 | D | A | -1.2733 | |
| 127 | G | A | -0.3733 | |
| 128 | L | A | 0.2841 | |
| 129 | S | A | -0.1451 | |
| 130 | A | A | 0.0935 | |
| 131 | V | A | 1.1470 | |
| 132 | H | A | -0.1260 | |
| 133 | V | A | 0.4332 | |
| 134 | P | A | 0.4007 | |
| 135 | Y | A | 0.6515 | |
| 136 | S | A | 0.0000 | |
| 137 | Y | A | 0.1503 | |
| 138 | G | A | 0.0000 | |
| 139 | F | A | 1.1411 | |
| 140 | A | A | 0.0000 | |
| 141 | I | A | 0.0000 | |
| 142 | I | A | 1.3772 | |
| 143 | L | A | 1.5471 | |
| 144 | L | A | 0.0000 | |
| 145 | T | A | 0.0000 | |
| 146 | V | A | 1.6515 | |
| 147 | I | A | 1.7536 | |
| 148 | V | A | 1.1010 | |
| 149 | K | A | 0.7133 | |
| 150 | A | A | 0.7358 | |
| 151 | A | A | 0.5860 | |
| 152 | T | A | 0.3432 | |
| 153 | L | A | 0.0223 | |
| 154 | P | A | -0.4530 | |
| 155 | L | A | -0.1189 | |
| 156 | T | A | -0.7723 | |
| 157 | K | A | -1.8191 | |
| 158 | Q | A | -1.8896 | |
| 159 | Q | A | 0.0000 | |
| 160 | V | A | 0.0000 | |
| 161 | E | A | -2.1959 | |
| 162 | S | A | -1.4936 | |
| 163 | T | A | -0.8967 | |
| 164 | L | A | -1.1905 | |
| 165 | A | A | 0.0000 | |
| 166 | M | A | -0.8840 | |
| 167 | Q | A | -1.0292 | |
| 168 | N | A | -1.1935 | |
| 169 | L | A | 0.0000 | |
| 170 | Q | A | -1.1870 | |
| 171 | P | A | -1.1406 | |
| 172 | Q | A | -1.1445 | |
| 173 | I | A | -1.3037 | |
| 174 | K | A | -2.0920 | |
| 175 | A | A | -1.6206 | |
| 176 | I | A | 0.0000 | |
| 177 | Q | A | -2.5191 | |
| 178 | Q | A | -2.4680 | |
| 179 | R | A | -2.7462 | |
| 180 | Y | A | -2.3976 | |
| 181 | A | A | -1.6443 | |
| 182 | G | A | -1.7764 | |
| 183 | N | A | -2.6718 | |
| 184 | Q | A | -3.0192 | |
| 185 | E | A | -3.4528 | |
| 186 | R | A | -3.2475 | |
| 187 | I | A | -2.7691 | |
| 188 | Q | A | -2.3674 | |
| 189 | L | A | -1.1347 | |
| 190 | E | A | -1.5942 | |
| 191 | T | A | 0.0000 | |
| 192 | A | A | -1.5262 | |
| 193 | R | A | -2.3414 | |
| 194 | L | A | -1.2038 | |
| 195 | Y | A | -1.5001 | |
| 196 | K | A | -2.8287 | |
| 197 | Q | A | -1.2827 | |
| 198 | A | A | 0.0000 | |
| 199 | G | A | -1.1432 | |
| 200 | V | A | 0.0000 | |
| 201 | N | A | -1.3077 | |
| 202 | P | A | -0.2211 | |
| 203 | L | A | 1.2264 | |
| 204 | A | A | 0.1853 | |
| 205 | G | A | 0.2264 | |
| 206 | C | A | 1.3511 | |
| 207 | F | A | 1.6271 | |
| 208 | P | A | 0.9491 | |
| 209 | T | A | 1.3039 | |
| 210 | L | A | 2.3187 | |
| 211 | A | A | 1.6219 | |
| 212 | T | A | 1.6229 | |
| 213 | I | A | 2.3865 | |
| 214 | P | A | 1.8409 | |
| 215 | V | A | 1.7993 | |
| 216 | W | A | 1.6461 | |
| 217 | I | A | 1.5967 | |
| 218 | G | A | 0.0000 | |
| 219 | L | A | 0.0000 | |
| 220 | Y | A | 0.7100 | |
| 221 | Q | A | -0.3321 | |
| 222 | A | A | 0.0000 | |
| 223 | L | A | 0.0000 | |
| 224 | S | A | -0.8066 | |
| 225 | N | A | -1.9143 | |
| 226 | V | A | 0.0000 | |
| 227 | A | A | -1.2069 | |
| 228 | N | A | -2.4571 | |
| 229 | E | A | -2.6956 | |
| 230 | G | A | -1.6260 | |
| 231 | L | A | -0.7798 | |
| 232 | L | A | 0.0000 | |
| 233 | T | A | -0.7792 | |
| 234 | E | A | -0.4632 | |
| 235 | G | A | 0.1238 | |
| 236 | F | A | 0.0000 | |
| 237 | F | A | 2.0596 | |
| 238 | W | A | 1.4866 | |
| 239 | I | A | 0.0000 | |
| 240 | P | A | -0.0179 | |
| 241 | S | A | -0.2243 | |
| 242 | L | A | 0.0000 | |
| 243 | G | A | -0.7873 | |
| 244 | G | A | -0.3530 | |
| 245 | P | A | -0.0756 | |
| 246 | T | A | 0.0000 | |
| 247 | T | A | -0.0615 | |
| 248 | I | A | 0.2006 | |
| 249 | A | A | -0.1118 | |
| 250 | A | A | -0.3513 | |
| 251 | R | A | -0.7291 | |
| 252 | Q | A | -1.3168 | |
| 253 | S | A | -0.9475 | |
| 254 | G | A | -0.9033 | |
| 255 | A | A | -0.3020 | |
| 256 | G | A | 0.0000 | |
| 257 | I | A | 0.6278 | |
| 258 | S | A | 0.4828 | |
| 259 | W | A | 0.0000 | |
| 260 | L | A | 1.3729 | |
| 261 | L | A | 1.5579 | |
| 262 | P | A | 1.0593 | |
| 263 | F | A | 1.6054 | |
| 264 | V | A | 0.8128 | |
| 265 | D | A | -1.2796 | |
| 266 | G | A | -0.6527 | |
| 267 | H | A | 0.1043 | |
| 268 | P | A | 0.0000 | |
| 269 | P | A | 0.6233 | |
| 270 | L | A | 0.9872 | |
| 271 | G | A | 0.5753 | |
| 272 | W | A | 0.6898 | |
| 273 | H | A | -0.2026 | |
| 274 | D | A | -0.0518 | |
| 275 | T | A | 0.0000 | |
| 276 | I | A | 1.8179 | |
| 277 | C | A | 1.1383 | |
| 278 | Y | A | 0.0000 | |
| 279 | L | A | 1.7006 | |
| 280 | V | A | 2.0710 | |
| 281 | L | A | 0.0000 | |
| 282 | P | A | 0.0000 | |
| 283 | V | A | 2.7274 | |
| 284 | L | A | 1.7824 | |
| 285 | L | A | 0.0000 | |
| 286 | V | A | 2.4093 | |
| 287 | A | A | 1.6609 | |
| 288 | S | A | 1.3174 | |
| 289 | Q | A | 1.3438 | |
| 290 | F | A | 1.5326 | |
| 291 | V | A | 1.6863 | |
| 292 | S | A | 0.0000 | |
| 293 | M | A | -0.2459 | |
| 294 | E | A | -1.0228 | |
| 295 | I | A | 0.3241 | |
| 296 | M | A | -0.4814 | |
| 297 | K | A | -1.9555 | |
| 298 | P | A | -1.4886 | |
| 299 | P | A | -1.4122 | |
| 300 | Q | A | -2.2078 | |
| 301 | T | A | -2.1260 | |
| 302 | D | A | -2.6772 | |
| 303 | D | A | -2.1963 | |
| 304 | P | A | -1.7106 | |
| 305 | S | A | -1.5982 | |
| 306 | Q | A | -1.7180 | |
| 307 | K | A | -1.7547 | |
| 308 | N | A | -1.0320 | |
| 309 | T | A | -0.0193 | |
| 310 | L | A | 0.3627 | |
| 311 | L | A | 2.0964 | |
| 312 | V | A | 2.8567 | |
| 313 | L | A | 2.3931 | |
| 314 | K | A | 1.6842 | |
| 315 | F | A | 3.5747 | |
| 316 | L | A | 3.1834 | |
| 317 | P | A | 0.0000 | |
| 318 | F | A | 3.4465 | |
| 319 | M | A | 2.7044 | |
| 320 | I | A | 2.4700 | |
| 321 | G | A | 0.0000 | |
| 322 | W | A | 2.7562 | |
| 323 | F | A | 2.5098 | |
| 324 | S | A | 0.0000 | |
| 325 | L | A | 0.0000 | |
| 326 | S | A | 0.6979 | |
| 327 | V | A | 0.0000 | |
| 328 | P | A | 0.0000 | |
| 329 | S | A | 0.0000 | |
| 330 | G | A | 0.0000 | |
| 331 | L | A | 0.0000 | |
| 332 | S | A | 0.0000 | |
| 333 | I | A | 0.0000 | |
| 334 | Y | A | 0.0000 | |
| 335 | W | A | 0.5334 | |
| 336 | F | A | 0.7790 | |
| 337 | T | A | 0.8486 | |
| 338 | N | A | 0.5391 | |
| 339 | N | A | 0.4931 | |
| 340 | I | A | 1.4584 | |
| 341 | L | A | 0.9591 | |
| 342 | S | A | 0.4506 | |
| 343 | T | A | 0.8864 | |
| 344 | A | A | 0.4694 | |
| 345 | Q | A | -0.1534 | |
| 346 | Q | A | -0.3031 | |
| 347 | V | A | 0.1657 | |
| 348 | W | A | 0.0042 | |
| 349 | L | A | 0.0000 | |
| 350 | R | A | -1.5332 | |
| 351 | K | A | -1.3510 | |
| 352 | L | A | 0.2066 | |
| 353 | G | A | -0.9643 | |
| 354 | G | A | -1.5867 | |
| 355 | A | A | -1.1028 | |
| 356 | K | A | -1.2315 | |
| 357 | P | A | 0.0000 | |
| 358 | V | A | 1.5131 | |
| 359 | V | A | 1.3317 | |
| 360 | N | A | -0.4475 | |
| 361 | Q | A | -1.0159 | |
| 362 | G | A | -0.7365 | |
| 363 | G | A | 0.0000 | |
| 364 | S | A | 0.1912 | |
| 365 | G | A | 0.1553 | |
| 366 | I | A | 1.8084 | |
| 367 | I | A | 1.3114 | |
| 368 | T | A | -0.0567 | |
| 369 | A | A | -0.2592 | |
| 370 | G | A | -1.0393 | |
| 371 | R | A | -2.2830 | |
| 372 | A | A | -1.8401 | |
| 373 | K | A | -3.2017 | |
| 374 | R | A | -3.5544 | |
| 375 | T | A | -2.2841 | |
| 376 | S | A | -2.0234 | |
| 377 | A | A | -2.0293 | |
| 378 | Q | A | -2.0308 | |
| 379 | P | A | -1.4247 | |
| 380 | A | A | -1.8571 | |
| 381 | Q | A | -2.2938 | |
| 382 | P | A | -1.8332 | |
| 383 | G | A | -2.1625 | |
| 384 | E | A | -3.5821 | |
| 385 | R | A | -3.2697 | |
| 386 | F | A | -1.6534 | |
| 387 | K | A | -3.7202 | |
| 388 | Q | A | -3.5847 | |
| 389 | L | A | -2.1310 | |
| 390 | K | A | -4.1578 | |
| 391 | E | A | -4.7975 | |
| 392 | E | A | -4.4746 | |
| 393 | E | A | -5.1699 | |
| 394 | S | A | -4.6991 | |
| 395 | K | A | -5.3246 | |
| 396 | R | A | -5.6477 | |
| 397 | K | A | -4.8331 | |
| 398 | G | A | -3.3537 | |
| 399 | N | A | -3.4238 | |
| 400 | K | A | -3.2607 | |
| 401 | A | A | -1.6396 | |
| 402 | L | A | -0.3310 | |
| 403 | A | A | -0.9053 | |
| 404 | A | A | -1.0121 | |
| 405 | G | A | -1.3456 | |
| 406 | D | A | -1.9832 | |
| 407 | S | A | -1.7337 | |
| 408 | D | A | -1.6958 | |
| 409 | L | A | 0.2465 | |
| 410 | S | A | 0.0418 | |
| 411 | A | A | -0.0730 | |
| 412 | S | A | -0.1171 | |
| 413 | T | A | -0.6475 | |
| 414 | S | A | -1.6490 | |
| 415 | E | A | -3.1590 | |
| 416 | D | A | -3.9895 | |
| 417 | E | A | -4.0501 | |
| 418 | E | A | -3.5787 | |
| 419 | S | A | -2.7152 | |
| 420 | D | A | -3.5749 | |
| 421 | D | A | -3.1657 | |
| 422 | E | A | -2.1094 | |
| 423 | I | A | 0.2562 | mutated: TI423A |
| 424 | T | A | -0.7494 | |
| 425 | E | A | -2.3991 | |
| 426 | E | A | -3.0862 | |
| 427 | G | A | -2.1854 | |
| 428 | G | A | -1.6270 | |
| 429 | P | A | -1.8611 | |
| 430 | E | A | -3.2865 | |
| 431 | E | A | -3.4670 | |
| 432 | R | A | -2.9284 | |
| 433 | Y | A | -0.9207 | |
| 434 | N | A | -1.5033 | |
| 435 | S | A | -0.9976 | |
| 436 | S | A | -1.1472 | |
| 437 | S | A | -1.7261 | |
| 438 | N | A | -2.5549 | |
| 439 | K | A | -2.8594 | |
| 440 | K | A | -2.3529 | |
| 441 | L | A | -0.0839 | |
| 442 | P | A | -0.3957 | |
| 443 | N | A | -0.7606 | |
| 444 | Y | A | 0.3836 | |
| 445 | S | A | -0.7361 | |
| 446 | G | A | -1.7665 | |
| 447 | K | A | -2.9686 | |
| 448 | K | A | -3.5334 | |
| 449 | G | A | -3.0566 | |
| 450 | K | A | -3.6661 | |
| 451 | R | A | -3.7407 | |
| 452 | S | A | -3.1211 | |
| 453 | K | A | -4.0395 | |
| 454 | R | A | -4.1002 | |
| 455 | K | A | -3.5035 | |
| 456 | R | A | -2.5145 | |
| 457 | M | A | 0.1123 | |
| 458 | V | A | 1.1131 | |
| 459 | Q | A | -0.2584 |
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