| Chain sequence(s) |
A: MVIEFYRQTKPTQTTVFMSNHTFLSSFWEGFHIVKSHQSASLIKLTLKPNSIAKCPCGLKAQAVHEYQWRNVKEATLLGALVELSVQTRRIKCSHCGIKTERLPWLEPYARITNRLRSYIEQLLPLLPIKHIAQVTGVHWHTIKEIDKRRLQQVVPQVKWGELRQLVMDEFAIFKGHRYATVIADAKSHQVIWIGLGRSRKDIRPFFEQLGEHGKNIEAVAMDMNTAFDLEVQEHCPNARIVYDLFHVVAKFGREVMDRVRVDQANKLKHDKKARQWVKRSRWVLLKNKDNLNTQQESYLSEILNMNQDLMTTYLLGAQLKELWRCSSELQAKNLWQVWWEQVNESGIKPLKEFARKLHPYLHGITASASYPLNTCTLEGINNKIKLIKRMGYGYRDTDYFFLKIKAAFPGKPR
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 5 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | AK80A,VL135A |
| Energy difference between WT (input) and mutated protein (by FoldX) | -0.559572 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 (00:00:01)
[INFO] FoldX: Building mutant model (00:08:26)
[INFO] FoldX: Starting FoldX energy minimalization (00:08:39)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:12:09)
[INFO] Main: Simulation completed successfully. (00:12:12)
|
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 | 1.3796 | |
| 2 | V | A | 2.3280 | |
| 3 | I | A | 2.0046 | |
| 4 | E | A | -1.1064 | |
| 5 | F | A | 1.8489 | |
| 6 | Y | A | 1.3366 | |
| 7 | R | A | -1.8282 | |
| 8 | Q | A | -1.5496 | |
| 9 | T | A | -0.5935 | |
| 10 | K | A | -1.7583 | |
| 11 | P | A | -0.5720 | |
| 12 | T | A | -0.3368 | |
| 13 | Q | A | -1.2242 | |
| 14 | T | A | -0.3018 | |
| 15 | T | A | 0.2407 | |
| 16 | V | A | 2.1138 | |
| 17 | F | A | 2.4557 | |
| 18 | M | A | 1.3636 | |
| 19 | S | A | -0.2458 | |
| 20 | N | A | -1.4898 | |
| 21 | H | A | -1.2267 | |
| 22 | T | A | 0.1313 | |
| 23 | F | A | 1.9649 | |
| 24 | L | A | 0.5138 | |
| 25 | S | A | 0.0000 | |
| 26 | S | A | -0.0231 | |
| 27 | F | A | 1.0168 | |
| 28 | W | A | 0.0000 | |
| 29 | E | A | -1.8315 | |
| 30 | G | A | -0.4112 | |
| 31 | F | A | 0.0000 | |
| 32 | H | A | -0.1911 | |
| 33 | I | A | 0.3525 | |
| 34 | V | A | 0.3023 | |
| 35 | K | A | -1.6390 | |
| 36 | S | A | -0.7044 | |
| 37 | H | A | -1.2493 | |
| 38 | Q | A | -1.4166 | |
| 39 | S | A | -0.4075 | |
| 40 | A | A | -0.0148 | |
| 41 | S | A | -0.2002 | |
| 42 | L | A | 0.2773 | |
| 43 | I | A | 0.0000 | |
| 44 | K | A | -1.1436 | |
| 45 | L | A | 0.0000 | |
| 46 | T | A | -0.0174 | |
| 47 | L | A | 0.0000 | |
| 48 | K | A | -0.7562 | |
| 49 | P | A | -0.3964 | |
| 50 | N | A | -1.3043 | |
| 51 | S | A | -0.0099 | |
| 52 | I | A | 1.9866 | |
| 53 | A | A | 0.0000 | |
| 54 | K | A | -1.4121 | |
| 55 | C | A | 0.0000 | |
| 56 | P | A | -0.1330 | |
| 57 | C | A | 0.4210 | |
| 58 | G | A | -0.0516 | |
| 59 | L | A | 0.2657 | |
| 60 | K | A | -1.7332 | |
| 61 | A | A | -0.5202 | |
| 62 | Q | A | -1.1923 | |
| 63 | A | A | -0.0540 | |
| 64 | V | A | 0.6731 | |
| 65 | H | A | -0.3821 | |
| 66 | E | A | -0.3257 | |
| 67 | Y | A | 1.1726 | |
| 68 | Q | A | 0.1413 | |
| 69 | W | A | 0.9188 | |
| 70 | R | A | -0.3795 | |
| 71 | N | A | -1.3419 | |
| 72 | V | A | 0.0000 | |
| 73 | K | A | -0.5513 | |
| 74 | E | A | 0.0000 | |
| 75 | A | A | 0.0018 | |
| 76 | T | A | 0.0562 | |
| 77 | L | A | 0.5041 | |
| 78 | L | A | 1.5056 | |
| 79 | G | A | -0.2601 | |
| 80 | K | A | -0.4448 | mutated: AK80A |
| 81 | L | A | 0.2790 | |
| 82 | V | A | 0.0000 | |
| 83 | E | A | -0.8036 | |
| 84 | L | A | 0.0000 | |
| 85 | S | A | -0.2084 | |
| 86 | V | A | 0.0000 | |
| 87 | Q | A | -0.0398 | |
| 88 | T | A | 0.0000 | |
| 89 | R | A | 0.0000 | |
| 90 | R | A | -0.6589 | |
| 91 | I | A | 0.0000 | |
| 92 | K | A | -0.6615 | |
| 93 | C | A | 0.0000 | |
| 94 | S | A | -0.3928 | |
| 95 | H | A | -0.9541 | |
| 96 | C | A | 0.1790 | |
| 97 | G | A | 0.0902 | |
| 98 | I | A | 1.4327 | |
| 99 | K | A | -0.5771 | |
| 100 | T | A | -0.2693 | |
| 101 | E | A | 0.0000 | |
| 102 | R | A | -1.6895 | |
| 103 | L | A | -0.2006 | |
| 104 | P | A | -0.2265 | |
| 105 | W | A | 0.0000 | |
| 106 | L | A | 0.0000 | |
| 107 | E | A | -1.8535 | |
| 108 | P | A | -0.2781 | |
| 109 | Y | A | 1.2836 | |
| 110 | A | A | -0.0830 | |
| 111 | R | A | -1.8045 | |
| 112 | I | A | -0.1848 | |
| 113 | T | A | 0.0000 | |
| 114 | N | A | -1.4547 | |
| 115 | R | A | -0.9149 | |
| 116 | L | A | 0.0000 | |
| 117 | R | A | -0.8508 | |
| 118 | S | A | -0.2697 | |
| 119 | Y | A | 0.4598 | |
| 120 | I | A | 0.0000 | |
| 121 | E | A | -0.8023 | |
| 122 | Q | A | -1.2719 | |
| 123 | L | A | -0.0576 | |
| 124 | L | A | 0.0000 | |
| 125 | P | A | 0.0242 | |
| 126 | L | A | 1.5729 | |
| 127 | L | A | 0.6551 | |
| 128 | P | A | -0.0295 | |
| 129 | I | A | 0.0000 | |
| 130 | K | A | -1.3150 | |
| 131 | H | A | -0.6551 | |
| 132 | I | A | 0.0000 | |
| 133 | A | A | -0.2061 | |
| 134 | Q | A | -1.0478 | |
| 135 | L | A | 0.6183 | mutated: VL135A |
| 136 | T | A | 0.0000 | |
| 137 | G | A | -0.2828 | |
| 138 | V | A | 0.0000 | |
| 139 | H | A | -0.8911 | |
| 140 | W | A | 0.1967 | |
| 141 | H | A | -0.9240 | |
| 142 | T | A | -0.2070 | |
| 143 | I | A | 0.0000 | |
| 144 | K | A | -0.6354 | |
| 145 | E | A | -1.5870 | |
| 146 | I | A | 0.0000 | |
| 147 | D | A | 0.0000 | |
| 148 | K | A | -1.0869 | |
| 149 | R | A | -1.9927 | |
| 150 | R | A | -0.5544 | |
| 151 | L | A | 0.0000 | |
| 152 | Q | A | -1.4128 | |
| 153 | Q | A | -1.1640 | |
| 154 | V | A | 1.2186 | |
| 155 | V | A | 0.4869 | |
| 156 | P | A | -0.2705 | |
| 157 | Q | A | -1.1830 | |
| 158 | V | A | -0.3504 | |
| 159 | K | A | -1.6329 | |
| 160 | W | A | -0.1505 | |
| 161 | G | A | -0.4384 | |
| 162 | E | A | -1.6719 | |
| 163 | L | A | 0.0000 | |
| 164 | R | A | -0.7210 | |
| 165 | Q | A | -0.2441 | |
| 166 | L | A | 0.0000 | |
| 167 | V | A | 0.0000 | |
| 168 | M | A | 0.0000 | |
| 169 | D | A | 0.0000 | |
| 170 | E | A | -0.3048 | |
| 171 | F | A | 0.0000 | |
| 172 | A | A | 0.0759 | |
| 173 | I | A | 0.0000 | |
| 174 | F | A | 0.9372 | |
| 175 | K | A | -1.5565 | |
| 176 | G | A | -0.9472 | |
| 177 | H | A | -1.4023 | |
| 178 | R | A | -1.9706 | |
| 179 | Y | A | -0.0572 | |
| 180 | A | A | 0.0000 | |
| 181 | T | A | 0.0000 | |
| 182 | V | A | 0.0000 | |
| 183 | I | A | 0.0000 | |
| 184 | A | A | 0.0000 | |
| 185 | D | A | 0.0000 | |
| 186 | A | A | -0.2334 | |
| 187 | K | A | -1.3504 | |
| 188 | S | A | 0.0000 | |
| 189 | H | A | -0.4791 | |
| 190 | Q | A | -0.2645 | |
| 191 | V | A | 0.0000 | |
| 192 | I | A | 0.0000 | |
| 193 | W | A | 0.0000 | |
| 194 | I | A | 0.0000 | |
| 195 | G | A | 0.1282 | |
| 196 | L | A | 0.9312 | |
| 197 | G | A | -0.0042 | |
| 198 | R | A | -0.6023 | |
| 199 | S | A | -0.4227 | |
| 200 | R | A | -1.6407 | |
| 201 | K | A | -1.9972 | |
| 202 | D | A | -0.6372 | |
| 203 | I | A | 0.0000 | |
| 204 | R | A | -0.6167 | |
| 205 | P | A | -0.2432 | |
| 206 | F | A | 0.0000 | |
| 207 | F | A | 0.0000 | |
| 208 | E | A | -2.0345 | |
| 209 | Q | A | -1.5242 | |
| 210 | L | A | 0.0000 | |
| 211 | G | A | -0.6446 | |
| 212 | E | A | -1.9335 | |
| 213 | H | A | -0.6418 | |
| 214 | G | A | 0.0000 | |
| 215 | K | A | -1.8076 | |
| 216 | N | A | -0.9039 | |
| 217 | I | A | 0.0000 | |
| 218 | E | A | -0.8146 | |
| 219 | A | A | 0.0000 | |
| 220 | V | A | 0.0000 | |
| 221 | A | A | 0.0000 | |
| 222 | M | A | 0.0000 | |
| 223 | D | A | -0.3710 | |
| 224 | M | A | 0.0336 | |
| 225 | N | A | -0.2194 | |
| 226 | T | A | -0.1310 | |
| 227 | A | A | -0.1368 | |
| 228 | F | A | 0.0000 | |
| 229 | D | A | -0.0797 | |
| 230 | L | A | 0.6479 | |
| 231 | E | A | 0.0000 | |
| 232 | V | A | 0.0000 | |
| 233 | Q | A | -1.5259 | |
| 234 | E | A | -2.0718 | |
| 235 | H | A | -0.5287 | |
| 236 | C | A | 0.0000 | |
| 237 | P | A | -0.4838 | |
| 238 | N | A | -1.3173 | |
| 239 | A | A | -0.5919 | |
| 240 | R | A | -1.3687 | |
| 241 | I | A | 0.0000 | |
| 242 | V | A | 0.0000 | |
| 243 | Y | A | 0.0000 | |
| 244 | D | A | 0.0000 | |
| 245 | L | A | 0.6462 | |
| 246 | F | A | 1.9626 | |
| 247 | H | A | 0.1780 | |
| 248 | V | A | 0.0000 | |
| 249 | V | A | 0.4272 | |
| 250 | A | A | -0.0208 | |
| 251 | K | A | -0.6041 | |
| 252 | F | A | 0.0000 | |
| 253 | G | A | 0.0000 | |
| 254 | R | A | -2.0838 | |
| 255 | E | A | -1.6582 | |
| 256 | V | A | 0.0000 | |
| 257 | M | A | 0.0000 | |
| 258 | D | A | -0.3271 | |
| 259 | R | A | -0.7218 | |
| 260 | V | A | 0.0000 | |
| 261 | R | A | 0.0000 | |
| 262 | V | A | 0.3770 | |
| 263 | D | A | -1.5492 | |
| 264 | Q | A | 0.0000 | |
| 265 | A | A | 0.0000 | |
| 266 | N | A | -0.7073 | |
| 267 | K | A | -1.6949 | |
| 268 | L | A | -0.1669 | |
| 269 | K | A | -1.8023 | |
| 270 | H | A | -1.5105 | |
| 271 | D | A | -1.6827 | |
| 272 | K | A | -2.2196 | |
| 273 | K | A | -2.0014 | |
| 274 | A | A | -0.4037 | |
| 275 | R | A | -0.7928 | |
| 276 | Q | A | -1.3583 | |
| 277 | W | A | -0.0525 | |
| 278 | V | A | 0.0000 | |
| 279 | K | A | -1.2656 | |
| 280 | R | A | -1.8733 | |
| 281 | S | A | 0.0000 | |
| 282 | R | A | -0.3467 | |
| 283 | W | A | 1.0830 | |
| 284 | V | A | 0.0000 | |
| 285 | L | A | 0.0000 | |
| 286 | L | A | 0.5586 | |
| 287 | K | A | -0.9455 | |
| 288 | N | A | -1.7059 | |
| 289 | K | A | -2.1216 | |
| 290 | D | A | -2.2987 | |
| 291 | N | A | -1.5643 | |
| 292 | L | A | -0.3045 | |
| 293 | N | A | -1.2564 | |
| 294 | T | A | -0.5147 | |
| 295 | Q | A | -1.2624 | |
| 296 | Q | A | -0.8034 | |
| 297 | E | A | -1.7668 | |
| 298 | S | A | -0.4393 | |
| 299 | Y | A | 0.0000 | |
| 300 | L | A | 0.0000 | |
| 301 | S | A | -0.3143 | |
| 302 | E | A | -1.0137 | |
| 303 | I | A | 0.0000 | |
| 304 | L | A | 0.0000 | |
| 305 | N | A | -1.0838 | |
| 306 | M | A | 0.7948 | |
| 307 | N | A | -0.1944 | |
| 308 | Q | A | -1.2896 | |
| 309 | D | A | -0.5556 | |
| 310 | L | A | 0.0000 | |
| 311 | M | A | 0.2916 | |
| 312 | T | A | 0.0398 | |
| 313 | T | A | 0.0000 | |
| 314 | Y | A | 0.0000 | |
| 315 | L | A | 1.1561 | |
| 316 | L | A | 0.0000 | |
| 317 | G | A | -0.0407 | |
| 318 | A | A | -0.0578 | |
| 319 | Q | A | -0.4399 | |
| 320 | L | A | 0.0000 | |
| 321 | K | A | -0.6182 | |
| 322 | E | A | -1.8234 | |
| 323 | L | A | 0.0000 | |
| 324 | W | A | -0.1870 | |
| 325 | R | A | -1.9678 | |
| 326 | C | A | -0.3017 | |
| 327 | S | A | -0.2166 | |
| 328 | S | A | -0.2251 | |
| 329 | E | A | -0.2511 | |
| 330 | L | A | 1.3039 | |
| 331 | Q | A | -0.5508 | |
| 332 | A | A | 0.0000 | |
| 333 | K | A | -1.2994 | |
| 334 | N | A | -1.4290 | |
| 335 | L | A | -0.0249 | |
| 336 | W | A | 0.0000 | |
| 337 | Q | A | -0.6657 | |
| 338 | V | A | 1.3169 | |
| 339 | W | A | 0.0000 | |
| 340 | W | A | -0.1107 | |
| 341 | E | A | -1.8702 | |
| 342 | Q | A | -0.8191 | |
| 343 | V | A | 0.0000 | |
| 344 | N | A | -0.6654 | |
| 345 | E | A | -1.8884 | |
| 346 | S | A | -0.4530 | |
| 347 | G | A | -0.4740 | |
| 348 | I | A | 0.0000 | |
| 349 | K | A | -1.7044 | |
| 350 | P | A | -0.3239 | |
| 351 | L | A | 0.0000 | |
| 352 | K | A | -0.4461 | |
| 353 | E | A | -0.4901 | |
| 354 | F | A | 0.0000 | |
| 355 | A | A | 0.0000 | |
| 356 | R | A | -1.6555 | |
| 357 | K | A | -1.8417 | |
| 358 | L | A | 0.0000 | |
| 359 | H | A | -0.6972 | |
| 360 | P | A | -0.3108 | |
| 361 | Y | A | 0.2780 | |
| 362 | L | A | 0.0000 | |
| 363 | H | A | -0.9697 | |
| 364 | G | A | 0.0000 | |
| 365 | I | A | 0.0000 | |
| 366 | T | A | 0.0000 | |
| 367 | A | A | 0.0000 | |
| 368 | S | A | 0.0000 | |
| 369 | A | A | -0.0227 | |
| 370 | S | A | -0.1281 | |
| 371 | Y | A | 0.1760 | |
| 372 | P | A | -0.1722 | |
| 373 | L | A | -0.0769 | |
| 374 | N | A | -1.2351 | |
| 375 | T | A | 0.0000 | |
| 376 | C | A | 0.7299 | |
| 377 | T | A | 0.1224 | |
| 378 | L | A | 0.0000 | |
| 379 | E | A | -1.8751 | |
| 380 | G | A | -0.6341 | |
| 381 | I | A | 0.0000 | |
| 382 | N | A | -0.2931 | |
| 383 | N | A | -0.9445 | |
| 384 | K | A | -0.8504 | |
| 385 | I | A | 0.0000 | |
| 386 | K | A | -0.8876 | |
| 387 | L | A | 0.7917 | |
| 388 | I | A | 0.0000 | |
| 389 | K | A | -0.6385 | |
| 390 | R | A | -1.7599 | |
| 391 | M | A | 0.4194 | |
| 392 | G | A | 0.2428 | |
| 393 | Y | A | 1.2348 | |
| 394 | G | A | -0.0593 | |
| 395 | Y | A | -0.2620 | |
| 396 | R | A | -1.8668 | |
| 397 | D | A | -0.5941 | |
| 398 | T | A | -0.3912 | |
| 399 | D | A | -1.7934 | |
| 400 | Y | A | 0.0000 | |
| 401 | F | A | 0.0000 | |
| 402 | F | A | 0.2388 | |
| 403 | L | A | 0.1619 | |
| 404 | K | A | -0.2436 | |
| 405 | I | A | 0.0000 | |
| 406 | K | A | -0.2979 | |
| 407 | A | A | -0.0409 | |
| 408 | A | A | 0.0529 | |
| 409 | F | A | 0.1942 | |
| 410 | P | A | -0.1761 | |
| 411 | G | A | -0.5717 | |
| 412 | K | A | -1.7743 | |
| 413 | P | A | -0.8930 | |
| 414 | R | A | -1.8900 |
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