| Chain sequence(s) |
A: EWVKFAKPCREGEDNSKRNPIAKITSDYQATQKITYRISGVGIDQPPFGIFVVDKNTGDINITAIVDREETPSFLITCRALNAQGLDVEKPLILTVKILDINDNPPVFSQQIFMGEIEENSASNSLVMILNATDADEPNHLNSKIAFKIVSQEPAGTPMFLLSRNTGEVRTLTNSLDREQASSYRLVVSGADKDGEGLSTQCECNIKVKDVNDNFPMFRDSQYSARIEENILSSELLRFQVTDLDEEYTDNWLAVYFFTSGNEGNWFEIQTDPRTNEGILKVVKALDYEQLQSVKLSIAVKNKAEFHQSVISRYRVQSTPVTIQVINVREGIAFRPASKTFTVQKGISSKKLVDYILGTYQAIDEDTNKAASNVKYVMGRNDGGYLMIDSKTAEIKFVKNMNRDSTFIVNKTITAEVLAIDEYTGKTSTGTVYVRVPDF
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | TA77A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 0.740663 kcal/mol |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:02)
[INFO] FoldX: Building mutant model (00:04:18)
[INFO] FoldX: Starting FoldX energy minimalization (00:04:23)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:08:35)
[INFO] Main: Simulation completed successfully. (00:08:40)
|
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 | |
| 1 | E | A | -2.0944 | |
| 2 | W | A | -0.9899 | |
| 3 | V | A | 0.5089 | |
| 4 | K | A | -0.1597 | |
| 5 | F | A | 0.8115 | |
| 6 | A | A | -0.3013 | |
| 7 | K | A | -0.7257 | |
| 8 | P | A | -1.0355 | |
| 9 | C | A | 0.0000 | |
| 10 | R | A | -1.8261 | |
| 11 | E | A | 0.0000 | |
| 12 | G | A | -1.7884 | |
| 13 | E | A | -2.7682 | |
| 14 | D | A | -2.8358 | |
| 15 | N | A | 0.0000 | |
| 16 | S | A | -1.9566 | |
| 17 | K | A | -2.5526 | |
| 18 | R | A | -1.9860 | |
| 19 | N | A | -1.6490 | |
| 20 | P | A | -1.2219 | |
| 21 | I | A | 0.0000 | |
| 22 | A | A | 0.0000 | |
| 23 | K | A | -0.9072 | |
| 24 | I | A | 0.0000 | |
| 25 | T | A | -0.7105 | |
| 26 | S | A | 0.0000 | |
| 27 | D | A | -1.8230 | |
| 28 | Y | A | -1.2000 | |
| 29 | Q | A | -1.6872 | |
| 30 | A | A | -0.9826 | |
| 31 | T | A | -0.8615 | |
| 32 | Q | A | -1.5311 | |
| 33 | K | A | -2.3263 | |
| 34 | I | A | 0.0000 | |
| 35 | T | A | -2.3640 | |
| 36 | Y | A | 0.0000 | |
| 37 | R | A | -2.5813 | |
| 38 | I | A | -0.9450 | |
| 39 | S | A | -0.4566 | |
| 40 | G | A | 0.0507 | |
| 41 | V | A | 0.1974 | |
| 42 | G | A | 0.0000 | |
| 43 | I | A | 0.1472 | |
| 44 | D | A | -1.6834 | |
| 45 | Q | A | -1.4145 | |
| 46 | P | A | -0.4207 | |
| 47 | P | A | -0.0071 | |
| 48 | F | A | 1.1068 | |
| 49 | G | A | 0.7051 | |
| 50 | I | A | 0.0000 | |
| 51 | F | A | 0.0000 | |
| 52 | V | A | 0.6190 | |
| 53 | V | A | 0.0000 | |
| 54 | D | A | -2.3410 | |
| 55 | K | A | -3.0627 | |
| 56 | N | A | -2.9575 | |
| 57 | T | A | -1.6676 | |
| 58 | G | A | 0.0000 | |
| 59 | D | A | -1.1905 | |
| 60 | I | A | 0.0000 | |
| 61 | N | A | -0.7578 | |
| 62 | I | A | 0.0000 | |
| 63 | T | A | 0.3102 | |
| 64 | A | A | 0.3051 | |
| 65 | I | A | 0.4382 | |
| 66 | V | A | 0.0000 | |
| 67 | D | A | -2.7202 | |
| 68 | R | A | 0.0000 | |
| 69 | E | A | -3.2500 | |
| 70 | E | A | -3.1202 | |
| 71 | T | A | -2.0501 | |
| 72 | P | A | -1.8148 | |
| 73 | S | A | -1.0012 | |
| 74 | F | A | 0.0000 | |
| 75 | L | A | 1.8249 | |
| 76 | I | A | 0.0000 | |
| 77 | A | A | 0.6610 | mutated: TA77A |
| 78 | C | A | 0.0000 | |
| 79 | R | A | -1.6839 | |
| 80 | A | A | 0.0000 | |
| 81 | L | A | 0.0000 | |
| 82 | N | A | -0.9705 | |
| 83 | A | A | -1.1746 | |
| 84 | Q | A | -1.3227 | |
| 85 | G | A | -0.4903 | |
| 86 | L | A | 0.2663 | |
| 87 | D | A | -1.3257 | |
| 88 | V | A | -0.6541 | |
| 89 | E | A | -1.5316 | |
| 90 | K | A | -2.1808 | |
| 91 | P | A | -1.1113 | |
| 92 | L | A | 0.2616 | |
| 93 | I | A | 1.6663 | |
| 94 | L | A | 0.0000 | |
| 95 | T | A | 0.4548 | |
| 96 | V | A | 0.0000 | |
| 97 | K | A | -1.7118 | |
| 98 | I | A | 0.0000 | |
| 99 | L | A | -0.7961 | |
| 100 | D | A | -1.1695 | |
| 101 | I | A | -1.1033 | |
| 102 | N | A | -1.0528 | |
| 103 | D | A | -2.2914 | |
| 104 | N | A | -1.3286 | |
| 105 | P | A | -0.4425 | |
| 106 | P | A | 0.0000 | |
| 107 | V | A | 0.4275 | |
| 108 | F | A | -0.4040 | |
| 109 | S | A | -0.6876 | |
| 110 | Q | A | -1.0552 | |
| 111 | Q | A | -1.2972 | |
| 112 | I | A | -0.0281 | |
| 113 | F | A | 0.0000 | |
| 114 | M | A | 0.5698 | |
| 115 | G | A | -0.2720 | |
| 116 | E | A | -2.3909 | |
| 117 | I | A | 0.0000 | |
| 118 | E | A | -2.7614 | |
| 119 | E | A | 0.0000 | |
| 120 | N | A | -1.5872 | |
| 121 | S | A | -1.1673 | |
| 122 | A | A | -0.8473 | |
| 123 | S | A | -0.9696 | |
| 124 | N | A | -1.1781 | |
| 125 | S | A | -0.6875 | |
| 126 | L | A | 0.4433 | |
| 127 | V | A | -0.0920 | |
| 128 | M | A | 0.0000 | |
| 129 | I | A | 1.7197 | |
| 130 | L | A | 0.0000 | |
| 131 | N | A | -0.7707 | |
| 132 | A | A | -0.3326 | |
| 133 | T | A | -0.1525 | |
| 134 | D | A | -0.4485 | |
| 135 | A | A | -1.0523 | |
| 136 | D | A | 0.0000 | |
| 137 | E | A | -1.2584 | |
| 138 | P | A | -1.2844 | |
| 139 | N | A | -1.7119 | |
| 140 | H | A | -1.2452 | |
| 141 | L | A | -0.3874 | |
| 142 | N | A | 0.0000 | |
| 143 | S | A | -1.0658 | |
| 144 | K | A | -1.4208 | |
| 145 | I | A | -1.0944 | |
| 146 | A | A | 0.0000 | |
| 147 | F | A | 0.0000 | |
| 148 | K | A | -1.7150 | |
| 149 | I | A | -0.0123 | |
| 150 | V | A | 0.6521 | |
| 151 | S | A | -0.4266 | |
| 152 | Q | A | -1.2040 | |
| 153 | E | A | -2.2160 | |
| 154 | P | A | -1.6197 | |
| 155 | A | A | -1.1630 | |
| 156 | G | A | -0.9221 | |
| 157 | T | A | -0.4138 | |
| 158 | P | A | -0.1940 | |
| 159 | M | A | -0.1181 | |
| 160 | F | A | 0.0000 | |
| 161 | L | A | -0.0036 | |
| 162 | L | A | -0.5188 | |
| 163 | S | A | -1.2565 | |
| 164 | R | A | -2.6113 | |
| 165 | N | A | -2.0842 | |
| 166 | T | A | -0.8615 | |
| 167 | G | A | 0.0000 | |
| 168 | E | A | -0.0710 | |
| 169 | V | A | 0.0000 | |
| 170 | R | A | -0.0560 | |
| 171 | T | A | 0.0000 | |
| 172 | L | A | 0.0610 | |
| 173 | T | A | -0.7007 | |
| 174 | N | A | -1.4723 | |
| 175 | S | A | -1.0660 | |
| 176 | L | A | 0.0000 | |
| 177 | D | A | -2.0919 | |
| 178 | R | A | 0.0000 | |
| 179 | E | A | -1.9988 | |
| 180 | Q | A | -1.9565 | |
| 181 | A | A | -1.3063 | |
| 182 | S | A | -1.3447 | |
| 183 | S | A | -1.5096 | |
| 184 | Y | A | 0.0000 | |
| 185 | R | A | -1.9866 | |
| 186 | L | A | 0.0000 | |
| 187 | V | A | -0.3994 | |
| 188 | V | A | 0.0000 | |
| 189 | S | A | -0.6376 | |
| 190 | G | A | 0.0000 | |
| 191 | A | A | 0.0000 | |
| 192 | D | A | 0.0000 | |
| 193 | K | A | -1.3824 | |
| 194 | D | A | -1.7825 | |
| 195 | G | A | -2.1014 | |
| 196 | E | A | -2.2527 | |
| 197 | G | A | -1.2669 | |
| 198 | L | A | -0.4744 | |
| 199 | S | A | -0.3715 | |
| 200 | T | A | -0.2345 | |
| 201 | Q | A | -1.1708 | |
| 202 | C | A | 0.0000 | |
| 203 | E | A | -0.6922 | |
| 204 | C | A | 0.0000 | |
| 205 | N | A | -0.7547 | |
| 206 | I | A | 0.0000 | |
| 207 | K | A | -2.0095 | |
| 208 | V | A | 0.0000 | |
| 209 | K | A | -2.4390 | |
| 210 | D | A | -1.8458 | |
| 211 | V | A | -1.3826 | |
| 212 | N | A | 0.0000 | |
| 213 | D | A | -0.5410 | |
| 214 | N | A | 0.0113 | |
| 215 | F | A | -0.0682 | |
| 216 | P | A | 0.0000 | |
| 217 | M | A | -0.1507 | |
| 218 | F | A | -1.3734 | |
| 219 | R | A | -2.7961 | |
| 220 | D | A | -3.0594 | |
| 221 | S | A | -1.9835 | |
| 222 | Q | A | -2.0971 | |
| 223 | Y | A | -1.0008 | |
| 224 | S | A | -1.0933 | |
| 225 | A | A | -1.1061 | |
| 226 | R | A | -2.2655 | |
| 227 | I | A | 0.0000 | |
| 228 | E | A | -1.4058 | |
| 229 | E | A | 0.0000 | |
| 230 | N | A | -1.2135 | |
| 231 | I | A | 0.5823 | |
| 232 | L | A | 1.2078 | |
| 233 | S | A | 0.2677 | |
| 234 | S | A | -0.8539 | |
| 235 | E | A | -1.6337 | |
| 236 | L | A | -0.8473 | |
| 237 | L | A | -0.7298 | |
| 238 | R | A | -0.8893 | |
| 239 | F | A | 0.0000 | |
| 240 | Q | A | -1.2967 | |
| 241 | V | A | 0.0000 | |
| 242 | T | A | -0.0657 | |
| 243 | D | A | 0.0000 | |
| 244 | L | A | 0.2612 | |
| 245 | D | A | 0.0000 | |
| 246 | E | A | -1.4486 | |
| 247 | E | A | -1.4514 | |
| 248 | Y | A | -0.1974 | |
| 249 | T | A | -0.9060 | |
| 250 | D | A | -2.0061 | |
| 251 | N | A | -1.6511 | |
| 252 | W | A | 0.0000 | |
| 253 | L | A | -1.0613 | |
| 254 | A | A | 0.0000 | |
| 255 | V | A | -0.3257 | |
| 256 | Y | A | 0.0000 | |
| 257 | F | A | 0.6448 | |
| 258 | F | A | 0.0639 | |
| 259 | T | A | 0.0995 | |
| 260 | S | A | -0.8332 | |
| 261 | G | A | -1.5919 | |
| 262 | N | A | -1.9273 | |
| 263 | E | A | -2.3509 | |
| 264 | G | A | -1.8275 | |
| 265 | N | A | -2.2213 | |
| 266 | W | A | -1.3419 | |
| 267 | F | A | 0.0000 | |
| 268 | E | A | -1.6929 | |
| 269 | I | A | -0.8699 | |
| 270 | Q | A | -1.3613 | |
| 271 | T | A | -0.6936 | |
| 272 | D | A | 0.0000 | |
| 273 | P | A | -0.9918 | |
| 274 | R | A | -1.9336 | |
| 275 | T | A | -1.1088 | |
| 276 | N | A | 0.0000 | |
| 277 | E | A | -0.8291 | |
| 278 | G | A | 0.0000 | |
| 279 | I | A | 0.0000 | |
| 280 | L | A | 0.0000 | |
| 281 | K | A | -1.2444 | |
| 282 | V | A | 0.0000 | |
| 283 | V | A | 0.0973 | |
| 284 | K | A | -1.1147 | |
| 285 | A | A | -0.4255 | |
| 286 | L | A | 0.0000 | |
| 287 | D | A | -2.5372 | |
| 288 | Y | A | -2.2844 | |
| 289 | E | A | -2.7354 | |
| 290 | Q | A | -2.1324 | |
| 291 | L | A | -1.2833 | |
| 292 | Q | A | -1.9688 | |
| 293 | S | A | -1.5250 | |
| 294 | V | A | 0.0000 | |
| 295 | K | A | -2.0070 | |
| 296 | L | A | 0.0000 | |
| 297 | S | A | -0.5593 | |
| 298 | I | A | 0.0000 | |
| 299 | A | A | 0.0000 | |
| 300 | V | A | 0.0000 | |
| 301 | K | A | -0.9633 | |
| 302 | N | A | 0.0000 | |
| 303 | K | A | -2.5650 | |
| 304 | A | A | -2.2266 | |
| 305 | E | A | -2.5134 | |
| 306 | F | A | 0.0000 | |
| 307 | H | A | -0.8814 | |
| 308 | Q | A | -1.2572 | |
| 309 | S | A | -0.6904 | |
| 310 | V | A | -0.2376 | |
| 311 | I | A | 0.0522 | |
| 312 | S | A | -0.7110 | |
| 313 | R | A | -1.7739 | |
| 314 | Y | A | -0.7854 | |
| 315 | R | A | -1.3616 | |
| 316 | V | A | 0.2047 | |
| 317 | Q | A | -0.0472 | |
| 318 | S | A | -0.1715 | |
| 319 | T | A | 0.0000 | |
| 320 | P | A | -1.2046 | |
| 321 | V | A | 0.0000 | |
| 322 | T | A | -1.4632 | |
| 323 | I | A | 0.0000 | |
| 324 | Q | A | -2.1838 | |
| 325 | V | A | 0.0000 | |
| 326 | I | A | -1.3566 | |
| 327 | N | A | -2.1108 | |
| 328 | V | A | -1.7354 | |
| 329 | R | A | -2.6520 | |
| 330 | E | A | -2.4994 | |
| 331 | G | A | -1.7221 | |
| 332 | I | A | -1.2959 | |
| 333 | A | A | -1.0146 | |
| 334 | F | A | 0.0000 | |
| 335 | R | A | -2.4724 | |
| 336 | P | A | -1.3027 | |
| 337 | A | A | -0.7431 | |
| 338 | S | A | -0.6204 | |
| 339 | K | A | -0.8124 | |
| 340 | T | A | -0.4219 | |
| 341 | F | A | 0.0000 | |
| 342 | T | A | -1.0433 | |
| 343 | V | A | 0.0000 | |
| 344 | Q | A | -2.1178 | |
| 345 | K | A | -2.2568 | |
| 346 | G | A | -1.3810 | |
| 347 | I | A | -1.2583 | |
| 348 | S | A | -1.3442 | |
| 349 | S | A | -1.5959 | |
| 350 | K | A | -2.2035 | |
| 351 | K | A | -2.0843 | |
| 352 | L | A | 0.0000 | |
| 353 | V | A | 0.3007 | |
| 354 | D | A | -0.4847 | |
| 355 | Y | A | 0.5966 | |
| 356 | I | A | 1.5652 | |
| 357 | L | A | 0.0000 | |
| 358 | G | A | 0.1505 | |
| 359 | T | A | -0.4169 | |
| 360 | Y | A | 0.0000 | |
| 361 | Q | A | -1.4681 | |
| 362 | A | A | 0.0000 | |
| 363 | I | A | -1.7076 | |
| 364 | D | A | -2.2598 | |
| 365 | E | A | -3.1594 | |
| 366 | D | A | -3.3628 | |
| 367 | T | A | -2.3842 | |
| 368 | N | A | -2.7326 | |
| 369 | K | A | -2.6444 | |
| 370 | A | A | -1.3497 | |
| 371 | A | A | -1.4842 | |
| 372 | S | A | -1.7251 | |
| 373 | N | A | -2.1510 | |
| 374 | V | A | -1.9599 | |
| 375 | K | A | -2.3914 | |
| 376 | Y | A | 0.0000 | |
| 377 | V | A | -0.0251 | |
| 378 | M | A | -0.0437 | |
| 379 | G | A | -1.0231 | |
| 380 | R | A | -2.5432 | |
| 381 | N | A | -1.9902 | |
| 382 | D | A | -2.5175 | |
| 383 | G | A | -1.5151 | |
| 384 | G | A | -0.9625 | |
| 385 | Y | A | 0.0000 | |
| 386 | L | A | 0.0000 | |
| 387 | M | A | 0.4113 | |
| 388 | I | A | 0.0000 | |
| 389 | D | A | -1.4558 | |
| 390 | S | A | -1.5683 | |
| 391 | K | A | -2.6743 | |
| 392 | T | A | -1.5720 | |
| 393 | A | A | 0.0000 | |
| 394 | E | A | -0.8149 | |
| 395 | I | A | 0.0000 | |
| 396 | K | A | 0.3262 | |
| 397 | F | A | 0.0000 | |
| 398 | V | A | 0.5051 | |
| 399 | K | A | -0.6830 | |
| 400 | N | A | -1.2473 | |
| 401 | M | A | -1.4178 | |
| 402 | N | A | -2.1525 | |
| 403 | R | A | -2.6048 | |
| 404 | D | A | -2.3763 | |
| 405 | S | A | -1.1833 | |
| 406 | T | A | -0.5751 | |
| 407 | F | A | -0.7825 | |
| 408 | I | A | -1.0719 | |
| 409 | V | A | 0.1324 | |
| 410 | N | A | -1.3950 | |
| 411 | K | A | -2.1221 | |
| 412 | T | A | -1.1589 | |
| 413 | I | A | 0.0000 | |
| 414 | T | A | -0.3137 | |
| 415 | A | A | 0.0000 | |
| 416 | E | A | 0.0000 | |
| 417 | V | A | 0.0000 | |
| 418 | L | A | -0.2070 | |
| 419 | A | A | 0.0000 | |
| 420 | I | A | -1.1064 | |
| 421 | D | A | -1.7251 | |
| 422 | E | A | -2.1832 | |
| 423 | Y | A | -0.1590 | |
| 424 | T | A | -0.7061 | |
| 425 | G | A | -1.5152 | |
| 426 | K | A | -1.9452 | |
| 427 | T | A | -0.9845 | |
| 428 | S | A | -0.4191 | |
| 429 | T | A | -0.0510 | |
| 430 | G | A | 0.0000 | |
| 431 | T | A | -0.2298 | |
| 432 | V | A | 0.0000 | |
| 433 | Y | A | 0.1307 | |
| 434 | V | A | 0.0000 | |
| 435 | R | A | -1.9027 | |
| 436 | V | A | 0.0000 | |
| 437 | P | A | -1.5342 | |
| 438 | D | A | -0.8522 | |
| 439 | F | A | 0.9643 |
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