| Chain sequence(s) |
B: EDPIFTQLAQKMAAAAEKEEVPVDLLAQYMQVEAHDWHNRVRGAILGLISAVPKVGAAISRLIGLFWPANKVDIWEALRAEEEYIRNIVQQELFEFEMRLLENDIQALETTVGRYDTAALTEKGNFLSIWISQADALYIRMRNSTNNIHLLLHMVTVSTLHLAALHERLTFGEELYGTNNSTNWTRDLVDKFETYTSDLIPNVFKRWKEWRPTQIEISAWVRRGSCGNLTCRPDVSYATTVEDKISGALFSFQATNRNSTTLFLEVCEDHKTRMVNEAIADMASCLSPTFAFHKLLPDDIQTQFSPYDRQQFGQVFRGPYSQDLSHGLWTAFKNFRSRTTRSDQTLRDRILEVIIRAGHHHVDAIQFVYDDHSNPNLTTPGTVAGNAAGGTRHQVDVRDRPIQELRMEFSSQDVLASLQLHFEDGTSTRKFGNELGWATRILTCTAPYGYRFSSWAFREDPGPYRTTAISVLRFQFTPELDMPLPASY
input PDB |
| Selected Chain(s) | B |
| 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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with B chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:12:06)
[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 | |
| 27 | E | B | -2.4857 | |
| 28 | D | B | -2.4697 | |
| 29 | P | B | -1.2952 | |
| 30 | I | B | -0.2808 | |
| 31 | F | B | 0.0475 | |
| 32 | T | B | -0.9730 | |
| 33 | Q | B | -1.2906 | |
| 34 | L | B | 0.0000 | |
| 35 | A | B | -0.7911 | |
| 36 | Q | B | -1.6711 | |
| 37 | K | B | -1.6913 | |
| 38 | M | B | -1.1041 | |
| 39 | A | B | -1.2403 | |
| 40 | A | B | -1.5404 | |
| 41 | A | B | -1.7404 | |
| 42 | A | B | -2.0235 | |
| 43 | E | B | -3.2198 | |
| 44 | K | B | -3.4806 | |
| 45 | E | B | -3.0822 | |
| 46 | E | B | -2.3361 | |
| 47 | V | B | -0.1555 | |
| 48 | P | B | -0.8453 | |
| 49 | V | B | -0.8258 | |
| 50 | D | B | -1.2982 | |
| 51 | L | B | -0.7356 | |
| 52 | L | B | 0.2100 | |
| 53 | A | B | -0.3813 | |
| 54 | Q | B | -1.0191 | |
| 55 | Y | B | 0.0956 | |
| 56 | M | B | 0.2165 | |
| 57 | Q | B | -0.9549 | |
| 58 | V | B | -0.5795 | |
| 59 | E | B | -1.2935 | |
| 60 | A | B | -1.0715 | |
| 61 | H | B | 0.0000 | |
| 62 | D | B | -0.5607 | |
| 63 | W | B | 0.0000 | |
| 64 | H | B | 0.0000 | |
| 65 | N | B | 0.0000 | |
| 66 | R | B | 0.0000 | |
| 67 | V | B | 0.0000 | |
| 68 | R | B | 0.0000 | |
| 69 | G | B | -0.0060 | |
| 70 | A | B | 0.0000 | |
| 71 | I | B | 0.0000 | |
| 72 | L | B | 0.5972 | |
| 73 | G | B | 0.1838 | |
| 74 | L | B | 0.0000 | |
| 75 | I | B | 1.0647 | |
| 76 | S | B | 0.7142 | |
| 77 | A | B | 0.4574 | |
| 78 | V | B | 1.3147 | |
| 79 | P | B | -0.0385 | |
| 80 | K | B | -1.2384 | |
| 81 | V | B | -0.7583 | |
| 82 | G | B | -0.7634 | |
| 83 | A | B | -0.8725 | |
| 84 | A | B | 0.0000 | |
| 85 | I | B | 0.0000 | |
| 86 | S | B | -1.1426 | |
| 87 | R | B | -1.8559 | |
| 88 | L | B | 0.0000 | |
| 89 | I | B | -0.6258 | |
| 90 | G | B | -0.8066 | |
| 91 | L | B | -0.3750 | |
| 92 | F | B | 0.0000 | |
| 93 | W | B | -0.2604 | |
| 94 | P | B | -0.6994 | |
| 95 | A | B | -0.9211 | |
| 96 | N | B | -1.8481 | |
| 97 | K | B | -1.8853 | |
| 98 | V | B | -0.3490 | |
| 99 | D | B | -1.0689 | |
| 100 | I | B | 0.0000 | |
| 101 | W | B | -0.7458 | |
| 102 | E | B | -1.7338 | |
| 103 | A | B | 0.0000 | |
| 104 | L | B | 0.0000 | |
| 105 | R | B | -1.5870 | |
| 106 | A | B | -1.2860 | |
| 107 | E | B | 0.0000 | |
| 108 | E | B | -1.9992 | |
| 109 | Y | B | -1.1728 | |
| 110 | I | B | 0.0000 | |
| 111 | R | B | -2.4022 | |
| 112 | N | B | -1.4527 | |
| 113 | I | B | 0.0000 | |
| 114 | V | B | 0.0000 | |
| 115 | Q | B | -1.4384 | |
| 116 | Q | B | -1.7943 | |
| 117 | E | B | -1.6942 | |
| 118 | L | B | -0.3891 | |
| 119 | F | B | 0.0000 | |
| 120 | E | B | -0.5916 | |
| 121 | F | B | 0.7808 | |
| 122 | E | B | 0.0000 | |
| 123 | M | B | -0.7920 | |
| 124 | R | B | -1.5112 | |
| 125 | L | B | -0.0959 | |
| 126 | L | B | 0.0000 | |
| 127 | E | B | -3.1645 | |
| 128 | N | B | -3.0028 | |
| 129 | D | B | -2.2750 | |
| 130 | I | B | 0.0000 | |
| 131 | Q | B | -2.5874 | |
| 132 | A | B | -1.5756 | |
| 133 | L | B | 0.0000 | |
| 134 | E | B | -1.4783 | |
| 135 | T | B | -1.2159 | |
| 136 | T | B | 0.0000 | |
| 137 | V | B | 0.0000 | |
| 138 | G | B | -1.4194 | |
| 139 | R | B | -2.4872 | |
| 140 | Y | B | 0.0000 | |
| 141 | D | B | -1.1610 | |
| 142 | T | B | -1.1061 | |
| 143 | A | B | -0.9935 | |
| 144 | A | B | -0.4104 | |
| 145 | L | B | -0.1430 | |
| 146 | T | B | -0.8610 | |
| 147 | E | B | -1.7287 | |
| 148 | K | B | 0.0000 | |
| 149 | G | B | 0.0000 | |
| 150 | N | B | -1.5230 | |
| 151 | F | B | -0.8961 | |
| 152 | L | B | 0.0000 | |
| 153 | S | B | -0.0995 | |
| 154 | I | B | 0.3793 | |
| 155 | W | B | 0.0000 | |
| 156 | I | B | 0.1852 | |
| 157 | S | B | -0.1218 | |
| 158 | Q | B | -0.4196 | |
| 159 | A | B | 0.0000 | |
| 160 | D | B | -0.4380 | |
| 161 | A | B | -0.4442 | |
| 162 | L | B | 0.0000 | |
| 163 | Y | B | 0.0000 | |
| 164 | I | B | -0.4765 | |
| 165 | R | B | -1.1169 | |
| 166 | M | B | 0.0000 | |
| 167 | R | B | -1.3965 | |
| 168 | N | B | -1.7880 | |
| 169 | S | B | -1.1213 | |
| 170 | T | B | -0.6534 | |
| 171 | N | B | -0.3079 | |
| 172 | N | B | -0.9675 | |
| 173 | I | B | 0.0000 | |
| 174 | H | B | 0.0000 | |
| 175 | L | B | 0.0000 | |
| 176 | L | B | 0.0000 | |
| 177 | L | B | 0.0000 | |
| 178 | H | B | 0.0000 | |
| 179 | M | B | 0.0000 | |
| 180 | V | B | 0.0000 | |
| 181 | T | B | 0.0000 | |
| 182 | V | B | 0.0000 | |
| 183 | S | B | 0.0000 | |
| 184 | T | B | 0.0000 | |
| 185 | L | B | 0.0000 | |
| 186 | H | B | 0.0000 | |
| 187 | L | B | 0.0000 | |
| 188 | A | B | 0.0000 | |
| 189 | A | B | 0.0000 | |
| 190 | L | B | 0.0000 | |
| 191 | H | B | -0.1506 | |
| 192 | E | B | 0.0000 | |
| 193 | R | B | -0.8135 | |
| 194 | L | B | -0.9573 | |
| 195 | T | B | -0.7273 | |
| 196 | F | B | -1.3819 | |
| 197 | G | B | 0.0000 | |
| 198 | E | B | -3.2993 | |
| 199 | E | B | -2.7802 | |
| 200 | L | B | 0.0000 | |
| 201 | Y | B | -1.5293 | |
| 202 | G | B | -1.9519 | |
| 203 | T | B | -1.8281 | |
| 204 | N | B | -2.5920 | |
| 205 | N | B | -1.9097 | |
| 206 | S | B | -1.7036 | |
| 207 | T | B | -1.4326 | |
| 208 | N | B | -1.9895 | |
| 209 | W | B | 0.0000 | |
| 210 | T | B | -1.8091 | |
| 211 | R | B | -3.1614 | |
| 212 | D | B | -3.0869 | |
| 213 | L | B | 0.0000 | |
| 214 | V | B | -2.0830 | |
| 215 | D | B | -3.1554 | |
| 216 | K | B | -2.2287 | |
| 217 | F | B | 0.0000 | |
| 218 | E | B | -2.0282 | |
| 219 | T | B | -1.3752 | |
| 220 | Y | B | 0.0000 | |
| 221 | T | B | 0.0000 | |
| 222 | S | B | -1.3689 | |
| 223 | D | B | -1.4130 | |
| 224 | L | B | -0.8732 | |
| 225 | I | B | 0.0000 | |
| 226 | P | B | 0.0000 | |
| 227 | N | B | -1.8309 | |
| 228 | V | B | 0.0000 | |
| 229 | F | B | 0.0000 | |
| 230 | K | B | -2.6151 | |
| 231 | R | B | -2.6602 | |
| 232 | W | B | 0.0000 | |
| 233 | K | B | -2.0976 | |
| 234 | E | B | -2.6898 | |
| 235 | W | B | -1.3667 | |
| 236 | R | B | 0.0000 | |
| 237 | P | B | -0.9899 | |
| 238 | T | B | -1.0287 | |
| 239 | Q | B | -1.2390 | |
| 240 | I | B | 0.0000 | |
| 241 | E | B | -1.8835 | |
| 242 | I | B | -0.5555 | |
| 243 | S | B | 0.0429 | |
| 244 | A | B | 0.7663 | |
| 245 | W | B | 0.5384 | |
| 246 | V | B | -0.9440 | |
| 247 | R | B | -2.5446 | |
| 248 | R | B | -3.4783 | |
| 249 | G | B | -2.5158 | |
| 250 | S | B | -1.2624 | |
| 251 | C | B | 0.1991 | |
| 252 | G | B | -0.5192 | |
| 253 | N | B | -0.5265 | |
| 254 | L | B | 0.8400 | |
| 255 | T | B | 0.2282 | |
| 256 | C | B | -0.0087 | |
| 257 | R | B | -2.0241 | |
| 258 | P | B | -2.4267 | |
| 259 | D | B | -3.3700 | |
| 260 | V | B | 0.0000 | |
| 261 | S | B | 0.0000 | |
| 262 | Y | B | -0.0795 | |
| 263 | A | B | 0.0000 | |
| 264 | T | B | 0.3331 | |
| 265 | V | B | 0.0000 | |
| 266 | E | B | -1.2298 | |
| 267 | D | B | 0.0000 | |
| 268 | K | B | -2.1595 | |
| 269 | I | B | -1.3714 | |
| 270 | S | B | -1.1966 | |
| 271 | G | B | -1.1798 | |
| 272 | A | B | -0.2129 | |
| 273 | L | B | 0.5287 | |
| 274 | F | B | 0.8590 | |
| 275 | S | B | 0.6506 | |
| 276 | F | B | 0.0000 | |
| 277 | Q | B | 0.2436 | |
| 278 | A | B | 0.0000 | |
| 279 | T | B | -1.7838 | |
| 280 | N | B | -3.1317 | |
| 281 | R | B | -3.3805 | |
| 282 | N | B | -2.9555 | |
| 283 | S | B | -1.0969 | |
| 284 | T | B | 0.0274 | |
| 285 | T | B | -0.1048 | |
| 286 | L | B | -0.1771 | |
| 287 | F | B | 0.0000 | |
| 288 | L | B | -0.6418 | |
| 289 | E | B | -2.2940 | |
| 290 | V | B | 0.0000 | |
| 291 | C | B | 0.0000 | |
| 292 | E | B | -2.3276 | |
| 293 | D | B | -2.0274 | |
| 294 | H | B | 0.0000 | |
| 295 | K | B | -1.5306 | |
| 296 | T | B | -1.0972 | |
| 297 | R | B | -1.0014 | |
| 298 | M | B | 0.0000 | |
| 299 | V | B | -0.1932 | |
| 300 | N | B | -0.1887 | |
| 301 | E | B | -0.2404 | |
| 302 | A | B | 0.0000 | |
| 303 | I | B | 0.0413 | |
| 304 | A | B | 0.0000 | |
| 305 | D | B | 0.0000 | |
| 306 | M | B | 0.0000 | |
| 307 | A | B | 0.0000 | |
| 308 | S | B | 0.0000 | |
| 309 | C | B | 0.0000 | |
| 310 | L | B | 0.0000 | |
| 311 | S | B | 0.0000 | |
| 312 | P | B | 0.0000 | |
| 313 | T | B | 0.0000 | |
| 314 | F | B | 0.0000 | |
| 315 | A | B | 0.0000 | |
| 316 | F | B | 0.0000 | |
| 317 | H | B | -0.6804 | |
| 318 | K | B | -0.7677 | |
| 319 | L | B | 0.0000 | |
| 320 | L | B | 0.0000 | |
| 321 | P | B | -1.5326 | |
| 322 | D | B | -2.7680 | |
| 323 | D | B | -2.7088 | |
| 324 | I | B | -1.4212 | |
| 325 | Q | B | -1.6238 | |
| 326 | T | B | -1.2202 | |
| 327 | Q | B | -1.2971 | |
| 328 | F | B | -0.5195 | |
| 329 | S | B | -0.9041 | |
| 330 | P | B | -0.7613 | |
| 331 | Y | B | 0.0000 | |
| 332 | D | B | -1.9837 | |
| 333 | R | B | -2.8541 | |
| 334 | Q | B | -2.4108 | |
| 335 | Q | B | -1.8942 | |
| 336 | F | B | 0.0000 | |
| 337 | G | B | 0.0000 | |
| 338 | Q | B | -1.3334 | |
| 339 | V | B | 0.0000 | |
| 340 | F | B | 0.0089 | |
| 341 | R | B | 0.0000 | |
| 342 | G | B | 0.0000 | |
| 343 | P | B | 0.0000 | |
| 344 | Y | B | 0.0000 | |
| 345 | S | B | 0.0000 | |
| 346 | Q | B | -0.6866 | |
| 347 | D | B | 0.0000 | |
| 348 | L | B | 0.0000 | |
| 349 | S | B | -0.2149 | |
| 350 | H | B | -0.4637 | |
| 351 | G | B | 0.6030 | |
| 352 | L | B | 1.4888 | |
| 353 | W | B | 0.8900 | |
| 354 | T | B | 0.5260 | |
| 355 | A | B | 0.4923 | |
| 356 | F | B | 0.9661 | |
| 357 | K | B | -0.1118 | |
| 358 | N | B | -1.0215 | |
| 359 | F | B | -0.8588 | |
| 360 | R | B | -1.2417 | |
| 361 | S | B | 0.0000 | |
| 362 | R | B | -2.5362 | |
| 363 | T | B | 0.0000 | |
| 364 | T | B | -1.7452 | |
| 365 | R | B | -2.4857 | |
| 366 | S | B | -1.2773 | |
| 367 | D | B | 0.0000 | |
| 368 | Q | B | -0.2999 | |
| 369 | T | B | -0.0197 | |
| 370 | L | B | 0.7759 | |
| 371 | R | B | -0.8420 | |
| 372 | D | B | -1.3522 | |
| 373 | R | B | -1.8886 | |
| 374 | I | B | 0.0000 | |
| 375 | L | B | -1.5772 | |
| 376 | E | B | -1.3617 | |
| 377 | V | B | 0.0000 | |
| 378 | I | B | 0.0000 | |
| 379 | I | B | 0.0000 | |
| 380 | R | B | -1.5670 | |
| 381 | A | B | 0.0000 | |
| 382 | G | B | -1.3882 | |
| 383 | H | B | -1.1812 | |
| 384 | H | B | 0.0000 | |
| 385 | V | B | 0.0000 | |
| 386 | D | B | -0.9358 | |
| 387 | A | B | 0.0000 | |
| 388 | I | B | 0.0000 | |
| 389 | Q | B | -0.1100 | |
| 390 | F | B | 0.0000 | |
| 391 | V | B | 0.0000 | |
| 392 | Y | B | 0.0000 | |
| 393 | D | B | -1.4664 | |
| 394 | H | B | -1.0275 | |
| 395 | S | B | -0.8656 | |
| 396 | N | B | -0.9911 | |
| 397 | P | B | -1.0392 | |
| 398 | N | B | -1.1752 | |
| 399 | L | B | 0.0181 | |
| 400 | T | B | -0.3791 | |
| 401 | T | B | -0.5082 | |
| 402 | P | B | -0.2319 | |
| 403 | G | B | -0.1378 | |
| 404 | T | B | -0.0073 | |
| 405 | V | B | 0.7557 | |
| 406 | A | B | 0.0000 | |
| 407 | G | B | -0.4384 | |
| 408 | N | B | -0.4134 | |
| 409 | A | B | -0.2447 | |
| 410 | A | B | -0.4339 | |
| 411 | G | B | -0.7400 | |
| 412 | G | B | -1.2737 | |
| 413 | T | B | -1.4537 | |
| 414 | R | B | -2.4754 | |
| 415 | H | B | -1.9750 | |
| 416 | Q | B | -1.9894 | |
| 417 | V | B | 0.0000 | |
| 418 | D | B | -1.9675 | |
| 419 | V | B | 0.0000 | |
| 420 | R | B | -3.2358 | |
| 421 | D | B | -3.2304 | |
| 422 | R | B | -3.0033 | |
| 423 | P | B | -2.3117 | |
| 424 | I | B | 0.0000 | |
| 425 | Q | B | -1.3862 | |
| 426 | E | B | -1.1247 | |
| 427 | L | B | 0.0000 | |
| 428 | R | B | -0.9923 | |
| 429 | M | B | 0.0000 | |
| 430 | E | B | 0.1152 | |
| 431 | F | B | 0.0000 | |
| 432 | S | B | 0.0000 | |
| 433 | Q | B | -1.5507 | |
| 434 | D | B | -1.1829 | |
| 435 | V | B | 0.0000 | |
| 436 | L | B | 0.0000 | |
| 437 | A | B | 0.0000 | |
| 438 | S | B | 0.0000 | |
| 439 | L | B | 0.0000 | |
| 440 | Q | B | -1.5118 | |
| 441 | L | B | 0.0000 | |
| 442 | H | B | -1.6964 | |
| 443 | F | B | 0.0000 | |
| 444 | E | B | -2.7764 | |
| 445 | D | B | -2.6349 | |
| 446 | G | B | -1.8776 | |
| 447 | T | B | -0.9131 | |
| 448 | S | B | -1.0419 | |
| 449 | T | B | -1.0278 | |
| 450 | R | B | -2.1689 | |
| 451 | K | B | -1.9266 | |
| 452 | F | B | 0.0000 | |
| 453 | G | B | 0.0000 | |
| 454 | N | B | 0.0000 | |
| 455 | E | B | -1.2006 | |
| 456 | L | B | 0.7427 | |
| 457 | G | B | 0.3332 | |
| 458 | W | B | 0.9328 | |
| 459 | A | B | 0.5187 | |
| 460 | T | B | -0.2830 | |
| 461 | R | B | -0.4151 | |
| 462 | I | B | 1.2288 | |
| 463 | L | B | 0.5983 | |
| 464 | T | B | -0.0766 | |
| 465 | C | B | 0.0000 | |
| 466 | T | B | -0.3934 | |
| 467 | A | B | 0.0000 | |
| 468 | P | B | 0.0000 | |
| 469 | Y | B | 0.1027 | |
| 470 | G | B | 0.0000 | |
| 471 | Y | B | 0.0000 | |
| 472 | R | B | -0.6666 | |
| 473 | F | B | 0.0000 | |
| 474 | S | B | 0.0000 | |
| 475 | S | B | 0.0000 | |
| 476 | W | B | 0.0000 | |
| 477 | A | B | 0.0000 | |
| 478 | F | B | 0.0000 | |
| 479 | R | B | -1.9463 | |
| 480 | E | B | -1.6288 | |
| 481 | D | B | -1.1649 | |
| 482 | P | B | -1.0379 | |
| 483 | G | B | -0.9936 | |
| 484 | P | B | -0.6966 | |
| 485 | Y | B | -0.1935 | |
| 486 | R | B | -1.5630 | |
| 487 | T | B | -0.8759 | |
| 488 | T | B | -0.8559 | |
| 489 | A | B | 0.0000 | |
| 490 | I | B | 0.0000 | |
| 491 | S | B | 0.0000 | |
| 492 | V | B | 0.0000 | |
| 493 | L | B | 0.0000 | |
| 494 | R | B | -0.9045 | |
| 495 | F | B | 0.0000 | |
| 496 | Q | B | 0.0000 | |
| 497 | F | B | 0.0000 | |
| 498 | T | B | 0.0000 | |
| 499 | P | B | 0.0000 | |
| 500 | E | B | -0.6051 | |
| 501 | L | B | -0.4406 | |
| 502 | D | B | -1.5140 | |
| 503 | M | B | -0.7963 | |
| 504 | P | B | -0.4930 | |
| 505 | L | B | 0.1318 | |
| 506 | P | B | -0.0389 | |
| 507 | A | B | 0.0886 | |
| 508 | S | B | 0.0816 | |
| 509 | Y | B | 0.2036 |
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