| Chain sequence(s) |
B: EDPIFTQLAQKMAAAAEKEEVPVDLLAQYMQVEAHDWHNQVQGAILGLISAVPKVGAAISRLIGLFWPANKVDIWEALRAEEEYIRNIVQQELFEFEMRLLENDIQALETTVGRYDTAALTEKGNFLSIWISQADALYIRMRNSTNNIHLLLHMVTVSTLHLAALHERLTFGEELYGTNNSTNWTRDLVDKFETYTSDLIPNVFKRWKEWRPTQIEISAWVRRGSCGNLTCRPDVSYATTVEDKISGALFSFQATNRNSTTLFLEVCEDHKTRMVNEAIADMASCLSPTFAFHKLLPDDIQTQFSPYDRQQFGQVFRGPYSQDLSHGLWTAFKNFRSRTTRSDQTLRDRILEVIIRAGHHHVDAIQFVYDDHSNPNLTTPGTVAGNAAGGTRHQVDVRDRPIQELRMEFSSQDVLASLQLHFEDGTSTRKFGNELGWATRILTCTAPYGYRFSSWAFREDPGPYRTTAISVLRFQFTPELDMPLPASY
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 (00:11:27)
[INFO] Main: Simulation completed successfully. (00:11:33)
|
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 | -0.2827 | |
| 31 | F | B | 0.0458 | |
| 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 | -0.1527 | |
| 48 | P | B | -0.8453 | |
| 49 | V | B | -0.8260 | |
| 50 | D | B | -1.3006 | |
| 51 | L | B | -0.7081 | |
| 52 | L | B | 0.2459 | |
| 53 | A | B | -0.2559 | |
| 54 | Q | B | -0.8608 | |
| 55 | Y | B | 0.3005 | |
| 56 | M | B | 0.5312 | |
| 57 | Q | B | -0.4150 | |
| 58 | V | B | -0.2018 | |
| 59 | E | B | -0.6178 | |
| 60 | A | B | -0.5275 | |
| 61 | H | B | 0.0000 | |
| 62 | D | B | -0.2371 | |
| 63 | W | B | 0.0000 | |
| 64 | H | B | 0.0000 | |
| 65 | N | B | 0.0000 | |
| 66 | Q | B | 0.0000 | |
| 67 | V | B | 0.0000 | |
| 68 | Q | B | 0.0559 | |
| 69 | G | B | -0.0851 | |
| 70 | A | B | 0.0000 | |
| 71 | I | B | 0.0000 | |
| 72 | L | B | 0.4022 | |
| 73 | G | B | 0.0875 | |
| 74 | L | B | 0.0000 | |
| 75 | I | B | 0.8067 | |
| 76 | S | B | 0.6173 | |
| 77 | A | B | 0.3991 | |
| 78 | V | B | 1.2839 | |
| 79 | P | B | -0.0669 | |
| 80 | K | B | -1.2395 | |
| 81 | V | B | -0.7625 | |
| 82 | G | B | -0.7676 | |
| 83 | A | B | -0.8747 | |
| 84 | A | B | 0.0000 | |
| 85 | I | B | 0.0000 | |
| 86 | S | B | -1.1456 | |
| 87 | R | B | -1.8574 | |
| 88 | L | B | 0.0000 | |
| 89 | I | B | -0.6296 | |
| 90 | G | B | -0.8132 | |
| 91 | L | B | -0.3845 | |
| 92 | F | B | 0.0000 | |
| 93 | W | B | -0.2740 | |
| 94 | P | B | -0.7216 | |
| 95 | A | B | -0.9336 | |
| 96 | N | B | -1.8587 | |
| 97 | K | B | -1.9020 | |
| 98 | V | B | -0.3732 | |
| 99 | D | B | -1.0776 | |
| 100 | I | B | 0.0000 | |
| 101 | W | B | -0.7346 | |
| 102 | E | B | -1.7097 | |
| 103 | A | B | 0.0000 | |
| 104 | L | B | 0.0000 | |
| 105 | R | B | -1.4996 | |
| 106 | A | B | -1.0574 | |
| 107 | E | B | 0.0000 | |
| 108 | E | B | -1.3032 | |
| 109 | Y | B | 0.0000 | |
| 110 | I | B | 0.0000 | |
| 111 | R | B | -2.3019 | |
| 112 | N | B | -1.3893 | |
| 113 | I | B | 0.0000 | |
| 114 | V | B | 0.0000 | |
| 115 | Q | B | -1.4088 | |
| 116 | Q | B | -1.7801 | |
| 117 | E | B | -1.6858 | |
| 118 | L | B | -0.3789 | |
| 119 | F | B | 0.0000 | |
| 120 | E | B | -0.5883 | |
| 121 | F | B | 0.7787 | |
| 122 | E | B | 0.0000 | |
| 123 | M | B | -0.7875 | |
| 124 | R | B | -1.5031 | |
| 125 | L | B | -0.0769 | |
| 126 | L | B | 0.0000 | |
| 127 | E | B | -3.1624 | |
| 128 | N | B | -3.0060 | |
| 129 | D | B | -2.2864 | |
| 130 | I | B | 0.0000 | |
| 131 | Q | B | -2.5929 | |
| 132 | A | B | -1.5800 | |
| 133 | L | B | 0.0000 | |
| 134 | E | B | -1.4809 | |
| 135 | T | B | -1.2187 | |
| 136 | T | B | 0.0000 | |
| 137 | V | B | 0.0000 | |
| 138 | G | B | -1.4217 | |
| 139 | R | B | -2.4899 | |
| 140 | Y | B | 0.0000 | |
| 141 | D | B | -1.1681 | |
| 142 | T | B | -1.1108 | |
| 143 | A | B | -0.9987 | |
| 144 | A | B | -0.4167 | |
| 145 | L | B | -0.1529 | |
| 146 | T | B | -0.8676 | |
| 147 | E | B | -1.7375 | |
| 148 | K | B | 0.0000 | |
| 149 | G | B | 0.0000 | |
| 150 | N | B | -1.5200 | |
| 151 | F | B | -0.8913 | |
| 152 | L | B | 0.0000 | |
| 153 | S | B | -0.0935 | |
| 154 | I | B | 0.3940 | |
| 155 | W | B | 0.0000 | |
| 156 | I | B | 0.1844 | |
| 157 | S | B | -0.1186 | |
| 158 | Q | B | -0.4183 | |
| 159 | A | B | 0.0000 | |
| 160 | D | B | -0.4346 | |
| 161 | A | B | -0.4438 | |
| 162 | L | B | 0.0000 | |
| 163 | Y | B | 0.0000 | |
| 164 | I | B | -0.4723 | |
| 165 | R | B | -1.1082 | |
| 166 | M | B | 0.0000 | |
| 167 | R | B | -1.3942 | |
| 168 | N | B | -1.7856 | |
| 169 | S | B | -1.1194 | |
| 170 | T | B | -0.6524 | |
| 171 | N | B | -0.3059 | |
| 172 | N | B | -0.9663 | |
| 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 | -0.1720 | |
| 192 | E | B | 0.0000 | |
| 193 | R | B | -0.7957 | |
| 194 | L | B | -0.9273 | |
| 195 | T | B | -0.7276 | |
| 196 | F | B | -1.3820 | |
| 197 | G | B | 0.0000 | |
| 198 | E | B | -3.2638 | |
| 199 | E | B | -2.7816 | |
| 200 | L | B | 0.0000 | |
| 201 | Y | B | -1.5071 | |
| 202 | G | B | -1.9293 | |
| 203 | T | B | -1.7779 | |
| 204 | N | B | -2.4980 | |
| 205 | N | B | -1.7114 | |
| 206 | S | B | -1.6063 | |
| 207 | T | B | -1.3634 | |
| 208 | N | B | -1.9130 | |
| 209 | W | B | 0.0000 | |
| 210 | T | B | -1.7769 | |
| 211 | R | B | -3.1580 | |
| 212 | D | B | -3.0856 | |
| 213 | L | B | 0.0000 | |
| 214 | V | B | -2.0731 | |
| 215 | D | B | -3.1479 | |
| 216 | K | B | -2.2188 | |
| 217 | F | B | 0.0000 | |
| 218 | E | B | -1.9954 | |
| 219 | T | B | -1.3552 | |
| 220 | Y | B | 0.0000 | |
| 221 | T | B | 0.0000 | |
| 222 | S | B | -1.3597 | |
| 223 | D | B | -1.4046 | |
| 224 | L | B | -0.8811 | |
| 225 | I | B | 0.0000 | |
| 226 | P | B | 0.0000 | |
| 227 | N | B | -1.8848 | |
| 228 | V | B | 0.0000 | |
| 229 | F | B | 0.0000 | |
| 230 | K | B | -2.6550 | |
| 231 | R | B | -2.6825 | |
| 232 | W | B | 0.0000 | |
| 233 | K | B | -2.0959 | |
| 234 | E | B | -2.6907 | |
| 235 | W | B | -1.3682 | |
| 236 | R | B | 0.0000 | |
| 237 | P | B | -0.9850 | |
| 238 | T | B | -1.0289 | |
| 239 | Q | B | -1.2316 | |
| 240 | I | B | 0.0000 | |
| 241 | E | B | -1.9402 | |
| 242 | I | B | -0.6593 | |
| 243 | S | B | 0.0116 | |
| 244 | A | B | 0.7347 | |
| 245 | W | B | 0.5379 | |
| 246 | V | B | -0.9430 | |
| 247 | R | B | -2.5445 | |
| 248 | R | B | -3.4781 | |
| 249 | G | B | -2.5155 | |
| 250 | S | B | -1.2622 | |
| 251 | C | B | 0.1992 | |
| 252 | G | B | -0.5192 | |
| 253 | N | B | -0.5265 | |
| 254 | L | B | 0.8400 | |
| 255 | T | B | 0.2283 | |
| 256 | C | B | -0.0085 | |
| 257 | R | B | -2.0238 | |
| 258 | P | B | -2.4260 | |
| 259 | D | B | -3.3696 | |
| 260 | V | B | 0.0000 | |
| 261 | S | B | 0.0000 | |
| 262 | Y | B | -0.0778 | |
| 263 | A | B | 0.0000 | |
| 264 | T | B | 0.2913 | |
| 265 | V | B | 0.0000 | |
| 266 | E | B | -1.2478 | |
| 267 | D | B | 0.0000 | |
| 268 | K | B | -2.1567 | |
| 269 | I | B | -1.3388 | |
| 270 | S | B | -1.1844 | |
| 271 | G | B | -1.1902 | |
| 272 | A | B | -0.2531 | |
| 273 | L | B | 0.4238 | |
| 274 | F | B | 0.8061 | |
| 275 | S | B | 0.6280 | |
| 276 | F | B | 0.0000 | |
| 277 | Q | B | 0.1860 | |
| 278 | A | B | 0.0000 | |
| 279 | T | B | -1.8252 | |
| 280 | N | B | -3.1316 | |
| 281 | R | B | -3.4151 | |
| 282 | N | B | -2.9534 | |
| 283 | S | B | -1.1052 | |
| 284 | T | B | 0.0111 | |
| 285 | T | B | -0.1413 | |
| 286 | L | B | -0.2538 | |
| 287 | F | B | 0.0000 | |
| 288 | L | B | -0.8632 | |
| 289 | E | B | -2.4672 | |
| 290 | V | B | 0.0000 | |
| 291 | C | B | 0.0000 | |
| 292 | E | B | -2.6937 | |
| 293 | D | B | -2.2007 | |
| 294 | H | B | 0.0000 | |
| 295 | K | B | -1.6262 | |
| 296 | T | B | -1.1683 | |
| 297 | R | B | -1.0383 | |
| 298 | M | B | 0.0000 | |
| 299 | V | B | -0.1803 | |
| 300 | N | B | -0.1804 | |
| 301 | E | B | -0.2537 | |
| 302 | A | B | 0.0000 | |
| 303 | I | B | 0.0471 | |
| 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 | -0.3993 | |
| 316 | F | B | 0.0000 | |
| 317 | H | B | -0.8367 | |
| 318 | K | B | -1.1654 | |
| 319 | L | B | 0.0000 | |
| 320 | L | B | 0.0000 | |
| 321 | P | B | -1.5931 | |
| 322 | D | B | -2.8247 | |
| 323 | D | B | -2.6977 | |
| 324 | I | B | -1.3986 | |
| 325 | Q | B | -1.6837 | |
| 326 | T | B | -1.2119 | |
| 327 | Q | B | -1.2892 | |
| 328 | F | B | -0.5100 | |
| 329 | S | B | -0.9010 | |
| 330 | P | B | -0.7976 | |
| 331 | Y | B | 0.0000 | |
| 332 | D | B | -1.9883 | |
| 333 | R | B | -2.8548 | |
| 334 | Q | B | -2.4080 | |
| 335 | Q | B | -1.8941 | |
| 336 | F | B | 0.0000 | |
| 337 | G | B | 0.0000 | |
| 338 | Q | B | -1.3401 | |
| 339 | V | B | 0.0000 | |
| 340 | F | B | 0.0056 | |
| 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 | -0.6889 | |
| 347 | D | B | 0.0000 | |
| 348 | L | B | 0.0000 | |
| 349 | S | B | -0.2206 | |
| 350 | H | B | -0.4821 | |
| 351 | G | B | 0.5720 | |
| 352 | L | B | 1.4698 | |
| 353 | W | B | 0.8199 | |
| 354 | T | B | 0.4575 | |
| 355 | A | B | 0.3269 | |
| 356 | F | B | 0.6215 | |
| 357 | K | B | -0.3410 | |
| 358 | N | B | -1.1333 | |
| 359 | F | B | -0.9525 | |
| 360 | R | B | -1.2886 | |
| 361 | S | B | 0.0000 | |
| 362 | R | B | -2.5489 | |
| 363 | T | B | 0.0000 | |
| 364 | T | B | -1.7523 | |
| 365 | R | B | -2.4976 | |
| 366 | S | B | -1.3008 | |
| 367 | D | B | 0.0000 | |
| 368 | Q | B | -0.3233 | |
| 369 | T | B | 0.0264 | |
| 370 | L | B | 0.9201 | |
| 371 | R | B | -0.4603 | |
| 372 | D | B | -1.1121 | |
| 373 | R | B | -1.6616 | |
| 374 | I | B | -1.1099 | |
| 375 | L | B | -1.3826 | |
| 376 | E | B | -1.2450 | |
| 377 | V | B | 0.0000 | |
| 378 | I | B | 0.0000 | |
| 379 | I | B | 0.0000 | |
| 380 | R | B | -1.5562 | |
| 381 | A | B | 0.0000 | |
| 382 | G | B | -1.3714 | |
| 383 | H | B | -1.1660 | |
| 384 | H | B | 0.0000 | |
| 385 | V | B | 0.0000 | |
| 386 | D | B | -0.9283 | |
| 387 | A | B | 0.0000 | |
| 388 | I | B | 0.0000 | |
| 389 | Q | B | -0.0995 | |
| 390 | F | B | 0.0000 | |
| 391 | V | B | 0.0000 | |
| 392 | Y | B | 0.0000 | |
| 393 | D | B | -1.0976 | |
| 394 | H | B | -0.8560 | |
| 395 | S | B | -0.7839 | |
| 396 | N | B | -0.9514 | |
| 397 | P | B | -0.9921 | |
| 398 | N | B | -1.1490 | |
| 399 | L | B | 0.0514 | |
| 400 | T | B | -0.2504 | |
| 401 | T | B | -0.3829 | |
| 402 | P | B | -0.1858 | |
| 403 | G | B | -0.1001 | |
| 404 | T | B | -0.0208 | |
| 405 | V | B | 0.7599 | |
| 406 | A | B | 0.0000 | |
| 407 | G | B | -0.4384 | |
| 408 | N | B | -0.4131 | |
| 409 | A | B | -0.2425 | |
| 410 | A | B | -0.4324 | |
| 411 | G | B | -0.7321 | |
| 412 | G | B | -1.2554 | |
| 413 | T | B | -1.4421 | |
| 414 | R | B | -2.4673 | |
| 415 | H | B | -1.9595 | |
| 416 | Q | B | -1.9753 | |
| 417 | V | B | 0.0000 | |
| 418 | D | B | -1.8871 | |
| 419 | V | B | 0.0000 | |
| 420 | R | B | -3.1755 | |
| 421 | D | B | -3.2140 | |
| 422 | R | B | -2.9831 | |
| 423 | P | B | -2.2635 | |
| 424 | I | B | 0.0000 | |
| 425 | Q | B | -1.3904 | |
| 426 | E | B | -1.1272 | |
| 427 | L | B | 0.0000 | |
| 428 | R | B | -0.9918 | |
| 429 | M | B | 0.0000 | |
| 430 | E | B | 0.1194 | |
| 431 | F | B | 0.0000 | |
| 432 | S | B | 0.0000 | |
| 433 | Q | B | -1.5453 | |
| 434 | D | B | -1.1751 | |
| 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 | -1.5045 | |
| 441 | L | B | 0.0000 | |
| 442 | H | B | -1.6938 | |
| 443 | F | B | 0.0000 | |
| 444 | E | B | -2.7768 | |
| 445 | D | B | -2.6335 | |
| 446 | G | B | -1.8788 | |
| 447 | T | B | -0.9136 | |
| 448 | S | B | -1.0361 | |
| 449 | T | B | -1.0141 | |
| 450 | R | B | -2.1460 | |
| 451 | K | B | -1.9239 | |
| 452 | F | B | 0.0000 | |
| 453 | G | B | 0.0000 | |
| 454 | N | B | 0.0000 | |
| 455 | E | B | -1.2483 | |
| 456 | L | B | 0.7168 | |
| 457 | G | B | 0.3183 | |
| 458 | W | B | 0.9270 | |
| 459 | A | B | 0.5217 | |
| 460 | T | B | -0.2771 | |
| 461 | R | B | -0.4038 | |
| 462 | I | B | 1.2358 | |
| 463 | L | B | 0.6036 | |
| 464 | T | B | -0.0757 | |
| 465 | C | B | 0.0000 | |
| 466 | T | B | -0.3949 | |
| 467 | A | B | 0.0000 | |
| 468 | P | B | 0.0000 | |
| 469 | Y | B | 0.0516 | |
| 470 | G | B | -0.2013 | |
| 471 | Y | B | 0.0000 | |
| 472 | R | B | -0.6658 | |
| 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 | -1.9636 | |
| 480 | E | B | -1.6371 | |
| 481 | D | B | -1.1692 | |
| 482 | P | B | -1.0178 | |
| 483 | G | B | -0.9580 | |
| 484 | P | B | -0.6450 | |
| 485 | Y | B | -0.0787 | |
| 486 | R | B | -1.5088 | |
| 487 | T | B | -0.8407 | |
| 488 | T | B | -0.8398 | |
| 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 | -0.9143 | |
| 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 | -0.6657 | |
| 501 | L | B | -0.4062 | |
| 502 | D | B | -1.4976 | |
| 503 | M | B | -0.8379 | |
| 504 | P | B | -0.5320 | |
| 505 | L | B | 0.0812 | |
| 506 | P | B | -0.0536 | |
| 507 | A | B | 0.0827 | |
| 508 | S | B | 0.0743 | |
| 509 | Y | B | 0.1719 |
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