| Chain sequence(s) |
A: DRRIFGLENEYGVTSTFHGQRRLSPDEVARYLFRRVVSWGRSSNVFLRNGARLYLDVGSHPEYATPESDNLVDLVVHDKAGERTLEGLLVDAEHRLREEGITGDIYLFKNNTDSAGNSYGCHENYLVTRQGEFSRLADVLIPFLVTRQLISGAGKVLATPRGAVYSLSQRAEHIWEGVSSATTRSRPIINTRDEPHADAERFRRLHVIVGDSNMAEPSTLLKVGSTDIVLRMIEAGVVLRDLSLENPIRAIREVSHDPTGRRRIRMANGREASALEIQEEYLSKAQEFLERRGTDAVTKRVLDLWERTLRAVRTGDLSLVDREIDWVIKYRLIEAYRARHDLPLSSPRVAQIDLAYHDVKRTRGLYYLLERKGAVERVAHDVQIFEAKSTPPQTTRARLRGEFIRHAQEKRRDFTVDWVHLKLNDQAQRTVLSKDPFRSVDERVEKLIASM
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | No |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:03)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:03)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:03)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:16:14)
[INFO] Main: Simulation completed successfully. (00:16:18)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | D | A | -2.4627 | |
| 2 | R | A | -2.2902 | |
| 3 | R | A | 0.0000 | |
| 4 | I | A | 0.0000 | |
| 5 | F | A | 0.0000 | |
| 6 | G | A | -0.2183 | |
| 7 | L | A | 0.0000 | |
| 8 | E | A | -0.3861 | |
| 9 | N | A | 0.0000 | |
| 10 | E | A | -0.3809 | |
| 11 | Y | A | 0.0000 | |
| 12 | G | A | 0.0000 | |
| 13 | V | A | 0.0000 | |
| 14 | T | A | -0.9866 | |
| 15 | S | A | 0.0000 | |
| 16 | T | A | -2.0868 | |
| 17 | F | A | -1.5346 | |
| 18 | H | A | -1.8930 | |
| 19 | G | A | -2.0487 | |
| 20 | Q | A | -2.8242 | |
| 21 | R | A | -3.3750 | |
| 22 | R | A | -2.9070 | |
| 23 | L | A | -1.6747 | |
| 24 | S | A | -1.3692 | |
| 25 | P | A | -1.5913 | |
| 26 | D | A | -1.6960 | |
| 27 | E | A | -2.0454 | |
| 28 | V | A | 0.0000 | |
| 29 | A | A | 0.0000 | |
| 30 | R | A | -2.7235 | |
| 31 | Y | A | -1.9998 | |
| 32 | L | A | 0.0000 | |
| 33 | F | A | 0.0000 | |
| 34 | R | A | -2.4841 | |
| 35 | R | A | -1.8700 | |
| 36 | V | A | 0.0000 | |
| 37 | V | A | -1.0342 | |
| 38 | S | A | -0.8775 | |
| 39 | W | A | -0.3722 | |
| 40 | G | A | -1.1681 | |
| 41 | R | A | -1.9308 | |
| 42 | S | A | -1.1321 | |
| 43 | S | A | -1.2614 | |
| 44 | N | A | -1.2346 | |
| 45 | V | A | 0.0000 | |
| 46 | F | A | 0.0000 | |
| 47 | L | A | -0.6749 | |
| 48 | R | A | -1.4631 | |
| 49 | N | A | 0.0000 | |
| 50 | G | A | 0.0000 | |
| 51 | A | A | 0.0000 | |
| 52 | R | A | -0.7115 | |
| 53 | L | A | 0.0000 | |
| 54 | Y | A | -0.1883 | |
| 55 | L | A | -0.2150 | |
| 56 | D | A | 0.1438 | |
| 57 | V | A | 1.2716 | |
| 58 | G | A | -0.0973 | |
| 59 | S | A | -0.5358 | |
| 60 | H | A | -0.2135 | |
| 61 | P | A | 0.0000 | |
| 62 | E | A | 0.0000 | |
| 63 | Y | A | 0.0000 | |
| 64 | A | A | 0.0000 | |
| 65 | T | A | 0.0000 | |
| 66 | P | A | 0.0000 | |
| 67 | E | A | 0.0000 | |
| 68 | S | A | 0.0000 | |
| 69 | D | A | -1.2888 | |
| 70 | N | A | -1.1669 | |
| 71 | L | A | 0.0000 | |
| 72 | V | A | -0.1453 | |
| 73 | D | A | -0.9971 | |
| 74 | L | A | 0.0000 | |
| 75 | V | A | 0.0000 | |
| 76 | V | A | 0.0000 | |
| 77 | H | A | 0.0000 | |
| 78 | D | A | 0.0000 | |
| 79 | K | A | 0.0000 | |
| 80 | A | A | 0.0000 | |
| 81 | G | A | 0.0000 | |
| 82 | E | A | 0.0000 | |
| 83 | R | A | 0.0000 | |
| 84 | T | A | -0.1787 | |
| 85 | L | A | 0.0000 | |
| 86 | E | A | 0.0000 | |
| 87 | G | A | -0.1355 | |
| 88 | L | A | 0.0000 | |
| 89 | L | A | 0.0000 | |
| 90 | V | A | 0.0267 | |
| 91 | D | A | -0.8626 | |
| 92 | A | A | 0.0000 | |
| 93 | E | A | 0.0000 | |
| 94 | H | A | -2.3515 | |
| 95 | R | A | -2.7225 | |
| 96 | L | A | 0.0000 | |
| 97 | R | A | -3.7882 | |
| 98 | E | A | -3.8631 | |
| 99 | E | A | -3.2120 | |
| 100 | G | A | -2.2345 | |
| 101 | I | A | -1.5756 | |
| 102 | T | A | -1.2591 | |
| 103 | G | A | -1.4242 | |
| 104 | D | A | -1.3336 | |
| 105 | I | A | 0.0000 | |
| 106 | Y | A | -0.0647 | |
| 107 | L | A | 0.0000 | |
| 108 | F | A | 0.0000 | |
| 109 | K | A | 0.0000 | |
| 110 | N | A | 0.0000 | |
| 111 | N | A | 0.0000 | |
| 112 | T | A | -0.9064 | |
| 113 | D | A | -1.2789 | |
| 114 | S | A | -0.8583 | |
| 115 | A | A | -0.8854 | |
| 116 | G | A | -1.4344 | |
| 117 | N | A | -1.8283 | |
| 118 | S | A | -1.0708 | |
| 119 | Y | A | 0.0000 | |
| 120 | G | A | 0.0000 | |
| 121 | C | A | 0.0000 | |
| 122 | H | A | -0.2694 | |
| 123 | E | A | 0.0000 | |
| 124 | N | A | -0.3057 | |
| 125 | Y | A | 0.0000 | |
| 126 | L | A | 0.0000 | |
| 127 | V | A | 0.0000 | |
| 128 | T | A | -1.7877 | |
| 129 | R | A | -2.7014 | |
| 130 | Q | A | -2.8055 | |
| 131 | G | A | -2.4720 | |
| 132 | E | A | -2.5764 | |
| 133 | F | A | -1.4967 | |
| 134 | S | A | -1.5081 | |
| 135 | R | A | -2.2047 | |
| 136 | L | A | 0.0000 | |
| 137 | A | A | 0.0000 | |
| 138 | D | A | -2.1801 | |
| 139 | V | A | -1.3749 | |
| 140 | L | A | 0.0000 | |
| 141 | I | A | -0.1610 | |
| 142 | P | A | 0.0000 | |
| 143 | F | A | 0.0000 | |
| 144 | L | A | 0.0000 | |
| 145 | V | A | 0.0000 | |
| 146 | T | A | 0.0000 | |
| 147 | R | A | 0.0000 | |
| 148 | Q | A | 0.0000 | |
| 149 | L | A | 0.0000 | |
| 150 | I | A | 0.0000 | |
| 151 | S | A | 0.0000 | |
| 152 | G | A | 0.0000 | |
| 153 | A | A | 0.0000 | |
| 154 | G | A | 0.0000 | |
| 155 | K | A | -0.1478 | |
| 156 | V | A | 0.0000 | |
| 157 | L | A | 0.1467 | |
| 158 | A | A | -0.2095 | |
| 159 | T | A | -0.6935 | |
| 160 | P | A | -1.2029 | |
| 161 | R | A | -2.0308 | |
| 162 | G | A | -1.1189 | |
| 163 | A | A | -0.3654 | |
| 164 | V | A | -0.0331 | |
| 165 | Y | A | 0.0000 | |
| 166 | S | A | 0.0000 | |
| 167 | L | A | 0.0000 | |
| 168 | S | A | 0.0000 | |
| 169 | Q | A | 0.0000 | |
| 170 | R | A | 0.0000 | |
| 171 | A | A | 0.0000 | |
| 172 | E | A | -1.0336 | |
| 173 | H | A | -0.6026 | |
| 174 | I | A | 0.0000 | |
| 175 | W | A | 0.1275 | |
| 176 | E | A | -0.2192 | |
| 177 | G | A | -0.1220 | |
| 178 | V | A | 0.3365 | |
| 179 | S | A | -0.3704 | |
| 180 | S | A | -1.0638 | |
| 181 | A | A | -0.9732 | |
| 182 | T | A | -0.9262 | |
| 183 | T | A | -1.0712 | |
| 184 | R | A | -1.8427 | |
| 185 | S | A | -0.9085 | |
| 186 | R | A | -0.6737 | |
| 187 | P | A | 0.0000 | |
| 188 | I | A | 0.0000 | |
| 189 | I | A | 0.0000 | |
| 190 | N | A | 0.0000 | |
| 191 | T | A | -1.4175 | |
| 192 | R | A | -3.1655 | |
| 193 | D | A | -3.2970 | |
| 194 | E | A | -3.2281 | |
| 195 | P | A | -2.4610 | |
| 196 | H | A | -1.6016 | |
| 197 | A | A | 0.0000 | |
| 198 | D | A | -3.0030 | |
| 199 | A | A | -2.6811 | |
| 200 | E | A | -3.2152 | |
| 201 | R | A | -3.4567 | |
| 202 | F | A | -2.4545 | |
| 203 | R | A | -2.2072 | |
| 204 | R | A | -1.5016 | |
| 205 | L | A | 0.0000 | |
| 206 | H | A | -1.0022 | |
| 207 | V | A | 0.0000 | |
| 208 | I | A | 0.0000 | |
| 209 | V | A | 0.0000 | |
| 210 | G | A | 0.0000 | |
| 211 | D | A | 0.0000 | |
| 212 | S | A | 0.0000 | |
| 213 | N | A | 0.0000 | |
| 214 | M | A | 0.0000 | |
| 215 | A | A | 0.0000 | |
| 216 | E | A | 0.0000 | |
| 217 | P | A | 0.0000 | |
| 218 | S | A | 0.0000 | |
| 219 | T | A | 0.0000 | |
| 220 | L | A | 0.0000 | |
| 221 | L | A | 0.0000 | |
| 222 | K | A | 0.0000 | |
| 223 | V | A | 0.0000 | |
| 224 | G | A | 0.0000 | |
| 225 | S | A | 0.0000 | |
| 226 | T | A | 0.0000 | |
| 227 | D | A | 0.0000 | |
| 228 | I | A | 0.0000 | |
| 229 | V | A | 0.0000 | |
| 230 | L | A | 0.0000 | |
| 231 | R | A | -1.1549 | |
| 232 | M | A | 0.0000 | |
| 233 | I | A | 0.0000 | |
| 234 | E | A | -1.7629 | |
| 235 | A | A | -0.5760 | |
| 236 | G | A | -0.2898 | |
| 237 | V | A | 0.5638 | |
| 238 | V | A | 1.2719 | |
| 239 | L | A | -0.2471 | |
| 240 | R | A | -2.1968 | |
| 241 | D | A | -2.8139 | |
| 242 | L | A | 0.0000 | |
| 243 | S | A | -2.1182 | |
| 244 | L | A | 0.0000 | |
| 245 | E | A | -3.5305 | |
| 246 | N | A | -2.3491 | |
| 247 | P | A | -1.5783 | |
| 248 | I | A | -1.3402 | |
| 249 | R | A | -2.7377 | |
| 250 | A | A | 0.0000 | |
| 251 | I | A | 0.0000 | |
| 252 | R | A | -1.8898 | |
| 253 | E | A | -2.5116 | |
| 254 | V | A | 0.0000 | |
| 255 | S | A | 0.0000 | |
| 256 | H | A | -1.0308 | |
| 257 | D | A | -1.2645 | |
| 258 | P | A | -0.6641 | |
| 259 | T | A | -1.3464 | |
| 260 | G | A | 0.0000 | |
| 261 | R | A | -3.2725 | |
| 262 | R | A | -3.1849 | |
| 263 | R | A | -4.2405 | |
| 264 | I | A | 0.0000 | |
| 265 | R | A | -4.6521 | |
| 266 | M | A | 0.0000 | |
| 267 | A | A | -2.8565 | |
| 268 | N | A | -3.1300 | |
| 269 | G | A | -3.1461 | |
| 270 | R | A | -4.2467 | |
| 271 | E | A | -4.7087 | |
| 272 | A | A | -3.1354 | |
| 273 | S | A | 0.0000 | |
| 274 | A | A | 0.0000 | |
| 275 | L | A | 0.0000 | |
| 276 | E | A | -2.7524 | |
| 277 | I | A | 0.0000 | |
| 278 | Q | A | 0.0000 | |
| 279 | E | A | -2.1351 | |
| 280 | E | A | -1.5256 | |
| 281 | Y | A | 0.0000 | |
| 282 | L | A | 0.0000 | |
| 283 | S | A | -1.4038 | |
| 284 | K | A | -1.4235 | |
| 285 | A | A | 0.0000 | |
| 286 | Q | A | -2.4608 | |
| 287 | E | A | -3.1721 | |
| 288 | F | A | 0.0000 | |
| 289 | L | A | 0.0000 | |
| 290 | E | A | -4.0716 | |
| 291 | R | A | -4.1578 | |
| 292 | R | A | -3.6980 | |
| 293 | G | A | -3.0471 | |
| 294 | T | A | -2.5537 | |
| 295 | D | A | -2.2327 | |
| 296 | A | A | -1.3226 | |
| 297 | V | A | -0.9705 | |
| 298 | T | A | 0.0000 | |
| 299 | K | A | -2.4999 | |
| 300 | R | A | -1.9872 | |
| 301 | V | A | 0.0000 | |
| 302 | L | A | 0.0000 | |
| 303 | D | A | -2.1969 | |
| 304 | L | A | 0.0000 | |
| 305 | W | A | 0.0000 | |
| 306 | E | A | -2.6137 | |
| 307 | R | A | -2.1426 | |
| 308 | T | A | 0.0000 | |
| 309 | L | A | 0.0000 | |
| 310 | R | A | -3.1766 | |
| 311 | A | A | 0.0000 | |
| 312 | V | A | 0.0000 | |
| 313 | R | A | -3.0100 | |
| 314 | T | A | -1.8255 | |
| 315 | G | A | -1.6915 | |
| 316 | D | A | -1.8523 | |
| 317 | L | A | -1.4161 | |
| 318 | S | A | -0.9857 | |
| 319 | L | A | -0.7483 | |
| 320 | V | A | 0.0000 | |
| 321 | D | A | -1.5117 | |
| 322 | R | A | -1.7140 | |
| 323 | E | A | -1.0315 | |
| 324 | I | A | 0.0000 | |
| 325 | D | A | 0.0000 | |
| 326 | W | A | 0.0000 | |
| 327 | V | A | 0.0000 | |
| 328 | I | A | 0.0000 | |
| 329 | K | A | 0.0000 | |
| 330 | Y | A | -0.8728 | |
| 331 | R | A | -2.0665 | |
| 332 | L | A | -0.7004 | |
| 333 | I | A | 0.0000 | |
| 334 | E | A | -1.6628 | |
| 335 | A | A | -1.4854 | |
| 336 | Y | A | -1.5083 | |
| 337 | R | A | -2.1884 | |
| 338 | A | A | -1.9436 | |
| 339 | R | A | -2.7141 | |
| 340 | H | A | -2.4003 | |
| 341 | D | A | -2.5784 | |
| 342 | L | A | -1.6833 | |
| 343 | P | A | -0.9759 | |
| 344 | L | A | -0.5151 | |
| 345 | S | A | -0.3680 | |
| 346 | S | A | 0.0000 | |
| 347 | P | A | -1.1804 | |
| 348 | R | A | -1.7860 | |
| 349 | V | A | 0.0000 | |
| 350 | A | A | -0.8423 | |
| 351 | Q | A | -1.3406 | |
| 352 | I | A | -0.3479 | |
| 353 | D | A | 0.0000 | |
| 354 | L | A | -0.0588 | |
| 355 | A | A | 0.0267 | |
| 356 | Y | A | 0.0000 | |
| 357 | H | A | 0.0000 | |
| 358 | D | A | 0.0000 | |
| 359 | V | A | 0.0000 | |
| 360 | K | A | -0.4675 | |
| 361 | R | A | -0.9448 | |
| 362 | T | A | -0.6639 | |
| 363 | R | A | -0.5266 | |
| 364 | G | A | 0.0000 | |
| 365 | L | A | 0.2752 | |
| 366 | Y | A | 0.0000 | |
| 367 | Y | A | 0.0000 | |
| 368 | L | A | -0.3874 | |
| 369 | L | A | -0.8349 | |
| 370 | E | A | -1.7746 | |
| 371 | R | A | -2.5867 | |
| 372 | K | A | -2.5412 | |
| 373 | G | A | -1.9739 | |
| 374 | A | A | -1.4685 | |
| 375 | V | A | 0.0000 | |
| 376 | E | A | -1.3865 | |
| 377 | R | A | -1.2522 | |
| 378 | V | A | -0.4546 | |
| 379 | A | A | 0.0000 | |
| 380 | H | A | -1.0161 | |
| 381 | D | A | -0.7395 | |
| 382 | V | A | 0.5038 | |
| 383 | Q | A | -1.0692 | |
| 384 | I | A | 0.0000 | |
| 385 | F | A | -0.2301 | |
| 386 | E | A | -1.6115 | |
| 387 | A | A | 0.0000 | |
| 388 | K | A | -1.3470 | |
| 389 | S | A | -1.2632 | |
| 390 | T | A | -1.4467 | |
| 391 | P | A | 0.0000 | |
| 392 | P | A | 0.0000 | |
| 393 | Q | A | -1.0912 | |
| 394 | T | A | -0.6160 | |
| 395 | T | A | 0.0000 | |
| 396 | R | A | 0.0000 | |
| 397 | A | A | 0.0000 | |
| 398 | R | A | -1.2334 | |
| 399 | L | A | 0.0000 | |
| 400 | R | A | 0.0000 | |
| 401 | G | A | 0.0000 | |
| 402 | E | A | -1.5679 | |
| 403 | F | A | 0.0000 | |
| 404 | I | A | 0.0000 | |
| 405 | R | A | -2.1692 | |
| 406 | H | A | -2.2338 | |
| 407 | A | A | 0.0000 | |
| 408 | Q | A | -3.0514 | |
| 409 | E | A | -3.4812 | |
| 410 | K | A | -3.6436 | |
| 411 | R | A | -4.1539 | |
| 412 | R | A | -3.9933 | |
| 413 | D | A | -3.2369 | |
| 414 | F | A | -1.6612 | |
| 415 | T | A | -0.7190 | |
| 416 | V | A | -0.3256 | |
| 417 | D | A | -0.7826 | |
| 418 | W | A | -0.4244 | |
| 419 | V | A | -0.6844 | |
| 420 | H | A | -0.6112 | |
| 421 | L | A | 0.0000 | |
| 422 | K | A | -1.2515 | |
| 423 | L | A | 0.0000 | |
| 424 | N | A | -2.2257 | |
| 425 | D | A | -2.2323 | |
| 426 | Q | A | -1.8475 | |
| 427 | A | A | -1.4150 | |
| 428 | Q | A | -1.8827 | |
| 429 | R | A | -1.5471 | |
| 430 | T | A | -0.8975 | |
| 431 | V | A | 0.0000 | |
| 432 | L | A | -0.3896 | |
| 433 | S | A | 0.0000 | |
| 434 | K | A | -2.1579 | |
| 435 | D | A | -2.2351 | |
| 436 | P | A | 0.0000 | |
| 437 | F | A | -0.6680 | |
| 438 | R | A | -0.8208 | |
| 439 | S | A | -0.0792 | |
| 440 | V | A | 0.4812 | |
| 441 | D | A | 0.0000 | |
| 442 | E | A | -3.1332 | |
| 443 | R | A | -2.9494 | |
| 444 | V | A | 0.0000 | |
| 445 | E | A | -3.4250 | |
| 446 | K | A | -3.4084 | |
| 447 | L | A | 0.0000 | |
| 448 | I | A | -1.5860 | |
| 449 | A | A | -1.0767 | |
| 450 | S | A | -0.6994 | |
| 451 | M | A | -1.2350 |
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