| Chain sequence(s) |
A: MDRRIFGLENEYGVTCTFHGQRRLSPDEVARYLFRRVVSWGRSSNVFLRNGARLYLDVGSHPEYATPECDNLVDLVVHDKAGERTLEGLLVDAEHRLREEGITGDIYLFKNNTDSAGNSYGCHENYLVTRQGEFSRLADVLIPFLVTRQLICGAGKVLATPRGAVYCLSQRAEHIWEGVSSATTRSRPIINTRDEPHADAERFRRLHVIVGDSNMAEPSTLLKVGSTDIVLRMIEAGVVLRDLSLENPIRAIREVSHDPTGRRRIRMANGREASALEIQEEYLSRAQEFLERRGTDAVTRRVLDLWERTLRAVRTGDLSLVDREIDWVIKYRLIEAYRARHDLPLSSPRVAQIDLAYHDVRRTRGLYYLLERRGAVERVAHDVQIFEARSTPPQTTRARLRGEFIRHAQERRRDFTVDWVHLRLNDQAQRTVLCRDPFRSVDERVERLIASMRLAAALEGS
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] (00:00:02)
[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 minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:15:07)
[INFO] Main: Simulation completed successfully. (00:15:11)
|
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 | M | A | -1.1759 | |
| 2 | D | A | -2.3548 | |
| 3 | R | A | -2.0561 | |
| 4 | R | A | 0.0000 | |
| 5 | I | A | 0.0000 | |
| 6 | F | A | 0.0000 | |
| 7 | G | A | -0.2011 | |
| 8 | L | A | 0.0000 | |
| 9 | E | A | -0.3907 | |
| 10 | N | A | 0.0000 | |
| 11 | E | A | -0.3032 | |
| 12 | Y | A | 0.0000 | |
| 13 | G | A | 0.0000 | |
| 14 | V | A | -0.1374 | |
| 15 | T | A | 0.0000 | |
| 16 | C | A | 0.0000 | |
| 17 | T | A | -1.7261 | |
| 18 | F | A | -0.9953 | |
| 19 | H | A | -1.6266 | |
| 20 | G | A | -1.8524 | |
| 21 | Q | A | -2.5883 | |
| 22 | R | A | -3.0853 | |
| 23 | R | A | -2.4275 | |
| 24 | L | A | 0.0000 | |
| 25 | S | A | -1.5341 | |
| 26 | P | A | -1.7760 | |
| 27 | D | A | -2.4041 | |
| 28 | E | A | -2.4944 | |
| 29 | V | A | 0.0000 | |
| 30 | A | A | 0.0000 | |
| 31 | R | A | -2.8035 | |
| 32 | Y | A | -2.1722 | |
| 33 | L | A | 0.0000 | |
| 34 | F | A | 0.0000 | |
| 35 | R | A | -2.4063 | |
| 36 | R | A | -2.5849 | |
| 37 | V | A | 0.0000 | |
| 38 | V | A | -1.4772 | |
| 39 | S | A | -1.0044 | |
| 40 | W | A | -0.3398 | |
| 41 | G | A | -1.2637 | |
| 42 | R | A | -2.0476 | |
| 43 | S | A | -1.1737 | |
| 44 | S | A | -1.2959 | |
| 45 | N | A | -1.2383 | |
| 46 | V | A | 0.0000 | |
| 47 | F | A | -0.3721 | |
| 48 | L | A | -0.6888 | |
| 49 | R | A | -1.4800 | |
| 50 | N | A | 0.0000 | |
| 51 | G | A | 0.0000 | |
| 52 | A | A | 0.0000 | |
| 53 | R | A | -0.6297 | |
| 54 | L | A | 0.0000 | |
| 55 | Y | A | -0.2442 | |
| 56 | L | A | -0.2114 | |
| 57 | D | A | 0.1194 | |
| 58 | V | A | 1.3113 | |
| 59 | G | A | -0.1366 | |
| 60 | S | A | 0.0000 | |
| 61 | H | A | -0.1711 | |
| 62 | P | A | 0.0000 | |
| 63 | E | A | 0.0000 | |
| 64 | Y | A | 0.0000 | |
| 65 | A | A | 0.0000 | |
| 66 | T | A | 0.0000 | |
| 67 | P | A | 0.0000 | |
| 68 | E | A | 0.0000 | |
| 69 | C | A | 0.0000 | |
| 70 | D | A | -1.0666 | |
| 71 | N | A | -0.8185 | |
| 72 | L | A | 0.0000 | |
| 73 | V | A | 0.1213 | |
| 74 | D | A | -0.6987 | |
| 75 | L | A | 0.0000 | |
| 76 | V | A | 0.0000 | |
| 77 | V | A | 0.0000 | |
| 78 | H | A | 0.0000 | |
| 79 | D | A | 0.0000 | |
| 80 | K | A | 0.0000 | |
| 81 | A | A | 0.0000 | |
| 82 | G | A | 0.0000 | |
| 83 | E | A | 0.0000 | |
| 84 | R | A | 0.0000 | |
| 85 | T | A | -0.3388 | |
| 86 | L | A | 0.0000 | |
| 87 | E | A | 0.0000 | |
| 88 | G | A | -0.4414 | |
| 89 | L | A | -0.8288 | |
| 90 | L | A | 0.0000 | |
| 91 | V | A | -0.7062 | |
| 92 | D | A | -2.2674 | |
| 93 | A | A | 0.0000 | |
| 94 | E | A | 0.0000 | |
| 95 | H | A | -3.0381 | |
| 96 | R | A | -3.4682 | |
| 97 | L | A | 0.0000 | |
| 98 | R | A | -3.8913 | |
| 99 | E | A | -4.0633 | |
| 100 | E | A | -3.3728 | |
| 101 | G | A | -2.3501 | |
| 102 | I | A | -1.6379 | |
| 103 | T | A | -1.1194 | |
| 104 | G | A | 0.0000 | |
| 105 | D | A | -0.9815 | |
| 106 | I | A | 0.0000 | |
| 107 | Y | A | -0.0186 | |
| 108 | L | A | 0.0000 | |
| 109 | F | A | 0.0000 | |
| 110 | K | A | 0.0000 | |
| 111 | N | A | 0.0000 | |
| 112 | N | A | 0.0000 | |
| 113 | T | A | 0.0000 | |
| 114 | D | A | -1.3203 | |
| 115 | S | A | -0.8840 | |
| 116 | A | A | -0.8753 | |
| 117 | G | A | -1.3262 | |
| 118 | N | A | -1.7072 | |
| 119 | S | A | 0.0000 | |
| 120 | Y | A | 0.0000 | |
| 121 | G | A | 0.0000 | |
| 122 | C | A | 0.0000 | |
| 123 | H | A | -0.2712 | |
| 124 | E | A | 0.0000 | |
| 125 | N | A | -0.2837 | |
| 126 | Y | A | 0.0000 | |
| 127 | L | A | 0.0000 | |
| 128 | V | A | 0.0000 | |
| 129 | T | A | -1.6234 | |
| 130 | R | A | -2.5395 | |
| 131 | Q | A | -2.6502 | |
| 132 | G | A | -2.3540 | |
| 133 | E | A | -2.5831 | |
| 134 | F | A | -1.5732 | |
| 135 | S | A | -1.5200 | |
| 136 | R | A | -2.1209 | |
| 137 | L | A | 0.0000 | |
| 138 | A | A | 0.0000 | |
| 139 | D | A | -2.2386 | |
| 140 | V | A | -1.3806 | |
| 141 | L | A | 0.0000 | |
| 142 | I | A | -0.1778 | |
| 143 | P | A | 0.0000 | |
| 144 | F | A | 0.0000 | |
| 145 | L | A | 0.0000 | |
| 146 | V | A | 0.0000 | |
| 147 | T | A | 0.0000 | |
| 148 | R | A | 0.0000 | |
| 149 | Q | A | 0.0000 | |
| 150 | L | A | 0.0000 | |
| 151 | I | A | 0.0000 | |
| 152 | C | A | 0.0000 | |
| 153 | G | A | 0.0000 | |
| 154 | A | A | 0.0000 | |
| 155 | G | A | 0.0000 | |
| 156 | K | A | 0.0227 | |
| 157 | V | A | 0.2698 | |
| 158 | L | A | 0.2237 | |
| 159 | A | A | -0.1618 | |
| 160 | T | A | -0.6812 | |
| 161 | P | A | -1.2137 | |
| 162 | R | A | -2.0325 | |
| 163 | G | A | -1.1353 | |
| 164 | A | A | -0.2912 | |
| 165 | V | A | 0.1048 | |
| 166 | Y | A | 0.0000 | |
| 167 | C | A | 0.0000 | |
| 168 | L | A | 0.0000 | |
| 169 | S | A | 0.0000 | |
| 170 | Q | A | 0.0000 | |
| 171 | R | A | 0.0000 | |
| 172 | A | A | 0.0000 | |
| 173 | E | A | -1.1053 | |
| 174 | H | A | -0.7739 | |
| 175 | I | A | 0.0000 | |
| 176 | W | A | -0.5553 | |
| 177 | E | A | -1.1452 | |
| 178 | G | A | -0.5071 | |
| 179 | V | A | 0.2113 | |
| 180 | S | A | -0.6366 | |
| 181 | S | A | -1.1184 | |
| 182 | A | A | -1.0896 | |
| 183 | T | A | -0.9377 | |
| 184 | T | A | -0.8915 | |
| 185 | R | A | -2.0494 | |
| 186 | S | A | -1.2177 | |
| 187 | R | A | -0.9485 | |
| 188 | P | A | 0.0000 | |
| 189 | I | A | 0.0000 | |
| 190 | I | A | 0.0000 | |
| 191 | N | A | 0.0000 | |
| 192 | T | A | -1.2165 | |
| 193 | R | A | -2.6540 | |
| 194 | D | A | -2.3286 | |
| 195 | E | A | -1.9501 | |
| 196 | P | A | -1.7863 | |
| 197 | H | A | -1.2528 | |
| 198 | A | A | -1.6600 | |
| 199 | D | A | 0.0000 | |
| 200 | A | A | -2.0752 | |
| 201 | E | A | -2.9256 | |
| 202 | R | A | -3.1717 | |
| 203 | F | A | -2.1053 | |
| 204 | R | A | -1.8812 | |
| 205 | R | A | -1.2362 | |
| 206 | L | A | 0.0000 | |
| 207 | H | A | 0.0000 | |
| 208 | V | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | V | A | 0.0000 | |
| 211 | G | A | 0.0000 | |
| 212 | D | A | 0.0000 | |
| 213 | S | A | 0.0000 | |
| 214 | N | A | 0.0000 | |
| 215 | M | A | 0.0000 | |
| 216 | A | A | 0.0000 | |
| 217 | E | A | 0.0000 | |
| 218 | P | A | 0.0000 | |
| 219 | S | A | 0.0000 | |
| 220 | T | A | 0.0000 | |
| 221 | L | A | 0.0000 | |
| 222 | L | A | 0.0000 | |
| 223 | K | A | 0.0000 | |
| 224 | V | A | 0.0000 | |
| 225 | G | A | 0.0000 | |
| 226 | S | A | 0.0000 | |
| 227 | T | A | 0.0000 | |
| 228 | D | A | 0.0000 | |
| 229 | I | A | 0.0000 | |
| 230 | V | A | 0.0000 | |
| 231 | L | A | 0.0000 | |
| 232 | R | A | -0.8775 | |
| 233 | M | A | 0.0000 | |
| 234 | I | A | 0.0000 | |
| 235 | E | A | -1.1555 | |
| 236 | A | A | -0.1765 | |
| 237 | G | A | -0.0704 | |
| 238 | V | A | 0.6421 | |
| 239 | V | A | 1.2115 | |
| 240 | L | A | -0.3086 | |
| 241 | R | A | -2.2078 | |
| 242 | D | A | -2.8414 | |
| 243 | L | A | 0.0000 | |
| 244 | S | A | -2.1383 | |
| 245 | L | A | 0.0000 | |
| 246 | E | A | -3.5574 | |
| 247 | N | A | -2.7416 | |
| 248 | P | A | -1.7945 | |
| 249 | I | A | -1.6494 | |
| 250 | R | A | -2.7448 | |
| 251 | A | A | 0.0000 | |
| 252 | I | A | 0.0000 | |
| 253 | R | A | -1.6762 | |
| 254 | E | A | -1.9185 | |
| 255 | V | A | 0.0000 | |
| 256 | S | A | 0.0000 | |
| 257 | H | A | -0.8494 | |
| 258 | D | A | -1.0468 | |
| 259 | P | A | -0.6032 | |
| 260 | T | A | -1.1625 | |
| 261 | G | A | 0.0000 | |
| 262 | R | A | -2.8741 | |
| 263 | R | A | -2.8233 | |
| 264 | R | A | -3.9528 | |
| 265 | I | A | 0.0000 | |
| 266 | R | A | -4.2076 | |
| 267 | M | A | 0.0000 | |
| 268 | A | A | -2.7740 | |
| 269 | N | A | -2.9900 | |
| 270 | G | A | -2.8294 | |
| 271 | R | A | -4.0252 | |
| 272 | E | A | -4.5113 | |
| 273 | A | A | -3.0561 | |
| 274 | S | A | 0.0000 | |
| 275 | A | A | 0.0000 | |
| 276 | L | A | 0.0000 | |
| 277 | E | A | -2.8187 | |
| 278 | I | A | 0.0000 | |
| 279 | Q | A | 0.0000 | |
| 280 | E | A | -1.8917 | |
| 281 | E | A | 0.0000 | |
| 282 | Y | A | 0.0000 | |
| 283 | L | A | 0.0000 | |
| 284 | S | A | -1.4735 | |
| 285 | R | A | -1.5835 | |
| 286 | A | A | 0.0000 | |
| 287 | Q | A | -3.3770 | |
| 288 | E | A | -3.4665 | |
| 289 | F | A | 0.0000 | |
| 290 | L | A | 0.0000 | |
| 291 | E | A | -4.2396 | |
| 292 | R | A | -4.2392 | |
| 293 | R | A | -3.8133 | |
| 294 | G | A | -3.1425 | |
| 295 | T | A | -2.7027 | |
| 296 | D | A | -2.3115 | |
| 297 | A | A | -1.4154 | |
| 298 | V | A | -0.9562 | |
| 299 | T | A | 0.0000 | |
| 300 | R | A | -2.8796 | |
| 301 | R | A | -2.1390 | |
| 302 | V | A | 0.0000 | |
| 303 | L | A | 0.0000 | |
| 304 | D | A | -2.3788 | |
| 305 | L | A | 0.0000 | |
| 306 | W | A | 0.0000 | |
| 307 | E | A | -3.0880 | |
| 308 | R | A | -2.3263 | |
| 309 | T | A | 0.0000 | |
| 310 | L | A | 0.0000 | |
| 311 | R | A | -3.2220 | |
| 312 | A | A | 0.0000 | |
| 313 | V | A | 0.0000 | |
| 314 | R | A | -2.8008 | |
| 315 | T | A | -1.7415 | |
| 316 | G | A | -1.6418 | |
| 317 | D | A | -1.8185 | |
| 318 | L | A | -1.3734 | |
| 319 | S | A | -0.9827 | |
| 320 | L | A | -0.7488 | |
| 321 | V | A | 0.0000 | |
| 322 | D | A | -1.5520 | |
| 323 | R | A | -1.9075 | |
| 324 | E | A | -1.1340 | |
| 325 | I | A | 0.0000 | |
| 326 | D | A | 0.0000 | |
| 327 | W | A | 0.0000 | |
| 328 | V | A | 0.0000 | |
| 329 | I | A | 0.0000 | |
| 330 | K | A | 0.0000 | |
| 331 | Y | A | -0.7796 | |
| 332 | R | A | -1.9337 | |
| 333 | L | A | -0.6804 | |
| 334 | I | A | 0.0000 | |
| 335 | E | A | -1.7718 | |
| 336 | A | A | -1.3813 | |
| 337 | Y | A | -1.4698 | |
| 338 | R | A | -2.1139 | |
| 339 | A | A | -1.8422 | |
| 340 | R | A | -2.5676 | |
| 341 | H | A | -2.1197 | |
| 342 | D | A | -2.5139 | |
| 343 | L | A | -1.6316 | |
| 344 | P | A | -0.9844 | |
| 345 | L | A | -0.5207 | |
| 346 | S | A | -0.3947 | |
| 347 | S | A | 0.0000 | |
| 348 | P | A | -1.4724 | |
| 349 | R | A | -2.3545 | |
| 350 | V | A | 0.0000 | |
| 351 | A | A | -1.1114 | |
| 352 | Q | A | -1.7493 | |
| 353 | I | A | 0.0000 | |
| 354 | D | A | -0.4523 | |
| 355 | L | A | -0.2755 | |
| 356 | A | A | -0.1331 | |
| 357 | Y | A | 0.0000 | |
| 358 | H | A | 0.0000 | |
| 359 | D | A | 0.0000 | |
| 360 | V | A | 0.0000 | |
| 361 | R | A | -0.6556 | |
| 362 | R | A | -1.1357 | |
| 363 | T | A | -0.7790 | |
| 364 | R | A | -0.5855 | |
| 365 | G | A | 0.0000 | |
| 366 | L | A | 0.1195 | |
| 367 | Y | A | 0.0000 | |
| 368 | Y | A | 0.0000 | |
| 369 | L | A | -0.7326 | |
| 370 | L | A | -1.0705 | |
| 371 | E | A | -2.0071 | |
| 372 | R | A | -2.8106 | |
| 373 | R | A | -2.8055 | |
| 374 | G | A | -2.1784 | |
| 375 | A | A | -1.6486 | |
| 376 | V | A | 0.0000 | |
| 377 | E | A | -1.4865 | |
| 378 | R | A | -1.3919 | |
| 379 | V | A | -0.5024 | |
| 380 | A | A | 0.0000 | |
| 381 | H | A | -1.3429 | |
| 382 | D | A | -1.4424 | |
| 383 | V | A | 0.1606 | |
| 384 | Q | A | -1.3276 | |
| 385 | I | A | 0.0000 | |
| 386 | F | A | -0.7776 | |
| 387 | E | A | -2.0026 | |
| 388 | A | A | 0.0000 | |
| 389 | R | A | -2.1455 | |
| 390 | S | A | -1.6481 | |
| 391 | T | A | -1.6268 | |
| 392 | P | A | 0.0000 | |
| 393 | P | A | 0.0000 | |
| 394 | Q | A | -1.2263 | |
| 395 | T | A | -0.6311 | |
| 396 | T | A | 0.0000 | |
| 397 | R | A | 0.0000 | |
| 398 | A | A | 0.0000 | |
| 399 | R | A | -0.9164 | |
| 400 | L | A | 0.0000 | |
| 401 | R | A | 0.0000 | |
| 402 | G | A | 0.0000 | |
| 403 | E | A | -1.3423 | |
| 404 | F | A | 0.0000 | |
| 405 | I | A | 0.0000 | |
| 406 | R | A | -1.9431 | |
| 407 | H | A | -2.0057 | |
| 408 | A | A | 0.0000 | |
| 409 | Q | A | -2.4823 | |
| 410 | E | A | -2.9754 | |
| 411 | R | A | -3.0992 | |
| 412 | R | A | -3.3144 | |
| 413 | R | A | -2.6662 | |
| 414 | D | A | -2.6662 | |
| 415 | F | A | -1.4844 | |
| 416 | T | A | -0.8880 | |
| 417 | V | A | -0.4116 | |
| 418 | D | A | -0.8484 | |
| 419 | W | A | -0.4632 | |
| 420 | V | A | -0.7351 | |
| 421 | H | A | -0.7418 | |
| 422 | L | A | 0.0000 | |
| 423 | R | A | -1.7285 | |
| 424 | L | A | 0.0000 | |
| 425 | N | A | -2.2247 | |
| 426 | D | A | -2.2516 | |
| 427 | Q | A | -1.9621 | |
| 428 | A | A | -1.5250 | |
| 429 | Q | A | -2.3193 | |
| 430 | R | A | -1.7555 | |
| 431 | T | A | -1.0684 | |
| 432 | V | A | 0.0000 | |
| 433 | L | A | -0.3557 | |
| 434 | C | A | 0.0000 | |
| 435 | R | A | -2.0732 | |
| 436 | D | A | -2.1666 | |
| 437 | P | A | 0.0000 | |
| 438 | F | A | -0.6673 | |
| 439 | R | A | -0.8996 | |
| 440 | S | A | -0.0550 | |
| 441 | V | A | 0.5981 | |
| 442 | D | A | 0.0000 | |
| 443 | E | A | -2.7510 | |
| 444 | R | A | -2.6574 | |
| 445 | V | A | 0.0000 | |
| 446 | E | A | -3.3214 | |
| 447 | R | A | -3.4327 | |
| 448 | L | A | 0.0000 | |
| 449 | I | A | -1.7126 | |
| 450 | A | A | -1.4634 | |
| 451 | S | A | -0.8729 | |
| 452 | M | A | 0.0000 | |
| 453 | R | A | -0.9395 | |
| 454 | L | A | 0.8418 | |
| 455 | A | A | 0.0754 | |
| 456 | A | A | -0.6759 | |
| 457 | A | A | 0.1294 | |
| 458 | L | A | 0.6444 | |
| 459 | E | A | -1.1308 | |
| 460 | G | A | -0.9255 | |
| 461 | S | A | -0.4773 |
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