| Chain sequence(s) |
A: ILHYEKLSKIGLVKGVTRKYKIKSNPLTKDIVIKMIPNVSNMSQCTGSVMENYKTRLNGILTPIKGALEIYKNNTHDLGVIMAGVAIGIATAAQITAGVALYEAMKNADNINKLKSSIESTNEAVVKLQETAEKTVYVLTALQDYINTNLVPTIDKISCKQTELSLDLALSKYLSDLLFVFGPNLQDPVSNSMTIQAISQAFGGNYETLLRTLGYATEDFDDLLESDSITGQIIYVDLSSYYIIVRVYFPILTEIQQAYIQELLPVSFNNDNSEWISIVPNFILVRNTLISNIEIGFCLITKRSVICNQDYATPMTNNMRECLTGSTEKCPRELVVSSHVPRFALSNGVLFANCISVTCQCQTTGRAISQSGEQTLLMIDNTTCPTAVLGNVIISLGKYLGSVNYNSEGIAIGPPVFTDKVDISSQISSMNQSLQQSK
input PDB |
| Selected Chain(s) | A |
| 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 A 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 (00:03:14)
[INFO] Main: Simulation completed successfully. (00:03:18)
|
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 | I | A | 2.1274 | |
| 28 | L | A | 0.0000 | |
| 29 | H | A | -0.1707 | |
| 30 | Y | A | -0.3353 | |
| 31 | E | A | -1.0553 | |
| 32 | K | A | -1.0252 | |
| 33 | L | A | 0.0000 | |
| 34 | S | A | 0.0000 | |
| 35 | K | A | 0.0000 | |
| 36 | I | A | 0.0000 | |
| 37 | G | A | 0.0000 | |
| 38 | L | A | 0.0000 | |
| 39 | V | A | 0.0000 | |
| 40 | K | A | -0.6988 | |
| 41 | G | A | -0.3466 | |
| 42 | V | A | -0.5145 | |
| 43 | T | A | -0.8520 | |
| 44 | R | A | -1.5403 | |
| 45 | K | A | -2.4436 | |
| 46 | Y | A | 0.0000 | |
| 47 | K | A | -1.3668 | |
| 48 | I | A | -0.8792 | |
| 49 | K | A | -1.1587 | |
| 50 | S | A | -0.6812 | |
| 51 | N | A | -0.7952 | |
| 52 | P | A | 0.1627 | |
| 53 | L | A | 1.0613 | |
| 54 | T | A | 0.0220 | |
| 55 | K | A | -0.7577 | |
| 56 | D | A | -0.7459 | |
| 57 | I | A | 0.0000 | |
| 58 | V | A | 0.0000 | |
| 59 | I | A | 0.0000 | |
| 60 | K | A | 0.0000 | |
| 61 | M | A | 0.0000 | |
| 62 | I | A | -0.0403 | |
| 63 | P | A | 0.0000 | |
| 64 | N | A | -1.3155 | |
| 65 | V | A | -0.7493 | |
| 66 | S | A | -1.2327 | |
| 67 | N | A | -1.7114 | |
| 68 | M | A | 0.0000 | |
| 69 | S | A | -1.2670 | |
| 70 | Q | A | -1.5680 | |
| 71 | C | A | 0.0000 | |
| 72 | T | A | -1.2261 | |
| 73 | G | A | -1.3640 | |
| 74 | S | A | -1.4824 | |
| 75 | V | A | 0.0000 | |
| 76 | M | A | -1.8456 | |
| 77 | E | A | -3.0526 | |
| 78 | N | A | -3.0757 | |
| 79 | Y | A | 0.0000 | |
| 80 | K | A | -2.5348 | |
| 81 | T | A | -2.4750 | |
| 82 | R | A | -2.9348 | |
| 83 | L | A | 0.0000 | |
| 84 | N | A | -1.5231 | |
| 85 | G | A | -1.4248 | |
| 86 | I | A | 0.0000 | |
| 87 | L | A | 0.0000 | |
| 88 | T | A | -0.5851 | |
| 89 | P | A | -0.9937 | |
| 90 | I | A | 0.0000 | |
| 91 | K | A | -0.8267 | |
| 92 | G | A | -0.7843 | |
| 93 | A | A | -0.7232 | |
| 94 | L | A | 0.0000 | |
| 95 | E | A | -1.2556 | |
| 96 | I | A | 0.2849 | |
| 97 | Y | A | 0.0000 | |
| 98 | K | A | -1.1849 | |
| 99 | N | A | -1.6343 | |
| 100 | N | A | -0.6343 | |
| 101 | T | A | 0.0000 | |
| 102 | H | A | -1.2260 | |
| 103 | D | A | -1.0380 | |
| 104 | L | A | 0.8746 | |
| 112 | G | A | 0.0299 | |
| 113 | V | A | 0.3659 | |
| 114 | I | A | 1.4709 | |
| 115 | M | A | 0.8355 | |
| 116 | A | A | 0.4374 | |
| 117 | G | A | 0.9804 | |
| 118 | V | A | 1.7582 | |
| 119 | A | A | 1.0322 | |
| 120 | I | A | 1.2216 | |
| 121 | G | A | 1.1311 | |
| 122 | I | A | 2.0746 | |
| 123 | A | A | 0.9682 | |
| 124 | T | A | 0.4685 | |
| 125 | A | A | 0.1843 | |
| 126 | A | A | 0.0349 | |
| 127 | Q | A | 0.0997 | |
| 128 | I | A | 0.8661 | |
| 129 | T | A | 0.2923 | |
| 130 | A | A | 0.0000 | |
| 131 | G | A | 0.0000 | |
| 132 | V | A | 0.4995 | |
| 133 | A | A | -0.4098 | |
| 134 | L | A | 0.0000 | |
| 135 | Y | A | -1.1587 | |
| 136 | E | A | -1.9748 | |
| 137 | A | A | 0.0000 | |
| 138 | M | A | -1.8368 | |
| 139 | K | A | -2.8702 | |
| 140 | N | A | -2.7029 | |
| 141 | A | A | 0.0000 | |
| 142 | D | A | -3.0799 | |
| 143 | N | A | -2.8218 | |
| 144 | I | A | 0.0000 | |
| 145 | N | A | -2.1462 | |
| 146 | K | A | -2.6502 | |
| 147 | L | A | 0.0000 | |
| 148 | K | A | -1.8055 | |
| 149 | S | A | -1.4029 | |
| 150 | S | A | -1.2865 | |
| 151 | I | A | 0.0000 | |
| 152 | E | A | -1.9746 | |
| 153 | S | A | -1.6639 | |
| 154 | T | A | 0.0000 | |
| 155 | N | A | -2.7348 | |
| 156 | E | A | -2.5927 | |
| 157 | A | A | -1.2295 | |
| 158 | V | A | -0.1912 | |
| 159 | V | A | -0.5493 | |
| 160 | K | A | -1.2347 | |
| 161 | L | A | -1.2818 | |
| 162 | Q | A | -2.5749 | |
| 163 | E | A | -2.8978 | |
| 164 | T | A | -1.9225 | |
| 165 | A | A | -1.5573 | |
| 166 | E | A | -2.5497 | |
| 167 | K | A | -2.6818 | |
| 168 | T | A | -1.8380 | |
| 169 | V | A | 0.0000 | |
| 170 | Y | A | -0.0850 | |
| 171 | V | A | 0.0000 | |
| 172 | L | A | 0.0000 | |
| 173 | T | A | 0.0000 | |
| 174 | A | A | 0.0000 | |
| 175 | L | A | -0.5390 | |
| 176 | Q | A | 0.0000 | |
| 177 | D | A | -2.3489 | |
| 178 | Y | A | -0.9168 | |
| 179 | I | A | 0.0000 | |
| 180 | N | A | -1.8814 | |
| 181 | T | A | -1.2504 | |
| 182 | N | A | -1.5120 | |
| 183 | L | A | 0.0000 | |
| 184 | V | A | -0.4833 | |
| 185 | P | A | -0.8515 | |
| 186 | T | A | -0.9653 | |
| 187 | I | A | -1.0004 | |
| 188 | D | A | -2.1195 | |
| 189 | K | A | -2.1065 | |
| 190 | I | A | -1.0827 | |
| 191 | S | A | -1.3192 | |
| 192 | C | A | -1.3309 | |
| 193 | K | A | -1.9164 | |
| 194 | Q | A | -1.5010 | |
| 195 | T | A | 0.0000 | |
| 196 | E | A | -1.4242 | |
| 197 | L | A | -0.2880 | |
| 198 | S | A | -0.4213 | |
| 199 | L | A | 0.0000 | |
| 200 | D | A | -1.1080 | |
| 201 | L | A | 0.0081 | |
| 202 | A | A | -0.3324 | |
| 203 | L | A | 0.0000 | |
| 204 | S | A | -1.4233 | |
| 205 | K | A | -2.1740 | |
| 206 | Y | A | 0.0000 | |
| 207 | L | A | 0.0000 | |
| 208 | S | A | -1.1087 | |
| 209 | D | A | -1.6244 | |
| 210 | L | A | 0.0000 | |
| 211 | L | A | 0.8503 | |
| 212 | F | A | 1.6509 | |
| 213 | V | A | 0.9274 | |
| 214 | F | A | 0.0000 | |
| 215 | G | A | 0.1176 | |
| 216 | P | A | -0.8233 | |
| 217 | N | A | -1.2115 | |
| 218 | L | A | -0.9470 | |
| 219 | Q | A | -1.9930 | |
| 220 | D | A | -1.6589 | |
| 221 | P | A | 0.0000 | |
| 222 | V | A | 0.0000 | |
| 223 | S | A | -0.7141 | |
| 224 | N | A | -1.0427 | |
| 225 | S | A | -0.7500 | |
| 226 | M | A | -0.3572 | |
| 227 | T | A | -0.5278 | |
| 228 | I | A | 0.0000 | |
| 229 | Q | A | -0.9373 | |
| 230 | A | A | 0.1067 | |
| 231 | I | A | 0.0000 | |
| 232 | S | A | 0.0000 | |
| 233 | Q | A | -0.5761 | |
| 234 | A | A | 0.0000 | |
| 235 | F | A | 0.0000 | |
| 236 | G | A | -1.0582 | |
| 237 | G | A | -1.2403 | |
| 238 | N | A | -1.2686 | |
| 239 | Y | A | -1.1032 | |
| 240 | E | A | -1.6881 | |
| 241 | T | A | -1.2112 | |
| 242 | L | A | 0.0000 | |
| 243 | L | A | 0.0000 | |
| 244 | R | A | -2.1220 | |
| 245 | T | A | -1.0525 | |
| 246 | L | A | 0.0000 | |
| 247 | G | A | -0.7665 | |
| 248 | Y | A | 0.0258 | |
| 249 | A | A | -0.4459 | |
| 250 | T | A | -0.9903 | |
| 251 | E | A | -2.5263 | |
| 252 | D | A | -2.0627 | |
| 253 | F | A | -1.5426 | |
| 254 | D | A | -2.8135 | |
| 255 | D | A | -2.3313 | |
| 256 | L | A | 0.0000 | |
| 257 | L | A | -1.9643 | |
| 258 | E | A | -2.5780 | |
| 259 | S | A | 0.0000 | |
| 260 | D | A | -1.7065 | |
| 261 | S | A | 0.0000 | |
| 262 | I | A | 0.0000 | |
| 263 | T | A | -0.5363 | |
| 264 | G | A | 0.0000 | |
| 265 | Q | A | 0.0000 | |
| 266 | I | A | 0.0000 | |
| 267 | I | A | 0.0000 | |
| 268 | Y | A | -0.1843 | |
| 269 | V | A | 0.0000 | |
| 270 | D | A | 0.0000 | |
| 271 | L | A | -0.0131 | |
| 272 | S | A | -0.1784 | |
| 273 | S | A | 0.0000 | |
| 274 | Y | A | 0.0000 | |
| 275 | Y | A | 0.0000 | |
| 276 | I | A | 0.0000 | |
| 277 | I | A | 0.0000 | |
| 278 | V | A | 0.0000 | |
| 279 | R | A | -0.5194 | |
| 280 | V | A | 0.0000 | |
| 281 | Y | A | -0.0724 | |
| 282 | F | A | 0.0000 | |
| 283 | P | A | 0.0000 | |
| 284 | I | A | 0.9727 | |
| 285 | L | A | -0.1712 | |
| 286 | T | A | -0.7096 | |
| 287 | E | A | -2.0729 | |
| 288 | I | A | -1.4518 | |
| 289 | Q | A | -2.3328 | |
| 290 | Q | A | -2.3573 | |
| 291 | A | A | 0.0000 | |
| 292 | Y | A | -0.9769 | |
| 293 | I | A | 0.0000 | |
| 294 | Q | A | 0.0000 | |
| 295 | E | A | -0.4863 | |
| 296 | L | A | 0.0000 | |
| 297 | L | A | 0.4992 | |
| 298 | P | A | 0.2177 | |
| 299 | V | A | 0.0000 | |
| 300 | S | A | 0.0000 | |
| 301 | F | A | 0.0000 | |
| 302 | N | A | -1.2084 | |
| 303 | N | A | -2.0212 | |
| 304 | D | A | -2.9652 | |
| 305 | N | A | -2.4729 | |
| 306 | S | A | -0.9868 | |
| 307 | E | A | -0.1755 | |
| 308 | W | A | 0.2518 | |
| 309 | I | A | 0.5280 | |
| 310 | S | A | 0.4501 | |
| 311 | I | A | 0.7511 | |
| 312 | V | A | 0.2930 | |
| 313 | P | A | -0.2050 | |
| 314 | N | A | -0.5284 | |
| 315 | F | A | -0.3637 | |
| 316 | I | A | 0.0000 | |
| 317 | L | A | 0.0000 | |
| 318 | V | A | 0.0000 | |
| 319 | R | A | -0.7786 | |
| 320 | N | A | -1.1626 | |
| 321 | T | A | 0.3180 | |
| 322 | L | A | 1.2418 | |
| 323 | I | A | 0.0000 | |
| 324 | S | A | -0.0623 | |
| 325 | N | A | -0.7805 | |
| 326 | I | A | 0.0000 | |
| 327 | E | A | -1.0023 | |
| 328 | I | A | 0.3212 | |
| 329 | G | A | 0.4210 | |
| 330 | F | A | 1.3859 | |
| 331 | C | A | 0.3627 | |
| 332 | L | A | 0.4530 | |
| 333 | I | A | 0.3763 | |
| 334 | T | A | -1.1030 | |
| 335 | K | A | -2.4968 | |
| 336 | R | A | -2.8299 | |
| 337 | S | A | 0.0000 | |
| 338 | V | A | 0.0000 | |
| 339 | I | A | 0.0000 | |
| 340 | C | A | 0.0000 | |
| 341 | N | A | -1.2098 | |
| 342 | Q | A | -1.8554 | |
| 343 | D | A | -2.2670 | |
| 344 | Y | A | -1.0302 | |
| 345 | A | A | -0.9901 | |
| 346 | T | A | -0.6927 | |
| 347 | P | A | -0.4848 | |
| 348 | M | A | -0.6332 | |
| 349 | T | A | -1.2081 | |
| 350 | N | A | -2.1181 | |
| 351 | N | A | -2.1352 | |
| 352 | M | A | -1.4562 | |
| 353 | R | A | -1.8713 | |
| 354 | E | A | -2.7099 | |
| 355 | C | A | 0.0000 | |
| 356 | L | A | 0.0000 | |
| 357 | T | A | -0.4995 | |
| 358 | G | A | 0.0000 | |
| 359 | S | A | -1.4263 | |
| 360 | T | A | 0.0000 | |
| 361 | E | A | -2.0001 | |
| 362 | K | A | -2.0298 | |
| 363 | C | A | 0.0000 | |
| 364 | P | A | -0.0910 | |
| 365 | R | A | 0.4599 | |
| 366 | E | A | 1.0404 | |
| 367 | L | A | 1.4614 | |
| 368 | V | A | 1.1998 | |
| 369 | V | A | 1.7778 | |
| 370 | S | A | 0.5066 | |
| 371 | S | A | -0.3333 | |
| 372 | H | A | -0.8683 | |
| 373 | V | A | -0.1371 | |
| 374 | P | A | -0.1530 | |
| 375 | R | A | 0.0836 | |
| 376 | F | A | 0.9656 | |
| 377 | A | A | 0.0000 | |
| 378 | L | A | 0.8304 | |
| 379 | S | A | -0.2881 | |
| 380 | N | A | -1.2812 | |
| 381 | G | A | -0.9997 | |
| 382 | V | A | 0.0000 | |
| 383 | L | A | 0.0000 | |
| 384 | F | A | 0.0000 | |
| 385 | A | A | 0.0000 | |
| 386 | N | A | 0.0000 | |
| 387 | C | A | 0.6231 | |
| 388 | I | A | 0.7800 | |
| 389 | S | A | 0.5538 | |
| 390 | V | A | 0.5317 | |
| 391 | T | A | 0.1505 | |
| 392 | C | A | 0.0000 | |
| 393 | Q | A | -1.0370 | |
| 394 | C | A | 0.0000 | |
| 395 | Q | A | -1.1749 | |
| 396 | T | A | -1.0305 | |
| 397 | T | A | -1.2155 | |
| 398 | G | A | -1.6755 | |
| 399 | R | A | -2.2826 | |
| 400 | A | A | -1.1752 | |
| 401 | I | A | -0.2723 | |
| 402 | S | A | -0.2209 | |
| 403 | Q | A | -0.4719 | |
| 404 | S | A | -1.0216 | |
| 405 | G | A | -2.0502 | |
| 406 | E | A | -2.7632 | |
| 407 | Q | A | -1.6758 | |
| 408 | T | A | 0.0000 | |
| 409 | L | A | 0.0000 | |
| 410 | L | A | 0.0000 | |
| 411 | M | A | 0.1637 | |
| 412 | I | A | 0.0000 | |
| 413 | D | A | 0.0000 | |
| 414 | N | A | -1.0524 | |
| 415 | T | A | -0.4803 | |
| 416 | T | A | -0.4151 | |
| 417 | C | A | 0.0000 | |
| 418 | P | A | -0.7441 | |
| 419 | T | A | -0.0453 | |
| 420 | A | A | 0.0000 | |
| 421 | V | A | 0.4303 | |
| 422 | L | A | 0.0000 | |
| 423 | G | A | -0.5252 | |
| 424 | N | A | -0.6470 | |
| 425 | V | A | 1.0670 | |
| 426 | I | A | 1.9804 | |
| 427 | I | A | 1.3925 | |
| 428 | S | A | 0.1908 | |
| 429 | L | A | -0.3577 | |
| 430 | G | A | -1.1665 | |
| 431 | K | A | -1.6650 | |
| 432 | Y | A | 0.0141 | |
| 433 | L | A | 1.1917 | |
| 434 | G | A | 0.4995 | |
| 435 | S | A | 0.2260 | |
| 436 | V | A | 1.1800 | |
| 437 | N | A | -1.2461 | |
| 438 | Y | A | 0.0000 | |
| 439 | N | A | -1.5024 | |
| 440 | S | A | -1.8977 | |
| 441 | E | A | -2.5901 | |
| 442 | G | A | -1.8319 | |
| 443 | I | A | -0.6420 | |
| 444 | A | A | -0.2604 | |
| 445 | I | A | -0.2898 | |
| 446 | G | A | 0.0000 | |
| 447 | P | A | -0.6815 | |
| 448 | P | A | 0.5063 | |
| 449 | V | A | 1.0681 | |
| 450 | F | A | 1.4875 | |
| 451 | T | A | -0.1232 | |
| 452 | D | A | -1.6342 | |
| 453 | K | A | -1.5277 | |
| 454 | V | A | 0.2141 | |
| 455 | D | A | -0.4780 | |
| 456 | I | A | 0.1907 | |
| 457 | S | A | -0.0009 | |
| 458 | S | A | -0.4491 | |
| 459 | Q | A | -0.1059 | |
| 460 | I | A | 0.4971 | |
| 461 | S | A | -0.4329 | |
| 462 | S | A | -0.6378 | |
| 463 | M | A | -0.2587 | |
| 464 | N | A | -1.5672 | |
| 465 | Q | A | -2.2822 | |
| 466 | S | A | -1.5726 | |
| 467 | L | A | -1.2149 | |
| 468 | Q | A | -2.6745 | |
| 469 | Q | A | -2.5708 | |
| 470 | S | A | -1.9891 | |
| 471 | K | A | -2.4853 |
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