| Chain sequence(s) |
A: ILHYEKLSKIGLVKGVTVKYKIKSNPRTKDIVIKMIPNVSNMSQCTGSVMENYKTQLNGILTPIKGALEIYKNNTHDLGVKMAGDAIGKATAAQITAGVALYEAMKNADNINKLKSSIESTNEAVVKLQETAEKTVYVLTALQDYINTDLVPTIDKISCKQTELSLELALSKYLSDLLRVFGPNLQDPVSNSMTIQAISQAFGGNYETLLRTLGYATEDFDDLLESDSITGQIIYVDLSSYYIIVRVYFPILTEIQQAYIQELLPVSFNNDNSEWISIVPNFILVRNTDISNIEIGFCLITKRSVICNQDYATPMTNNMRECLTGSTEKCPRELVRSSHVPRFALSNGVLFANCISVTCQCQTTGRAISQSGEQTLLMIDNTTCPTAVLGNKIISLGKYLGSVNYNSEGIAIGPPVKTDKRDISSQESSMNQSLQQSK
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 (00:04:38)
[INFO] Main: Simulation completed successfully. (00:04:43)
|
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 | 1.7243 | |
| 28 | L | A | 0.0000 | |
| 29 | H | A | -0.1720 | |
| 30 | Y | A | -0.3392 | |
| 31 | E | A | -1.0577 | |
| 32 | K | A | -1.0256 | |
| 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 | -0.6954 | |
| 41 | G | A | -0.2711 | |
| 42 | V | A | -0.2661 | |
| 43 | T | A | -0.6747 | |
| 44 | V | A | 0.0000 | |
| 45 | K | A | -2.3496 | |
| 46 | Y | A | 0.0000 | |
| 47 | K | A | -1.4037 | |
| 48 | I | A | -0.9500 | |
| 49 | K | A | -1.3035 | |
| 50 | S | A | -1.0900 | |
| 51 | N | A | -1.4587 | |
| 52 | P | A | -1.1297 | |
| 53 | R | A | -1.4071 | |
| 54 | T | A | -1.1555 | |
| 55 | K | A | -1.2844 | |
| 56 | D | A | -0.7507 | |
| 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 | -0.0421 | |
| 63 | P | A | 0.0000 | |
| 64 | N | A | -1.3194 | |
| 65 | V | A | -0.7528 | |
| 66 | S | A | -1.2327 | |
| 67 | N | A | -1.7151 | |
| 68 | M | A | 0.0000 | |
| 69 | S | A | -1.2670 | |
| 70 | Q | A | -1.5633 | |
| 71 | C | A | 0.0000 | |
| 72 | T | A | -1.2634 | |
| 73 | G | A | -1.3955 | |
| 74 | S | A | -1.5087 | |
| 75 | V | A | 0.0000 | |
| 76 | M | A | -1.8062 | |
| 77 | E | A | -2.9412 | |
| 78 | N | A | -2.8984 | |
| 79 | Y | A | 0.0000 | |
| 80 | K | A | -2.2725 | |
| 81 | T | A | -2.0693 | |
| 82 | Q | A | -2.0765 | |
| 83 | L | A | 0.0000 | |
| 84 | N | A | -1.2604 | |
| 85 | G | A | -1.1357 | |
| 86 | I | A | 0.0000 | |
| 87 | L | A | 0.0000 | |
| 88 | T | A | -0.5851 | |
| 89 | P | A | -0.9933 | |
| 90 | I | A | 0.0000 | |
| 91 | K | A | -0.8269 | |
| 92 | G | A | -0.7845 | |
| 93 | A | A | -0.7235 | |
| 94 | L | A | 0.0000 | |
| 95 | E | A | -1.2561 | |
| 96 | I | A | 0.2826 | |
| 97 | Y | A | 0.0000 | |
| 98 | K | A | -1.1733 | |
| 99 | N | A | -1.6307 | |
| 100 | N | A | -1.4638 | |
| 101 | T | A | -1.2704 | |
| 102 | H | A | -2.1425 | |
| 103 | D | A | -1.8501 | |
| 104 | L | A | 0.0089 | |
| 112 | G | A | -0.6635 | |
| 113 | V | A | -1.1322 | |
| 114 | K | A | -1.6507 | |
| 115 | M | A | -1.1017 | |
| 116 | A | A | -1.3591 | |
| 117 | G | A | -1.7166 | |
| 118 | D | A | -2.3060 | |
| 119 | A | A | -1.1725 | |
| 120 | I | A | -0.8914 | |
| 121 | G | A | -1.8562 | |
| 122 | K | A | -2.1151 | |
| 123 | A | A | -0.8228 | |
| 124 | T | A | -0.2797 | |
| 125 | A | A | 0.1919 | |
| 126 | A | A | 0.0474 | |
| 127 | Q | A | -0.2667 | |
| 128 | I | A | 0.5266 | |
| 129 | T | A | 0.3223 | |
| 130 | A | A | 0.0000 | |
| 131 | G | A | 0.0000 | |
| 132 | V | A | 0.1368 | |
| 133 | A | A | -0.3755 | |
| 134 | L | A | 0.0000 | |
| 135 | Y | A | -1.1278 | |
| 136 | E | A | -1.9529 | |
| 137 | A | A | 0.0000 | |
| 138 | M | A | -1.8349 | |
| 139 | K | A | -2.8690 | |
| 140 | N | A | -2.7043 | |
| 141 | A | A | 0.0000 | |
| 142 | D | A | -3.0802 | |
| 143 | N | A | -2.8219 | |
| 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 | -2.7387 | |
| 156 | E | A | -2.5980 | |
| 157 | A | A | -1.2432 | |
| 158 | V | A | -0.1905 | |
| 159 | V | A | -0.5482 | |
| 160 | K | A | -1.2332 | |
| 161 | L | A | -1.2808 | |
| 162 | Q | A | -2.5744 | |
| 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 | -1.8374 | |
| 169 | V | A | 0.0000 | |
| 170 | Y | A | -0.0815 | |
| 171 | V | A | 0.0000 | |
| 172 | L | A | 0.0000 | |
| 173 | T | A | 0.0000 | |
| 174 | A | A | 0.0000 | |
| 175 | L | A | -0.5730 | |
| 176 | Q | A | 0.0000 | |
| 177 | D | A | -2.4798 | |
| 178 | Y | A | -1.1620 | |
| 179 | I | A | 0.0000 | |
| 180 | N | A | -2.0746 | |
| 181 | T | A | -1.5385 | |
| 182 | D | A | -2.0596 | |
| 183 | L | A | 0.0000 | |
| 184 | V | A | -0.6431 | |
| 185 | P | A | -1.0006 | |
| 186 | T | A | -1.0889 | |
| 187 | I | A | -1.0647 | |
| 188 | D | A | -2.1218 | |
| 189 | K | A | -2.1080 | |
| 190 | I | A | -1.0866 | |
| 191 | S | A | -1.3187 | |
| 192 | C | A | -1.3440 | |
| 193 | K | A | -1.9335 | |
| 194 | Q | A | -1.5598 | |
| 195 | T | A | 0.0000 | |
| 196 | E | A | -1.5115 | |
| 197 | L | A | -0.4922 | |
| 198 | S | A | -0.6299 | |
| 199 | L | A | 0.0000 | |
| 200 | E | A | -1.4566 | |
| 201 | L | A | -0.2053 | |
| 202 | A | A | -0.4624 | |
| 203 | L | A | 0.0000 | |
| 204 | S | A | -1.4040 | |
| 205 | K | A | -2.2156 | |
| 206 | Y | A | 0.0000 | |
| 207 | L | A | -1.2586 | |
| 208 | S | A | -1.7934 | |
| 209 | D | A | -2.6754 | |
| 210 | L | A | 0.0000 | |
| 211 | L | A | -1.0945 | |
| 212 | R | A | -2.2014 | |
| 213 | V | A | -0.9723 | |
| 214 | F | A | 0.0000 | |
| 215 | G | A | -1.0182 | |
| 216 | P | A | -1.4260 | |
| 217 | N | A | -2.0024 | |
| 218 | L | A | -1.4584 | |
| 219 | Q | A | -1.9926 | |
| 220 | D | A | -1.6589 | |
| 221 | P | A | 0.0000 | |
| 222 | V | A | 0.0000 | |
| 223 | S | A | -0.7118 | |
| 224 | N | A | -1.0427 | |
| 225 | S | A | -0.7500 | |
| 226 | M | A | -0.3570 | |
| 227 | T | A | -0.5272 | |
| 228 | I | A | 0.0000 | |
| 229 | Q | A | -0.9392 | |
| 230 | A | A | -0.3100 | |
| 231 | I | A | 0.0000 | |
| 232 | S | A | 0.0000 | |
| 233 | Q | A | -1.0890 | |
| 234 | A | A | 0.0000 | |
| 235 | F | A | 0.0000 | |
| 236 | G | A | -1.0845 | |
| 237 | G | A | -1.2593 | |
| 238 | N | A | -1.2703 | |
| 239 | Y | A | -1.1048 | |
| 240 | E | A | -1.6877 | |
| 241 | T | A | -1.2109 | |
| 242 | L | A | 0.0000 | |
| 243 | L | A | 0.0000 | |
| 244 | R | A | -2.1365 | |
| 245 | T | A | -1.0632 | |
| 246 | L | A | 0.0000 | |
| 247 | G | A | -0.8041 | |
| 248 | Y | A | -0.0644 | |
| 249 | A | A | -0.4956 | |
| 250 | T | A | -1.0835 | |
| 251 | E | A | -2.5349 | |
| 252 | D | A | -2.1401 | |
| 253 | F | A | -1.6936 | |
| 254 | D | A | -2.8573 | |
| 255 | D | A | -2.3311 | |
| 256 | L | A | 0.0000 | |
| 257 | L | A | -1.9863 | |
| 258 | E | A | -2.5713 | |
| 259 | S | A | 0.0000 | |
| 260 | D | A | -1.7183 | |
| 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 | -0.1845 | |
| 269 | V | A | 0.0000 | |
| 270 | D | A | 0.0000 | |
| 271 | L | A | -0.0135 | |
| 272 | S | A | -0.1790 | |
| 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 | -0.7661 | |
| 280 | V | A | 0.0000 | |
| 281 | Y | A | -0.8272 | |
| 282 | F | A | 0.0000 | |
| 283 | P | A | 0.0000 | |
| 284 | I | A | 0.1744 | |
| 285 | L | A | -0.3934 | |
| 286 | T | A | -0.8238 | |
| 287 | E | A | -2.0734 | |
| 288 | I | A | -1.4614 | |
| 289 | Q | A | -2.3892 | |
| 290 | Q | A | -2.4881 | |
| 291 | A | A | 0.0000 | |
| 292 | Y | A | -0.9817 | |
| 293 | I | A | 0.0000 | |
| 294 | Q | A | 0.0000 | |
| 295 | E | A | -0.5334 | |
| 296 | L | A | 0.0000 | |
| 297 | L | A | 0.5067 | |
| 298 | P | A | 0.1915 | |
| 299 | V | A | 0.0000 | |
| 300 | S | A | 0.0000 | |
| 301 | F | A | 0.0000 | |
| 302 | N | A | -1.2030 | |
| 303 | N | A | -2.0170 | |
| 304 | D | A | -2.9629 | |
| 305 | N | A | -2.4704 | |
| 306 | S | A | -1.4639 | |
| 307 | E | A | -0.8707 | |
| 308 | W | A | -0.3315 | |
| 309 | I | A | 0.4304 | |
| 310 | S | A | 0.3563 | |
| 311 | I | A | 0.3214 | |
| 312 | V | A | 0.0000 | |
| 313 | P | A | -0.3206 | |
| 314 | N | A | -0.6435 | |
| 315 | F | A | -0.4507 | |
| 316 | I | A | 0.0000 | |
| 317 | L | A | 0.0000 | |
| 318 | V | A | 0.0000 | |
| 319 | R | A | -2.1325 | |
| 320 | N | A | -2.5817 | |
| 321 | T | A | -1.4259 | |
| 322 | D | A | -2.0972 | |
| 323 | I | A | 0.0000 | |
| 324 | S | A | -0.8229 | |
| 325 | N | A | -0.7895 | |
| 326 | I | A | 0.0000 | |
| 327 | E | A | -1.0028 | |
| 328 | I | A | 0.3731 | |
| 329 | G | A | 0.4590 | |
| 330 | F | A | 1.4140 | |
| 331 | C | A | 0.4259 | |
| 332 | L | A | 0.5752 | |
| 333 | I | A | 0.7840 | |
| 334 | T | A | -0.8923 | |
| 335 | K | A | -2.3309 | |
| 336 | R | A | -2.6628 | |
| 337 | S | A | 0.0000 | |
| 338 | V | A | 0.0000 | |
| 339 | I | A | 0.0000 | |
| 340 | C | A | 0.0000 | |
| 341 | N | A | -1.2197 | |
| 342 | Q | A | -1.8556 | |
| 343 | D | A | -2.2670 | |
| 344 | Y | A | -1.0305 | |
| 345 | A | A | -0.9934 | |
| 346 | T | A | -0.6855 | |
| 347 | P | A | -0.4706 | |
| 348 | M | A | -0.6309 | |
| 349 | T | A | -1.2021 | |
| 350 | N | A | -2.1112 | |
| 351 | N | A | -2.1191 | |
| 352 | M | A | -1.5099 | |
| 353 | R | A | -2.2709 | |
| 354 | E | A | -2.6627 | |
| 355 | C | A | 0.0000 | |
| 356 | L | A | 0.0000 | |
| 357 | T | A | -0.4924 | |
| 358 | G | A | 0.0000 | |
| 359 | S | A | -1.4225 | |
| 360 | T | A | 0.0000 | |
| 361 | E | A | -2.0131 | |
| 362 | K | A | -2.1026 | |
| 363 | C | A | 0.0000 | |
| 364 | P | A | -0.4996 | |
| 365 | R | A | -0.1127 | |
| 366 | E | A | -0.3315 | |
| 367 | L | A | -0.2059 | |
| 368 | V | A | -0.7307 | |
| 369 | R | A | -1.9283 | |
| 370 | S | A | -1.3037 | |
| 371 | S | A | -1.1178 | |
| 372 | H | A | -1.3225 | |
| 373 | V | A | -0.6141 | |
| 374 | P | A | -0.1359 | |
| 375 | R | A | 0.1080 | |
| 376 | F | A | 1.0241 | |
| 377 | A | A | 0.0000 | |
| 378 | L | A | 0.7841 | |
| 379 | S | A | -0.2825 | |
| 380 | N | A | -1.2689 | |
| 381 | G | A | -1.0246 | |
| 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 | 0.6313 | |
| 388 | I | A | 0.7787 | |
| 389 | S | A | 0.5591 | |
| 390 | V | A | 0.5378 | |
| 391 | T | A | 0.1496 | |
| 392 | C | A | 0.0000 | |
| 393 | Q | A | -1.0371 | |
| 394 | C | A | 0.0000 | |
| 395 | Q | A | -1.1883 | |
| 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 | 0.1654 | |
| 412 | I | A | 0.0000 | |
| 413 | D | A | 0.0000 | |
| 414 | N | A | -1.0526 | |
| 415 | T | A | -0.4807 | |
| 416 | T | A | -0.4151 | |
| 417 | C | A | 0.0000 | |
| 418 | P | A | -0.7594 | |
| 419 | T | A | -0.0782 | |
| 420 | A | A | 0.0000 | |
| 421 | V | A | -0.2272 | |
| 422 | L | A | 0.0000 | |
| 423 | G | A | -1.1821 | |
| 424 | N | A | -1.6576 | |
| 425 | K | A | -1.0442 | |
| 426 | I | A | 0.9152 | |
| 427 | I | A | 0.7721 | |
| 428 | S | A | 0.1390 | |
| 429 | L | A | -0.3915 | |
| 430 | G | A | -1.1773 | |
| 431 | K | A | -1.6662 | |
| 432 | Y | A | 0.0111 | |
| 433 | L | A | 1.1889 | |
| 434 | G | A | 0.4951 | |
| 435 | S | A | 0.2239 | |
| 436 | V | A | 1.1787 | |
| 437 | N | A | -1.2466 | |
| 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 | -0.6395 | |
| 444 | A | A | -0.2666 | |
| 445 | I | A | -0.2948 | |
| 446 | G | A | 0.0000 | |
| 447 | P | A | -0.6967 | |
| 448 | P | A | -0.1492 | |
| 449 | V | A | -0.3689 | |
| 450 | K | A | -1.7679 | |
| 451 | T | A | -1.9610 | |
| 452 | D | A | -3.4441 | |
| 453 | K | A | -3.5362 | |
| 454 | R | A | -3.5265 | |
| 455 | D | A | -3.1597 | |
| 456 | I | A | -1.9368 | |
| 457 | S | A | -1.9376 | |
| 458 | S | A | -2.0448 | |
| 459 | Q | A | -2.1075 | |
| 460 | E | A | -2.3891 | |
| 461 | S | A | -1.7700 | |
| 462 | S | A | -1.4763 | |
| 463 | M | A | -1.3006 | |
| 464 | N | A | -2.1812 | |
| 465 | Q | A | -2.6873 | |
| 466 | S | A | -1.7066 | |
| 467 | L | A | -1.5649 | |
| 468 | Q | A | -2.8069 | |
| 469 | Q | A | -2.6744 | |
| 470 | S | A | -2.1091 | |
| 471 | K | A | -2.6142 |
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