| Chain sequence(s) |
A: MKVEEFMKRHGIGVGDYVKVVKVEDDDKVEYEGLIMPPYELSEGDTLVIKLDNGYNVGIAVNKIVSIEVIERAKAKPEVHFRAELEPKPGLPSITILGTGGTIASRIDYETGAVYPAFTAEELAKAVPEIFEIANVKPKLLFNIFSEDMKPSHWVKIAHEVAKELNSGAYGVVVAHGTDTMGYTSAALSFMLRDLNKPVILVGAQRSSDRPSSDAAMNLICSVRMATSEVAEVMVVMHGETGDTYCLAHRGTKVRKMHTSRRDAFRSINDIPIAKIWSDGRIEFLRDDYRRRSEGDVWVDDKLEEKVALVKIYPGVSPEIIDFFVDRGYKGIVIEGTGLGHTPNDMIPSIRRAVEEGVAVCMTSQCLYGRVNMNVYATGRKLLKAGVIPCEDMLPETAYVKLMWVLGHTQDLNEVRNMMLTNYAGEITPYTKPNTYLI
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] (00:00:02)
[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 minimalization (00:00:02)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:05:44)
[INFO] Main: Simulation completed successfully. (00:05:47)
|
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 | |
| 1 | M | A | -0.5416 | |
| 2 | K | A | -2.3219 | |
| 3 | V | A | 0.0000 | |
| 4 | E | A | -3.1068 | |
| 5 | E | A | -3.3403 | |
| 6 | F | A | 0.0000 | |
| 7 | M | A | 0.0000 | |
| 8 | K | A | -3.8266 | |
| 9 | R | A | -3.7076 | |
| 10 | H | A | -2.7123 | |
| 11 | G | A | -2.2309 | |
| 12 | I | A | 0.0000 | |
| 13 | G | A | -0.3245 | |
| 14 | V | A | 1.1006 | |
| 15 | G | A | -0.4507 | |
| 16 | D | A | 0.0000 | |
| 17 | Y | A | -1.0335 | |
| 18 | V | A | 0.0000 | |
| 19 | K | A | -1.5551 | |
| 20 | V | A | 0.0000 | |
| 21 | V | A | -0.8463 | |
| 22 | K | A | 0.0000 | |
| 23 | V | A | -2.0175 | |
| 24 | E | A | -3.2087 | |
| 25 | D | A | -3.7500 | |
| 26 | D | A | -3.9512 | |
| 27 | D | A | -4.2139 | |
| 28 | K | A | -3.2341 | |
| 29 | V | A | -1.8609 | |
| 30 | E | A | -2.2306 | |
| 31 | Y | A | -1.3849 | |
| 32 | E | A | -1.8743 | |
| 33 | G | A | 0.0000 | |
| 34 | L | A | -0.6769 | |
| 35 | I | A | 0.0000 | |
| 36 | M | A | 0.0000 | |
| 37 | P | A | 0.1451 | |
| 38 | P | A | -0.3056 | |
| 39 | Y | A | 0.4892 | |
| 40 | E | A | -0.7827 | |
| 41 | L | A | 0.5898 | |
| 42 | S | A | -0.7017 | |
| 43 | E | A | -2.2807 | |
| 44 | G | A | 0.0000 | |
| 45 | D | A | -2.8689 | |
| 46 | T | A | -1.5968 | |
| 47 | L | A | 0.0000 | |
| 48 | V | A | 0.0000 | |
| 49 | I | A | 0.0000 | |
| 50 | K | A | -1.0208 | |
| 51 | L | A | -1.1646 | |
| 52 | D | A | -2.6007 | |
| 53 | N | A | -1.9330 | |
| 54 | G | A | -1.1385 | |
| 55 | Y | A | 0.2136 | |
| 56 | N | A | -0.4621 | |
| 57 | V | A | 0.0076 | |
| 58 | G | A | -0.5700 | |
| 59 | I | A | 0.0000 | |
| 60 | A | A | -1.1585 | |
| 61 | V | A | 0.0000 | |
| 62 | N | A | -1.5842 | |
| 63 | K | A | -1.2445 | |
| 64 | I | A | -0.1170 | |
| 65 | V | A | 1.1799 | |
| 66 | S | A | 0.0178 | |
| 67 | I | A | -0.6277 | |
| 68 | E | A | -1.7347 | |
| 69 | V | A | -0.8944 | |
| 70 | I | A | -0.2025 | |
| 71 | E | A | -2.2638 | |
| 72 | R | A | -2.5024 | |
| 73 | A | A | -1.9629 | |
| 74 | K | A | -2.8944 | |
| 75 | A | A | -2.1255 | |
| 76 | K | A | -2.4779 | |
| 77 | P | A | -1.7941 | |
| 78 | E | A | -1.7257 | |
| 79 | V | A | 0.2131 | |
| 80 | H | A | -0.7270 | |
| 81 | F | A | -0.6597 | |
| 82 | R | A | -1.6839 | |
| 83 | A | A | -1.6137 | |
| 84 | E | A | -2.7856 | |
| 85 | L | A | -2.0345 | |
| 86 | E | A | -2.5041 | |
| 87 | P | A | -2.2378 | |
| 88 | K | A | -2.3899 | |
| 89 | P | A | -1.3708 | |
| 90 | G | A | -0.8475 | |
| 91 | L | A | -0.6947 | |
| 92 | P | A | -0.2545 | |
| 93 | S | A | -0.5939 | |
| 94 | I | A | 0.0000 | |
| 95 | T | A | 0.0000 | |
| 96 | I | A | 0.0000 | |
| 97 | L | A | 0.0000 | |
| 98 | G | A | 0.0000 | |
| 99 | T | A | 0.0000 | |
| 100 | G | A | 0.2055 | |
| 101 | G | A | -0.1122 | |
| 102 | T | A | -0.1305 | |
| 103 | I | A | 0.0000 | |
| 104 | A | A | 0.0000 | |
| 105 | S | A | -0.4937 | |
| 106 | R | A | -0.7976 | |
| 107 | I | A | -0.0029 | |
| 108 | D | A | -0.0468 | |
| 109 | Y | A | 0.2254 | |
| 110 | E | A | -1.5816 | |
| 111 | T | A | -0.5338 | |
| 112 | G | A | -0.3621 | |
| 113 | A | A | 0.1211 | |
| 114 | V | A | 0.7997 | |
| 115 | Y | A | 0.4827 | |
| 116 | P | A | -0.1817 | |
| 117 | A | A | 0.0000 | |
| 118 | F | A | 0.1777 | |
| 119 | T | A | -1.0162 | |
| 120 | A | A | 0.0000 | |
| 121 | E | A | -1.4594 | |
| 122 | E | A | -1.4379 | |
| 123 | L | A | 0.0000 | |
| 124 | A | A | -1.3565 | |
| 125 | K | A | -2.1531 | |
| 126 | A | A | -1.2597 | |
| 127 | V | A | 0.0000 | |
| 128 | P | A | -1.7255 | |
| 129 | E | A | -2.3564 | |
| 130 | I | A | 0.0000 | |
| 131 | F | A | -1.5018 | |
| 132 | E | A | -2.3880 | |
| 133 | I | A | 0.0000 | |
| 134 | A | A | 0.0000 | |
| 135 | N | A | -1.5920 | |
| 136 | V | A | 0.0000 | |
| 137 | K | A | -1.9771 | |
| 138 | P | A | -1.0883 | |
| 139 | K | A | -0.6157 | |
| 140 | L | A | 0.4864 | |
| 141 | L | A | 0.1227 | |
| 142 | F | A | 0.0781 | |
| 143 | N | A | -0.4205 | |
| 144 | I | A | 0.0685 | |
| 145 | F | A | 0.4339 | |
| 146 | S | A | 0.0000 | |
| 147 | E | A | -2.6580 | |
| 148 | D | A | -2.5700 | |
| 149 | M | A | 0.0000 | |
| 150 | K | A | -2.5630 | |
| 151 | P | A | 0.0000 | |
| 152 | S | A | -1.2512 | |
| 153 | H | A | -1.2309 | |
| 154 | W | A | 0.0000 | |
| 155 | V | A | -1.1383 | |
| 156 | K | A | -1.3543 | |
| 157 | I | A | 0.0000 | |
| 158 | A | A | 0.0000 | |
| 159 | H | A | -1.3296 | |
| 160 | E | A | -1.4514 | |
| 161 | V | A | 0.0000 | |
| 162 | A | A | 0.0000 | |
| 163 | K | A | -2.4089 | |
| 164 | E | A | 0.0000 | |
| 165 | L | A | 0.0000 | |
| 166 | N | A | -2.4093 | |
| 167 | S | A | -1.5048 | |
| 168 | G | A | -1.1770 | |
| 169 | A | A | 0.0000 | |
| 170 | Y | A | 0.1435 | |
| 171 | G | A | 0.0000 | |
| 172 | V | A | 0.0000 | |
| 173 | V | A | 0.0000 | |
| 174 | V | A | 0.0000 | |
| 175 | A | A | 0.0000 | |
| 176 | H | A | 0.0000 | |
| 177 | G | A | 0.0000 | |
| 178 | T | A | -1.0223 | |
| 179 | D | A | -2.3105 | |
| 180 | T | A | -1.5277 | |
| 181 | M | A | 0.0000 | |
| 182 | G | A | -0.4491 | |
| 183 | Y | A | -0.1386 | |
| 184 | T | A | 0.0000 | |
| 185 | S | A | 0.0000 | |
| 186 | A | A | 0.0000 | |
| 187 | A | A | 0.0000 | |
| 188 | L | A | 0.0000 | |
| 189 | S | A | 0.0077 | |
| 190 | F | A | 0.0000 | |
| 191 | M | A | 0.0000 | |
| 192 | L | A | 0.0000 | |
| 193 | R | A | -0.8973 | |
| 194 | D | A | -2.3419 | |
| 195 | L | A | 0.0000 | |
| 196 | N | A | 0.0000 | |
| 197 | K | A | -1.7418 | |
| 198 | P | A | 0.0000 | |
| 199 | V | A | 0.0000 | |
| 200 | I | A | 0.0000 | |
| 201 | L | A | 0.0000 | |
| 202 | V | A | 0.0000 | |
| 203 | G | A | 0.0000 | |
| 204 | A | A | -0.5544 | |
| 205 | Q | A | -1.1582 | |
| 206 | R | A | -1.6474 | |
| 207 | S | A | -1.2033 | |
| 208 | S | A | -1.1605 | |
| 209 | D | A | -1.2501 | |
| 210 | R | A | -2.2185 | |
| 211 | P | A | -1.3172 | |
| 212 | S | A | -1.3003 | |
| 213 | S | A | -1.3785 | |
| 214 | D | A | 0.0000 | |
| 215 | A | A | 0.0000 | |
| 216 | A | A | -0.1837 | |
| 217 | M | A | -0.5346 | |
| 218 | N | A | 0.0000 | |
| 219 | L | A | 0.0000 | |
| 220 | I | A | 0.0000 | |
| 221 | C | A | 0.0000 | |
| 222 | S | A | 0.0000 | |
| 223 | V | A | 0.0000 | |
| 224 | R | A | -0.5858 | |
| 225 | M | A | 0.0000 | |
| 226 | A | A | 0.0000 | |
| 227 | T | A | -0.3243 | |
| 228 | S | A | 0.0000 | |
| 229 | E | A | -2.1198 | |
| 230 | V | A | 0.0000 | |
| 231 | A | A | 0.0000 | |
| 232 | E | A | -1.0842 | |
| 233 | V | A | 0.0000 | |
| 234 | M | A | 0.0000 | |
| 235 | V | A | 0.0000 | |
| 236 | V | A | 0.0000 | |
| 237 | M | A | 0.0000 | |
| 238 | H | A | 0.0000 | |
| 239 | G | A | 0.0000 | |
| 240 | E | A | -1.2024 | |
| 241 | T | A | -1.1237 | |
| 242 | G | A | -1.3019 | |
| 243 | D | A | -1.9965 | |
| 244 | T | A | -1.2022 | |
| 245 | Y | A | -0.8393 | |
| 246 | C | A | 0.0000 | |
| 247 | L | A | 0.0000 | |
| 248 | A | A | 0.0000 | |
| 249 | H | A | 0.0000 | |
| 250 | R | A | 0.0000 | |
| 251 | G | A | 0.0000 | |
| 252 | T | A | 0.0000 | |
| 253 | K | A | 0.0000 | |
| 254 | V | A | 0.0000 | |
| 255 | R | A | -0.8334 | |
| 256 | K | A | -1.1603 | |
| 257 | M | A | -0.4141 | |
| 258 | H | A | -0.9408 | |
| 259 | T | A | -0.9298 | |
| 260 | S | A | -1.0287 | |
| 261 | R | A | -1.5631 | |
| 262 | R | A | -1.4235 | |
| 263 | D | A | 0.0000 | |
| 264 | A | A | 0.0000 | |
| 265 | F | A | 0.0000 | |
| 266 | R | A | 0.0493 | |
| 267 | S | A | 0.0000 | |
| 268 | I | A | 0.0000 | |
| 269 | N | A | 0.0000 | |
| 270 | D | A | 0.0000 | |
| 271 | I | A | 0.0000 | |
| 272 | P | A | 0.0000 | |
| 273 | I | A | 0.0000 | |
| 274 | A | A | 0.0000 | |
| 275 | K | A | -0.5849 | |
| 276 | I | A | 0.0000 | |
| 277 | W | A | -1.4260 | |
| 278 | S | A | -1.5931 | |
| 279 | D | A | -2.4409 | |
| 280 | G | A | -1.9478 | |
| 281 | R | A | -2.3560 | |
| 282 | I | A | -0.9299 | |
| 283 | E | A | -1.0735 | |
| 284 | F | A | -0.3326 | |
| 285 | L | A | -0.2534 | |
| 286 | R | A | -1.3496 | |
| 287 | D | A | -2.7950 | |
| 288 | D | A | -3.0226 | |
| 289 | Y | A | 0.0000 | |
| 290 | R | A | -2.5207 | |
| 291 | R | A | -2.7892 | |
| 292 | R | A | -2.2106 | |
| 293 | S | A | -2.4482 | |
| 294 | E | A | -2.9065 | |
| 295 | G | A | -2.6841 | |
| 296 | D | A | -3.1292 | |
| 297 | V | A | 0.0000 | |
| 298 | W | A | -0.4019 | |
| 299 | V | A | -0.3760 | |
| 300 | D | A | -0.7427 | |
| 301 | D | A | -1.6162 | |
| 302 | K | A | -2.1056 | |
| 303 | L | A | -1.5183 | |
| 304 | E | A | -1.9550 | |
| 305 | E | A | -2.5076 | |
| 306 | K | A | -2.1814 | |
| 307 | V | A | 0.0000 | |
| 308 | A | A | 0.0000 | |
| 309 | L | A | 0.0757 | |
| 310 | V | A | 0.0000 | |
| 311 | K | A | -1.3648 | |
| 312 | I | A | 0.0000 | |
| 313 | Y | A | 0.1686 | |
| 314 | P | A | -0.0854 | |
| 315 | G | A | -0.5837 | |
| 316 | V | A | 0.0000 | |
| 317 | S | A | -0.9121 | |
| 318 | P | A | -1.3071 | |
| 319 | E | A | -1.5693 | |
| 320 | I | A | -0.0071 | |
| 321 | I | A | 0.0000 | |
| 322 | D | A | -1.1837 | |
| 323 | F | A | -0.4800 | |
| 324 | F | A | -0.8851 | |
| 325 | V | A | 0.0000 | |
| 326 | D | A | -2.7226 | |
| 327 | R | A | -2.5929 | |
| 328 | G | A | -1.9299 | |
| 329 | Y | A | -1.4678 | |
| 330 | K | A | -1.7521 | |
| 331 | G | A | 0.0000 | |
| 332 | I | A | 0.0000 | |
| 333 | V | A | 0.0000 | |
| 334 | I | A | 0.0000 | |
| 335 | E | A | -0.7612 | |
| 336 | G | A | 0.0000 | |
| 337 | T | A | -0.2700 | |
| 338 | G | A | -0.2550 | |
| 339 | L | A | 0.1236 | |
| 340 | G | A | 0.0000 | |
| 341 | H | A | -0.5393 | |
| 342 | T | A | 0.0000 | |
| 343 | P | A | -1.2493 | |
| 344 | N | A | -2.3468 | |
| 345 | D | A | -2.4950 | |
| 346 | M | A | 0.0000 | |
| 347 | I | A | -1.7565 | |
| 348 | P | A | -1.4085 | |
| 349 | S | A | 0.0000 | |
| 350 | I | A | 0.0000 | |
| 351 | R | A | -2.5418 | |
| 352 | R | A | -2.4012 | |
| 353 | A | A | 0.0000 | |
| 354 | V | A | -1.9733 | |
| 355 | E | A | -3.2322 | |
| 356 | E | A | -3.4036 | |
| 357 | G | A | -2.5046 | |
| 358 | V | A | 0.0000 | |
| 359 | A | A | 0.0000 | |
| 360 | V | A | 0.0000 | |
| 361 | C | A | 0.0000 | |
| 362 | M | A | 0.0000 | |
| 363 | T | A | 0.0000 | |
| 364 | S | A | -0.4848 | |
| 365 | Q | A | -0.3896 | |
| 366 | C | A | 0.4412 | |
| 367 | L | A | 0.4034 | |
| 368 | Y | A | 0.6970 | |
| 369 | G | A | -0.0502 | |
| 370 | R | A | -0.4927 | |
| 371 | V | A | 0.0000 | |
| 372 | N | A | -0.7049 | |
| 373 | M | A | 0.0000 | |
| 374 | N | A | -0.7662 | |
| 375 | V | A | 1.2643 | |
| 376 | Y | A | 1.2188 | |
| 377 | A | A | -0.0636 | |
| 378 | T | A | -0.7824 | |
| 379 | G | A | 0.0000 | |
| 380 | R | A | -2.0154 | |
| 381 | K | A | -2.6047 | |
| 382 | L | A | 0.0000 | |
| 383 | L | A | -1.6194 | |
| 384 | K | A | -2.4534 | |
| 385 | A | A | 0.0000 | |
| 386 | G | A | -1.4029 | |
| 387 | V | A | 0.0000 | |
| 388 | I | A | 0.0000 | |
| 389 | P | A | -0.3930 | |
| 390 | C | A | 0.0000 | |
| 391 | E | A | -0.5619 | |
| 392 | D | A | 0.0000 | |
| 393 | M | A | 0.0000 | |
| 394 | L | A | 0.0000 | |
| 395 | P | A | 0.0000 | |
| 396 | E | A | 0.0000 | |
| 397 | T | A | 0.0000 | |
| 398 | A | A | 0.0000 | |
| 399 | Y | A | 0.1835 | |
| 400 | V | A | 0.0000 | |
| 401 | K | A | 0.0000 | |
| 402 | L | A | 0.0000 | |
| 403 | M | A | 0.0000 | |
| 404 | W | A | 0.0000 | |
| 405 | V | A | 0.0000 | |
| 406 | L | A | 0.0000 | |
| 407 | G | A | -1.4902 | |
| 408 | H | A | -1.4850 | |
| 409 | T | A | -1.9119 | |
| 410 | Q | A | -2.6454 | |
| 411 | D | A | -3.3777 | |
| 412 | L | A | -2.3987 | |
| 413 | N | A | -3.1205 | |
| 414 | E | A | -3.3982 | |
| 415 | V | A | 0.0000 | |
| 416 | R | A | -2.1572 | |
| 417 | N | A | -2.4533 | |
| 418 | M | A | -1.2460 | |
| 419 | M | A | 0.0000 | |
| 420 | L | A | -0.4577 | |
| 421 | T | A | -0.6120 | |
| 422 | N | A | -1.0221 | |
| 423 | Y | A | -0.0986 | |
| 424 | A | A | -0.2958 | |
| 425 | G | A | -0.5641 | |
| 426 | E | A | 0.0000 | |
| 427 | I | A | -0.1055 | |
| 428 | T | A | 0.0000 | |
| 429 | P | A | 0.1008 | |
| 430 | Y | A | 0.8223 | |
| 431 | T | A | 0.0407 | |
| 432 | K | A | -0.7206 | |
| 433 | P | A | -0.6330 | |
| 434 | N | A | -0.1931 | |
| 435 | T | A | 0.0000 | |
| 436 | Y | A | 2.2606 | |
| 437 | L | A | 3.0027 | |
| 438 | I | A | 2.9168 |
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