| Chain sequence(s) |
A: MVENNFPEDFKFGWSQSGFQSEMGYDNAMDDKSDWYVWVHDKENIQSGLVSGDMPENGPGYWNNYKSFHEAAQNMGLKMARIGVEWSRLFPEPFPEKIMADAKNNSLEINNNILSELDKYVNKDALNHYIEIFNDIKNRNIDLIINMYHWPLPVWLSDPVSVRKGIKTERSGWLNDRIVQLFALFSSYIVYKMEDLAVAFSTMNEPNVVYGNGFINIKSGFPPSYLSSEFASKVKNNILKAHSLAYDSMKKITDKPVGIIYANTYFTPLDPEKDNDAIAKADSDAKWSFFDPLIKGDKSLGINGNKLDWIGINYYTRTMLRKDGDGYISLKGYGHSGSPNTVTNDKRPTSDIGWEFYPEGLEYVIMNYWNRYKLPMYVTENGIADNGDYQRPYYLVSHIASVLRAINKGANVKGYLHWSLVDNYEWALGFSPKFGLIGYDENKKLYWRPSALVYKEIATKNCISPELKHLDSIPPINGLRK
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 (00:10:13)
[INFO] Main: Simulation completed successfully. (00:10:18)
|
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 | |
| 1 | M | A | 1.3413 | |
| 2 | V | A | 0.8584 | |
| 3 | E | A | -1.4968 | |
| 4 | N | A | -1.6229 | |
| 5 | N | A | -2.2523 | |
| 6 | F | A | 0.0000 | |
| 7 | P | A | -2.3420 | |
| 8 | E | A | -3.0784 | |
| 9 | D | A | -2.9805 | |
| 10 | F | A | 0.0000 | |
| 11 | K | A | -1.6207 | |
| 12 | F | A | 0.0000 | |
| 13 | G | A | 0.0000 | |
| 14 | W | A | 0.0000 | |
| 15 | S | A | 0.0000 | |
| 16 | Q | A | 0.0000 | |
| 17 | S | A | 0.0000 | |
| 18 | G | A | 0.0000 | |
| 19 | F | A | 0.0000 | |
| 20 | Q | A | 0.0000 | |
| 21 | S | A | 0.0000 | |
| 22 | E | A | 0.0000 | |
| 23 | M | A | 0.0000 | |
| 24 | G | A | -1.1969 | |
| 25 | Y | A | -1.2331 | |
| 26 | D | A | -2.2415 | |
| 27 | N | A | -1.9392 | |
| 28 | A | A | 0.0000 | |
| 29 | M | A | -0.7690 | |
| 30 | D | A | 0.0000 | |
| 31 | D | A | -1.0714 | |
| 32 | K | A | -1.2152 | |
| 33 | S | A | 0.0000 | |
| 34 | D | A | 0.0000 | |
| 35 | W | A | 0.0000 | |
| 36 | Y | A | 0.0005 | |
| 37 | V | A | 0.0774 | |
| 38 | W | A | 0.0000 | |
| 39 | V | A | 0.0000 | |
| 40 | H | A | -0.8330 | |
| 41 | D | A | -1.4982 | |
| 42 | K | A | -2.9055 | |
| 43 | E | A | -3.0278 | |
| 44 | N | A | 0.0000 | |
| 45 | I | A | -1.5651 | |
| 46 | Q | A | -2.2912 | |
| 47 | S | A | -1.5096 | |
| 48 | G | A | -1.2037 | |
| 49 | L | A | -0.6701 | |
| 50 | V | A | 0.0000 | |
| 51 | S | A | -0.2153 | |
| 52 | G | A | -0.6794 | |
| 53 | D | A | -0.7567 | |
| 54 | M | A | -0.6673 | |
| 55 | P | A | 0.0000 | |
| 56 | E | A | -1.2769 | |
| 57 | N | A | -1.7820 | |
| 58 | G | A | 0.0000 | |
| 59 | P | A | 0.0000 | |
| 60 | G | A | 0.0000 | |
| 61 | Y | A | 0.0000 | |
| 62 | W | A | 0.0000 | |
| 63 | N | A | -1.0922 | |
| 64 | N | A | -1.2240 | |
| 65 | Y | A | -1.3542 | |
| 66 | K | A | -2.1158 | |
| 67 | S | A | -1.7091 | |
| 68 | F | A | 0.0000 | |
| 69 | H | A | 0.0000 | |
| 70 | E | A | -2.1820 | |
| 71 | A | A | -1.1686 | |
| 72 | A | A | 0.0000 | |
| 73 | Q | A | -2.0942 | |
| 74 | N | A | -1.7394 | |
| 75 | M | A | 0.0000 | |
| 76 | G | A | -1.6495 | |
| 77 | L | A | 0.0000 | |
| 78 | K | A | -1.5837 | |
| 79 | M | A | 0.0000 | |
| 80 | A | A | 0.0000 | |
| 81 | R | A | 0.0000 | |
| 82 | I | A | 0.0000 | |
| 83 | G | A | 0.0000 | |
| 84 | V | A | 0.0000 | |
| 85 | E | A | 0.0000 | |
| 86 | W | A | 0.0000 | |
| 87 | S | A | 0.0000 | |
| 88 | R | A | 0.0000 | |
| 89 | L | A | 0.0000 | |
| 90 | F | A | 0.0000 | |
| 91 | P | A | -1.2578 | |
| 92 | E | A | -1.8671 | |
| 93 | P | A | -1.2630 | |
| 94 | F | A | 0.0000 | |
| 95 | P | A | -1.7653 | |
| 96 | E | A | -2.7057 | |
| 97 | K | A | -2.8201 | |
| 98 | I | A | 0.0000 | |
| 99 | M | A | -2.0351 | |
| 100 | A | A | -2.3703 | |
| 101 | D | A | -2.7297 | |
| 102 | A | A | 0.0000 | |
| 103 | K | A | -3.3135 | |
| 104 | N | A | -3.0244 | |
| 105 | N | A | -3.0243 | |
| 106 | S | A | -2.0984 | |
| 107 | L | A | 0.0000 | |
| 108 | E | A | -2.2902 | |
| 109 | I | A | -1.4429 | |
| 110 | N | A | -1.8435 | |
| 111 | N | A | -2.3849 | |
| 112 | N | A | -2.4038 | |
| 113 | I | A | -1.6456 | |
| 114 | L | A | 0.0000 | |
| 115 | S | A | -1.8223 | |
| 116 | E | A | -2.1902 | |
| 117 | L | A | 0.0000 | |
| 118 | D | A | -1.6825 | |
| 119 | K | A | -2.2689 | |
| 120 | Y | A | -1.3622 | |
| 121 | V | A | 0.0000 | |
| 122 | N | A | -2.2523 | |
| 123 | K | A | -2.9796 | |
| 124 | D | A | -2.9716 | |
| 125 | A | A | 0.0000 | |
| 126 | L | A | 0.0000 | |
| 127 | N | A | -2.7081 | |
| 128 | H | A | -2.0602 | |
| 129 | Y | A | 0.0000 | |
| 130 | I | A | -1.1826 | |
| 131 | E | A | -2.1531 | |
| 132 | I | A | 0.0000 | |
| 133 | F | A | 0.0000 | |
| 134 | N | A | -2.0880 | |
| 135 | D | A | -2.1985 | |
| 136 | I | A | 0.0000 | |
| 137 | K | A | -2.9729 | |
| 138 | N | A | -2.5845 | |
| 139 | R | A | -2.4521 | |
| 140 | N | A | -2.6298 | |
| 141 | I | A | 0.0000 | |
| 142 | D | A | -1.1919 | |
| 143 | L | A | 0.0000 | |
| 144 | I | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | N | A | 0.0000 | |
| 147 | M | A | 0.0000 | |
| 148 | Y | A | 0.0000 | |
| 149 | H | A | 0.0000 | |
| 150 | W | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | L | A | 0.0000 | |
| 153 | P | A | 0.0000 | |
| 154 | V | A | -0.5373 | |
| 155 | W | A | 0.0000 | |
| 156 | L | A | 0.0000 | |
| 157 | S | A | 0.0000 | |
| 158 | D | A | -0.4620 | |
| 159 | P | A | 0.0000 | |
| 160 | V | A | -0.3359 | |
| 161 | S | A | -0.6508 | |
| 162 | V | A | 0.0000 | |
| 163 | R | A | -0.6544 | |
| 164 | K | A | -1.6018 | |
| 165 | G | A | -0.8798 | |
| 166 | I | A | 0.0480 | |
| 167 | K | A | -1.7654 | |
| 168 | T | A | -1.7376 | |
| 169 | E | A | -2.7258 | |
| 170 | R | A | -2.1177 | |
| 171 | S | A | -1.3799 | |
| 172 | G | A | 0.0000 | |
| 173 | W | A | 0.0000 | |
| 174 | L | A | 0.0000 | |
| 175 | N | A | -1.7144 | |
| 176 | D | A | -2.1680 | |
| 177 | R | A | -2.1378 | |
| 178 | I | A | 0.0000 | |
| 179 | V | A | 0.0000 | |
| 180 | Q | A | 0.0000 | |
| 181 | L | A | 0.0000 | |
| 182 | F | A | 0.0000 | |
| 183 | A | A | 0.0000 | |
| 184 | L | A | 0.0000 | |
| 185 | F | A | 0.0000 | |
| 186 | S | A | 0.0000 | |
| 187 | S | A | 0.0000 | |
| 188 | Y | A | 0.0000 | |
| 189 | I | A | 0.0000 | |
| 190 | V | A | 0.0000 | |
| 191 | Y | A | -0.4981 | |
| 192 | K | A | -0.8718 | |
| 193 | M | A | 0.0000 | |
| 194 | E | A | -1.4833 | |
| 195 | D | A | -2.1681 | |
| 196 | L | A | 0.0000 | |
| 197 | A | A | 0.0000 | |
| 198 | V | A | -0.0298 | |
| 199 | A | A | 0.0000 | |
| 200 | F | A | 0.0000 | |
| 201 | S | A | 0.0000 | |
| 202 | T | A | 0.0000 | |
| 203 | M | A | 0.0000 | |
| 204 | N | A | 0.0000 | |
| 205 | E | A | 0.0000 | |
| 206 | P | A | 0.0000 | |
| 207 | N | A | -0.0617 | |
| 208 | V | A | 0.1451 | |
| 209 | V | A | 0.3097 | |
| 210 | Y | A | 0.0473 | |
| 211 | G | A | 0.2263 | |
| 212 | N | A | -0.2595 | |
| 213 | G | A | 0.0000 | |
| 214 | F | A | 0.0000 | |
| 215 | I | A | 0.7602 | |
| 216 | N | A | -0.8632 | |
| 217 | I | A | -0.3793 | |
| 218 | K | A | -1.6453 | |
| 219 | S | A | -0.8771 | |
| 220 | G | A | 0.0000 | |
| 221 | F | A | 0.0000 | |
| 222 | P | A | 0.1060 | |
| 223 | P | A | -0.0086 | |
| 224 | S | A | 0.0632 | |
| 225 | Y | A | 0.7143 | |
| 226 | L | A | 1.5349 | |
| 227 | S | A | 0.4740 | |
| 228 | S | A | -0.3545 | |
| 229 | E | A | -1.5593 | |
| 230 | F | A | -0.1835 | |
| 231 | A | A | 0.0000 | |
| 232 | S | A | -1.1700 | |
| 233 | K | A | -1.5215 | |
| 234 | V | A | 0.0000 | |
| 235 | K | A | -0.9115 | |
| 236 | N | A | -1.0381 | |
| 237 | N | A | 0.0000 | |
| 238 | I | A | 0.0000 | |
| 239 | L | A | 0.0000 | |
| 240 | K | A | -0.6524 | |
| 241 | A | A | 0.0000 | |
| 242 | H | A | 0.0000 | |
| 243 | S | A | -0.5197 | |
| 244 | L | A | 0.0233 | |
| 245 | A | A | 0.0000 | |
| 246 | Y | A | -0.6985 | |
| 247 | D | A | -1.0653 | |
| 248 | S | A | 0.0000 | |
| 249 | M | A | 0.0000 | |
| 250 | K | A | -1.8354 | |
| 251 | K | A | -2.2341 | |
| 252 | I | A | -1.1667 | |
| 253 | T | A | 0.0000 | |
| 254 | D | A | -2.3595 | |
| 255 | K | A | -1.4656 | |
| 256 | P | A | -0.7732 | |
| 257 | V | A | 0.0000 | |
| 258 | G | A | 0.0000 | |
| 259 | I | A | 0.0000 | |
| 260 | I | A | 0.0000 | |
| 261 | Y | A | 0.0000 | |
| 262 | A | A | 0.0151 | |
| 263 | N | A | 0.0000 | |
| 264 | T | A | 0.0934 | |
| 265 | Y | A | 0.1830 | |
| 266 | F | A | 0.0000 | |
| 267 | T | A | 0.0000 | |
| 268 | P | A | -1.2265 | |
| 269 | L | A | -0.3463 | |
| 270 | D | A | -1.7276 | |
| 271 | P | A | -2.3965 | |
| 272 | E | A | -3.3361 | |
| 273 | K | A | -3.5753 | |
| 274 | D | A | 0.0000 | |
| 275 | N | A | -3.3856 | |
| 276 | D | A | -3.5245 | |
| 277 | A | A | 0.0000 | |
| 278 | I | A | 0.0000 | |
| 279 | A | A | -1.3569 | |
| 280 | K | A | -2.0063 | |
| 281 | A | A | 0.0000 | |
| 282 | D | A | 0.0000 | |
| 283 | S | A | -0.9555 | |
| 284 | D | A | -1.3494 | |
| 285 | A | A | -0.7019 | |
| 286 | K | A | 0.0000 | |
| 287 | W | A | 0.0000 | |
| 288 | S | A | -0.5272 | |
| 289 | F | A | 0.0000 | |
| 290 | F | A | 0.0000 | |
| 291 | D | A | -1.1152 | |
| 292 | P | A | -1.5888 | |
| 293 | L | A | 0.0000 | |
| 294 | I | A | -1.4891 | |
| 295 | K | A | -2.3678 | |
| 296 | G | A | -2.4170 | |
| 297 | D | A | -2.1097 | |
| 298 | K | A | -2.4072 | |
| 299 | S | A | -1.2596 | |
| 300 | L | A | -1.1704 | |
| 301 | G | A | -1.5513 | |
| 302 | I | A | 0.0000 | |
| 303 | N | A | -2.4651 | |
| 304 | G | A | 0.0000 | |
| 305 | N | A | -2.1125 | |
| 306 | K | A | -1.3474 | |
| 307 | L | A | 0.0000 | |
| 308 | D | A | -0.6886 | |
| 309 | W | A | 0.0000 | |
| 310 | I | A | 0.0000 | |
| 311 | G | A | 0.0000 | |
| 312 | I | A | 0.0000 | |
| 313 | N | A | 0.0000 | |
| 314 | Y | A | 0.0000 | |
| 315 | Y | A | 0.0000 | |
| 316 | T | A | 0.0000 | |
| 317 | R | A | 0.0000 | |
| 318 | T | A | -0.0860 | |
| 319 | M | A | 0.0000 | |
| 320 | L | A | 0.0000 | |
| 321 | R | A | -1.4243 | |
| 322 | K | A | -2.7478 | |
| 323 | D | A | -2.5531 | |
| 324 | G | A | -2.2574 | |
| 325 | D | A | -2.9249 | |
| 326 | G | A | -1.9763 | |
| 327 | Y | A | -1.0805 | |
| 328 | I | A | 0.3193 | |
| 329 | S | A | -0.1846 | |
| 330 | L | A | -0.4565 | |
| 331 | K | A | -1.8902 | |
| 332 | G | A | -1.6091 | |
| 333 | Y | A | 0.0000 | |
| 334 | G | A | 0.0000 | |
| 335 | H | A | -0.6721 | |
| 336 | S | A | -1.0305 | |
| 337 | G | A | -0.9394 | |
| 338 | S | A | -0.6599 | |
| 339 | P | A | -0.9063 | |
| 340 | N | A | -1.4007 | |
| 341 | T | A | -1.1387 | |
| 342 | V | A | -1.0104 | |
| 343 | T | A | 0.0000 | |
| 344 | N | A | -2.8691 | |
| 345 | D | A | -3.2283 | |
| 346 | K | A | -2.7711 | |
| 347 | R | A | -1.4391 | |
| 348 | P | A | 0.0000 | |
| 349 | T | A | 0.0000 | |
| 350 | S | A | 0.0000 | |
| 351 | D | A | -1.0930 | |
| 352 | I | A | -0.0701 | |
| 353 | G | A | 0.0000 | |
| 354 | W | A | -0.0809 | |
| 355 | E | A | 0.0000 | |
| 356 | F | A | 0.0000 | |
| 357 | Y | A | 0.0388 | |
| 358 | P | A | 0.0000 | |
| 359 | E | A | -0.5882 | |
| 360 | G | A | 0.0000 | |
| 361 | L | A | 0.0000 | |
| 362 | E | A | -0.4128 | |
| 363 | Y | A | 0.3067 | |
| 364 | V | A | 0.0000 | |
| 365 | I | A | 0.0000 | |
| 366 | M | A | -0.9076 | |
| 367 | N | A | -0.8304 | |
| 368 | Y | A | 0.0000 | |
| 369 | W | A | -1.5994 | |
| 370 | N | A | -2.1915 | |
| 371 | R | A | -2.0936 | |
| 372 | Y | A | -1.6197 | |
| 373 | K | A | -2.0643 | |
| 374 | L | A | -0.9255 | |
| 375 | P | A | -0.6292 | |
| 376 | M | A | 0.0000 | |
| 377 | Y | A | -0.2147 | |
| 378 | V | A | 0.0000 | |
| 379 | T | A | 0.0000 | |
| 380 | E | A | 0.0000 | |
| 381 | N | A | 0.0000 | |
| 382 | G | A | 0.0000 | |
| 383 | I | A | 0.0000 | |
| 384 | A | A | 0.0000 | |
| 385 | D | A | 0.0000 | |
| 386 | N | A | -1.5536 | |
| 387 | G | A | -1.0793 | |
| 388 | D | A | 0.0000 | |
| 389 | Y | A | 0.3084 | |
| 390 | Q | A | 0.0000 | |
| 391 | R | A | 0.0000 | |
| 392 | P | A | 0.3009 | |
| 393 | Y | A | -0.0061 | |
| 394 | Y | A | 0.0000 | |
| 395 | L | A | 0.0000 | |
| 396 | V | A | 0.0000 | |
| 397 | S | A | 0.0000 | |
| 398 | H | A | 0.0000 | |
| 399 | I | A | 0.0000 | |
| 400 | A | A | 0.0000 | |
| 401 | S | A | 0.0000 | |
| 402 | V | A | 0.0000 | |
| 403 | L | A | 0.0000 | |
| 404 | R | A | -1.6490 | |
| 405 | A | A | 0.0000 | |
| 406 | I | A | -1.5261 | |
| 407 | N | A | -2.4715 | |
| 408 | K | A | -2.6599 | |
| 409 | G | A | -1.8982 | |
| 410 | A | A | 0.0000 | |
| 411 | N | A | -1.1892 | |
| 412 | V | A | 0.0000 | |
| 413 | K | A | -1.4531 | |
| 414 | G | A | 0.0000 | |
| 415 | Y | A | 0.0000 | |
| 416 | L | A | 0.0000 | |
| 417 | H | A | 0.0000 | |
| 418 | W | A | 0.0000 | |
| 419 | S | A | 0.0000 | |
| 420 | L | A | 0.0000 | |
| 421 | V | A | 0.0000 | |
| 422 | D | A | 0.0000 | |
| 423 | N | A | 0.0000 | |
| 424 | Y | A | 0.0000 | |
| 425 | E | A | 0.0000 | |
| 426 | W | A | 0.0000 | |
| 427 | A | A | 0.0000 | |
| 428 | L | A | 0.7706 | |
| 429 | G | A | 0.0000 | |
| 430 | F | A | -0.0420 | |
| 431 | S | A | -0.2776 | |
| 432 | P | A | 0.0000 | |
| 433 | K | A | -0.8301 | |
| 434 | F | A | 0.0000 | |
| 435 | G | A | 0.0000 | |
| 436 | L | A | 0.0000 | |
| 437 | I | A | 0.0000 | |
| 438 | G | A | -0.0367 | |
| 439 | Y | A | -0.8182 | |
| 440 | D | A | -2.0828 | |
| 441 | E | A | -3.1684 | |
| 442 | N | A | -2.9137 | |
| 443 | K | A | -2.3172 | |
| 444 | K | A | -2.3343 | |
| 445 | L | A | -0.4659 | |
| 446 | Y | A | 1.0408 | |
| 447 | W | A | 1.1127 | |
| 448 | R | A | 0.3028 | |
| 449 | P | A | 0.2975 | |
| 450 | S | A | 0.0000 | |
| 451 | A | A | 0.0000 | |
| 452 | L | A | 0.6099 | |
| 453 | V | A | 0.0093 | |
| 454 | Y | A | 0.0000 | |
| 455 | K | A | -1.2864 | |
| 456 | E | A | -1.5735 | |
| 457 | I | A | 0.0000 | |
| 458 | A | A | 0.0000 | |
| 459 | T | A | -1.6830 | |
| 460 | K | A | -2.3616 | |
| 461 | N | A | -2.2499 | |
| 462 | C | A | -1.6207 | |
| 463 | I | A | 0.0000 | |
| 464 | S | A | 0.0000 | |
| 465 | P | A | -1.6633 | |
| 466 | E | A | -2.4767 | |
| 467 | L | A | -1.8611 | |
| 468 | K | A | -2.4492 | |
| 469 | H | A | -2.0934 | |
| 470 | L | A | 0.0000 | |
| 471 | D | A | -1.3466 | |
| 472 | S | A | -0.6118 | |
| 473 | I | A | 0.1799 | |
| 474 | P | A | 0.0000 | |
| 475 | P | A | -0.0877 | |
| 476 | I | A | -0.6376 | |
| 477 | N | A | -1.5363 | |
| 478 | G | A | -1.2430 | |
| 479 | L | A | -1.3139 | |
| 480 | R | A | -2.7954 | |
| 481 | K | A | -2.7341 |
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