| Chain sequence(s) |
A: MTLELQSSIQSKSIITPPGPRGLPLVGSLAPLLGKHLHVTLNQLAKEYGNIFQIRMGIRTVVALNGIKTITEALIKQQKNFINRADFEFFSIPADGGLFEAKSGQAWEKHRGIAAKAMRTFVIDKSDRVEHHIMEEAAKLADSFLNYDGQPFDPDIPSSLAVGSIIHRVLFGTRGSSEDPDFVATARILQLFPPVTQRILISEFLPKILRPVFFIFNQKSLQDFQDVPATVDKLVSKNIEQHRNSFDPDNIRDMTDAFLKAANDLSESDKKNFNLSENHILRGTLMQLTGAGLEPVLIQLIWALLYMIAYPDIQAKIQQELDEVVGLGQQPCLNHRGKLPFTEACINEILRHSSISPIPFLYASTTDTTINGYSVHQGTPVIINLYSLTRDERYWQNPDKFDPDRFLDENCKIRSDLLDKFYPFGIGQRRCMGEYLARLEIFIFFTTLMHKCKLEKVPREKLSLEPKPGFFMRPQKYNIIAKSRF
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] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:08:43)
[INFO] Main: Simulation completed successfully. (00:08:46)
|
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 | 0.5032 | |
| 2 | T | A | 0.3276 | |
| 3 | L | A | 0.8555 | |
| 4 | E | A | 0.0000 | |
| 5 | L | A | 0.4385 | |
| 6 | Q | A | -0.2548 | |
| 7 | S | A | -0.5682 | |
| 8 | S | A | -0.0781 | |
| 9 | I | A | 0.2879 | |
| 10 | Q | A | -0.0883 | |
| 11 | S | A | -0.6791 | |
| 12 | K | A | -1.5466 | |
| 13 | S | A | -0.5490 | |
| 14 | I | A | 0.4288 | |
| 15 | I | A | 1.3280 | |
| 16 | T | A | 0.0000 | |
| 17 | P | A | 0.0000 | |
| 18 | P | A | 0.0000 | |
| 19 | G | A | 0.0000 | |
| 20 | P | A | -1.0010 | |
| 21 | R | A | -1.5797 | |
| 22 | G | A | -0.1629 | |
| 23 | L | A | 1.4573 | |
| 24 | P | A | 1.4468 | |
| 25 | L | A | 2.7044 | |
| 26 | V | A | 2.2763 | |
| 27 | G | A | 0.0000 | |
| 28 | S | A | 0.0000 | |
| 29 | L | A | 0.0000 | |
| 30 | A | A | 0.2955 | |
| 31 | P | A | 0.0914 | |
| 32 | L | A | 0.0000 | |
| 33 | L | A | 0.3462 | |
| 34 | G | A | -0.4935 | |
| 35 | K | A | -1.7512 | |
| 36 | H | A | -0.9061 | |
| 37 | L | A | 0.0000 | |
| 38 | H | A | 0.0000 | |
| 39 | V | A | 0.2540 | |
| 40 | T | A | -0.2014 | |
| 41 | L | A | 0.0000 | |
| 42 | N | A | -1.2273 | |
| 43 | Q | A | -1.9407 | |
| 44 | L | A | -1.6410 | |
| 45 | A | A | -1.9980 | |
| 46 | K | A | -2.9938 | |
| 47 | E | A | -2.6894 | |
| 48 | Y | A | -1.1740 | |
| 49 | G | A | -1.3993 | |
| 50 | N | A | -1.6801 | |
| 51 | I | A | 0.0000 | |
| 52 | F | A | 0.0000 | |
| 53 | Q | A | 0.0000 | |
| 54 | I | A | 0.0000 | |
| 55 | R | A | 0.2318 | |
| 56 | M | A | 0.0000 | |
| 57 | G | A | 0.0000 | |
| 58 | I | A | 1.9168 | |
| 59 | R | A | 0.6269 | |
| 60 | T | A | 0.0351 | |
| 61 | V | A | 0.0000 | |
| 62 | V | A | 0.0000 | |
| 63 | A | A | 0.0000 | |
| 64 | L | A | 0.0000 | |
| 65 | N | A | 0.0000 | |
| 66 | G | A | 0.0000 | |
| 67 | I | A | -1.0864 | |
| 68 | K | A | -1.9784 | |
| 69 | T | A | 0.0000 | |
| 70 | I | A | 0.0000 | |
| 71 | T | A | -0.8374 | |
| 72 | E | A | -1.4158 | |
| 73 | A | A | 0.0000 | |
| 74 | L | A | 0.0000 | |
| 75 | I | A | -0.3945 | |
| 76 | K | A | -1.7737 | |
| 77 | Q | A | -1.5056 | |
| 78 | Q | A | -1.5917 | |
| 79 | K | A | -2.1787 | |
| 80 | N | A | -1.7373 | |
| 81 | F | A | 0.0000 | |
| 82 | I | A | -0.8084 | |
| 83 | N | A | -1.1367 | |
| 84 | R | A | 0.0000 | |
| 85 | A | A | 0.0000 | |
| 86 | D | A | -2.4817 | |
| 87 | F | A | 0.0000 | |
| 88 | E | A | -1.9981 | |
| 89 | F | A | 0.0000 | |
| 90 | F | A | 0.0000 | |
| 91 | S | A | -0.5053 | |
| 92 | I | A | 0.6039 | |
| 93 | P | A | 0.0566 | |
| 94 | A | A | -0.0513 | |
| 95 | D | A | -0.8194 | |
| 96 | G | A | -0.3166 | |
| 97 | G | A | 0.0000 | |
| 98 | L | A | 0.0000 | |
| 99 | F | A | 0.5625 | |
| 100 | E | A | 0.0000 | |
| 101 | A | A | -0.6292 | |
| 102 | K | A | -1.5897 | |
| 103 | S | A | -1.5649 | |
| 104 | G | A | -1.7283 | |
| 105 | Q | A | -2.4366 | |
| 106 | A | A | -2.0266 | |
| 107 | W | A | 0.0000 | |
| 108 | E | A | -2.9050 | |
| 109 | K | A | -1.9187 | |
| 110 | H | A | 0.0000 | |
| 111 | R | A | -1.4466 | |
| 112 | G | A | -1.4801 | |
| 113 | I | A | -1.1091 | |
| 114 | A | A | 0.0000 | |
| 115 | A | A | -1.4328 | |
| 116 | K | A | -2.2767 | |
| 117 | A | A | 0.0000 | |
| 118 | M | A | 0.0000 | |
| 119 | R | A | -2.6999 | |
| 120 | T | A | -1.9190 | |
| 121 | F | A | -1.5536 | |
| 122 | V | A | 0.0000 | |
| 123 | I | A | -1.6986 | |
| 124 | D | A | -2.8693 | |
| 125 | K | A | -2.8414 | |
| 126 | S | A | -2.4889 | |
| 127 | D | A | -3.3585 | |
| 128 | R | A | -3.4882 | |
| 129 | V | A | 0.0000 | |
| 130 | E | A | -1.9738 | |
| 131 | H | A | -2.2243 | |
| 132 | H | A | -1.7374 | |
| 133 | I | A | 0.0000 | |
| 134 | M | A | -0.8735 | |
| 135 | E | A | -1.1121 | |
| 136 | E | A | 0.0000 | |
| 137 | A | A | 0.0000 | |
| 138 | A | A | -1.2282 | |
| 139 | K | A | -1.8466 | |
| 140 | L | A | 0.0000 | |
| 141 | A | A | 0.0000 | |
| 142 | D | A | -2.4308 | |
| 143 | S | A | -1.6655 | |
| 144 | F | A | 0.0000 | |
| 145 | L | A | -2.0522 | |
| 146 | N | A | -2.3032 | |
| 147 | Y | A | -1.6648 | |
| 148 | D | A | -2.5656 | |
| 149 | G | A | -1.9944 | |
| 150 | Q | A | -2.0078 | |
| 151 | P | A | -1.2601 | |
| 152 | F | A | 0.0000 | |
| 153 | D | A | -0.6927 | |
| 154 | P | A | 0.0000 | |
| 155 | D | A | 0.0000 | |
| 156 | I | A | 0.3568 | |
| 157 | P | A | 0.2307 | |
| 158 | S | A | 0.0000 | |
| 159 | S | A | 0.0000 | |
| 160 | L | A | 0.2962 | |
| 161 | A | A | 0.0000 | |
| 162 | V | A | 0.0000 | |
| 163 | G | A | 0.0000 | |
| 164 | S | A | 0.0000 | |
| 165 | I | A | 0.0000 | |
| 166 | I | A | 0.0000 | |
| 167 | H | A | 0.0000 | |
| 168 | R | A | -0.8862 | |
| 169 | V | A | 0.0000 | |
| 170 | L | A | 0.0000 | |
| 171 | F | A | 0.0000 | |
| 172 | G | A | -1.0933 | |
| 173 | T | A | -0.9033 | |
| 174 | R | A | -1.3265 | |
| 175 | G | A | 0.0000 | |
| 176 | S | A | -1.1192 | |
| 177 | S | A | -1.2417 | |
| 178 | E | A | -2.1325 | |
| 179 | D | A | -1.4117 | |
| 180 | P | A | -1.0223 | |
| 181 | D | A | -1.6593 | |
| 182 | F | A | 0.0000 | |
| 183 | V | A | -0.5991 | |
| 184 | A | A | -0.8155 | |
| 185 | T | A | 0.0000 | |
| 186 | A | A | 0.0000 | |
| 187 | R | A | -1.4180 | |
| 188 | I | A | -0.4885 | |
| 189 | L | A | 0.0000 | |
| 190 | Q | A | -0.2324 | |
| 191 | L | A | 0.3186 | |
| 192 | F | A | 0.5843 | |
| 193 | P | A | 0.0000 | |
| 194 | P | A | -0.1176 | |
| 195 | V | A | 0.0000 | |
| 196 | T | A | 0.0000 | |
| 197 | Q | A | -0.4796 | |
| 198 | R | A | -0.6437 | |
| 199 | I | A | 0.0000 | |
| 200 | L | A | 0.0000 | |
| 201 | I | A | 0.1918 | |
| 202 | S | A | 0.0000 | |
| 203 | E | A | 0.0000 | |
| 204 | F | A | 0.0000 | |
| 205 | L | A | 0.3053 | |
| 206 | P | A | 0.6037 | |
| 207 | K | A | -0.3472 | |
| 208 | I | A | 1.7148 | |
| 209 | L | A | 1.2461 | |
| 210 | R | A | 0.7880 | |
| 211 | P | A | 1.3996 | |
| 212 | V | A | 2.5554 | |
| 213 | F | A | 2.1407 | |
| 214 | F | A | 1.7574 | |
| 215 | I | A | 2.9724 | |
| 216 | F | A | 2.7092 | |
| 217 | N | A | 0.4641 | |
| 218 | Q | A | -0.9801 | |
| 219 | K | A | -2.1145 | |
| 220 | S | A | 0.0000 | |
| 221 | L | A | -1.0379 | |
| 222 | Q | A | -2.2694 | |
| 223 | D | A | 0.0000 | |
| 224 | F | A | 0.0000 | |
| 225 | Q | A | -1.7657 | |
| 226 | D | A | -1.3047 | |
| 227 | V | A | 0.0000 | |
| 228 | P | A | -0.8614 | |
| 229 | A | A | -1.0414 | |
| 230 | T | A | -1.2401 | |
| 231 | V | A | 0.0000 | |
| 232 | D | A | -1.4825 | |
| 233 | K | A | -2.3072 | |
| 234 | L | A | 0.0000 | |
| 235 | V | A | 0.0000 | |
| 236 | S | A | -1.9996 | |
| 237 | K | A | -2.8050 | |
| 238 | N | A | 0.0000 | |
| 239 | I | A | -2.3976 | |
| 240 | E | A | -3.7314 | |
| 241 | Q | A | -3.3495 | |
| 242 | H | A | 0.0000 | |
| 243 | R | A | -3.4637 | |
| 244 | N | A | -3.0792 | |
| 245 | S | A | -1.9184 | |
| 246 | F | A | -2.1892 | |
| 247 | D | A | -2.4213 | |
| 248 | P | A | -2.1797 | |
| 249 | D | A | -2.8460 | |
| 250 | N | A | -2.5157 | |
| 251 | I | A | -1.4324 | |
| 252 | R | A | -1.7262 | |
| 253 | D | A | 0.0000 | |
| 254 | M | A | 0.0000 | |
| 255 | T | A | 0.0000 | |
| 256 | D | A | 0.0000 | |
| 257 | A | A | -0.7719 | |
| 258 | F | A | 0.0000 | |
| 259 | L | A | 0.0000 | |
| 260 | K | A | -2.0429 | |
| 261 | A | A | -1.4865 | |
| 262 | A | A | 0.0000 | |
| 263 | N | A | -2.5976 | |
| 264 | D | A | -2.8970 | |
| 265 | L | A | -2.0805 | |
| 266 | S | A | -2.2519 | |
| 267 | E | A | -3.1888 | |
| 268 | S | A | -2.4521 | |
| 269 | D | A | -2.6672 | |
| 270 | K | A | -3.2213 | |
| 271 | K | A | -3.5993 | |
| 272 | N | A | -2.9710 | |
| 273 | F | A | -2.0989 | |
| 274 | N | A | -2.6282 | |
| 275 | L | A | 0.0000 | |
| 276 | S | A | -2.0282 | |
| 277 | E | A | -2.2511 | |
| 278 | N | A | -1.8734 | |
| 279 | H | A | -1.4233 | |
| 280 | I | A | 0.0000 | |
| 281 | L | A | 0.0000 | |
| 282 | R | A | -1.0801 | |
| 283 | G | A | 0.0000 | |
| 284 | T | A | 0.0000 | |
| 285 | L | A | 0.0000 | |
| 286 | M | A | -0.3391 | |
| 287 | Q | A | -0.0291 | |
| 288 | L | A | 0.1519 | |
| 289 | T | A | 0.0000 | |
| 290 | G | A | -0.0276 | |
| 291 | A | A | 0.0690 | |
| 292 | G | A | -0.1761 | |
| 293 | L | A | 0.0000 | |
| 294 | E | A | 0.0000 | |
| 295 | P | A | -0.0207 | |
| 296 | V | A | 0.0000 | |
| 297 | L | A | 0.0000 | |
| 298 | I | A | 0.0000 | |
| 299 | Q | A | 0.0000 | |
| 300 | L | A | 0.0000 | |
| 301 | I | A | 0.0000 | |
| 302 | W | A | 0.0000 | |
| 303 | A | A | 0.0000 | |
| 304 | L | A | 0.0000 | |
| 305 | L | A | 0.0000 | |
| 306 | Y | A | 0.0000 | |
| 307 | M | A | 0.0000 | |
| 308 | I | A | 0.0000 | |
| 309 | A | A | -0.3182 | |
| 310 | Y | A | -0.2533 | |
| 311 | P | A | -1.2510 | |
| 312 | D | A | -1.9319 | |
| 313 | I | A | -1.3034 | |
| 314 | Q | A | 0.0000 | |
| 315 | A | A | -1.5320 | |
| 316 | K | A | -2.0123 | |
| 317 | I | A | 0.0000 | |
| 318 | Q | A | 0.0000 | |
| 319 | Q | A | -1.8014 | |
| 320 | E | A | -1.8068 | |
| 321 | L | A | 0.0000 | |
| 322 | D | A | -1.3407 | |
| 323 | E | A | -2.0372 | |
| 324 | V | A | -1.1755 | |
| 325 | V | A | 0.0000 | |
| 326 | G | A | -0.5531 | |
| 327 | L | A | 0.6758 | |
| 328 | G | A | -0.1487 | |
| 329 | Q | A | -1.1807 | |
| 330 | Q | A | -0.8264 | |
| 331 | P | A | 0.0000 | |
| 332 | C | A | -0.5887 | |
| 333 | L | A | -0.9370 | |
| 334 | N | A | -1.6356 | |
| 335 | H | A | -1.5036 | |
| 336 | R | A | -1.5085 | |
| 337 | G | A | -1.9193 | |
| 338 | K | A | -2.6277 | |
| 339 | L | A | 0.0000 | |
| 340 | P | A | -1.2442 | |
| 341 | F | A | 0.0000 | |
| 342 | T | A | 0.0000 | |
| 343 | E | A | 0.0000 | |
| 344 | A | A | 0.0000 | |
| 345 | C | A | 0.0000 | |
| 346 | I | A | 0.0000 | |
| 347 | N | A | 0.0000 | |
| 348 | E | A | 0.0000 | |
| 349 | I | A | 0.0000 | |
| 350 | L | A | 0.0000 | |
| 351 | R | A | 0.0000 | |
| 352 | H | A | -0.8088 | |
| 353 | S | A | 0.0000 | |
| 354 | S | A | 0.0000 | |
| 355 | I | A | 0.0000 | |
| 356 | S | A | 0.1676 | |
| 357 | P | A | 0.0000 | |
| 358 | I | A | 0.2634 | |
| 359 | P | A | 0.0960 | |
| 360 | F | A | 0.3595 | |
| 361 | L | A | 0.0000 | |
| 362 | Y | A | 0.0000 | |
| 363 | A | A | 0.0000 | |
| 364 | S | A | 0.0000 | |
| 365 | T | A | -1.5292 | |
| 366 | T | A | -1.9384 | |
| 367 | D | A | -2.6063 | |
| 368 | T | A | -1.3847 | |
| 369 | T | A | -0.7278 | |
| 370 | I | A | 0.0000 | |
| 371 | N | A | -1.7766 | |
| 372 | G | A | -0.7133 | |
| 373 | Y | A | -0.0141 | |
| 374 | S | A | -0.3458 | |
| 375 | V | A | 0.0000 | |
| 376 | H | A | -1.9016 | |
| 377 | Q | A | -2.3488 | |
| 378 | G | A | -1.6332 | |
| 379 | T | A | -1.2472 | |
| 380 | P | A | 0.0000 | |
| 381 | V | A | 0.0000 | |
| 382 | I | A | 0.0000 | |
| 383 | I | A | 0.0000 | |
| 384 | N | A | 0.0000 | |
| 385 | L | A | 0.0000 | |
| 386 | Y | A | 0.0000 | |
| 387 | S | A | 0.0000 | |
| 388 | L | A | 0.0000 | |
| 389 | T | A | 0.0000 | |
| 390 | R | A | -1.9201 | |
| 391 | D | A | -2.1483 | |
| 392 | E | A | -3.6628 | |
| 393 | R | A | -3.0919 | |
| 394 | Y | A | -2.0242 | |
| 395 | W | A | 0.0000 | |
| 396 | Q | A | -3.3220 | |
| 397 | N | A | -3.6131 | |
| 398 | P | A | -3.2678 | |
| 399 | D | A | -3.5102 | |
| 400 | K | A | -3.2960 | |
| 401 | F | A | 0.0000 | |
| 402 | D | A | -1.8412 | |
| 403 | P | A | 0.0000 | |
| 404 | D | A | -2.1084 | |
| 405 | R | A | 0.0000 | |
| 406 | F | A | 0.0000 | |
| 407 | L | A | -2.0036 | |
| 408 | D | A | -2.8180 | |
| 409 | E | A | -3.2022 | |
| 410 | N | A | -2.7449 | |
| 411 | C | A | -2.1057 | |
| 412 | K | A | -2.6915 | |
| 413 | I | A | -1.6011 | |
| 414 | R | A | -2.1511 | |
| 415 | S | A | -1.7472 | |
| 416 | D | A | -2.1740 | |
| 417 | L | A | 0.0000 | |
| 418 | L | A | -1.2223 | |
| 419 | D | A | -2.1512 | |
| 420 | K | A | -1.5284 | |
| 421 | F | A | 0.0000 | |
| 422 | Y | A | -0.2971 | |
| 423 | P | A | -0.0824 | |
| 424 | F | A | -0.2577 | |
| 425 | G | A | -0.5865 | |
| 426 | I | A | 0.0000 | |
| 427 | G | A | -0.6843 | |
| 428 | Q | A | -1.2808 | |
| 429 | R | A | 0.0000 | |
| 430 | R | A | -1.5907 | |
| 431 | C | A | -0.5404 | |
| 432 | M | A | -0.5704 | |
| 433 | G | A | -0.6081 | |
| 434 | E | A | -0.9147 | |
| 435 | Y | A | -0.0050 | |
| 436 | L | A | 0.0000 | |
| 437 | A | A | 0.0000 | |
| 438 | R | A | -0.3157 | |
| 439 | L | A | 0.0000 | |
| 440 | E | A | 0.0000 | |
| 441 | I | A | 0.0000 | |
| 442 | F | A | 0.0000 | |
| 443 | I | A | 0.0000 | |
| 444 | F | A | 0.0000 | |
| 445 | F | A | 0.0000 | |
| 446 | T | A | 0.0000 | |
| 447 | T | A | 0.0000 | |
| 448 | L | A | 0.0000 | |
| 449 | M | A | 0.0000 | |
| 450 | H | A | 0.0000 | |
| 451 | K | A | -0.7448 | |
| 452 | C | A | 0.0000 | |
| 453 | K | A | -1.5808 | |
| 454 | L | A | 0.0000 | |
| 455 | E | A | -1.2942 | |
| 456 | K | A | -1.5468 | |
| 457 | V | A | 0.0000 | |
| 458 | P | A | -1.7543 | |
| 459 | R | A | -2.6022 | |
| 460 | E | A | -2.2732 | |
| 461 | K | A | -2.3957 | |
| 462 | L | A | -1.5909 | |
| 463 | S | A | -1.2137 | |
| 464 | L | A | -0.6852 | |
| 465 | E | A | -1.9149 | |
| 466 | P | A | -1.6411 | |
| 467 | K | A | -1.6677 | |
| 468 | P | A | -1.3839 | |
| 469 | G | A | 0.0000 | |
| 470 | F | A | 0.0000 | |
| 471 | F | A | 0.1535 | |
| 472 | M | A | 0.0000 | |
| 473 | R | A | 0.0000 | |
| 474 | P | A | 0.0000 | |
| 475 | Q | A | -1.8354 | |
| 476 | K | A | -2.1789 | |
| 477 | Y | A | 0.0000 | |
| 478 | N | A | -1.5136 | |
| 479 | I | A | 0.0000 | |
| 480 | I | A | -1.3322 | |
| 481 | A | A | 0.0000 | |
| 482 | K | A | -2.0924 | |
| 483 | S | A | -1.3086 | |
| 484 | R | A | -0.2510 | |
| 485 | F | A | 1.4756 |
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