| Chain sequence(s) |
A: LNFRAPPVIPNVPFLWAWNAPSEFCLGKFDEPLDMSLFSFIGSPRINATGQGVTIFYVDRLGYYPYIDSITGVTVNGGIPQKISLQDHLDKAKKDITFYMPVDNLGMAVIDWEEWRPTWARNWKPKDVYKNRSIELVQQQNVQLSLTEATEKAKQEFEKAGKDFLVETIKLGKLLRPNHLWGYYLFPDCYNHHYKKPGYNGSCFNVEIKRNDDLSWLWNESTALYPSIYLNTQQSPVAATLYVRNRVREAIRVSKIPDAKSPLPVFAYTRIVFTDQVLKFLSQDELVYTFGETVALGASGIVIWGTLSIMRSMKSCLLLDNYMETILNPYINVTLAAKMCSQVLCQEQGVCIRKNWNSSDYLHLNPDNFAIQLEKGGKFTVRGKPTLEDLEQFSEKFYCSCYSTLSCKEKADVKDTDAVDVCIADGVCIDAFLKPPMETEEPQIFYNASPSTLS
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 (00:05:42)
[INFO] Main: Simulation completed successfully. (00:05:45)
|
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 | |
| 36 | L | A | 1.0385 | |
| 37 | N | A | 0.0054 | |
| 38 | F | A | 0.1080 | |
| 39 | R | A | 0.0000 | |
| 40 | A | A | -0.1454 | |
| 41 | P | A | 0.0957 | |
| 42 | P | A | -0.0778 | |
| 43 | V | A | 0.4348 | |
| 44 | I | A | 0.2604 | |
| 45 | P | A | -0.5069 | |
| 46 | N | A | -1.1941 | |
| 47 | V | A | 0.0221 | |
| 48 | P | A | -0.3211 | |
| 49 | F | A | 0.0000 | |
| 50 | L | A | 0.0000 | |
| 51 | W | A | 0.3704 | |
| 52 | A | A | 0.0000 | |
| 53 | W | A | 0.0000 | |
| 54 | N | A | 0.0000 | |
| 55 | A | A | 0.0000 | |
| 56 | P | A | 0.0000 | |
| 57 | S | A | 0.0000 | |
| 58 | E | A | -1.0110 | |
| 59 | F | A | 0.4969 | |
| 60 | C | A | 0.0000 | |
| 61 | L | A | -0.6632 | |
| 62 | G | A | 0.0000 | |
| 63 | K | A | -1.0299 | |
| 64 | F | A | 0.0108 | |
| 65 | D | A | -1.9038 | |
| 66 | E | A | -2.3199 | |
| 67 | P | A | -1.4271 | |
| 68 | L | A | 0.0000 | |
| 69 | D | A | -1.0558 | |
| 70 | M | A | -0.2888 | |
| 71 | S | A | -0.5845 | |
| 72 | L | A | -0.1899 | |
| 73 | F | A | 0.2562 | |
| 74 | S | A | 0.3916 | |
| 75 | F | A | 0.0000 | |
| 76 | I | A | 0.6172 | |
| 77 | G | A | 0.0000 | |
| 78 | S | A | 0.0000 | |
| 79 | P | A | 0.0000 | |
| 80 | R | A | -0.3974 | |
| 81 | I | A | 0.6825 | |
| 82 | N | A | -0.4906 | |
| 83 | A | A | -0.3739 | |
| 84 | T | A | -0.0875 | |
| 85 | G | A | -0.3589 | |
| 86 | Q | A | -0.1969 | |
| 87 | G | A | -0.0687 | |
| 88 | V | A | 0.0000 | |
| 89 | T | A | 0.0000 | |
| 90 | I | A | 0.0000 | |
| 91 | F | A | 0.0000 | |
| 92 | Y | A | -0.0158 | |
| 93 | V | A | -0.4895 | |
| 94 | D | A | -1.1662 | |
| 95 | R | A | 0.0000 | |
| 96 | L | A | 0.0000 | |
| 97 | G | A | -1.3610 | |
| 98 | Y | A | -0.4675 | |
| 99 | Y | A | 0.0000 | |
| 100 | P | A | 0.0000 | |
| 101 | Y | A | 0.1216 | |
| 102 | I | A | 0.0000 | |
| 103 | D | A | 0.5610 | |
| 104 | S | A | 0.6253 | |
| 105 | I | A | 1.8970 | |
| 106 | T | A | 1.0612 | |
| 107 | G | A | 0.8265 | |
| 108 | V | A | 1.6982 | |
| 109 | T | A | 0.6265 | |
| 110 | V | A | 0.4546 | |
| 111 | N | A | -0.1564 | |
| 112 | G | A | -0.4831 | |
| 113 | G | A | 0.0000 | |
| 114 | I | A | 0.0000 | |
| 115 | P | A | 0.0000 | |
| 116 | Q | A | -1.4881 | |
| 117 | K | A | -1.6851 | |
| 118 | I | A | -0.9334 | |
| 119 | S | A | -1.1535 | |
| 120 | L | A | -1.1954 | |
| 121 | Q | A | -2.2163 | |
| 122 | D | A | -2.6724 | |
| 123 | H | A | 0.0000 | |
| 124 | L | A | -1.9566 | |
| 125 | D | A | -2.6939 | |
| 126 | K | A | -2.3946 | |
| 127 | A | A | 0.0000 | |
| 128 | K | A | -2.0411 | |
| 129 | K | A | -2.2317 | |
| 130 | D | A | 0.0000 | |
| 131 | I | A | 0.0000 | |
| 132 | T | A | -0.2427 | |
| 133 | F | A | 0.5879 | |
| 134 | Y | A | 0.0000 | |
| 135 | M | A | 0.0000 | |
| 136 | P | A | 0.4797 | |
| 137 | V | A | 0.9140 | |
| 138 | D | A | -0.8142 | |
| 139 | N | A | -1.3136 | |
| 140 | L | A | -0.3326 | |
| 141 | G | A | 0.0000 | |
| 142 | M | A | 0.0000 | |
| 143 | A | A | 0.0000 | |
| 144 | V | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | D | A | -0.2183 | |
| 147 | W | A | 0.0000 | |
| 148 | E | A | -0.9091 | |
| 149 | E | A | -0.8281 | |
| 150 | W | A | 0.0000 | |
| 151 | R | A | 0.0000 | |
| 152 | P | A | 0.0000 | |
| 153 | T | A | -0.9049 | |
| 154 | W | A | 0.0000 | |
| 155 | A | A | -0.0642 | |
| 156 | R | A | 0.0000 | |
| 157 | N | A | 0.0000 | |
| 158 | W | A | -0.3767 | |
| 159 | K | A | -1.6604 | |
| 160 | P | A | -1.2526 | |
| 161 | K | A | -1.0780 | |
| 162 | D | A | -1.2074 | |
| 163 | V | A | -0.8739 | |
| 164 | Y | A | 0.0000 | |
| 165 | K | A | -1.3952 | |
| 166 | N | A | -2.0389 | |
| 167 | R | A | -2.2712 | |
| 168 | S | A | 0.0000 | |
| 169 | I | A | -2.1389 | |
| 170 | E | A | -2.6421 | |
| 171 | L | A | -2.2366 | |
| 172 | V | A | 0.0000 | |
| 173 | Q | A | -1.6796 | |
| 174 | Q | A | -2.1001 | |
| 175 | Q | A | -2.0824 | |
| 176 | N | A | -1.3821 | |
| 177 | V | A | 0.1523 | |
| 178 | Q | A | -0.7948 | |
| 179 | L | A | -0.5641 | |
| 180 | S | A | 0.0342 | |
| 181 | L | A | 0.4824 | |
| 182 | T | A | -0.7311 | |
| 183 | E | A | -2.3138 | |
| 184 | A | A | 0.0000 | |
| 185 | T | A | -2.1467 | |
| 186 | E | A | -3.2794 | |
| 187 | K | A | -2.9744 | |
| 188 | A | A | 0.0000 | |
| 189 | K | A | -2.9922 | |
| 190 | Q | A | -3.3803 | |
| 191 | E | A | -3.1326 | |
| 192 | F | A | 0.0000 | |
| 193 | E | A | -2.4225 | |
| 194 | K | A | -2.9084 | |
| 195 | A | A | -1.9415 | |
| 196 | G | A | 0.0000 | |
| 197 | K | A | -1.6549 | |
| 198 | D | A | -1.3085 | |
| 199 | F | A | 0.0000 | |
| 200 | L | A | 0.0000 | |
| 201 | V | A | -0.9848 | |
| 202 | E | A | -1.4606 | |
| 203 | T | A | 0.0000 | |
| 204 | I | A | 0.0000 | |
| 205 | K | A | -0.9871 | |
| 206 | L | A | -0.3713 | |
| 207 | G | A | 0.0000 | |
| 208 | K | A | -0.3640 | |
| 209 | L | A | 0.8955 | |
| 210 | L | A | 0.3610 | |
| 211 | R | A | -0.4251 | |
| 212 | P | A | -0.8878 | |
| 213 | N | A | -1.3906 | |
| 214 | H | A | 0.0000 | |
| 215 | L | A | -0.0965 | |
| 216 | W | A | 0.0000 | |
| 217 | G | A | 0.0000 | |
| 218 | Y | A | 0.0000 | |
| 219 | Y | A | 0.0166 | |
| 220 | L | A | 0.0613 | |
| 221 | F | A | 0.0000 | |
| 222 | P | A | 0.0000 | |
| 223 | D | A | 0.0000 | |
| 224 | C | A | 0.0000 | |
| 225 | Y | A | 0.1451 | |
| 226 | N | A | 0.0000 | |
| 227 | H | A | -1.3982 | |
| 228 | H | A | -2.2452 | |
| 229 | Y | A | -2.0109 | |
| 230 | K | A | -3.0860 | |
| 231 | K | A | -3.1158 | |
| 232 | P | A | -1.8807 | |
| 233 | G | A | -1.4645 | |
| 234 | Y | A | -1.5248 | |
| 235 | N | A | -1.3215 | |
| 236 | G | A | 0.0000 | |
| 237 | S | A | -0.3141 | |
| 238 | C | A | 0.1581 | |
| 239 | F | A | 0.9251 | |
| 240 | N | A | -0.4824 | |
| 241 | V | A | 0.2341 | |
| 242 | E | A | 0.0000 | |
| 243 | I | A | -0.6814 | |
| 244 | K | A | -2.0745 | |
| 245 | R | A | -1.6012 | |
| 246 | N | A | 0.0000 | |
| 247 | D | A | -1.7657 | |
| 248 | D | A | -2.4856 | |
| 249 | L | A | 0.0000 | |
| 250 | S | A | -0.9476 | |
| 251 | W | A | -0.7235 | |
| 252 | L | A | 0.0000 | |
| 253 | W | A | 0.0000 | |
| 254 | N | A | -1.4509 | |
| 255 | E | A | -1.2198 | |
| 256 | S | A | 0.0000 | |
| 257 | T | A | -0.4250 | |
| 258 | A | A | 0.0000 | |
| 259 | L | A | 0.0000 | |
| 260 | Y | A | 0.0000 | |
| 261 | P | A | 0.0000 | |
| 262 | S | A | 0.0000 | |
| 263 | I | A | 0.0000 | |
| 264 | Y | A | 0.1279 | |
| 265 | L | A | 0.0000 | |
| 266 | N | A | -0.9297 | |
| 267 | T | A | -1.2340 | |
| 268 | Q | A | -1.5353 | |
| 269 | Q | A | -0.8959 | |
| 270 | S | A | -0.2283 | |
| 271 | P | A | 0.1076 | |
| 272 | V | A | 1.5183 | |
| 273 | A | A | 0.0000 | |
| 274 | A | A | 0.0000 | |
| 275 | T | A | 0.0000 | |
| 276 | L | A | 0.1154 | |
| 277 | Y | A | 0.0000 | |
| 278 | V | A | 0.0000 | |
| 279 | R | A | 0.0000 | |
| 280 | N | A | 0.0000 | |
| 281 | R | A | 0.0000 | |
| 282 | V | A | 0.0000 | |
| 283 | R | A | -0.9610 | |
| 284 | E | A | 0.0000 | |
| 285 | A | A | 0.0000 | |
| 286 | I | A | 0.0000 | |
| 287 | R | A | -0.8743 | |
| 288 | V | A | 0.0000 | |
| 289 | S | A | 0.0000 | |
| 290 | K | A | -0.9342 | |
| 291 | I | A | -0.5739 | |
| 292 | P | A | -1.1560 | |
| 293 | D | A | -1.8636 | |
| 294 | A | A | -1.0651 | |
| 295 | K | A | -1.5417 | |
| 296 | S | A | -1.2140 | |
| 297 | P | A | 0.0000 | |
| 298 | L | A | -0.4434 | |
| 299 | P | A | 0.0436 | |
| 300 | V | A | 0.0000 | |
| 301 | F | A | 0.0000 | |
| 302 | A | A | 0.0000 | |
| 303 | Y | A | 0.0000 | |
| 304 | T | A | 0.0000 | |
| 305 | R | A | 0.0000 | |
| 306 | I | A | 0.0000 | |
| 307 | V | A | 0.0000 | |
| 308 | F | A | 0.0000 | |
| 309 | T | A | -0.5958 | |
| 310 | D | A | -1.3573 | |
| 311 | Q | A | -1.0723 | |
| 312 | V | A | 0.2481 | |
| 313 | L | A | 0.9435 | |
| 314 | K | A | -0.8308 | |
| 315 | F | A | 0.0144 | |
| 316 | L | A | 0.0000 | |
| 317 | S | A | -1.2312 | |
| 318 | Q | A | -1.6852 | |
| 319 | D | A | -2.3248 | |
| 320 | E | A | -1.4126 | |
| 321 | L | A | 0.0000 | |
| 322 | V | A | -0.7202 | |
| 323 | Y | A | -0.1677 | |
| 324 | T | A | 0.0000 | |
| 325 | F | A | 0.0000 | |
| 326 | G | A | 0.0000 | |
| 327 | E | A | 0.0000 | |
| 328 | T | A | 0.0000 | |
| 329 | V | A | 0.0000 | |
| 330 | A | A | 0.0000 | |
| 331 | L | A | 0.0000 | |
| 332 | G | A | 0.0000 | |
| 333 | A | A | 0.0000 | |
| 334 | S | A | 0.1063 | |
| 335 | G | A | 0.0000 | |
| 336 | I | A | 0.0000 | |
| 337 | V | A | 0.0000 | |
| 338 | I | A | 0.0000 | |
| 339 | W | A | 0.1949 | |
| 340 | G | A | 0.0000 | |
| 341 | T | A | 0.1446 | |
| 342 | L | A | 0.1013 | |
| 343 | S | A | 0.1282 | |
| 344 | I | A | 0.0000 | |
| 345 | M | A | 0.0000 | |
| 346 | R | A | -1.6502 | |
| 347 | S | A | -0.9204 | |
| 348 | M | A | 0.0075 | |
| 349 | K | A | -1.2394 | |
| 350 | S | A | -0.2970 | |
| 351 | C | A | 0.0000 | |
| 352 | L | A | 0.1712 | |
| 353 | L | A | 0.8964 | |
| 354 | L | A | 0.0000 | |
| 355 | D | A | -0.7540 | |
| 356 | N | A | -0.5557 | |
| 357 | Y | A | 0.0000 | |
| 358 | M | A | 0.0000 | |
| 359 | E | A | -0.9517 | |
| 360 | T | A | -0.4569 | |
| 361 | I | A | -0.1423 | |
| 362 | L | A | 0.0000 | |
| 363 | N | A | 0.0000 | |
| 364 | P | A | -0.2005 | |
| 365 | Y | A | 0.0000 | |
| 367 | I | A | 0.0000 | |
| 368 | N | A | -0.3258 | |
| 369 | V | A | 0.0000 | |
| 370 | T | A | 0.0000 | |
| 371 | L | A | 0.0000 | |
| 372 | A | A | 0.0000 | |
| 373 | A | A | 0.0000 | |
| 374 | K | A | 0.0000 | |
| 375 | M | A | 0.0000 | |
| 376 | C | A | 0.0000 | |
| 377 | S | A | 0.0000 | |
| 378 | Q | A | -1.6562 | |
| 379 | V | A | 0.0000 | |
| 380 | L | A | 0.0000 | |
| 381 | C | A | 0.0000 | |
| 382 | Q | A | -2.5395 | |
| 383 | E | A | -2.3417 | |
| 384 | Q | A | -1.7106 | |
| 385 | G | A | 0.0000 | |
| 386 | V | A | -0.2328 | |
| 387 | C | A | 0.0000 | |
| 388 | I | A | 0.0000 | |
| 389 | R | A | 0.0000 | |
| 390 | K | A | -2.2635 | |
| 391 | N | A | -2.2082 | |
| 392 | W | A | -1.3155 | |
| 393 | N | A | -1.7181 | |
| 394 | S | A | -1.3528 | |
| 395 | S | A | -0.7434 | |
| 396 | D | A | -1.2023 | |
| 397 | Y | A | -0.0897 | |
| 398 | L | A | 0.0000 | |
| 399 | H | A | -0.3834 | |
| 400 | L | A | 0.0000 | |
| 401 | N | A | -1.4602 | |
| 402 | P | A | -1.4455 | |
| 403 | D | A | -2.2372 | |
| 404 | N | A | -2.2551 | |
| 405 | F | A | 0.0000 | |
| 406 | A | A | -1.4481 | |
| 407 | I | A | -0.7741 | |
| 408 | Q | A | -1.7997 | |
| 409 | L | A | -1.6059 | |
| 410 | E | A | -3.0482 | |
| 411 | K | A | -3.0702 | |
| 412 | G | A | -2.2231 | |
| 413 | G | A | -2.2720 | |
| 414 | K | A | -2.9203 | |
| 415 | F | A | 0.0000 | |
| 416 | T | A | -1.4612 | |
| 417 | V | A | 0.0000 | |
| 418 | R | A | -2.7070 | |
| 419 | G | A | -2.7452 | |
| 420 | K | A | -2.4205 | |
| 421 | P | A | 0.0000 | |
| 422 | T | A | -1.2121 | |
| 423 | L | A | -1.4246 | |
| 424 | E | A | -2.4211 | |
| 425 | D | A | 0.0000 | |
| 426 | L | A | 0.0000 | |
| 427 | E | A | -3.1230 | |
| 428 | Q | A | -2.4953 | |
| 429 | F | A | 0.0000 | |
| 430 | S | A | -2.4344 | |
| 431 | E | A | -2.8205 | |
| 432 | K | A | -2.3395 | |
| 433 | F | A | 0.0000 | |
| 434 | Y | A | -0.8833 | |
| 435 | C | A | -1.0394 | |
| 436 | S | A | 0.0000 | |
| 437 | C | A | -0.4530 | |
| 438 | Y | A | 0.0000 | |
| 439 | S | A | 0.0000 | |
| 440 | T | A | -0.0498 | |
| 441 | L | A | 0.1386 | |
| 442 | S | A | -0.4694 | |
| 443 | C | A | -1.5970 | |
| 444 | K | A | -2.6690 | |
| 445 | E | A | -2.8450 | |
| 446 | K | A | -2.5556 | |
| 447 | A | A | -1.9175 | |
| 448 | D | A | -2.8501 | |
| 449 | V | A | 0.0000 | |
| 450 | K | A | -3.1910 | |
| 451 | D | A | -3.3535 | |
| 452 | T | A | 0.0000 | |
| 453 | D | A | -2.1729 | |
| 454 | A | A | -1.1475 | |
| 455 | V | A | 0.0000 | |
| 456 | D | A | -2.1592 | |
| 457 | V | A | 0.0000 | |
| 458 | C | A | -0.6192 | |
| 459 | I | A | -0.1414 | |
| 460 | A | A | -0.7291 | |
| 461 | D | A | -1.9584 | |
| 462 | G | A | -1.2057 | |
| 463 | V | A | 0.0000 | |
| 464 | C | A | -1.0086 | |
| 465 | I | A | 0.0000 | |
| 466 | D | A | -2.5826 | |
| 467 | A | A | -1.1738 | |
| 468 | F | A | 0.3664 | |
| 469 | L | A | -0.6117 | |
| 470 | K | A | -1.0756 | |
| 471 | P | A | -0.5955 | |
| 472 | P | A | -0.4736 | |
| 473 | M | A | -0.4748 | |
| 474 | E | A | -2.2829 | |
| 475 | T | A | -2.1342 | |
| 476 | E | A | -3.3938 | |
| 477 | E | A | -3.1768 | |
| 478 | P | A | -1.4054 | |
| 479 | Q | A | -0.3862 | |
| 480 | I | A | 2.2333 | |
| 481 | F | A | 2.7830 | |
| 482 | Y | A | 2.0347 | |
| 483 | N | A | 0.1939 | |
| 484 | A | A | -0.0829 | |
| 485 | S | A | -0.5319 | |
| 486 | P | A | -0.4428 | |
| 487 | S | A | -0.0514 | |
| 488 | T | A | 0.4285 | |
| 489 | L | A | 1.3249 | |
| 490 | S | A | 0.4940 |
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