| Chain sequence(s) |
A: MEFYLEPARNIPVLATTEVLVVGGGPSGIAAAMSAAREGAATMLIERFGCFGGMMTTAGVESIAWWRHENTVESGGLAREIEETAKSMGASSPEPQSNSQAINAERFKLVADAMLEQAGVRRVLHITAVDVIKQGNNLLGVITESKSGRQAILANVIIDCTGDADIAWFAGAPFIKREREELMCMTTVFSCANINKNAFMQNINSTEPKYGDWGADEENKNWSYDVHESCRDMFSPYLGKVFAKGKSAGIIPKDVTLGGSWSTVTEYGDANYLNVVSIPAVDCTDVFDLTRAEIEGRKQAMQAIEALRQFQPGFEQAQLKNFGMTVGTRESRHIIGRVQLTENDICNEGRHADSIGVFPEFIDGNGHLKLPLEANYFQIPYGVMIPQQVENLLVCGRAIDADNFAYATIRNMGCCIVTGEGAGTAAAIAIKNNTTVSQVDIQTVQERLQQNGVKVF
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | No |
| alphaCutter usage | No |
| 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 minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:13:15)
[INFO] Main: Simulation completed successfully. (00:13:20)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | M | A | 0.6462 | |
| 2 | E | A | -0.0879 | |
| 3 | F | A | 2.1324 | |
| 4 | Y | A | 2.1210 | |
| 5 | L | A | 1.7230 | |
| 6 | E | A | -0.8682 | |
| 7 | P | A | -1.0216 | |
| 8 | A | A | -1.4051 | |
| 9 | R | A | -2.6330 | |
| 10 | N | A | -1.8757 | |
| 11 | I | A | -0.4119 | |
| 12 | P | A | 0.4106 | |
| 13 | V | A | 1.9900 | |
| 14 | L | A | 1.6791 | |
| 15 | A | A | 1.0244 | |
| 16 | T | A | 0.3680 | |
| 17 | T | A | -0.7202 | |
| 18 | E | A | -1.0732 | |
| 19 | V | A | 0.0000 | |
| 20 | L | A | 0.0000 | |
| 21 | V | A | 0.0000 | |
| 22 | V | A | 0.0000 | |
| 23 | G | A | -0.4321 | |
| 24 | G | A | 0.0000 | |
| 25 | G | A | -0.0842 | |
| 26 | P | A | -0.0480 | |
| 27 | S | A | 0.0000 | |
| 28 | G | A | 0.0000 | |
| 29 | I | A | 0.0000 | |
| 30 | A | A | 0.0000 | |
| 31 | A | A | 0.0000 | |
| 32 | A | A | 0.0000 | |
| 33 | M | A | 0.0000 | |
| 34 | S | A | 0.0000 | |
| 35 | A | A | 0.0000 | |
| 36 | A | A | -1.1791 | |
| 37 | R | A | -1.3381 | |
| 38 | E | A | -1.1432 | |
| 39 | G | A | -1.1697 | |
| 40 | A | A | 0.0000 | |
| 41 | A | A | -0.7881 | |
| 42 | T | A | 0.0000 | |
| 43 | M | A | 0.0000 | |
| 44 | L | A | 0.0000 | |
| 45 | I | A | 0.0000 | |
| 46 | E | A | 0.0000 | |
| 47 | R | A | -1.9754 | |
| 48 | F | A | -0.5286 | |
| 49 | G | A | -0.6057 | |
| 50 | C | A | 0.0000 | |
| 51 | F | A | 0.0000 | |
| 52 | G | A | 0.0000 | |
| 53 | G | A | -0.1426 | |
| 54 | M | A | 0.2846 | |
| 55 | M | A | 0.0000 | |
| 56 | T | A | 0.0000 | |
| 57 | T | A | 0.0000 | |
| 58 | A | A | 0.0000 | |
| 59 | G | A | -0.2046 | |
| 60 | V | A | 0.1631 | |
| 61 | E | A | 0.0000 | |
| 62 | S | A | 0.0284 | |
| 63 | I | A | 0.0000 | |
| 64 | A | A | 0.0000 | |
| 65 | W | A | -0.1809 | |
| 66 | W | A | 0.0000 | |
| 67 | R | A | 0.0000 | |
| 68 | H | A | -1.8028 | |
| 69 | E | A | -2.7172 | |
| 70 | N | A | -2.2729 | |
| 71 | T | A | -1.4752 | |
| 72 | V | A | -0.6794 | |
| 73 | E | A | -0.4717 | |
| 74 | S | A | 0.0000 | |
| 75 | G | A | -1.0326 | |
| 76 | G | A | -1.3061 | |
| 77 | L | A | 0.0000 | |
| 78 | A | A | 0.0000 | |
| 79 | R | A | -1.6657 | |
| 80 | E | A | -1.7725 | |
| 81 | I | A | 0.0000 | |
| 82 | E | A | 0.0000 | |
| 83 | E | A | -2.8219 | |
| 84 | T | A | -1.6618 | |
| 85 | A | A | 0.0000 | |
| 86 | K | A | -2.4367 | |
| 87 | S | A | -1.3430 | |
| 88 | M | A | -0.6661 | |
| 89 | G | A | -1.2509 | |
| 90 | A | A | 0.0000 | |
| 91 | S | A | -1.4174 | |
| 92 | S | A | -0.7347 | |
| 93 | P | A | -0.8881 | |
| 94 | E | A | 0.0000 | |
| 95 | P | A | -0.4004 | |
| 96 | Q | A | -0.3519 | |
| 97 | S | A | -0.9651 | |
| 98 | N | A | -1.7859 | |
| 99 | S | A | 0.0000 | |
| 100 | Q | A | -1.1672 | |
| 101 | A | A | 0.0000 | |
| 102 | I | A | 0.0000 | |
| 103 | N | A | -1.7591 | |
| 104 | A | A | -1.4686 | |
| 105 | E | A | -2.6476 | |
| 106 | R | A | -2.4501 | |
| 107 | F | A | 0.0000 | |
| 108 | K | A | -1.1004 | |
| 109 | L | A | 0.1921 | |
| 110 | V | A | 0.0000 | |
| 111 | A | A | 0.0000 | |
| 112 | D | A | -1.2428 | |
| 113 | A | A | -1.0876 | |
| 114 | M | A | 0.0000 | |
| 115 | L | A | 0.0000 | |
| 116 | E | A | -3.2280 | |
| 117 | Q | A | -2.4628 | |
| 118 | A | A | -1.9359 | |
| 119 | G | A | -2.1939 | |
| 120 | V | A | 0.0000 | |
| 121 | R | A | -2.4238 | |
| 122 | R | A | -1.5955 | |
| 123 | V | A | -0.4409 | |
| 124 | L | A | -0.3381 | |
| 125 | H | A | -1.7323 | |
| 126 | I | A | 0.0000 | |
| 127 | T | A | -1.1701 | |
| 128 | A | A | 0.0000 | |
| 129 | V | A | -0.3477 | |
| 130 | D | A | -0.6047 | |
| 131 | V | A | -0.0102 | |
| 132 | I | A | -0.2983 | |
| 133 | K | A | -2.1474 | |
| 134 | Q | A | -2.4214 | |
| 135 | G | A | -2.3236 | |
| 136 | N | A | -2.9251 | |
| 137 | N | A | -2.3929 | |
| 138 | L | A | 0.0000 | |
| 139 | L | A | -0.4242 | |
| 140 | G | A | 0.0000 | |
| 141 | V | A | 0.0000 | |
| 142 | I | A | 0.0000 | |
| 143 | T | A | 0.0000 | |
| 144 | E | A | -2.2159 | |
| 145 | S | A | -2.1915 | |
| 146 | K | A | -2.3998 | |
| 147 | S | A | -1.5514 | |
| 148 | G | A | -1.6027 | |
| 149 | R | A | -1.3784 | |
| 150 | Q | A | -0.1441 | |
| 151 | A | A | 0.0000 | |
| 152 | I | A | 0.0000 | |
| 153 | L | A | 0.8433 | |
| 154 | A | A | 0.0000 | |
| 155 | N | A | -1.3168 | |
| 156 | V | A | 0.0000 | |
| 157 | I | A | 0.0000 | |
| 158 | I | A | 0.0000 | |
| 159 | D | A | 0.0000 | |
| 160 | C | A | 0.0000 | |
| 161 | T | A | -0.5509 | |
| 162 | G | A | -0.4480 | |
| 163 | D | A | -0.5443 | |
| 164 | A | A | 0.0000 | |
| 165 | D | A | -0.2487 | |
| 166 | I | A | 0.0000 | |
| 167 | A | A | 0.0000 | |
| 168 | W | A | 0.6778 | |
| 169 | F | A | 0.3151 | |
| 170 | A | A | 0.0000 | |
| 171 | G | A | -0.4135 | |
| 172 | A | A | 0.0000 | |
| 173 | P | A | 0.3761 | |
| 174 | F | A | 1.2518 | |
| 175 | I | A | 0.7532 | |
| 176 | K | A | -0.9709 | |
| 177 | R | A | -2.4340 | |
| 178 | E | A | -3.5402 | |
| 179 | R | A | -3.3218 | |
| 180 | E | A | -3.6906 | |
| 181 | E | A | -3.7851 | |
| 182 | L | A | 0.0000 | |
| 183 | M | A | 0.0000 | |
| 184 | C | A | -0.6747 | |
| 185 | M | A | 0.0000 | |
| 186 | T | A | 0.0000 | |
| 187 | T | A | 0.0000 | |
| 188 | V | A | 0.0000 | |
| 189 | F | A | 0.0000 | |
| 190 | S | A | 0.0000 | |
| 191 | C | A | 0.0000 | |
| 192 | A | A | -1.4790 | |
| 193 | N | A | -2.3814 | |
| 194 | I | A | 0.0000 | |
| 195 | N | A | -2.7740 | |
| 196 | K | A | -2.7160 | |
| 197 | N | A | -2.6328 | |
| 198 | A | A | -1.8268 | |
| 199 | F | A | 0.0000 | |
| 200 | M | A | -1.7371 | |
| 201 | Q | A | -2.2649 | |
| 202 | N | A | -1.8583 | |
| 203 | I | A | 0.0000 | |
| 204 | N | A | -2.3637 | |
| 205 | S | A | -1.7710 | |
| 206 | T | A | -1.7288 | |
| 207 | E | A | -2.5323 | |
| 208 | P | A | -1.8782 | |
| 209 | K | A | -1.8399 | |
| 210 | Y | A | 0.0000 | |
| 211 | G | A | -2.0880 | |
| 212 | D | A | -1.7237 | |
| 213 | W | A | -0.9494 | |
| 214 | G | A | -1.5666 | |
| 215 | A | A | -1.7238 | |
| 216 | D | A | -2.6091 | |
| 217 | E | A | -3.4636 | |
| 218 | E | A | -3.5330 | |
| 219 | N | A | 0.0000 | |
| 220 | K | A | -3.3236 | |
| 221 | N | A | -2.9195 | |
| 222 | W | A | -1.3440 | |
| 223 | S | A | -1.4467 | |
| 224 | Y | A | -1.1790 | |
| 225 | D | A | -2.4446 | |
| 226 | V | A | 0.0000 | |
| 227 | H | A | -2.2627 | |
| 228 | E | A | -2.9488 | |
| 229 | S | A | -1.9030 | |
| 230 | C | A | 0.0000 | |
| 231 | R | A | -2.8934 | |
| 232 | D | A | -2.8602 | |
| 233 | M | A | -1.1020 | |
| 234 | F | A | -0.8136 | |
| 235 | S | A | 0.0000 | |
| 236 | P | A | 0.0000 | |
| 237 | Y | A | 0.0000 | |
| 238 | L | A | 0.0000 | |
| 239 | G | A | 0.0000 | |
| 240 | K | A | -2.3729 | |
| 241 | V | A | 0.0000 | |
| 242 | F | A | 0.0000 | |
| 243 | A | A | 0.0000 | |
| 244 | K | A | -1.5037 | |
| 245 | G | A | 0.0000 | |
| 246 | K | A | 0.0000 | |
| 247 | S | A | -1.0213 | |
| 248 | A | A | -0.5254 | |
| 249 | G | A | -0.8387 | |
| 250 | I | A | -0.5915 | |
| 251 | I | A | 0.0000 | |
| 252 | P | A | -1.6196 | |
| 253 | K | A | -3.0017 | |
| 254 | D | A | -2.8538 | |
| 255 | V | A | 0.0000 | |
| 256 | T | A | -1.4884 | |
| 257 | L | A | 0.0000 | |
| 258 | G | A | -0.3818 | |
| 259 | G | A | -0.1521 | |
| 260 | S | A | -0.0934 | |
| 261 | W | A | 0.0000 | |
| 262 | S | A | 0.0000 | |
| 263 | T | A | -0.4192 | |
| 264 | V | A | -0.6509 | |
| 265 | T | A | -0.8124 | |
| 266 | E | A | -1.7197 | |
| 267 | Y | A | -0.1224 | |
| 268 | G | A | 0.0000 | |
| 269 | D | A | -1.0218 | |
| 270 | A | A | 0.0000 | |
| 271 | N | A | -0.5070 | |
| 272 | Y | A | -0.1165 | |
| 273 | L | A | 0.0000 | |
| 274 | N | A | -0.1806 | |
| 275 | V | A | 0.0000 | |
| 276 | V | A | 0.0000 | |
| 277 | S | A | -0.1668 | |
| 278 | I | A | 0.0000 | |
| 279 | P | A | -0.9270 | |
| 280 | A | A | -1.7523 | |
| 281 | V | A | 0.0000 | |
| 282 | D | A | 0.0000 | |
| 283 | C | A | 0.0000 | |
| 284 | T | A | 0.1796 | |
| 285 | D | A | 0.6979 | |
| 286 | V | A | 2.3996 | |
| 287 | F | A | 2.5176 | |
| 288 | D | A | 0.0000 | |
| 289 | L | A | 1.4523 | |
| 290 | T | A | 1.3578 | |
| 291 | R | A | 0.8903 | |
| 292 | A | A | 0.0000 | |
| 293 | E | A | 0.4512 | |
| 294 | I | A | 1.0348 | |
| 295 | E | A | -0.2880 | |
| 296 | G | A | 0.0000 | |
| 297 | R | A | -0.7253 | |
| 298 | K | A | -1.3833 | |
| 299 | Q | A | 0.0000 | |
| 300 | A | A | 0.0000 | |
| 301 | M | A | -0.5098 | |
| 302 | Q | A | -0.7862 | |
| 303 | A | A | 0.0000 | |
| 304 | I | A | 0.0000 | |
| 305 | E | A | -1.3973 | |
| 306 | A | A | 0.0000 | |
| 307 | L | A | 0.0000 | |
| 308 | R | A | -2.5074 | |
| 309 | Q | A | -2.0453 | |
| 310 | F | A | -1.0810 | |
| 311 | Q | A | 0.0000 | |
| 312 | P | A | -1.4638 | |
| 313 | G | A | 0.0000 | |
| 314 | F | A | 0.0000 | |
| 315 | E | A | -3.4356 | |
| 316 | Q | A | -3.1672 | |
| 317 | A | A | 0.0000 | |
| 318 | Q | A | -2.0655 | |
| 319 | L | A | -0.8940 | |
| 320 | K | A | -1.7537 | |
| 321 | N | A | -1.4234 | |
| 322 | F | A | -0.2552 | |
| 323 | G | A | 0.2485 | |
| 324 | M | A | 0.8856 | |
| 325 | T | A | 0.4960 | |
| 326 | V | A | 0.0000 | |
| 327 | G | A | 0.0000 | |
| 328 | T | A | -0.1298 | |
| 329 | R | A | -0.3724 | |
| 330 | E | A | 0.0000 | |
| 331 | S | A | 0.0000 | |
| 332 | R | A | 0.0000 | |
| 333 | H | A | 0.0000 | |
| 334 | I | A | 0.0000 | |
| 335 | I | A | 0.4015 | |
| 336 | G | A | 0.0000 | |
| 337 | R | A | -1.6509 | |
| 338 | V | A | -0.4522 | |
| 339 | Q | A | -0.7768 | |
| 340 | L | A | 0.0000 | |
| 341 | T | A | -1.5433 | |
| 342 | E | A | -2.2505 | |
| 343 | N | A | -2.3842 | |
| 344 | D | A | -2.0782 | |
| 345 | I | A | 0.0000 | |
| 346 | C | A | -1.3035 | |
| 347 | N | A | -2.3109 | |
| 348 | E | A | -1.8798 | |
| 349 | G | A | -1.8922 | |
| 350 | R | A | -1.5605 | |
| 351 | H | A | -0.7803 | |
| 352 | A | A | -0.3885 | |
| 353 | D | A | -0.7362 | |
| 354 | S | A | 0.0000 | |
| 355 | I | A | 0.0000 | |
| 356 | G | A | 0.0000 | |
| 357 | V | A | 0.0000 | |
| 358 | F | A | 0.0000 | |
| 359 | P | A | 0.0000 | |
| 360 | E | A | 0.0000 | |
| 361 | F | A | 0.0000 | |
| 362 | I | A | 0.0000 | |
| 363 | D | A | -0.4661 | |
| 364 | G | A | 0.0000 | |
| 365 | N | A | -1.5240 | |
| 366 | G | A | -1.0973 | |
| 367 | H | A | -1.3090 | |
| 368 | L | A | 0.0000 | |
| 369 | K | A | -1.1192 | |
| 370 | L | A | 0.0000 | |
| 371 | P | A | 0.0000 | |
| 372 | L | A | -1.3355 | |
| 373 | E | A | -2.2731 | |
| 374 | A | A | -1.3607 | |
| 375 | N | A | -1.1680 | |
| 376 | Y | A | -0.5663 | |
| 377 | F | A | 0.0000 | |
| 378 | Q | A | 0.0000 | |
| 379 | I | A | 0.0000 | |
| 380 | P | A | 0.0000 | |
| 381 | Y | A | 0.0000 | |
| 382 | G | A | 0.0000 | |
| 383 | V | A | 0.0000 | |
| 384 | M | A | 0.0000 | |
| 385 | I | A | 0.0000 | |
| 386 | P | A | 0.0000 | |
| 387 | Q | A | -1.5493 | |
| 388 | Q | A | -2.0519 | |
| 389 | V | A | 0.0000 | |
| 390 | E | A | -2.0349 | |
| 391 | N | A | -1.1150 | |
| 392 | L | A | 0.0000 | |
| 393 | L | A | 0.0000 | |
| 394 | V | A | 0.0000 | |
| 395 | C | A | 0.0000 | |
| 396 | G | A | 0.0000 | |
| 397 | R | A | -0.4713 | |
| 398 | A | A | 0.0000 | |
| 399 | I | A | 0.0000 | |
| 400 | D | A | 0.0000 | |
| 401 | A | A | 0.0000 | |
| 402 | D | A | -1.3253 | |
| 403 | N | A | -1.6180 | |
| 404 | F | A | -1.1062 | |
| 405 | A | A | 0.0000 | |
| 406 | Y | A | 0.0000 | |
| 407 | A | A | 0.0000 | |
| 408 | T | A | 0.0000 | |
| 409 | I | A | 0.0000 | |
| 410 | R | A | -0.4331 | |
| 411 | N | A | 0.0000 | |
| 412 | M | A | 0.0000 | |
| 413 | G | A | 0.0000 | |
| 414 | C | A | 0.0000 | |
| 415 | C | A | 0.0000 | |
| 416 | I | A | 0.0000 | |
| 417 | V | A | 0.0000 | |
| 418 | T | A | 0.0000 | |
| 419 | G | A | 0.0000 | |
| 420 | E | A | 0.0000 | |
| 421 | G | A | 0.0000 | |
| 422 | A | A | 0.0000 | |
| 423 | G | A | 0.0000 | |
| 424 | T | A | 0.0000 | |
| 425 | A | A | 0.0000 | |
| 426 | A | A | 0.0000 | |
| 427 | A | A | 0.0000 | |
| 428 | I | A | 0.0000 | |
| 429 | A | A | 0.0000 | |
| 430 | I | A | -1.8620 | |
| 431 | K | A | -2.6959 | |
| 432 | N | A | -2.8491 | |
| 433 | N | A | -2.3215 | |
| 434 | T | A | -1.8078 | |
| 435 | T | A | -1.3746 | |
| 436 | V | A | 0.0000 | |
| 437 | S | A | -1.2365 | |
| 438 | Q | A | -1.6171 | |
| 439 | V | A | -1.6995 | |
| 440 | D | A | -2.4244 | |
| 441 | I | A | -1.6884 | |
| 442 | Q | A | -2.2513 | |
| 443 | T | A | -1.9603 | |
| 444 | V | A | 0.0000 | |
| 445 | Q | A | 0.0000 | |
| 446 | E | A | -3.2370 | |
| 447 | R | A | -2.8979 | |
| 448 | L | A | 0.0000 | |
| 449 | Q | A | -2.8111 | |
| 450 | Q | A | -3.0169 | |
| 451 | N | A | -2.4720 | |
| 452 | G | A | -2.0386 | |
| 453 | V | A | 0.0000 | |
| 454 | K | A | -0.8911 | |
| 455 | V | A | 0.0000 | |
| 456 | F | A | 1.1771 |
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