| Chain sequence(s) |
A: MSGGVYGGDEVGALVFDIGSFSVRAGYAGEDCPKADFPTTVGLLAAEEGGGLELEGDKEKKGKIFHIDTNALHVPRDGAEVMSPLKNGMIEDWECFRAILDHTYSKHVKSEPNLHPVLMSEAPASFELLGSSNPPASASQSAGIIGWNTRAKREKLTELMFEQYNIPAFFLCKTAVLTAFANGRSTGLVLDSGATHTTAIPVHDGYVLQQGIVKSPLAGDFISMQCRELFQEMAIDIIPPYMIAAKEPVREGAPPNWKKKEKLPQVSKSWHNYMCNEVIQDFQASVLQVSDSPYDEQVAAQMPTVHYEMPNGYNTDYGAERLRIPEGLFDPSNVKGLSGNTMLGVGHVVTTSIGMCDIDIRPGLYGSVIVTGGNTLLQGFTDRLNRELSQKTPPSMRLKLIASNSTMERKFSPWIGGSILASLGTFQQMWISKQEYEEGGKQCVERKCP
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 (00:05:28)
[INFO] Main: Simulation completed successfully. (00:05:31)
|
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 | 0.7700 | |
| 2 | S | A | 0.2011 | |
| 3 | G | A | -0.0367 | |
| 4 | G | A | 0.4290 | |
| 5 | V | A | 1.3637 | |
| 6 | Y | A | 0.4893 | |
| 7 | G | A | -0.6753 | |
| 8 | G | A | -1.6185 | |
| 9 | D | A | -2.8201 | |
| 10 | E | A | -2.7614 | |
| 11 | V | A | -1.1468 | |
| 12 | G | A | -0.7373 | |
| 13 | A | A | 0.0000 | |
| 14 | L | A | 0.0000 | |
| 15 | V | A | 0.0000 | |
| 16 | F | A | 0.0000 | |
| 17 | D | A | 0.0000 | |
| 18 | I | A | 0.2148 | |
| 19 | G | A | 0.3592 | |
| 20 | S | A | 0.3884 | |
| 21 | F | A | 1.5881 | |
| 22 | S | A | 0.3120 | |
| 23 | V | A | 0.0000 | |
| 24 | R | A | -1.0468 | |
| 25 | A | A | 0.0000 | |
| 26 | G | A | 0.0000 | |
| 27 | Y | A | -0.3278 | |
| 28 | A | A | -0.3991 | |
| 29 | G | A | -0.9033 | |
| 30 | E | A | -1.4410 | |
| 31 | D | A | -1.9518 | |
| 32 | C | A | -1.1855 | |
| 33 | P | A | -1.3608 | |
| 34 | K | A | -1.9298 | |
| 35 | A | A | 0.0000 | |
| 36 | D | A | -2.1703 | |
| 37 | F | A | 0.0000 | |
| 38 | P | A | -0.0092 | |
| 39 | T | A | 0.0000 | |
| 40 | T | A | 0.3651 | |
| 41 | V | A | 0.0000 | |
| 42 | G | A | 0.0000 | |
| 43 | L | A | 0.0000 | |
| 44 | L | A | -0.7226 | |
| 45 | A | A | -1.3026 | |
| 46 | A | A | -2.1851 | |
| 47 | E | A | -3.3555 | |
| 48 | E | A | -3.3253 | |
| 49 | G | A | -2.0612 | |
| 50 | G | A | -1.4499 | |
| 51 | G | A | -0.6137 | |
| 52 | L | A | 0.4463 | |
| 53 | E | A | -1.0543 | |
| 54 | L | A | -0.2413 | |
| 55 | E | A | -2.2350 | |
| 56 | G | A | -2.7367 | |
| 57 | D | A | -3.8559 | |
| 58 | K | A | -4.5338 | |
| 59 | E | A | -4.5486 | |
| 60 | K | A | -4.3902 | |
| 61 | K | A | -4.1080 | |
| 62 | G | A | -2.4129 | |
| 63 | K | A | -1.9151 | |
| 64 | I | A | 0.3686 | |
| 65 | F | A | 0.2825 | |
| 66 | H | A | -0.0879 | |
| 67 | I | A | 0.0000 | |
| 68 | D | A | -1.2217 | |
| 69 | T | A | -1.0621 | |
| 70 | N | A | -1.3581 | |
| 71 | A | A | -0.6489 | |
| 72 | L | A | 0.0000 | |
| 73 | H | A | -0.5296 | |
| 74 | V | A | 0.1077 | |
| 75 | P | A | -0.4344 | |
| 76 | R | A | -1.4495 | |
| 77 | D | A | -2.5209 | |
| 78 | G | A | -2.2202 | |
| 79 | A | A | 0.0000 | |
| 80 | E | A | -1.5035 | |
| 81 | V | A | -0.5645 | |
| 82 | M | A | -0.0158 | |
| 83 | S | A | -0.2189 | |
| 84 | P | A | 0.0000 | |
| 85 | L | A | 0.0000 | |
| 86 | K | A | -2.2314 | |
| 87 | N | A | -2.0786 | |
| 88 | G | A | -1.1242 | |
| 89 | M | A | -1.2854 | |
| 90 | I | A | -1.4405 | |
| 91 | E | A | -2.6322 | |
| 92 | D | A | -1.9839 | |
| 93 | W | A | -1.5190 | |
| 94 | E | A | -1.8549 | |
| 95 | C | A | 0.0000 | |
| 96 | F | A | 0.0000 | |
| 97 | R | A | -1.6252 | |
| 98 | A | A | -0.9836 | |
| 99 | I | A | 0.0000 | |
| 100 | L | A | 0.0000 | |
| 101 | D | A | -2.2665 | |
| 102 | H | A | 0.0000 | |
| 103 | T | A | 0.0000 | |
| 104 | Y | A | 0.0000 | |
| 105 | S | A | -2.4870 | |
| 106 | K | A | -2.6922 | |
| 107 | H | A | -2.3316 | |
| 108 | V | A | 0.0000 | |
| 109 | K | A | -2.7313 | |
| 110 | S | A | -2.0182 | |
| 111 | E | A | -2.3637 | |
| 112 | P | A | -1.8426 | |
| 113 | N | A | -1.4870 | |
| 114 | L | A | -0.2254 | |
| 115 | H | A | -0.3493 | |
| 116 | P | A | 0.0000 | |
| 117 | V | A | 0.0000 | |
| 118 | L | A | 0.0000 | |
| 119 | M | A | 0.0000 | |
| 120 | S | A | -0.0465 | |
| 121 | E | A | 0.0000 | |
| 122 | A | A | -0.2204 | |
| 123 | P | A | 0.0000 | |
| 124 | A | A | 0.5164 | |
| 125 | S | A | 0.0000 | |
| 126 | F | A | 2.6269 | |
| 127 | E | A | 1.6610 | |
| 128 | L | A | 2.4601 | |
| 129 | L | A | 1.9686 | |
| 130 | G | A | 0.0313 | |
| 131 | S | A | -0.4118 | |
| 132 | S | A | -1.0707 | |
| 133 | N | A | -1.6788 | |
| 134 | P | A | -1.3264 | |
| 135 | P | A | -0.7400 | |
| 136 | A | A | -0.5677 | |
| 137 | S | A | -0.4955 | |
| 138 | A | A | -0.6166 | |
| 139 | S | A | -0.9223 | |
| 140 | Q | A | -1.4891 | |
| 141 | S | A | -0.6515 | |
| 142 | A | A | 0.8885 | |
| 143 | G | A | 1.3483 | |
| 144 | I | A | 3.1446 | |
| 145 | I | A | 2.9424 | |
| 146 | G | A | 0.0000 | |
| 147 | W | A | 0.2499 | |
| 148 | N | A | -0.5757 | |
| 149 | T | A | -0.8572 | |
| 150 | R | A | -2.7081 | |
| 151 | A | A | -1.8374 | |
| 152 | K | A | -1.8603 | |
| 153 | R | A | 0.0000 | |
| 154 | E | A | -2.5366 | |
| 155 | K | A | -2.2902 | |
| 156 | L | A | 0.0000 | |
| 157 | T | A | 0.0000 | |
| 158 | E | A | -2.4568 | |
| 159 | L | A | 0.0000 | |
| 160 | M | A | 0.0000 | |
| 161 | F | A | 0.0000 | |
| 162 | E | A | -3.1221 | |
| 163 | Q | A | -2.5671 | |
| 164 | Y | A | -2.1571 | |
| 165 | N | A | -2.3778 | |
| 166 | I | A | 0.0000 | |
| 167 | P | A | -0.6928 | |
| 168 | A | A | 0.0000 | |
| 169 | F | A | 0.0000 | |
| 170 | F | A | 0.0000 | |
| 171 | L | A | 0.0000 | |
| 172 | C | A | 0.0000 | |
| 173 | K | A | -0.0108 | |
| 174 | T | A | -0.1280 | |
| 175 | A | A | 0.0000 | |
| 176 | V | A | 0.0000 | |
| 177 | L | A | 0.0000 | |
| 178 | T | A | 0.0000 | |
| 179 | A | A | 0.0000 | |
| 180 | F | A | -0.1091 | |
| 181 | A | A | -0.1970 | |
| 182 | N | A | -0.8124 | |
| 183 | G | A | -1.0817 | |
| 184 | R | A | -2.0501 | |
| 185 | S | A | -1.5198 | |
| 186 | T | A | -1.1167 | |
| 187 | G | A | 0.0000 | |
| 188 | L | A | 0.0000 | |
| 189 | V | A | 0.0000 | |
| 190 | L | A | 0.0000 | |
| 191 | D | A | -1.0119 | |
| 192 | S | A | 0.0000 | |
| 193 | G | A | -0.5935 | |
| 194 | A | A | -0.4852 | |
| 195 | T | A | -0.9084 | |
| 196 | H | A | -0.9984 | |
| 197 | T | A | 0.0000 | |
| 198 | T | A | 0.0000 | |
| 199 | A | A | 0.0000 | |
| 200 | I | A | 0.0000 | |
| 201 | P | A | 0.0000 | |
| 202 | V | A | 0.0000 | |
| 203 | H | A | -0.8621 | |
| 204 | D | A | -1.8041 | |
| 205 | G | A | -0.5685 | |
| 206 | Y | A | 0.6186 | |
| 207 | V | A | 0.2239 | |
| 208 | L | A | -0.1773 | |
| 209 | Q | A | -0.4370 | |
| 210 | Q | A | -0.9054 | |
| 211 | G | A | 0.0000 | |
| 212 | I | A | 0.0000 | |
| 213 | V | A | 0.0000 | |
| 214 | K | A | -0.3890 | |
| 215 | S | A | 0.0000 | |
| 216 | P | A | -0.6519 | |
| 217 | L | A | 0.0000 | |
| 218 | A | A | 0.0000 | |
| 219 | G | A | -0.8968 | |
| 220 | D | A | -1.7156 | |
| 221 | F | A | 0.0000 | |
| 222 | I | A | 0.0000 | |
| 223 | S | A | -1.2886 | |
| 224 | M | A | -0.6915 | |
| 225 | Q | A | -1.1552 | |
| 226 | C | A | 0.0000 | |
| 227 | R | A | -1.7614 | |
| 228 | E | A | -2.3707 | |
| 229 | L | A | -1.5861 | |
| 230 | F | A | 0.0000 | |
| 231 | Q | A | -2.8052 | |
| 232 | E | A | -2.5523 | |
| 233 | M | A | -1.3463 | |
| 234 | A | A | -1.3483 | |
| 235 | I | A | 0.0000 | |
| 236 | D | A | -1.8403 | |
| 237 | I | A | -0.9638 | |
| 238 | I | A | -0.3405 | |
| 239 | P | A | 0.0000 | |
| 240 | P | A | -0.3865 | |
| 241 | Y | A | -0.1529 | |
| 242 | M | A | -0.9565 | |
| 243 | I | A | -1.4545 | |
| 244 | A | A | -1.8432 | |
| 245 | A | A | -2.1816 | |
| 246 | K | A | -3.3139 | |
| 247 | E | A | -3.3422 | |
| 248 | P | A | -2.2477 | |
| 249 | V | A | -2.2666 | |
| 250 | R | A | -2.9986 | |
| 251 | E | A | -3.4704 | |
| 252 | G | A | -2.0331 | |
| 253 | A | A | -1.6433 | |
| 254 | P | A | -1.1394 | |
| 255 | P | A | -2.1537 | |
| 256 | N | A | -2.5187 | |
| 257 | W | A | -2.6929 | |
| 258 | K | A | -3.3362 | |
| 259 | K | A | -3.4312 | |
| 260 | K | A | -3.2072 | |
| 261 | E | A | -3.1938 | |
| 262 | K | A | -2.8495 | |
| 263 | L | A | -1.9700 | |
| 264 | P | A | -1.6831 | |
| 265 | Q | A | -2.2539 | |
| 266 | V | A | -1.6638 | |
| 267 | S | A | -1.9983 | |
| 268 | K | A | -2.2915 | |
| 269 | S | A | -1.4049 | |
| 270 | W | A | 0.0000 | |
| 271 | H | A | -1.3464 | |
| 272 | N | A | -1.4965 | |
| 273 | Y | A | -1.0355 | |
| 274 | M | A | 0.0000 | |
| 275 | C | A | 0.0000 | |
| 276 | N | A | -1.7025 | |
| 277 | E | A | -1.6450 | |
| 278 | V | A | 0.0000 | |
| 279 | I | A | 0.0000 | |
| 280 | Q | A | -1.9430 | |
| 281 | D | A | -2.2842 | |
| 282 | F | A | 0.0000 | |
| 283 | Q | A | 0.0000 | |
| 284 | A | A | -0.9232 | |
| 285 | S | A | -1.0829 | |
| 286 | V | A | 0.0000 | |
| 287 | L | A | 0.0000 | |
| 288 | Q | A | -1.0051 | |
| 289 | V | A | 0.0000 | |
| 290 | S | A | 0.0000 | |
| 291 | D | A | -2.7133 | |
| 292 | S | A | -1.5195 | |
| 293 | P | A | -1.2671 | |
| 294 | Y | A | -1.5690 | |
| 295 | D | A | -2.0230 | |
| 296 | E | A | -2.5906 | |
| 297 | Q | A | -1.8959 | |
| 298 | V | A | -0.4524 | |
| 299 | A | A | 0.0000 | |
| 300 | A | A | -1.1633 | |
| 301 | Q | A | -1.2072 | |
| 302 | M | A | -0.3526 | |
| 303 | P | A | -0.6162 | |
| 304 | T | A | -0.7041 | |
| 305 | V | A | -0.4506 | |
| 306 | H | A | -1.6366 | |
| 307 | Y | A | 0.0000 | |
| 308 | E | A | -2.3949 | |
| 309 | M | A | 0.0000 | |
| 310 | P | A | -0.6103 | |
| 311 | N | A | 0.0000 | |
| 312 | G | A | -2.0185 | |
| 313 | Y | A | -2.0241 | |
| 314 | N | A | -2.3258 | |
| 315 | T | A | -2.2178 | |
| 316 | D | A | -2.1240 | |
| 317 | Y | A | 0.0000 | |
| 318 | G | A | -0.7323 | |
| 319 | A | A | -0.9849 | |
| 320 | E | A | -0.7655 | |
| 321 | R | A | 0.0000 | |
| 322 | L | A | 0.0000 | |
| 323 | R | A | -1.4478 | |
| 324 | I | A | 0.0000 | |
| 325 | P | A | 0.0000 | |
| 326 | E | A | 0.0000 | |
| 327 | G | A | 0.0000 | |
| 328 | L | A | 0.0000 | |
| 329 | F | A | 0.0000 | |
| 330 | D | A | -1.1458 | |
| 331 | P | A | -0.9871 | |
| 332 | S | A | -1.3700 | |
| 333 | N | A | -1.9506 | |
| 334 | V | A | -1.5711 | |
| 335 | K | A | -2.2349 | |
| 336 | G | A | -1.2785 | |
| 337 | L | A | -0.8569 | |
| 338 | S | A | -0.9373 | |
| 339 | G | A | -1.1272 | |
| 340 | N | A | -1.5318 | |
| 341 | T | A | -0.5976 | |
| 342 | M | A | -0.2148 | |
| 343 | L | A | -0.2540 | |
| 344 | G | A | 0.0000 | |
| 345 | V | A | 0.0000 | |
| 346 | G | A | 0.0000 | |
| 347 | H | A | -1.0670 | |
| 348 | V | A | 0.0000 | |
| 349 | V | A | 0.0000 | |
| 350 | T | A | -0.5656 | |
| 351 | T | A | -0.2486 | |
| 352 | S | A | 0.0000 | |
| 353 | I | A | 0.0000 | |
| 354 | G | A | -0.1903 | |
| 355 | M | A | 0.0038 | |
| 356 | C | A | 0.0000 | |
| 357 | D | A | -1.3293 | |
| 358 | I | A | 0.1772 | |
| 359 | D | A | -1.4711 | |
| 360 | I | A | -0.9344 | |
| 361 | R | A | -0.9613 | |
| 362 | P | A | -1.1199 | |
| 363 | G | A | -1.0067 | |
| 364 | L | A | 0.0000 | |
| 365 | Y | A | 0.0000 | |
| 366 | G | A | -1.4459 | |
| 367 | S | A | -1.1512 | |
| 368 | V | A | 0.0000 | |
| 369 | I | A | 0.0000 | |
| 370 | V | A | 0.0000 | |
| 371 | T | A | 0.0000 | |
| 372 | G | A | 0.0000 | |
| 373 | G | A | -0.4994 | |
| 374 | N | A | -0.5686 | |
| 375 | T | A | 0.0000 | |
| 376 | L | A | -0.3602 | |
| 377 | L | A | -0.4483 | |
| 378 | Q | A | -1.6084 | |
| 379 | G | A | -1.7521 | |
| 380 | F | A | 0.0000 | |
| 381 | T | A | -1.5257 | |
| 382 | D | A | -2.9540 | |
| 383 | R | A | 0.0000 | |
| 384 | L | A | 0.0000 | |
| 385 | N | A | -2.5350 | |
| 386 | R | A | -2.8427 | |
| 387 | E | A | -2.2862 | |
| 388 | L | A | 0.0000 | |
| 389 | S | A | -2.1389 | |
| 390 | Q | A | -2.2334 | |
| 391 | K | A | -2.0390 | |
| 392 | T | A | 0.0000 | |
| 393 | P | A | -1.0492 | |
| 394 | P | A | -1.0324 | |
| 395 | S | A | -0.7408 | |
| 396 | M | A | -1.3610 | |
| 397 | R | A | -2.4466 | |
| 398 | L | A | 0.0000 | |
| 399 | K | A | -2.0332 | |
| 400 | L | A | -1.0479 | |
| 401 | I | A | -0.2919 | |
| 402 | A | A | -0.6132 | |
| 403 | S | A | -0.8994 | |
| 404 | N | A | -1.3605 | |
| 405 | S | A | -0.9795 | |
| 406 | T | A | -0.7569 | |
| 407 | M | A | -0.8022 | |
| 408 | E | A | -1.2897 | |
| 409 | R | A | -1.1965 | |
| 410 | K | A | -1.2340 | |
| 411 | F | A | -0.8500 | |
| 412 | S | A | 0.0000 | |
| 413 | P | A | -0.1075 | |
| 414 | W | A | 0.0000 | |
| 415 | I | A | 0.0000 | |
| 416 | G | A | 0.0000 | |
| 417 | G | A | 0.0000 | |
| 418 | S | A | 0.0000 | |
| 419 | I | A | 0.6146 | |
| 420 | L | A | 0.0000 | |
| 421 | A | A | 0.0000 | |
| 422 | S | A | -0.4077 | |
| 423 | L | A | 0.1613 | |
| 424 | G | A | -1.0326 | |
| 425 | T | A | -0.3701 | |
| 426 | F | A | 0.0000 | |
| 427 | Q | A | -0.4648 | |
| 428 | Q | A | -0.7759 | |
| 429 | M | A | -0.2820 | |
| 430 | W | A | 0.0000 | |
| 431 | I | A | 0.0000 | |
| 432 | S | A | -1.5516 | |
| 433 | K | A | -2.7595 | |
| 434 | Q | A | -3.1548 | |
| 435 | E | A | -2.9265 | |
| 436 | Y | A | 0.0000 | |
| 437 | E | A | -3.9493 | |
| 438 | E | A | -3.5606 | |
| 439 | G | A | -2.5124 | |
| 440 | G | A | -2.5369 | |
| 441 | K | A | -2.8262 | |
| 442 | Q | A | -2.9118 | |
| 443 | C | A | 0.0000 | |
| 444 | V | A | 0.0000 | |
| 445 | E | A | -2.8925 | |
| 446 | R | A | -2.8722 | |
| 447 | K | A | -1.8838 | |
| 448 | C | A | 0.0000 | |
| 449 | P | A | -0.9049 |
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