| Chain sequence(s) |
A: YLPPTTPVAKVQSTDEYVYPTSLFCHAHTDRLLTVGHPFKDIVVNGKVVVPKVSGWQWRVFRLKFPDPNKFALPQKDFYDPEKERLVWRLRGLEIGRGGPLGKGTVGHPLFNKLGDTENPTAPVHETEDVRVAFSFDPKQTQLFIVGCEPPTGEHWDLAEPCPGLPPGACPPIQLVNSVIEDGDMCDIGFGNMNFKELQQDRSGVPLDIVSTRCKWPDFLKMTNEAYGDKMFFFGRREQVYARHFYRRAGPEGHPLPDAPPPSPLYVRPAPGSPYAVRPSTDYFGTPSGSLVSSDGQLFNRPFWLQRAQGNNNGVCWHNELFVTVVDNTRNTNFTISQQISTPEENVYDPSYFKNYLRHVEQFELSLIAQLCKVPLDPGVLAHINTMNPTILENWNLGFVPPKEREDPYKGLIFWEVDLTERFSQDLDQFALGRKFLYQ
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | No |
| 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] runJob: FoldX not utilized. Treating input pdb file as it was already optimized. (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:00:02)
[INFO] Main: Simulation completed successfully. (00:00:08)
|
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 | Y | A | 1.9429 | |
| 2 | L | A | 1.9635 | |
| 3 | P | A | 0.8292 | |
| 4 | P | A | 0.3713 | |
| 5 | T | A | 0.1230 | |
| 6 | T | A | 0.1293 | |
| 7 | P | A | 0.1762 | |
| 8 | V | A | 1.2097 | |
| 9 | A | A | 0.0766 | |
| 10 | K | A | -1.0532 | |
| 11 | V | A | -0.2163 | |
| 12 | Q | A | -1.4401 | |
| 13 | S | A | -1.5618 | |
| 14 | T | A | 0.0000 | |
| 15 | D | A | -2.3884 | |
| 16 | E | A | -2.4266 | |
| 17 | Y | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | Y | A | 0.4635 | |
| 20 | P | A | 0.1327 | |
| 21 | T | A | 0.1602 | |
| 22 | S | A | -0.0925 | |
| 23 | L | A | 0.1046 | |
| 24 | F | A | -0.0230 | |
| 25 | C | A | 0.0000 | |
| 26 | H | A | 0.0000 | |
| 27 | A | A | 0.0000 | |
| 28 | H | A | -1.2871 | |
| 29 | T | A | 0.0000 | |
| 30 | D | A | -2.8938 | |
| 31 | R | A | -2.6728 | |
| 32 | L | A | -0.7934 | |
| 33 | L | A | 1.1650 | |
| 34 | T | A | 1.3791 | |
| 35 | V | A | 1.8494 | |
| 36 | G | A | 0.0000 | |
| 37 | H | A | -0.2163 | |
| 38 | P | A | 0.0000 | |
| 39 | F | A | -0.6382 | |
| 40 | K | A | -1.6946 | |
| 41 | D | A | -0.7119 | |
| 42 | I | A | 1.3453 | |
| 43 | V | A | 2.3199 | |
| 44 | V | A | 1.8543 | |
| 45 | N | A | -0.4418 | |
| 46 | G | A | -0.2823 | |
| 47 | K | A | -0.0101 | |
| 48 | V | A | 2.1737 | |
| 49 | V | A | 2.7815 | |
| 50 | V | A | 1.5775 | |
| 51 | P | A | 0.3726 | |
| 52 | K | A | -0.6745 | |
| 53 | V | A | 0.0000 | |
| 54 | S | A | 0.0000 | |
| 55 | G | A | 0.0000 | |
| 56 | W | A | 0.0000 | |
| 57 | Q | A | 0.0000 | |
| 58 | W | A | 0.0000 | |
| 59 | R | A | 0.0000 | |
| 60 | V | A | 0.0000 | |
| 61 | F | A | 0.0000 | |
| 62 | R | A | 0.0000 | |
| 63 | L | A | 0.0000 | |
| 64 | K | A | -2.1562 | |
| 65 | F | A | 0.0000 | |
| 66 | P | A | 0.0000 | |
| 67 | D | A | -1.3830 | |
| 68 | P | A | 0.0000 | |
| 69 | N | A | -1.2280 | |
| 70 | K | A | -1.7784 | |
| 71 | F | A | -0.6208 | |
| 72 | A | A | -0.5689 | |
| 73 | L | A | -0.8558 | |
| 74 | P | A | -1.2640 | |
| 75 | Q | A | -2.5053 | |
| 76 | K | A | -3.1075 | |
| 77 | D | A | -2.9928 | |
| 78 | F | A | -1.6650 | |
| 79 | Y | A | -1.8941 | |
| 80 | D | A | -2.6998 | |
| 81 | P | A | -2.3118 | |
| 82 | E | A | -3.0564 | |
| 83 | K | A | -3.4016 | |
| 84 | E | A | -2.4704 | |
| 85 | R | A | -1.2964 | |
| 86 | L | A | 0.0000 | |
| 87 | V | A | 0.0000 | |
| 88 | W | A | 0.0000 | |
| 89 | R | A | 0.0000 | |
| 90 | L | A | 0.0000 | |
| 91 | R | A | -0.6669 | |
| 92 | G | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | E | A | -0.9567 | |
| 95 | I | A | 0.0000 | |
| 96 | G | A | -1.3541 | |
| 97 | R | A | 0.0000 | |
| 98 | G | A | -0.6945 | |
| 99 | G | A | -0.5357 | |
| 100 | P | A | -0.4111 | |
| 101 | L | A | 0.0302 | |
| 102 | G | A | -0.2450 | |
| 103 | K | A | -0.7091 | |
| 104 | G | A | -0.4840 | |
| 105 | T | A | -0.4681 | |
| 106 | V | A | 0.0000 | |
| 107 | G | A | 0.1506 | |
| 108 | H | A | 0.0000 | |
| 109 | P | A | 0.4619 | |
| 110 | L | A | 0.4767 | |
| 111 | F | A | 0.0000 | |
| 112 | N | A | -0.9566 | |
| 113 | K | A | -0.5098 | |
| 114 | L | A | 0.0000 | |
| 115 | G | A | -0.7811 | |
| 116 | D | A | -1.2906 | |
| 117 | T | A | -0.8965 | |
| 118 | E | A | -1.8720 | |
| 119 | N | A | -2.0163 | |
| 120 | P | A | -1.3352 | |
| 121 | T | A | -0.6395 | |
| 122 | A | A | -0.2601 | |
| 123 | P | A | 0.2236 | |
| 124 | V | A | 0.1698 | |
| 125 | H | A | -0.7816 | |
| 126 | E | A | -1.9669 | |
| 127 | T | A | -1.8680 | |
| 128 | E | A | -3.1373 | |
| 129 | D | A | -2.8112 | |
| 130 | V | A | -1.5975 | |
| 131 | R | A | -0.8950 | |
| 132 | V | A | 0.4706 | |
| 133 | A | A | 0.4769 | |
| 134 | F | A | 0.2959 | |
| 135 | S | A | -0.0717 | |
| 136 | F | A | 0.0000 | |
| 137 | D | A | -0.7171 | |
| 138 | P | A | 0.0000 | |
| 139 | K | A | 0.0000 | |
| 140 | Q | A | -0.2505 | |
| 141 | T | A | 0.0000 | |
| 142 | Q | A | 0.0000 | |
| 143 | L | A | 0.0000 | |
| 144 | F | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | V | A | 0.0000 | |
| 147 | G | A | 0.0000 | |
| 148 | C | A | 0.0000 | |
| 149 | E | A | -0.5653 | |
| 150 | P | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | T | A | 0.0000 | |
| 153 | G | A | 0.0000 | |
| 154 | E | A | -0.1852 | |
| 155 | H | A | 0.0000 | |
| 156 | W | A | 1.1828 | |
| 157 | D | A | 0.3509 | |
| 158 | L | A | 0.8055 | |
| 159 | A | A | 0.1896 | |
| 160 | E | A | -1.4498 | |
| 161 | P | A | -0.2010 | |
| 162 | C | A | 0.1930 | |
| 163 | P | A | -0.1602 | |
| 164 | G | A | -0.0588 | |
| 165 | L | A | 0.6250 | |
| 166 | P | A | -0.0973 | |
| 167 | P | A | -0.3318 | |
| 168 | G | A | -0.4462 | |
| 169 | A | A | -0.0197 | |
| 170 | C | A | 0.6671 | |
| 171 | P | A | 0.5462 | |
| 172 | P | A | 0.8885 | |
| 173 | I | A | 2.0730 | |
| 174 | Q | A | 0.8746 | |
| 175 | L | A | 1.4914 | |
| 176 | V | A | 0.8558 | |
| 177 | N | A | -0.2953 | |
| 178 | S | A | 0.0279 | |
| 179 | V | A | 0.4301 | |
| 180 | I | A | 0.0000 | |
| 181 | E | A | 0.3819 | |
| 182 | D | A | 0.0760 | |
| 183 | G | A | -0.1651 | |
| 184 | D | A | -0.5149 | |
| 185 | M | A | 0.0000 | |
| 186 | C | A | 0.0000 | |
| 187 | D | A | 0.0000 | |
| 188 | I | A | 0.0000 | |
| 189 | G | A | 0.0979 | |
| 190 | F | A | 0.0655 | |
| 191 | G | A | -0.0977 | |
| 192 | N | A | -0.2285 | |
| 193 | M | A | -0.0687 | |
| 194 | N | A | 0.0000 | |
| 195 | F | A | 0.0000 | |
| 196 | K | A | -3.3835 | |
| 197 | E | A | -2.6247 | |
| 198 | L | A | -1.2235 | |
| 199 | Q | A | -2.5704 | |
| 200 | Q | A | -3.3199 | |
| 201 | D | A | -3.5884 | |
| 202 | R | A | -3.3307 | |
| 203 | S | A | 0.0000 | |
| 204 | G | A | 0.0000 | |
| 205 | V | A | 0.0000 | |
| 206 | P | A | 0.0000 | |
| 207 | L | A | 0.2210 | |
| 208 | D | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | V | A | -1.3268 | |
| 211 | S | A | -1.8502 | |
| 212 | T | A | -1.3705 | |
| 213 | R | A | -1.9694 | |
| 214 | C | A | 0.0000 | |
| 215 | K | A | 0.0000 | |
| 216 | W | A | -0.1468 | |
| 217 | P | A | 0.0000 | |
| 218 | D | A | 0.0000 | |
| 219 | F | A | 0.3833 | |
| 220 | L | A | 0.6206 | |
| 221 | K | A | -1.0808 | |
| 222 | M | A | 0.0000 | |
| 223 | T | A | -0.8073 | |
| 224 | N | A | -1.4836 | |
| 225 | E | A | -1.2246 | |
| 226 | A | A | -0.6102 | |
| 227 | Y | A | -0.3605 | |
| 228 | G | A | 0.0000 | |
| 229 | D | A | 0.0000 | |
| 230 | K | A | -0.6658 | |
| 231 | M | A | 0.0000 | |
| 232 | F | A | 0.0000 | |
| 233 | F | A | 0.0762 | |
| 234 | F | A | 0.2598 | |
| 235 | G | A | -0.8223 | |
| 236 | R | A | -2.6098 | |
| 237 | R | A | -2.8991 | |
| 238 | E | A | -2.1493 | |
| 239 | Q | A | -0.2074 | |
| 240 | V | A | 1.4070 | |
| 241 | Y | A | 1.0835 | |
| 242 | A | A | 0.1328 | |
| 243 | R | A | -1.1459 | |
| 244 | H | A | -1.0632 | |
| 245 | F | A | -0.0336 | |
| 246 | Y | A | 0.0000 | |
| 247 | R | A | 0.0000 | |
| 248 | R | A | -0.5877 | |
| 249 | A | A | -1.4366 | |
| 250 | G | A | -0.9921 | |
| 251 | P | A | -1.1348 | |
| 252 | E | A | -1.3585 | |
| 253 | G | A | -1.2749 | |
| 254 | H | A | -1.4603 | |
| 255 | P | A | -1.3680 | |
| 256 | L | A | -0.3974 | |
| 257 | P | A | -0.8796 | |
| 258 | D | A | -1.9351 | |
| 259 | A | A | -0.8572 | |
| 260 | P | A | -0.9203 | |
| 261 | P | A | -0.5109 | |
| 262 | P | A | -0.1285 | |
| 263 | S | A | 0.0309 | |
| 264 | P | A | 0.6740 | |
| 265 | L | A | 1.5165 | |
| 266 | Y | A | 1.1525 | |
| 267 | V | A | 1.2487 | |
| 268 | R | A | -0.7219 | |
| 269 | P | A | -0.0084 | |
| 270 | A | A | -0.2093 | |
| 271 | P | A | -0.5374 | |
| 272 | G | A | -0.2169 | |
| 273 | S | A | 0.1481 | |
| 274 | P | A | 0.5261 | |
| 275 | Y | A | 1.2442 | |
| 276 | A | A | 0.7985 | |
| 277 | V | A | 1.5426 | |
| 278 | R | A | 0.2765 | |
| 279 | P | A | -0.2450 | |
| 280 | S | A | 0.0000 | |
| 281 | T | A | -0.5195 | |
| 282 | D | A | -0.8911 | |
| 283 | Y | A | 0.8600 | |
| 284 | F | A | 0.6919 | |
| 285 | G | A | 0.1999 | |
| 286 | T | A | 0.0000 | |
| 287 | P | A | 0.0000 | |
| 288 | S | A | 0.0000 | |
| 289 | G | A | 0.0000 | |
| 290 | S | A | 0.8740 | |
| 291 | L | A | 1.5958 | |
| 292 | V | A | 0.6063 | |
| 293 | S | A | -0.1585 | |
| 294 | S | A | -0.9598 | |
| 295 | D | A | -1.8422 | |
| 296 | G | A | 0.0000 | |
| 297 | Q | A | 0.0000 | |
| 298 | L | A | -1.1151 | |
| 299 | F | A | 0.0000 | |
| 300 | N | A | -1.6355 | |
| 301 | R | A | -1.8400 | |
| 302 | P | A | -0.9444 | |
| 303 | F | A | -0.1891 | |
| 304 | W | A | -0.5650 | |
| 305 | L | A | 0.0000 | |
| 306 | Q | A | -2.0857 | |
| 307 | R | A | -2.8342 | |
| 308 | A | A | 0.0000 | |
| 309 | Q | A | -1.2720 | |
| 310 | G | A | -1.2273 | |
| 311 | N | A | -1.2819 | |
| 312 | N | A | 0.0000 | |
| 313 | N | A | 0.0000 | |
| 314 | G | A | 0.0000 | |
| 315 | V | A | 0.0000 | |
| 316 | C | A | 0.0000 | |
| 317 | W | A | 0.0000 | |
| 318 | H | A | -0.8276 | |
| 319 | N | A | -0.9363 | |
| 320 | E | A | -1.0442 | |
| 321 | L | A | 0.0000 | |
| 322 | F | A | 0.0000 | |
| 323 | V | A | 0.0000 | |
| 324 | T | A | 0.0000 | |
| 325 | V | A | 0.0000 | |
| 326 | V | A | 0.0000 | |
| 327 | D | A | 0.0000 | |
| 328 | N | A | 0.0000 | |
| 329 | T | A | 0.0000 | |
| 330 | R | A | -0.3561 | |
| 331 | N | A | 0.0000 | |
| 332 | T | A | -0.0995 | |
| 333 | N | A | 0.5836 | |
| 334 | F | A | 1.7872 | |
| 335 | T | A | 0.8336 | |
| 336 | I | A | 0.5235 | |
| 337 | S | A | -0.9238 | |
| 338 | Q | A | -1.7485 | |
| 339 | Q | A | -1.3556 | |
| 340 | I | A | 0.6512 | |
| 341 | S | A | -0.0184 | |
| 342 | T | A | -0.6081 | |
| 343 | P | A | -1.0685 | |
| 344 | E | A | -2.4001 | |
| 345 | E | A | -2.6802 | |
| 346 | N | A | -1.6016 | |
| 347 | V | A | 0.4110 | |
| 348 | Y | A | 0.9587 | |
| 349 | D | A | 0.0823 | |
| 350 | P | A | -0.6299 | |
| 351 | S | A | -0.2146 | |
| 352 | Y | A | -0.1890 | |
| 353 | F | A | -0.8056 | |
| 354 | K | A | -1.8396 | |
| 355 | N | A | -1.7265 | |
| 356 | Y | A | 0.1263 | |
| 357 | L | A | 0.7720 | |
| 358 | R | A | 1.0311 | |
| 359 | H | A | 0.0000 | |
| 360 | V | A | 1.3991 | |
| 361 | E | A | 0.0000 | |
| 362 | Q | A | -0.0727 | |
| 363 | F | A | 0.0000 | |
| 364 | E | A | -2.0322 | |
| 365 | L | A | 0.0000 | |
| 366 | S | A | -0.6850 | |
| 367 | L | A | 0.0000 | |
| 368 | I | A | 0.0000 | |
| 369 | A | A | 0.0000 | |
| 370 | Q | A | 0.0000 | |
| 371 | L | A | 0.0000 | |
| 372 | C | A | 0.0000 | |
| 373 | K | A | -0.2786 | |
| 374 | V | A | 0.0000 | |
| 375 | P | A | -1.3130 | |
| 376 | L | A | -1.7146 | |
| 377 | D | A | -1.9831 | |
| 378 | P | A | -1.0333 | |
| 379 | G | A | -1.0115 | |
| 380 | V | A | -0.9344 | |
| 381 | L | A | -0.5299 | |
| 382 | A | A | -0.6543 | |
| 383 | H | A | -0.8160 | |
| 384 | I | A | 0.0000 | |
| 385 | N | A | -1.4099 | |
| 386 | T | A | -0.5562 | |
| 387 | M | A | -0.3037 | |
| 388 | N | A | -0.8661 | |
| 389 | P | A | -1.2467 | |
| 390 | T | A | -1.4495 | |
| 391 | I | A | 0.0000 | |
| 392 | L | A | -1.4433 | |
| 393 | E | A | -2.7808 | |
| 394 | N | A | -2.4016 | |
| 395 | W | A | -1.3765 | |
| 396 | N | A | -1.1074 | |
| 397 | L | A | -0.1965 | |
| 398 | G | A | 0.5288 | |
| 399 | F | A | 2.4134 | |
| 400 | V | A | 1.8213 | |
| 401 | P | A | 0.0498 | |
| 402 | P | A | -1.8527 | |
| 403 | K | A | -3.3300 | |
| 404 | E | A | -3.7886 | |
| 405 | R | A | -3.9392 | |
| 406 | E | A | -3.7991 | |
| 407 | D | A | -2.8863 | |
| 408 | P | A | -1.7736 | |
| 409 | Y | A | -0.9902 | |
| 410 | K | A | -2.1261 | |
| 411 | G | A | -0.6343 | |
| 412 | L | A | 0.6742 | |
| 413 | I | A | 1.5861 | |
| 414 | F | A | 0.0000 | |
| 415 | W | A | -0.4001 | |
| 416 | E | A | -1.7045 | |
| 417 | V | A | 0.0000 | |
| 418 | D | A | -2.9562 | |
| 419 | L | A | 0.0000 | |
| 420 | T | A | -2.0483 | |
| 421 | E | A | -2.7834 | |
| 422 | R | A | -2.6364 | |
| 423 | F | A | -1.2783 | |
| 424 | S | A | -1.4576 | |
| 425 | Q | A | -1.8539 | |
| 426 | D | A | -2.8925 | |
| 427 | L | A | -1.9949 | |
| 428 | D | A | -2.7900 | |
| 429 | Q | A | -2.6247 | |
| 430 | F | A | -1.4412 | |
| 431 | A | A | -0.9185 | |
| 432 | L | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | R | A | -1.6536 | |
| 435 | K | A | -0.7479 | |
| 436 | F | A | 0.1148 | |
| 437 | L | A | 1.0025 | |
| 438 | Y | A | 0.8048 | |
| 439 | Q | A | -0.2893 |
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