| Chain sequence(s) |
A: YLPPTTPVAKVQSTDEYVYPTSLFCHAHTDRLLTVGHPFSDIVKNGKVVVPKVSGYQWRVFRLKFPDPNKFALPQKDFYDPEKERLVWRLRGLEIGRGGPLGKGTIGHPLFNKLGDTENPTAPVHETEDVRVNFSFDPKQTQLFIVGCEPPTGEHWDLAPPCPGLPPGACPPIQLVNSVIEDGDMCDIGFGNMNFKELQQDRSGVPLDIVSTRCKWPDFLKMTNEAYGDKMFFFGRREQVYARHFYRRAGPEGHPLPDAPPPSPLYVRPPPSSPYAVRPSTDYFGTPSGSLVSSDGQLFNRPFWLQRAQGNNNGVCWHNELFVTVVDNTRNTNFTISQQLSTPEDNVYDPSNFKNYLRHVEQFELSLIAQLCKVPLDPGVLAHINTMNPTILENWNLGFVPPKEREDPYKGLIFWEVDLTERFSQDLDQFALGRKFLYQ
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] (00:00:00)
[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] runJob: FoldX not utilized. Treating input pdb file as it was already optimized. (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:00:01)
[INFO] Main: Simulation completed successfully. (00:00:04)
|
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 | 1.9393 | |
| 2 | L | A | 1.9618 | |
| 3 | P | A | 0.6621 | |
| 4 | P | A | 0.3667 | |
| 5 | T | A | 0.1211 | |
| 6 | T | A | 0.1233 | |
| 7 | P | A | 0.1478 | |
| 8 | V | A | 1.2343 | |
| 9 | A | A | 0.0831 | |
| 10 | K | A | -1.0239 | |
| 11 | V | A | -0.1659 | |
| 12 | Q | A | -1.4100 | |
| 13 | S | A | -1.5569 | |
| 14 | T | A | 0.0000 | |
| 15 | D | A | -2.4153 | |
| 16 | E | A | -2.4379 | |
| 17 | Y | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | Y | A | 0.4616 | |
| 20 | P | A | 0.1289 | |
| 21 | T | A | 0.1798 | |
| 22 | S | A | -0.0967 | |
| 23 | L | A | 0.1109 | |
| 24 | F | A | -0.0332 | |
| 25 | C | A | 0.0000 | |
| 26 | H | A | 0.0000 | |
| 27 | A | A | 0.0000 | |
| 28 | H | A | -1.2906 | |
| 29 | T | A | 0.0000 | |
| 30 | D | A | -2.9028 | |
| 31 | R | A | -2.6865 | |
| 32 | L | A | -0.7996 | |
| 33 | L | A | 1.1547 | |
| 34 | T | A | 1.3582 | |
| 35 | V | A | 1.8053 | |
| 36 | G | A | 0.0000 | |
| 37 | H | A | 0.2333 | |
| 38 | P | A | 0.0000 | |
| 39 | F | A | 0.1695 | |
| 40 | S | A | -0.0300 | |
| 41 | D | A | -0.0959 | |
| 42 | I | A | 1.4554 | |
| 43 | V | A | 1.3173 | |
| 44 | K | A | -1.1275 | |
| 45 | N | A | -1.9295 | |
| 46 | G | A | -1.2032 | |
| 47 | K | A | -0.9492 | |
| 48 | V | A | 1.6458 | |
| 49 | V | A | 2.0800 | |
| 50 | V | A | 1.5172 | |
| 51 | P | A | 0.7791 | |
| 52 | K | A | -0.0538 | |
| 53 | V | A | 0.0000 | |
| 54 | S | A | 0.0000 | |
| 55 | G | A | 0.0000 | |
| 56 | Y | 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 | -2.1374 | |
| 65 | F | A | 0.0000 | |
| 66 | P | A | 0.0000 | |
| 67 | D | A | -1.3709 | |
| 68 | P | A | 0.0000 | |
| 69 | N | A | -1.2637 | |
| 70 | K | A | -1.7833 | |
| 71 | F | A | -0.6306 | |
| 72 | A | A | -0.5756 | |
| 73 | L | A | -0.8632 | |
| 74 | P | A | -1.2052 | |
| 75 | Q | A | -2.5066 | |
| 76 | K | A | -3.1134 | |
| 77 | D | A | -2.9962 | |
| 78 | F | A | -1.6599 | |
| 79 | Y | A | -1.9045 | |
| 80 | D | A | -2.7095 | |
| 81 | P | A | -2.3116 | |
| 82 | E | A | -3.0568 | |
| 83 | K | A | -3.4049 | |
| 84 | E | A | -2.4725 | |
| 85 | R | A | -1.2996 | |
| 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 | -0.6590 | |
| 92 | G | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | E | A | -0.9606 | |
| 95 | I | A | 0.0000 | |
| 96 | G | A | -1.3571 | |
| 97 | R | A | 0.0000 | |
| 98 | G | A | -0.6926 | |
| 99 | G | A | -0.5286 | |
| 100 | P | A | -0.3825 | |
| 101 | L | A | 0.0885 | |
| 102 | G | A | -0.1940 | |
| 103 | K | A | -0.6108 | |
| 104 | G | A | -0.4565 | |
| 105 | T | A | -0.4504 | |
| 106 | I | A | 0.0000 | |
| 107 | G | A | -0.1124 | |
| 108 | H | A | 0.0000 | |
| 109 | P | A | -0.1603 | |
| 110 | L | A | -0.0105 | |
| 111 | F | A | 0.0000 | |
| 112 | N | A | -1.1594 | |
| 113 | K | A | -0.5576 | |
| 114 | L | A | 0.0000 | |
| 115 | G | A | 0.0000 | |
| 116 | D | A | -1.1741 | |
| 117 | T | A | -0.8095 | |
| 118 | E | A | -1.7443 | |
| 119 | N | A | -1.9613 | |
| 120 | P | A | -1.2807 | |
| 121 | T | A | -0.6121 | |
| 122 | A | A | -0.2627 | |
| 123 | P | A | -0.0833 | |
| 124 | V | A | -0.1066 | |
| 125 | H | A | -1.0841 | |
| 126 | E | A | -2.5260 | |
| 127 | T | A | -2.3463 | |
| 128 | E | A | -3.0853 | |
| 129 | D | A | -2.9140 | |
| 130 | V | A | -1.7753 | |
| 131 | R | A | -1.2502 | |
| 132 | V | A | -0.2989 | |
| 133 | N | A | -0.8959 | |
| 134 | F | A | -0.3868 | |
| 135 | S | A | -0.3708 | |
| 136 | F | A | 0.0000 | |
| 137 | D | A | -0.6249 | |
| 138 | P | A | 0.0000 | |
| 139 | K | A | 0.0000 | |
| 140 | Q | A | 0.0000 | |
| 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 | -0.5638 | |
| 150 | P | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | T | A | 0.0000 | |
| 153 | G | A | 0.0000 | |
| 154 | E | A | -0.2021 | |
| 155 | H | A | 0.0000 | |
| 156 | W | A | 1.2021 | |
| 157 | D | A | 0.5323 | |
| 158 | L | A | 1.1732 | |
| 159 | A | A | 0.9571 | |
| 160 | P | A | 0.0908 | |
| 161 | P | A | 0.4480 | |
| 162 | C | A | 0.5086 | |
| 163 | P | A | 0.0039 | |
| 164 | G | A | -0.0979 | |
| 165 | L | A | 0.5589 | |
| 166 | P | A | -0.1224 | |
| 167 | P | A | -0.3435 | |
| 168 | G | A | -0.4549 | |
| 169 | A | A | -0.0306 | |
| 170 | C | A | 0.6458 | |
| 171 | P | A | 0.7487 | |
| 172 | P | A | 1.1939 | |
| 173 | I | A | 2.3191 | |
| 174 | Q | A | 1.2556 | |
| 175 | L | A | 1.5855 | |
| 176 | V | A | 0.8964 | |
| 177 | N | A | -0.2770 | |
| 178 | S | A | 0.0304 | |
| 179 | V | A | 0.4316 | |
| 180 | I | A | 0.0000 | |
| 181 | E | A | 0.3880 | |
| 182 | D | A | 0.0877 | |
| 183 | G | A | -0.1535 | |
| 184 | D | A | -0.5415 | |
| 185 | M | A | 0.0000 | |
| 186 | C | A | 0.0000 | |
| 187 | D | A | 0.0000 | |
| 188 | I | A | 0.0000 | |
| 189 | G | A | 0.1039 | |
| 190 | F | A | 0.0595 | |
| 191 | G | A | -0.1063 | |
| 192 | N | A | -0.2652 | |
| 193 | M | A | -0.1117 | |
| 194 | N | A | 0.0000 | |
| 195 | F | A | 0.0000 | |
| 196 | K | A | -3.4261 | |
| 197 | E | A | -2.6438 | |
| 198 | L | A | -1.2463 | |
| 199 | Q | A | -2.5707 | |
| 200 | Q | A | -3.3287 | |
| 201 | D | A | -3.5821 | |
| 202 | R | A | -3.3411 | |
| 203 | S | A | 0.0000 | |
| 204 | G | A | 0.0000 | |
| 205 | V | A | 0.0000 | |
| 206 | P | A | 0.0000 | |
| 207 | L | A | 0.4483 | |
| 208 | D | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | V | A | -1.3688 | |
| 211 | S | A | -1.7320 | |
| 212 | T | A | -1.4512 | |
| 213 | R | A | -2.1156 | |
| 214 | C | A | 0.0000 | |
| 215 | K | A | 0.0000 | |
| 216 | W | A | -0.1618 | |
| 217 | P | A | 0.0000 | |
| 218 | D | A | 0.0000 | |
| 219 | F | A | 0.3506 | |
| 220 | L | A | 0.6017 | |
| 221 | K | A | -1.1178 | |
| 222 | M | A | 0.0000 | |
| 223 | T | A | -0.8969 | |
| 224 | N | A | -1.6195 | |
| 225 | E | A | -1.2445 | |
| 226 | A | A | -0.6107 | |
| 227 | Y | A | -0.4201 | |
| 228 | G | A | 0.0000 | |
| 229 | D | A | 0.0000 | |
| 230 | K | A | -0.6879 | |
| 231 | M | A | 0.0000 | |
| 232 | F | A | 0.0000 | |
| 233 | F | A | -0.1556 | |
| 234 | F | A | 0.0106 | |
| 235 | G | A | -0.9158 | |
| 236 | R | A | -2.6462 | |
| 237 | R | A | -2.8612 | |
| 238 | E | A | -2.1279 | |
| 239 | Q | A | -0.1919 | |
| 240 | V | A | 1.4203 | |
| 241 | Y | A | 1.1106 | |
| 242 | A | A | 0.2374 | |
| 243 | R | A | -0.8728 | |
| 244 | H | A | -0.9208 | |
| 245 | F | A | 0.0546 | |
| 246 | Y | A | 0.0000 | |
| 247 | R | A | 0.0000 | |
| 248 | R | A | -0.5473 | |
| 249 | A | A | -1.5532 | |
| 250 | G | A | -1.2405 | |
| 251 | P | A | -1.1537 | |
| 252 | E | A | -1.3446 | |
| 253 | G | A | -1.2627 | |
| 254 | H | A | -1.4482 | |
| 255 | P | A | -1.3747 | |
| 256 | L | A | -0.4069 | |
| 257 | P | A | -0.9003 | |
| 258 | D | A | -1.9693 | |
| 259 | A | A | -0.8741 | |
| 260 | P | A | -0.9848 | |
| 261 | P | A | -0.7165 | |
| 262 | P | A | -0.1659 | |
| 263 | S | A | -0.0088 | |
| 264 | P | A | 0.6887 | |
| 265 | L | A | 1.5283 | |
| 266 | Y | A | 1.1281 | |
| 267 | V | A | 1.0799 | |
| 268 | R | A | -1.1282 | |
| 269 | P | A | -0.3245 | |
| 270 | P | A | -0.5705 | |
| 271 | P | A | -0.3648 | |
| 272 | S | A | -0.1341 | |
| 273 | S | A | 0.0513 | |
| 274 | P | A | 0.3824 | |
| 275 | Y | A | 0.9283 | |
| 276 | A | A | 0.5827 | |
| 277 | V | A | 1.4786 | |
| 278 | R | A | 0.0229 | |
| 279 | P | A | -0.2808 | |
| 280 | S | A | 0.0000 | |
| 281 | T | A | -0.4669 | |
| 282 | D | A | -0.8064 | |
| 283 | Y | A | 0.8777 | |
| 284 | F | A | 0.7077 | |
| 285 | G | A | 0.2554 | |
| 286 | T | A | 0.0000 | |
| 287 | P | A | 0.0000 | |
| 288 | S | A | 0.0000 | |
| 289 | G | A | 0.0000 | |
| 290 | S | A | 0.9332 | |
| 291 | L | A | 1.6234 | |
| 292 | V | A | 0.6489 | |
| 293 | S | A | -0.1495 | |
| 294 | S | A | -0.9513 | |
| 295 | D | A | -1.8425 | |
| 296 | G | A | 0.0000 | |
| 297 | Q | A | 0.0000 | |
| 298 | L | A | -1.0961 | |
| 299 | F | A | 0.0000 | |
| 300 | N | A | -1.6239 | |
| 301 | R | A | -1.8220 | |
| 302 | P | A | -0.9592 | |
| 303 | F | A | -0.2048 | |
| 304 | W | A | -0.5581 | |
| 305 | L | A | 0.0000 | |
| 306 | Q | A | -2.0845 | |
| 307 | R | A | -2.9255 | |
| 308 | A | A | 0.0000 | |
| 309 | Q | A | -1.7892 | |
| 310 | G | A | -1.4262 | |
| 311 | N | A | -1.3579 | |
| 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 | -0.7505 | |
| 319 | N | A | -0.8295 | |
| 320 | E | A | -1.0246 | |
| 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 | -0.3271 | |
| 331 | N | A | 0.0000 | |
| 332 | T | A | -0.0840 | |
| 333 | N | A | 0.5315 | |
| 334 | F | A | 1.7138 | |
| 335 | T | A | 0.8555 | |
| 336 | I | A | 0.4134 | |
| 337 | S | A | -1.0519 | |
| 338 | Q | A | -1.9407 | |
| 339 | Q | A | -1.7537 | |
| 340 | L | A | 0.1889 | |
| 341 | S | A | -0.2990 | |
| 342 | T | A | -1.0342 | |
| 343 | P | A | -1.5321 | |
| 344 | E | A | -2.7946 | |
| 345 | D | A | -2.5075 | |
| 346 | N | A | -1.5481 | |
| 347 | V | A | 0.6243 | |
| 348 | Y | A | 1.1059 | |
| 349 | D | A | -0.2230 | |
| 350 | P | A | -0.7288 | |
| 351 | S | A | -0.6106 | |
| 352 | N | A | -0.5749 | |
| 353 | F | A | -1.2067 | |
| 354 | K | A | -2.0544 | |
| 355 | N | A | -1.8425 | |
| 356 | Y | A | -0.1420 | |
| 357 | L | A | 0.6280 | |
| 358 | R | A | 0.9474 | |
| 359 | H | A | 0.0000 | |
| 360 | V | A | 1.3566 | |
| 361 | E | A | 0.0000 | |
| 362 | Q | A | -0.0832 | |
| 363 | F | A | 0.0000 | |
| 364 | E | A | -2.0519 | |
| 365 | L | A | 0.0000 | |
| 366 | S | A | -0.6885 | |
| 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 | -0.3050 | |
| 374 | V | A | 0.0000 | |
| 375 | P | A | -1.3182 | |
| 376 | L | A | -1.7179 | |
| 377 | D | A | -2.0052 | |
| 378 | P | A | -1.0435 | |
| 379 | G | A | -1.0183 | |
| 380 | V | A | -0.9371 | |
| 381 | L | A | -0.5360 | |
| 382 | A | A | -0.6585 | |
| 383 | H | A | -0.8108 | |
| 384 | I | A | 0.0000 | |
| 385 | N | A | -1.4123 | |
| 386 | T | A | -0.5539 | |
| 387 | M | A | -0.3028 | |
| 388 | N | A | -0.8650 | |
| 389 | P | A | -1.2290 | |
| 390 | T | A | -1.4026 | |
| 391 | I | A | 0.0000 | |
| 392 | L | A | -1.3867 | |
| 393 | E | A | -2.7160 | |
| 394 | N | A | -2.4231 | |
| 395 | W | A | -1.2993 | |
| 396 | N | A | -1.0653 | |
| 397 | L | A | -0.1683 | |
| 398 | G | A | 0.5374 | |
| 399 | F | A | 2.4138 | |
| 400 | V | A | 1.8263 | |
| 401 | P | A | 0.0502 | |
| 402 | P | A | -1.8104 | |
| 403 | K | A | -3.2984 | |
| 404 | E | A | -3.8096 | |
| 405 | R | A | -3.8141 | |
| 406 | E | A | -3.7389 | |
| 407 | D | A | -2.8450 | |
| 408 | P | A | -1.7501 | |
| 409 | Y | A | -0.9847 | |
| 410 | K | A | -2.0998 | |
| 411 | G | A | -0.6415 | |
| 412 | L | A | 0.6749 | |
| 413 | I | A | 1.5910 | |
| 414 | F | A | 0.0000 | |
| 415 | W | A | -0.3911 | |
| 416 | E | A | -1.6857 | |
| 417 | V | A | 0.0000 | |
| 418 | D | A | -2.9494 | |
| 419 | L | A | 0.0000 | |
| 420 | T | A | -2.0521 | |
| 421 | E | A | -2.7890 | |
| 422 | R | A | -2.6524 | |
| 423 | F | A | -1.2905 | |
| 424 | S | A | -1.4783 | |
| 425 | Q | A | -1.8729 | |
| 426 | D | A | -2.9048 | |
| 427 | L | A | -1.9901 | |
| 428 | D | A | -2.7741 | |
| 429 | Q | A | -2.6145 | |
| 430 | F | A | -1.4182 | |
| 431 | A | A | -0.9002 | |
| 432 | L | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | R | A | -1.6012 | |
| 435 | K | A | -0.7163 | |
| 436 | F | A | 0.1371 | |
| 437 | L | A | 1.0180 | |
| 438 | Y | A | 0.8186 | |
| 439 | Q | A | -0.2760 |
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