| Chain sequence(s) |
A: YLPPTTPVAKVQSTDEYVYPTSLFCHAHTDRLLTVGHPFKDIVKNGKVVVPKVSGWQWRVFRLKFPDPNKFALPQKDFYDPEKERLVWRLRGLEIGRGGPLGRGTVGHPLFNKLGDTENPTAYQHETADVRVAFSFDPKQTQLFIVGCEPPTGEHWDLAEPCPGLPPGACPPIQLVNSVIEDGDMCDIGFGNMNFKELQQDRSGVPLDIVSTRCKWPDFLKMTNEAYGDKMFFFGRREQVYARHFYRRAGPEGHPLPAAPPPSPLYVAPPPSSPYATPPSTDYFGTPSGSLVSSDGQLFNRPFWLQRAQGNNNGVCWHNELFVTVVDNTRNTNFTISQQISTPKVNVYDPKNFKNYLRHVEQFELSLIAQLCKVPLDPGVLAHINTMNPTILENWNLGFVPPKEREDPYKGLIFWEVDLTERFSQDLDQFALGRKFLYQ
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. (00:00:05)
|
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 | 1.9457 | |
| 2 | L | A | 1.9688 | |
| 3 | P | A | 0.6515 | |
| 4 | P | A | 0.3734 | |
| 5 | T | A | 0.1228 | |
| 6 | T | A | 0.1295 | |
| 7 | P | A | 0.1786 | |
| 8 | V | A | 1.2156 | |
| 9 | A | A | 0.0413 | |
| 10 | K | A | -1.1382 | |
| 11 | V | A | -0.3831 | |
| 12 | Q | A | -1.5088 | |
| 13 | S | A | -1.6036 | |
| 14 | T | A | 0.0000 | |
| 15 | D | A | -2.4450 | |
| 16 | E | A | -2.4511 | |
| 17 | Y | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | Y | A | 0.4568 | |
| 20 | P | A | 0.1056 | |
| 21 | T | A | 0.1158 | |
| 22 | S | A | -0.1695 | |
| 23 | L | A | 0.0000 | |
| 24 | F | A | -0.1076 | |
| 25 | C | A | 0.0000 | |
| 26 | H | A | 0.0000 | |
| 27 | A | A | 0.0000 | |
| 28 | H | A | -1.1371 | |
| 29 | T | A | 0.0000 | |
| 30 | D | A | -2.6360 | |
| 31 | R | A | -2.5529 | |
| 32 | L | A | -0.7167 | |
| 33 | L | A | 1.2449 | |
| 34 | T | A | 1.6485 | |
| 35 | V | A | 2.0027 | |
| 36 | G | A | 0.0000 | |
| 37 | H | A | -0.1853 | |
| 38 | P | A | 0.0000 | |
| 39 | F | A | -0.6197 | |
| 40 | K | A | -1.6266 | |
| 41 | D | A | -0.9164 | |
| 42 | I | A | 0.8315 | |
| 43 | V | A | 1.0227 | |
| 44 | K | A | -1.1904 | |
| 45 | N | A | -1.9305 | |
| 46 | G | A | -1.2378 | |
| 47 | K | A | -0.9460 | |
| 48 | V | A | 1.5011 | |
| 49 | V | A | 2.0695 | |
| 50 | V | A | 1.3045 | |
| 51 | P | A | 0.4987 | |
| 52 | K | A | -0.6038 | |
| 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 | -2.1445 | |
| 65 | F | A | 0.0000 | |
| 66 | P | A | 0.0000 | |
| 67 | D | A | -1.4993 | |
| 68 | P | A | 0.0000 | |
| 69 | N | A | -1.2982 | |
| 70 | K | A | -1.8112 | |
| 71 | F | A | -0.6653 | |
| 72 | A | A | -0.5621 | |
| 73 | L | A | -0.8428 | |
| 74 | P | A | -1.2532 | |
| 75 | Q | A | -2.4733 | |
| 76 | K | A | -3.0912 | |
| 77 | D | A | -2.9882 | |
| 78 | F | A | -1.6376 | |
| 79 | Y | A | -1.9178 | |
| 80 | D | A | -2.7573 | |
| 81 | P | A | -2.3502 | |
| 82 | E | A | -3.0717 | |
| 83 | K | A | -3.4372 | |
| 84 | E | A | -2.5012 | |
| 85 | R | A | -1.3156 | |
| 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 | -0.6512 | |
| 92 | G | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | E | A | -0.9622 | |
| 95 | I | A | 0.0000 | |
| 96 | G | A | -1.3074 | |
| 97 | R | A | 0.0000 | |
| 98 | G | A | -0.6728 | |
| 99 | G | A | -0.5337 | |
| 100 | P | A | -0.5166 | |
| 101 | L | A | -0.1952 | |
| 102 | G | A | -0.7274 | |
| 103 | R | A | -1.6412 | |
| 104 | G | A | 0.0000 | |
| 105 | T | A | -0.6518 | |
| 106 | V | A | 0.0000 | |
| 107 | G | A | 0.1610 | |
| 108 | H | A | 0.0000 | |
| 109 | P | A | 0.4509 | |
| 110 | L | A | 0.4248 | |
| 111 | F | A | 0.0000 | |
| 112 | N | A | -0.9552 | |
| 113 | K | A | -0.4217 | |
| 114 | L | A | -1.1009 | |
| 115 | G | A | 0.0000 | |
| 116 | D | A | -1.4109 | |
| 117 | T | A | -1.1592 | |
| 118 | E | A | -2.4442 | |
| 119 | N | A | -2.2809 | |
| 120 | P | A | -1.5429 | |
| 121 | T | A | -0.8041 | |
| 122 | A | A | -0.4507 | |
| 123 | Y | A | -0.2569 | |
| 124 | Q | A | -1.4899 | |
| 125 | H | A | -1.9747 | |
| 126 | E | A | -2.3360 | |
| 127 | T | A | -1.4613 | |
| 128 | A | A | -1.3097 | |
| 129 | D | A | -1.9719 | |
| 130 | V | A | -1.2176 | |
| 131 | R | A | -0.7339 | |
| 132 | V | A | 0.4263 | |
| 133 | A | A | 0.4593 | |
| 134 | F | A | 0.2907 | |
| 135 | S | A | -0.0598 | |
| 136 | F | A | 0.0000 | |
| 137 | D | A | -0.6536 | |
| 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 | -0.5645 | |
| 150 | P | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | T | A | 0.0000 | |
| 153 | G | A | 0.0000 | |
| 154 | E | A | -0.2634 | |
| 155 | H | A | 0.0000 | |
| 156 | W | A | 1.0717 | |
| 157 | D | A | 0.2260 | |
| 158 | L | A | 0.6061 | |
| 159 | A | A | 0.0333 | |
| 160 | E | A | -1.5291 | |
| 161 | P | A | -0.2982 | |
| 162 | C | A | 0.1669 | |
| 163 | P | A | -0.1774 | |
| 164 | G | A | -0.0771 | |
| 165 | L | A | 0.5882 | |
| 166 | P | A | -0.1121 | |
| 167 | P | A | -0.3402 | |
| 168 | G | A | -0.4486 | |
| 169 | A | A | -0.0247 | |
| 170 | C | A | 0.6489 | |
| 171 | P | A | 0.4624 | |
| 172 | P | A | 0.6757 | |
| 173 | I | A | 1.8370 | |
| 174 | Q | A | 0.7389 | |
| 175 | L | A | 1.4232 | |
| 176 | V | A | 0.8018 | |
| 177 | N | A | -0.3717 | |
| 178 | S | A | -0.0097 | |
| 179 | V | A | 0.3668 | |
| 180 | I | A | 0.0000 | |
| 181 | E | A | 0.3637 | |
| 182 | D | A | 0.0680 | |
| 183 | G | A | -0.1568 | |
| 184 | D | A | -0.5667 | |
| 185 | M | A | 0.0000 | |
| 186 | C | A | 0.0000 | |
| 187 | D | A | 0.0000 | |
| 188 | I | A | 0.0000 | |
| 189 | G | A | 0.1661 | |
| 190 | F | A | 0.0592 | |
| 191 | G | A | -0.1061 | |
| 192 | N | A | -0.2828 | |
| 193 | M | A | -0.1585 | |
| 194 | N | A | 0.0000 | |
| 195 | F | A | 0.0000 | |
| 196 | K | A | -3.3506 | |
| 197 | E | A | -2.5113 | |
| 198 | L | A | -1.2213 | |
| 199 | Q | A | -2.5098 | |
| 200 | Q | A | -3.3203 | |
| 201 | D | A | -3.5961 | |
| 202 | R | A | -3.3297 | |
| 203 | S | A | 0.0000 | |
| 204 | G | A | 0.0000 | |
| 205 | V | A | 0.0000 | |
| 206 | P | A | 0.0000 | |
| 207 | L | A | 0.1912 | |
| 208 | D | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | V | A | -1.3801 | |
| 211 | S | A | -1.9035 | |
| 212 | T | A | -1.4590 | |
| 213 | R | A | -2.1461 | |
| 214 | C | A | 0.0000 | |
| 215 | K | A | 0.0000 | |
| 216 | W | A | -0.1783 | |
| 217 | P | A | 0.0000 | |
| 218 | D | A | 0.0000 | |
| 219 | F | A | 0.2557 | |
| 220 | L | A | 0.4457 | |
| 221 | K | A | -1.4270 | |
| 222 | M | A | 0.0000 | |
| 223 | T | A | -1.0063 | |
| 224 | N | A | -1.7403 | |
| 225 | E | A | -1.3573 | |
| 226 | A | A | -0.6719 | |
| 227 | Y | A | -0.4590 | |
| 228 | G | A | 0.0000 | |
| 229 | D | A | 0.0000 | |
| 230 | K | A | -0.7267 | |
| 231 | M | A | 0.0000 | |
| 232 | F | A | 0.0000 | |
| 233 | F | A | -0.1437 | |
| 234 | F | A | 0.0356 | |
| 235 | G | A | -0.9038 | |
| 236 | R | A | -2.6302 | |
| 237 | R | A | -2.8454 | |
| 238 | E | A | -2.0306 | |
| 239 | Q | A | -0.0553 | |
| 240 | V | A | 1.5715 | |
| 241 | Y | A | 1.2668 | |
| 242 | A | A | 0.1943 | |
| 243 | R | A | -1.2448 | |
| 244 | H | A | -1.1186 | |
| 245 | F | A | -0.1283 | |
| 246 | Y | A | 0.0000 | |
| 247 | R | A | 0.0000 | |
| 248 | R | A | -0.5216 | |
| 249 | A | A | -1.1607 | |
| 250 | G | A | -1.0110 | |
| 251 | P | A | -1.1428 | |
| 252 | E | A | -1.3149 | |
| 253 | G | A | -1.2512 | |
| 254 | H | A | -1.4464 | |
| 255 | P | A | -0.9755 | |
| 256 | L | A | 0.1800 | |
| 257 | P | A | 0.0127 | |
| 258 | A | A | 0.3053 | |
| 259 | A | A | 0.5315 | |
| 260 | P | A | -0.2224 | |
| 261 | P | A | -0.1741 | |
| 262 | P | A | 0.0495 | |
| 263 | S | A | 0.5544 | |
| 264 | P | A | 0.6909 | |
| 265 | L | A | 1.9376 | |
| 266 | Y | A | 1.7963 | |
| 267 | V | A | 2.0357 | |
| 268 | A | A | 1.0991 | |
| 269 | P | A | 0.5013 | |
| 270 | P | A | -0.0906 | |
| 271 | P | A | -0.3428 | |
| 272 | S | A | -0.2954 | |
| 273 | S | A | 0.0084 | |
| 274 | P | A | 0.0409 | |
| 275 | Y | A | 0.9708 | |
| 276 | A | A | 0.2890 | |
| 277 | T | A | 0.1571 | |
| 278 | P | A | 0.1800 | |
| 279 | P | A | -0.5842 | |
| 280 | S | A | 0.0000 | |
| 281 | T | A | -0.3476 | |
| 282 | D | A | -0.8381 | |
| 283 | Y | A | 0.9150 | |
| 284 | F | A | 0.7202 | |
| 285 | G | A | 0.1639 | |
| 286 | T | A | 0.0000 | |
| 287 | P | A | 0.0000 | |
| 288 | S | A | 0.0000 | |
| 289 | G | A | 0.0000 | |
| 290 | S | A | 0.8525 | |
| 291 | L | A | 1.4921 | |
| 292 | V | A | 0.4271 | |
| 293 | S | A | -0.1723 | |
| 294 | S | A | -1.0008 | |
| 295 | D | A | -1.8775 | |
| 296 | G | A | 0.0000 | |
| 297 | Q | A | -1.0460 | |
| 298 | L | A | -1.1764 | |
| 299 | F | A | 0.0000 | |
| 300 | N | A | -1.6421 | |
| 301 | R | A | -1.8898 | |
| 302 | P | A | -0.9647 | |
| 303 | F | A | -0.1858 | |
| 304 | W | A | -0.5196 | |
| 305 | L | A | 0.0000 | |
| 306 | Q | A | -2.0812 | |
| 307 | R | A | -2.9273 | |
| 308 | A | A | 0.0000 | |
| 309 | Q | A | -1.7837 | |
| 310 | G | A | -1.4317 | |
| 311 | N | A | -1.4003 | |
| 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 | -0.9736 | |
| 319 | N | A | -0.9016 | |
| 320 | E | A | -1.0578 | |
| 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 | -0.5984 | |
| 331 | N | A | 0.0000 | |
| 332 | T | A | -0.4980 | |
| 333 | N | A | 0.2830 | |
| 334 | F | A | 1.5074 | |
| 335 | T | A | 0.6877 | |
| 336 | I | A | 0.4123 | |
| 337 | S | A | -0.8628 | |
| 338 | Q | A | -1.4541 | |
| 339 | Q | A | -1.1131 | |
| 340 | I | A | 0.4475 | |
| 341 | S | A | -0.0098 | |
| 342 | T | A | -0.4010 | |
| 343 | P | A | -0.9751 | |
| 344 | K | A | -1.4900 | |
| 345 | V | A | 0.0976 | |
| 346 | N | A | -0.2897 | |
| 347 | V | A | 1.5855 | |
| 348 | Y | A | 1.4209 | |
| 349 | D | A | -0.3525 | |
| 350 | P | A | -1.3246 | |
| 351 | K | A | -1.9130 | |
| 352 | N | A | -0.9070 | |
| 353 | F | A | -1.0739 | |
| 354 | K | A | -2.1220 | |
| 355 | N | A | -1.6972 | |
| 356 | Y | A | 0.0393 | |
| 357 | L | A | 0.6822 | |
| 358 | R | A | 0.9631 | |
| 359 | H | A | 0.0000 | |
| 360 | V | A | 1.4707 | |
| 361 | E | A | 0.0000 | |
| 362 | Q | A | -0.0028 | |
| 363 | F | A | 0.0000 | |
| 364 | E | A | -1.8786 | |
| 365 | L | A | 0.0000 | |
| 366 | S | A | -0.6548 | |
| 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 | -0.3113 | |
| 374 | V | A | 0.0000 | |
| 375 | P | A | -1.3223 | |
| 376 | L | A | -1.7520 | |
| 377 | D | A | -2.0227 | |
| 378 | P | A | -1.0597 | |
| 379 | G | A | -1.0172 | |
| 380 | V | A | -0.9294 | |
| 381 | L | A | -0.5437 | |
| 382 | A | A | -0.6627 | |
| 383 | H | A | -0.8441 | |
| 384 | I | A | 0.0000 | |
| 385 | N | A | -1.4075 | |
| 386 | T | A | -0.5756 | |
| 387 | M | A | -0.3301 | |
| 388 | N | A | -0.8735 | |
| 389 | P | A | -1.3055 | |
| 390 | T | A | -1.6386 | |
| 391 | I | A | 0.0000 | |
| 392 | L | A | -1.6096 | |
| 393 | E | A | -3.0537 | |
| 394 | N | A | -2.8950 | |
| 395 | W | A | -1.6206 | |
| 396 | N | A | -1.2560 | |
| 397 | L | A | -0.2624 | |
| 398 | G | A | 0.5068 | |
| 399 | F | A | 2.4234 | |
| 400 | V | A | 1.8573 | |
| 401 | P | A | 0.0694 | |
| 402 | P | A | -1.9985 | |
| 403 | K | A | -3.5415 | |
| 404 | E | A | -4.0681 | |
| 405 | R | A | -4.6002 | |
| 406 | E | A | -4.0771 | |
| 407 | D | A | -2.9989 | |
| 408 | P | A | -1.8331 | |
| 409 | Y | A | -0.9922 | |
| 410 | K | A | -2.1019 | |
| 411 | G | A | -0.6401 | |
| 412 | L | A | 0.6512 | |
| 413 | I | A | 1.5651 | |
| 414 | F | A | 0.0000 | |
| 415 | W | A | -0.4214 | |
| 416 | E | A | -1.7166 | |
| 417 | V | A | 0.0000 | |
| 418 | D | A | -2.8594 | |
| 419 | L | A | 0.0000 | |
| 420 | T | A | -1.8951 | |
| 421 | E | A | -2.5013 | |
| 422 | R | A | -2.0639 | |
| 423 | F | A | -1.0259 | |
| 424 | S | A | -1.3326 | |
| 425 | Q | A | -1.8716 | |
| 426 | D | A | -2.9025 | |
| 427 | L | A | -1.9992 | |
| 428 | D | A | -2.7844 | |
| 429 | Q | A | -2.6162 | |
| 430 | F | A | -1.4448 | |
| 431 | A | A | -0.9008 | |
| 432 | L | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | R | A | -1.5769 | |
| 435 | K | A | -0.7299 | |
| 436 | F | A | 0.1507 | |
| 437 | L | A | 1.0337 | |
| 438 | Y | A | 0.8261 | |
| 439 | Q | A | -0.2691 |
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