| Chain sequence(s) |
A: YLPPTTPVAKVQSTDEYVYPTSLFCHAHTDRLLTVGHPFSDVVVDGKVLVPKVSGYQWRVFRLKFPDPNKFALPQKDFYDPEKERLVWRLRGLEIGRGGPLGKGTVGHPLFNKFGDTENPTEYQHETADVRVNFSFDPKQTQLFIVGCEPPTGEHWDIAEPCPGLPPGACPPIQLVNSVIEDGDMCDIGFGNMNFKELQQDRSGVPLDIVSTRCKWPDFLKMTNEAYGDKMFFFGRREQVYARHFYRRAGPDGVPLPDDPPPSPLYVEPPPDSPYAVRPSYNYFGTPSGSLVSSDGQLFNRPFWLQRAQGNNNGVCWHNELFVTVVDNTRNTNFTISQQLSTPADNVYDPANFKNYLRHVEQFELSLIAQLCKVPLDPGVLAHINTMNPTILENWNLGFVPPKEREDPYKGLIFWEVDLTERFSQDLDQFALGRKFLYQ
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 | 1.9436 | |
| 2 | L | A | 1.9645 | |
| 3 | P | A | 0.8280 | |
| 4 | P | A | 0.3712 | |
| 5 | T | A | 0.1224 | |
| 6 | T | A | 0.1305 | |
| 7 | P | A | 0.1965 | |
| 8 | V | A | 1.2125 | |
| 9 | A | A | 0.0893 | |
| 10 | K | A | -1.0288 | |
| 11 | V | A | -0.1692 | |
| 12 | Q | A | -1.4061 | |
| 13 | S | A | -1.5610 | |
| 14 | T | A | 0.0000 | |
| 15 | D | A | -2.4499 | |
| 16 | E | A | -2.4522 | |
| 17 | Y | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | Y | A | 0.4547 | |
| 20 | P | A | 0.1018 | |
| 21 | T | A | 0.1295 | |
| 22 | S | A | -0.1712 | |
| 23 | L | A | 0.0000 | |
| 24 | F | A | -0.1073 | |
| 25 | C | A | 0.0000 | |
| 26 | H | A | 0.0000 | |
| 27 | A | A | 0.0000 | |
| 28 | H | A | -1.3143 | |
| 29 | T | A | 0.0000 | |
| 30 | D | A | -2.9130 | |
| 31 | R | A | -2.6932 | |
| 32 | L | A | -0.8076 | |
| 33 | L | A | 1.1513 | |
| 34 | T | A | 1.3576 | |
| 35 | V | A | 1.7971 | |
| 36 | G | A | 0.0000 | |
| 37 | H | A | 0.1773 | |
| 38 | P | A | 0.0000 | |
| 39 | F | A | 0.1003 | |
| 40 | S | A | -0.1540 | |
| 41 | D | A | 0.0310 | |
| 42 | V | A | 1.7097 | |
| 43 | V | A | 2.3834 | |
| 44 | V | A | 1.5265 | |
| 45 | D | A | -0.9899 | |
| 46 | G | A | -0.5631 | |
| 47 | K | A | -0.2365 | |
| 48 | V | A | 2.1194 | |
| 49 | L | A | 2.4838 | |
| 50 | V | A | 1.6591 | |
| 51 | P | A | 0.6138 | |
| 52 | K | A | -0.1577 | |
| 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 | -2.1486 | |
| 65 | F | A | 0.0000 | |
| 66 | P | A | 0.0000 | |
| 67 | D | A | -1.3953 | |
| 68 | P | A | 0.0000 | |
| 69 | N | A | -1.2696 | |
| 70 | K | A | -1.7921 | |
| 71 | F | A | -0.6436 | |
| 72 | A | A | -0.5783 | |
| 73 | L | A | -0.8795 | |
| 74 | P | A | -1.2852 | |
| 75 | Q | A | -2.4970 | |
| 76 | K | A | -3.1014 | |
| 77 | D | A | -2.9840 | |
| 78 | F | A | -1.6606 | |
| 79 | Y | A | -1.8746 | |
| 80 | D | A | -2.6715 | |
| 81 | P | A | -2.2970 | |
| 82 | E | A | -3.0402 | |
| 83 | K | A | -3.3950 | |
| 84 | E | A | -2.4542 | |
| 85 | R | A | -1.2847 | |
| 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 | -0.6388 | |
| 92 | G | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | E | A | -0.9696 | |
| 95 | I | A | 0.0000 | |
| 96 | G | A | -1.3590 | |
| 97 | R | A | 0.0000 | |
| 98 | G | A | -0.7029 | |
| 99 | G | A | -0.5447 | |
| 100 | P | A | -0.4056 | |
| 101 | L | A | 0.0407 | |
| 102 | G | A | -0.1620 | |
| 103 | K | A | -0.5055 | |
| 104 | G | A | 0.0000 | |
| 105 | T | A | -0.4193 | |
| 106 | V | A | 0.0000 | |
| 107 | G | A | -0.1089 | |
| 108 | H | A | 0.0000 | |
| 109 | P | A | -0.1325 | |
| 110 | L | A | -0.1015 | |
| 111 | F | A | 0.0000 | |
| 112 | N | A | -1.1386 | |
| 113 | K | A | -0.3522 | |
| 114 | F | A | 0.0000 | |
| 115 | G | A | -1.0761 | |
| 116 | D | A | -1.4950 | |
| 117 | T | A | -0.9878 | |
| 118 | E | A | -1.6456 | |
| 119 | N | A | -2.1197 | |
| 120 | P | A | -1.9007 | |
| 121 | T | A | -1.5475 | |
| 122 | E | A | -2.1508 | |
| 123 | Y | A | -0.5516 | |
| 124 | Q | A | -1.3141 | |
| 125 | H | A | -1.0844 | |
| 126 | E | A | -1.4800 | |
| 127 | T | A | -1.0671 | |
| 128 | A | A | -1.0685 | |
| 129 | D | A | -1.8444 | |
| 130 | V | A | -1.0186 | |
| 131 | R | A | -0.9713 | |
| 132 | V | A | -0.2258 | |
| 133 | N | A | -0.8598 | |
| 134 | F | A | -0.3680 | |
| 135 | S | A | -0.3734 | |
| 136 | F | A | 0.0000 | |
| 137 | D | A | -0.5389 | |
| 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 | -0.5583 | |
| 150 | P | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | T | A | 0.0000 | |
| 153 | G | A | 0.0000 | |
| 154 | E | A | -0.2145 | |
| 155 | H | A | 0.0000 | |
| 156 | W | A | 1.1215 | |
| 157 | D | A | 0.3590 | |
| 158 | I | A | 0.8527 | |
| 159 | A | A | 0.1250 | |
| 160 | E | A | -1.4732 | |
| 161 | P | A | -0.2270 | |
| 162 | C | A | 0.1862 | |
| 163 | P | A | -0.1738 | |
| 164 | G | A | -0.0811 | |
| 165 | L | A | 0.5883 | |
| 166 | P | A | -0.1150 | |
| 167 | P | A | -0.3397 | |
| 168 | G | A | -0.4266 | |
| 169 | A | A | 0.3105 | |
| 170 | C | A | 1.1153 | |
| 171 | P | A | 0.5607 | |
| 172 | P | A | 0.8572 | |
| 173 | I | A | 2.0530 | |
| 174 | Q | A | 0.8499 | |
| 175 | L | A | 1.4302 | |
| 176 | V | A | 0.8331 | |
| 177 | N | A | -0.2947 | |
| 178 | S | A | -0.0928 | |
| 179 | V | A | 0.4212 | |
| 180 | I | A | 0.0000 | |
| 181 | E | A | 0.3938 | |
| 182 | D | A | 0.0912 | |
| 183 | G | A | -0.1510 | |
| 184 | D | A | -0.5344 | |
| 185 | M | A | 0.0000 | |
| 186 | C | A | 0.0000 | |
| 187 | D | A | 0.0000 | |
| 188 | I | A | 0.0000 | |
| 189 | G | A | 0.1416 | |
| 190 | F | A | 0.0679 | |
| 191 | G | A | -0.1011 | |
| 192 | N | A | -0.2728 | |
| 193 | M | A | -0.1380 | |
| 194 | N | A | 0.0000 | |
| 195 | F | A | 0.0000 | |
| 196 | K | A | -3.3802 | |
| 197 | E | A | -2.6014 | |
| 198 | L | A | -1.2026 | |
| 199 | Q | A | -2.5267 | |
| 200 | Q | A | -3.2799 | |
| 201 | D | A | -3.4248 | |
| 202 | R | A | -3.2952 | |
| 203 | S | A | 0.0000 | |
| 204 | G | A | 0.0000 | |
| 205 | V | A | 0.0000 | |
| 206 | P | A | 0.0000 | |
| 207 | L | A | 0.4363 | |
| 208 | D | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | V | A | -1.3626 | |
| 211 | S | A | -1.7330 | |
| 212 | T | A | -1.4588 | |
| 213 | R | A | -2.1090 | |
| 214 | C | A | 0.0000 | |
| 215 | K | A | 0.0000 | |
| 216 | W | A | -0.1562 | |
| 217 | P | A | 0.0000 | |
| 218 | D | A | 0.0000 | |
| 219 | F | A | 0.3241 | |
| 220 | L | A | 0.5819 | |
| 221 | K | A | -1.1552 | |
| 222 | M | A | 0.0000 | |
| 223 | T | A | -0.8276 | |
| 224 | N | A | -1.5085 | |
| 225 | E | A | -1.2445 | |
| 226 | A | A | -0.6034 | |
| 227 | Y | A | -0.3618 | |
| 228 | G | A | 0.0000 | |
| 229 | D | A | 0.0000 | |
| 230 | K | A | -0.6684 | |
| 231 | M | A | 0.0000 | |
| 232 | F | A | 0.0000 | |
| 233 | F | A | 0.0721 | |
| 234 | F | A | 0.2597 | |
| 235 | G | A | -0.8267 | |
| 236 | R | A | -2.6294 | |
| 237 | R | A | -2.9235 | |
| 238 | E | A | -2.2125 | |
| 239 | Q | A | -0.2131 | |
| 240 | V | A | 1.4098 | |
| 241 | Y | A | 1.2262 | |
| 242 | A | A | 0.1624 | |
| 243 | R | A | -1.1985 | |
| 244 | H | A | -0.9942 | |
| 245 | F | A | 0.0472 | |
| 246 | Y | A | 0.0000 | |
| 247 | R | A | 0.0000 | |
| 248 | R | A | -0.3707 | |
| 249 | A | A | -0.9211 | |
| 250 | G | A | -0.8535 | |
| 251 | P | A | -0.6812 | |
| 252 | D | A | -0.3986 | |
| 253 | G | A | 0.0860 | |
| 254 | V | A | 1.3616 | |
| 255 | P | A | 0.0257 | |
| 256 | L | A | -0.0838 | |
| 257 | P | A | -0.7723 | |
| 258 | D | A | -2.2315 | |
| 259 | D | A | -2.0892 | |
| 260 | P | A | -1.6703 | |
| 261 | P | A | -1.0327 | |
| 262 | P | A | -0.7411 | |
| 263 | S | A | -0.4463 | |
| 264 | P | A | 0.4544 | |
| 265 | L | A | 1.4564 | |
| 266 | Y | A | 1.1139 | |
| 267 | V | A | 1.3187 | |
| 268 | E | A | -0.5288 | |
| 269 | P | A | -0.3517 | |
| 270 | P | A | -0.9480 | |
| 271 | P | A | -1.1185 | |
| 272 | D | A | -1.6860 | |
| 273 | S | A | -0.5150 | |
| 274 | P | A | 0.0840 | |
| 275 | Y | A | 0.7995 | |
| 276 | A | A | 0.2932 | |
| 277 | V | A | 1.2171 | |
| 278 | R | A | 0.0915 | |
| 279 | P | A | -0.3310 | |
| 280 | S | A | 0.0000 | |
| 281 | Y | A | 0.3226 | |
| 282 | N | A | 0.0732 | |
| 283 | Y | A | 1.1721 | |
| 284 | F | A | 0.8472 | |
| 285 | G | A | 0.2294 | |
| 286 | T | A | 0.0000 | |
| 287 | P | A | 0.0000 | |
| 288 | S | A | 0.0000 | |
| 289 | G | A | 0.0000 | |
| 290 | S | A | 0.8793 | |
| 291 | L | A | 1.6098 | |
| 292 | V | A | 0.6416 | |
| 293 | S | A | -0.1663 | |
| 294 | S | A | -0.9656 | |
| 295 | D | A | -1.8427 | |
| 296 | G | A | 0.0000 | |
| 297 | Q | A | 0.0000 | |
| 298 | L | A | -1.1049 | |
| 299 | F | A | 0.0000 | |
| 300 | N | A | -1.6252 | |
| 301 | R | A | -1.8414 | |
| 302 | P | A | -0.9799 | |
| 303 | F | A | -0.1883 | |
| 304 | W | A | -0.5612 | |
| 305 | L | A | 0.0000 | |
| 306 | Q | A | -2.0796 | |
| 307 | R | A | -2.8334 | |
| 308 | A | A | 0.0000 | |
| 309 | Q | A | -1.2524 | |
| 310 | G | A | -1.2176 | |
| 311 | N | A | -1.2679 | |
| 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 | -0.7944 | |
| 319 | N | A | -0.9245 | |
| 320 | E | A | -1.0310 | |
| 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 | -0.3177 | |
| 331 | N | A | 0.0000 | |
| 332 | T | A | -0.0280 | |
| 333 | N | A | 0.6060 | |
| 334 | F | A | 1.8093 | |
| 335 | T | A | 0.9534 | |
| 336 | I | A | 0.4821 | |
| 337 | S | A | -1.1122 | |
| 338 | Q | A | -2.0554 | |
| 339 | Q | A | -1.9663 | |
| 340 | L | A | -0.1612 | |
| 341 | S | A | -0.2559 | |
| 342 | T | A | -0.6549 | |
| 343 | P | A | -0.8021 | |
| 344 | A | A | -0.9212 | |
| 345 | D | A | -1.6175 | |
| 346 | N | A | -1.1056 | |
| 347 | V | A | 0.9516 | |
| 348 | Y | A | 1.0600 | |
| 349 | D | A | -0.2776 | |
| 350 | P | A | -0.9253 | |
| 351 | A | A | -0.5218 | |
| 352 | N | A | -0.9492 | |
| 353 | F | A | -1.3707 | |
| 354 | K | A | -2.2339 | |
| 355 | N | A | -1.8083 | |
| 356 | Y | A | 0.0802 | |
| 357 | L | A | 0.7623 | |
| 358 | R | A | 1.0157 | |
| 359 | H | A | 0.0000 | |
| 360 | V | A | 1.3729 | |
| 361 | E | A | 0.0000 | |
| 362 | Q | A | -0.0862 | |
| 363 | F | A | 0.0000 | |
| 364 | E | A | -2.0695 | |
| 365 | L | A | 0.0000 | |
| 366 | S | A | -0.6937 | |
| 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 | -0.3028 | |
| 374 | V | A | 0.0000 | |
| 375 | P | A | -1.3211 | |
| 376 | L | A | -1.7253 | |
| 377 | D | A | -2.0324 | |
| 378 | P | A | -1.0568 | |
| 379 | G | A | -1.0211 | |
| 380 | V | A | -0.9411 | |
| 381 | L | A | -0.5389 | |
| 382 | A | A | -0.6576 | |
| 383 | H | A | -0.8062 | |
| 384 | I | A | 0.0000 | |
| 385 | N | A | -1.3967 | |
| 386 | T | A | -0.5442 | |
| 387 | M | A | -0.2920 | |
| 388 | N | A | -0.8544 | |
| 389 | P | A | -1.2303 | |
| 390 | T | A | -1.4088 | |
| 391 | I | A | 0.0000 | |
| 392 | L | A | -1.3961 | |
| 393 | E | A | -2.7326 | |
| 394 | N | A | -2.4939 | |
| 395 | W | A | -1.3078 | |
| 396 | N | A | -1.2121 | |
| 397 | L | A | -0.1790 | |
| 398 | G | A | 0.5570 | |
| 399 | F | A | 2.4246 | |
| 400 | V | A | 1.8432 | |
| 401 | P | A | 0.0573 | |
| 402 | P | A | -1.7530 | |
| 403 | K | A | -3.3969 | |
| 404 | E | A | -3.8180 | |
| 405 | R | A | -3.8350 | |
| 406 | E | A | -3.7531 | |
| 407 | D | A | -2.8831 | |
| 408 | P | A | -1.7675 | |
| 409 | Y | A | -0.9899 | |
| 410 | K | A | -2.1148 | |
| 411 | G | A | -0.6376 | |
| 412 | L | A | 0.6843 | |
| 413 | I | A | 1.5955 | |
| 414 | F | A | 0.0000 | |
| 415 | W | A | -0.3879 | |
| 416 | E | A | -1.6829 | |
| 417 | V | A | 0.0000 | |
| 418 | D | A | -2.9579 | |
| 419 | L | A | 0.0000 | |
| 420 | T | A | -2.0741 | |
| 421 | E | A | -2.8134 | |
| 422 | R | A | -2.6297 | |
| 423 | F | A | -1.3103 | |
| 424 | S | A | -1.4894 | |
| 425 | Q | A | -1.7954 | |
| 426 | D | A | -2.9718 | |
| 427 | L | A | -2.1550 | |
| 428 | D | A | -3.0095 | |
| 429 | Q | A | -2.7459 | |
| 430 | F | A | -1.5971 | |
| 431 | A | A | -1.1192 | |
| 432 | L | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | R | A | -2.2203 | |
| 435 | K | A | -1.0591 | |
| 436 | F | A | -0.0790 | |
| 437 | L | A | 0.8068 | |
| 438 | Y | A | 0.6480 | |
| 439 | Q | A | -0.3798 |
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