| Chain sequence(s) |
A: YLPPTTPVAKVQSTDEYVYPTSLFCHAHTDRLLTVGHPFSDIVKNGKVVVPKVSGYQWRVFRLKFPDPNKFALPQKDFYDPEKERLVWRLRGLEIGRGGPLGKGSIGHPLFNKLGDTENPTAPQHETADVRVAFSFDPKQTQLFIVGCEPPTGEHWDIAEPCPGLPPGACPPIQLVNSVIEDGDMCDIGFGNMNFKELQQDRSGVPLDIVSTRCKWPDFLKMTNEAYGDKMFFFGRREQVYARHFYRRAGPDGVPLPADPPPSPLYVPPPPGSPTAVPPSTNYFGTPSGSLVSSDGQLFNRPFWLQRAQGNNNGVCWHNELFVTVVDNTRNTNFTISQQLCTPANNVYNPACFKNYLRHVEQFELSLIAQLCKVPLDPGVLAHINTMNPTILENWNLGFVPPKEREDPYKGLIFWEVDLTERFSQDLDQFALGRKFLYQ
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 | 1.9444 | |
| 2 | L | A | 1.9666 | |
| 3 | P | A | 0.6584 | |
| 4 | P | A | 0.3723 | |
| 5 | T | A | 0.1247 | |
| 6 | T | A | 0.1399 | |
| 7 | P | A | 0.1763 | |
| 8 | V | A | 1.2301 | |
| 9 | A | A | 0.0772 | |
| 10 | K | A | -1.0343 | |
| 11 | V | A | -0.1945 | |
| 12 | Q | A | -1.4214 | |
| 13 | S | A | -1.5515 | |
| 14 | T | A | 0.0000 | |
| 15 | D | A | -2.3880 | |
| 16 | E | A | -2.4235 | |
| 17 | Y | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | Y | A | 0.4646 | |
| 20 | P | A | 0.1093 | |
| 21 | T | A | 0.1090 | |
| 22 | S | A | -0.1720 | |
| 23 | L | A | 0.0000 | |
| 24 | F | A | -0.1135 | |
| 25 | C | A | 0.0000 | |
| 26 | H | A | 0.0000 | |
| 27 | A | A | 0.0000 | |
| 28 | H | A | -1.2913 | |
| 29 | T | A | 0.0000 | |
| 30 | D | A | -2.8972 | |
| 31 | R | A | -2.6812 | |
| 32 | L | A | -0.8001 | |
| 33 | L | A | 1.1615 | |
| 34 | T | A | 1.3737 | |
| 35 | V | A | 1.8407 | |
| 36 | G | A | 0.0000 | |
| 37 | H | A | 0.1869 | |
| 38 | P | A | 0.0000 | |
| 39 | F | A | 0.1168 | |
| 40 | S | A | -0.1248 | |
| 41 | D | A | -0.2188 | |
| 42 | I | A | 1.2793 | |
| 43 | V | A | 1.2424 | |
| 44 | K | A | -1.1619 | |
| 45 | N | A | -1.9251 | |
| 46 | G | A | -1.2128 | |
| 47 | K | A | -0.9624 | |
| 48 | V | A | 1.6163 | |
| 49 | V | A | 2.0420 | |
| 50 | V | A | 1.4717 | |
| 51 | P | A | 0.7316 | |
| 52 | K | A | -0.1004 | |
| 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 | -2.1726 | |
| 65 | F | A | 0.0000 | |
| 66 | P | A | 0.0000 | |
| 67 | D | A | -1.4163 | |
| 68 | P | A | 0.0000 | |
| 69 | N | A | -1.2759 | |
| 70 | K | A | -1.7948 | |
| 71 | F | A | -0.6426 | |
| 72 | A | A | -0.5648 | |
| 73 | L | A | -0.8673 | |
| 74 | P | A | -1.2801 | |
| 75 | Q | A | -2.4996 | |
| 76 | K | A | -3.1040 | |
| 77 | D | A | -2.9915 | |
| 78 | F | A | -1.6682 | |
| 79 | Y | A | -1.8909 | |
| 80 | D | A | -2.6925 | |
| 81 | P | A | -2.3066 | |
| 82 | E | A | -3.0508 | |
| 83 | K | A | -3.3998 | |
| 84 | E | A | -2.4639 | |
| 85 | R | A | -1.2965 | |
| 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 | -0.6636 | |
| 92 | G | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | E | A | -0.9636 | |
| 95 | I | A | 0.0000 | |
| 96 | G | A | -1.3525 | |
| 97 | R | A | 0.0000 | |
| 98 | G | A | -0.6953 | |
| 99 | G | A | -0.5410 | |
| 100 | P | A | -0.4061 | |
| 101 | L | A | 0.0390 | |
| 102 | G | A | -0.1804 | |
| 103 | K | A | -0.5602 | |
| 104 | G | A | -0.4612 | |
| 105 | S | A | -0.5333 | |
| 106 | I | A | 0.0000 | |
| 107 | G | A | 0.1045 | |
| 108 | H | A | 0.0000 | |
| 109 | P | A | 0.4004 | |
| 110 | L | A | 0.3721 | |
| 111 | F | A | 0.0000 | |
| 112 | N | A | -0.9661 | |
| 113 | K | A | -0.3859 | |
| 114 | L | A | -1.0915 | |
| 115 | G | A | 0.0000 | |
| 116 | D | A | -1.0726 | |
| 117 | T | A | -0.8374 | |
| 118 | E | A | -1.7528 | |
| 119 | N | A | -1.9555 | |
| 120 | P | A | -1.4567 | |
| 121 | T | A | -0.8103 | |
| 122 | A | A | -0.6529 | |
| 123 | P | A | -0.9944 | |
| 124 | Q | A | -1.5777 | |
| 125 | H | A | -2.0997 | |
| 126 | E | A | -2.5830 | |
| 127 | T | A | -1.7386 | |
| 128 | A | A | -1.2537 | |
| 129 | D | A | -2.0536 | |
| 130 | V | A | -1.3553 | |
| 131 | R | A | -0.7275 | |
| 132 | V | A | 0.4104 | |
| 133 | A | A | 0.4345 | |
| 134 | F | A | 0.2668 | |
| 135 | S | A | -0.1039 | |
| 136 | F | A | 0.0000 | |
| 137 | D | A | -0.4428 | |
| 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 | -0.5625 | |
| 150 | P | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | T | A | 0.0000 | |
| 153 | G | A | 0.0000 | |
| 154 | E | A | -0.2230 | |
| 155 | H | A | 0.0000 | |
| 156 | W | A | 1.1067 | |
| 157 | D | A | 0.3263 | |
| 158 | I | A | 0.8171 | |
| 159 | A | A | 0.1077 | |
| 160 | E | A | -1.4829 | |
| 161 | P | A | -0.2283 | |
| 162 | C | A | 0.1857 | |
| 163 | P | A | -0.1736 | |
| 164 | G | A | -0.0796 | |
| 165 | L | A | 0.5882 | |
| 166 | P | A | -0.1149 | |
| 167 | P | A | -0.3386 | |
| 168 | G | A | -0.4221 | |
| 169 | A | A | 0.2962 | |
| 170 | C | A | 1.1020 | |
| 171 | P | A | 0.5484 | |
| 172 | P | A | 0.7830 | |
| 173 | I | A | 2.0384 | |
| 174 | Q | A | 0.8316 | |
| 175 | L | A | 1.4334 | |
| 176 | V | A | 0.8251 | |
| 177 | N | A | -0.2949 | |
| 178 | S | A | 0.0123 | |
| 179 | V | A | 0.4171 | |
| 180 | I | A | 0.0000 | |
| 181 | E | A | 0.3839 | |
| 182 | D | A | 0.0873 | |
| 183 | G | A | -0.1540 | |
| 184 | D | A | -0.5514 | |
| 185 | M | A | 0.0000 | |
| 186 | C | A | 0.0000 | |
| 187 | D | A | 0.0000 | |
| 188 | I | A | 0.0000 | |
| 189 | G | A | 0.1193 | |
| 190 | F | A | 0.0550 | |
| 191 | G | A | -0.1056 | |
| 192 | N | A | -0.2794 | |
| 193 | M | A | -0.1510 | |
| 194 | N | A | 0.0000 | |
| 195 | F | A | 0.0000 | |
| 196 | K | A | -3.4026 | |
| 197 | E | A | -2.6182 | |
| 198 | L | A | -1.2138 | |
| 199 | Q | A | -2.5437 | |
| 200 | Q | A | -3.3101 | |
| 201 | D | A | -3.5705 | |
| 202 | R | A | -3.3366 | |
| 203 | S | A | 0.0000 | |
| 204 | G | A | 0.0000 | |
| 205 | V | A | 0.0000 | |
| 206 | P | A | 0.0000 | |
| 207 | L | A | 0.4213 | |
| 208 | D | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | V | A | -1.3733 | |
| 211 | S | A | -1.7392 | |
| 212 | T | A | -1.4767 | |
| 213 | R | A | -2.1599 | |
| 214 | C | A | 0.0000 | |
| 215 | K | A | 0.0000 | |
| 216 | W | A | -0.1678 | |
| 217 | P | A | 0.0000 | |
| 218 | D | A | 0.0000 | |
| 219 | F | A | 0.3679 | |
| 220 | L | A | 0.5945 | |
| 221 | K | A | -1.1346 | |
| 222 | M | A | 0.0000 | |
| 223 | T | A | -0.8196 | |
| 224 | N | A | -1.4992 | |
| 225 | E | A | -1.2368 | |
| 226 | A | A | -0.6087 | |
| 227 | Y | A | -0.3666 | |
| 228 | G | A | 0.0000 | |
| 229 | D | A | 0.0000 | |
| 230 | K | A | -0.6833 | |
| 231 | M | A | 0.0000 | |
| 232 | F | A | 0.0000 | |
| 233 | F | A | 0.0809 | |
| 234 | F | A | 0.2705 | |
| 235 | G | A | -0.8009 | |
| 236 | R | A | -2.5641 | |
| 237 | R | A | -2.7901 | |
| 238 | E | A | -2.0629 | |
| 239 | Q | A | -0.1441 | |
| 240 | V | A | 1.4800 | |
| 241 | Y | A | 1.2458 | |
| 242 | A | A | 0.4010 | |
| 243 | R | A | -0.5948 | |
| 244 | H | A | -0.7463 | |
| 245 | F | A | 0.1837 | |
| 246 | Y | A | 0.0000 | |
| 247 | R | A | 0.0000 | |
| 248 | R | A | -0.4278 | |
| 249 | A | A | -1.1570 | |
| 250 | G | A | -1.0266 | |
| 251 | P | A | -0.5499 | |
| 252 | D | A | -0.3388 | |
| 253 | G | A | 0.1155 | |
| 254 | V | A | 1.3702 | |
| 255 | P | A | 0.4338 | |
| 256 | L | A | 0.7913 | |
| 257 | P | A | 0.2588 | |
| 258 | A | A | -0.2602 | |
| 259 | D | A | -0.7369 | |
| 260 | P | A | -0.7502 | |
| 261 | P | A | -0.2477 | |
| 262 | P | A | -0.0951 | |
| 263 | S | A | 0.3243 | |
| 264 | P | A | 0.5587 | |
| 265 | L | A | 1.8126 | |
| 266 | Y | A | 1.7341 | |
| 267 | V | A | 1.8695 | |
| 268 | P | A | 0.8701 | |
| 269 | P | A | 0.3008 | |
| 270 | P | A | -0.3871 | |
| 271 | P | A | -0.6714 | |
| 272 | G | A | -0.5414 | |
| 273 | S | A | -0.2959 | |
| 274 | P | A | -0.2861 | |
| 275 | T | A | 0.1329 | |
| 276 | A | A | 0.4366 | |
| 277 | V | A | 1.5238 | |
| 278 | P | A | 0.6512 | |
| 279 | P | A | -0.4449 | |
| 280 | S | A | 0.0000 | |
| 281 | T | A | 0.0482 | |
| 282 | N | A | -0.2558 | |
| 283 | Y | A | 1.0743 | |
| 284 | F | A | 0.7729 | |
| 285 | G | A | 0.3247 | |
| 286 | T | A | 0.0000 | |
| 287 | P | A | 0.0000 | |
| 288 | S | A | 0.0000 | |
| 289 | G | A | 0.0000 | |
| 290 | S | A | 0.9857 | |
| 291 | L | A | 1.6331 | |
| 292 | V | A | 0.6489 | |
| 293 | S | A | -0.1618 | |
| 294 | S | A | -0.9648 | |
| 295 | D | A | -1.8421 | |
| 296 | G | A | 0.0000 | |
| 297 | Q | A | 0.0000 | |
| 298 | L | A | -1.0957 | |
| 299 | F | A | 0.0000 | |
| 300 | N | A | -1.6292 | |
| 301 | R | A | -1.8380 | |
| 302 | P | A | -0.9465 | |
| 303 | F | A | -0.1921 | |
| 304 | W | A | -0.5634 | |
| 305 | L | A | 0.0000 | |
| 306 | Q | A | -2.0848 | |
| 307 | R | A | -2.8269 | |
| 308 | A | A | 0.0000 | |
| 309 | Q | A | -1.2437 | |
| 310 | G | A | -1.2181 | |
| 311 | N | A | -1.2677 | |
| 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 | -0.8296 | |
| 319 | N | A | -0.9463 | |
| 320 | E | A | -1.0429 | |
| 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 | -0.3276 | |
| 331 | N | A | 0.0000 | |
| 332 | T | A | -0.0742 | |
| 333 | N | A | 0.5444 | |
| 334 | F | A | 1.7402 | |
| 335 | T | A | 0.8680 | |
| 336 | I | A | 0.4522 | |
| 337 | S | A | -0.8610 | |
| 338 | Q | A | -1.5683 | |
| 339 | Q | A | -1.1190 | |
| 340 | L | A | 0.6850 | |
| 341 | C | A | 0.3243 | |
| 342 | T | A | -0.0851 | |
| 343 | P | A | -0.6074 | |
| 344 | A | A | -0.4617 | |
| 345 | N | A | -1.0198 | |
| 346 | N | A | -0.8146 | |
| 347 | V | A | 1.1816 | |
| 348 | Y | A | 1.3153 | |
| 349 | N | A | 0.0642 | |
| 350 | P | A | -0.1158 | |
| 351 | A | A | 0.0679 | |
| 352 | C | A | 0.0000 | |
| 353 | F | A | -0.4602 | |
| 354 | K | A | -1.6750 | |
| 355 | N | A | -1.7193 | |
| 356 | Y | A | -0.1085 | |
| 357 | L | A | 0.6350 | |
| 358 | R | A | 0.9734 | |
| 359 | H | A | 0.0000 | |
| 360 | V | A | 1.3893 | |
| 361 | E | A | 0.0000 | |
| 362 | Q | A | -0.0742 | |
| 363 | F | A | 0.0000 | |
| 364 | E | A | -2.0404 | |
| 365 | L | A | 0.0000 | |
| 366 | S | A | -0.6862 | |
| 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 | -0.3077 | |
| 374 | V | A | 0.0000 | |
| 375 | P | A | -1.3198 | |
| 376 | L | A | -1.7166 | |
| 377 | D | A | -2.0040 | |
| 378 | P | A | -1.0427 | |
| 379 | G | A | -1.0188 | |
| 380 | V | A | -0.9386 | |
| 381 | L | A | -0.5343 | |
| 382 | A | A | -0.6586 | |
| 383 | H | A | -0.8139 | |
| 384 | I | A | 0.0000 | |
| 385 | N | A | -1.4115 | |
| 386 | T | A | -0.5543 | |
| 387 | M | A | -0.3002 | |
| 388 | N | A | -0.8591 | |
| 389 | P | A | -1.2472 | |
| 390 | T | A | -1.4549 | |
| 391 | I | A | 0.0000 | |
| 392 | L | A | -1.4583 | |
| 393 | E | A | -2.8033 | |
| 394 | N | A | -2.4270 | |
| 395 | W | A | -1.4029 | |
| 396 | N | A | -1.1537 | |
| 397 | L | A | -0.2095 | |
| 398 | G | A | 0.5063 | |
| 399 | F | A | 2.4081 | |
| 400 | V | A | 1.8141 | |
| 401 | P | A | 0.0316 | |
| 402 | P | A | -1.8760 | |
| 403 | K | A | -3.3327 | |
| 404 | E | A | -3.7900 | |
| 405 | R | A | -3.9472 | |
| 406 | E | A | -3.8068 | |
| 407 | D | A | -2.8870 | |
| 408 | P | A | -1.7721 | |
| 409 | Y | A | -0.9916 | |
| 410 | K | A | -2.1217 | |
| 411 | G | A | -0.6433 | |
| 412 | L | A | 0.6652 | |
| 413 | I | A | 1.5845 | |
| 414 | F | A | 0.0000 | |
| 415 | W | A | -0.3894 | |
| 416 | E | A | -1.6874 | |
| 417 | V | A | 0.0000 | |
| 418 | D | A | -2.9573 | |
| 419 | L | A | 0.0000 | |
| 420 | T | A | -2.0659 | |
| 421 | E | A | -2.7911 | |
| 422 | R | A | -2.6489 | |
| 423 | F | A | -1.2940 | |
| 424 | S | A | -1.4828 | |
| 425 | Q | A | -1.9218 | |
| 426 | D | A | -2.9071 | |
| 427 | L | A | -2.0030 | |
| 428 | D | A | -2.7821 | |
| 429 | Q | A | -2.6209 | |
| 430 | F | A | -1.4355 | |
| 431 | A | A | -0.9218 | |
| 432 | L | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | R | A | -1.6618 | |
| 435 | K | A | -0.7555 | |
| 436 | F | A | 0.1120 | |
| 437 | L | A | 0.9987 | |
| 438 | Y | A | 0.8029 | |
| 439 | Q | A | -0.2903 |
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