| Chain sequence(s) |
A: YLPPTTPVAKVQSTDEYVYPTSLFCHAHTDRLLTVGHPFKDIVKDGKVVVPKVSGYQWRVFRLKFPDPNKFALPQKDFYDPEKERLVWRLRGLEIGRGGPLGKGTVGHPLFNKLGDTENPTEPIHEGADDRVAFSWDPKQTQLFIVGCEPPTGEHWDIAEPCPGLPPGACPPIQLVNSVIEDGDMCDIGFGNMNFKELQQDRSGVPLDIVSTRCKWPDFLKMTNEAYGDKMFFFGRREQVYARHFYVRAGPEGHPLPDAPPPSPLYVRPPPGSPYAVRPSTDYFGTPSGSLVSSDGQLFNRPFWLQRAQGNNNGVCWHNELFVTVVDNTRNTNFTISQQLCTPENNVYDPSCFKNYLRHVEQFELSLIAQLCKVPLDPGVLAHINTMNPTILENWNLGFVPPKEREDPYKGLIFWEVDLTERFSQDLDQFALGRKFLYQ
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. (00:00:06)
|
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 | 1.9480 | |
| 2 | L | A | 1.9694 | |
| 3 | P | A | 0.6511 | |
| 4 | P | A | 0.3693 | |
| 5 | T | A | 0.1234 | |
| 6 | T | A | 0.1309 | |
| 7 | P | A | 0.1838 | |
| 8 | V | A | 1.2176 | |
| 9 | A | A | 0.0362 | |
| 10 | K | A | -1.1421 | |
| 11 | V | A | -0.3828 | |
| 12 | Q | A | -1.5031 | |
| 13 | S | A | -1.5958 | |
| 14 | T | A | 0.0000 | |
| 15 | D | A | -2.4346 | |
| 16 | E | A | -2.4410 | |
| 17 | Y | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | Y | A | 0.4535 | |
| 20 | P | A | 0.1066 | |
| 21 | T | A | 0.1171 | |
| 22 | S | A | -0.1691 | |
| 23 | L | A | 0.0000 | |
| 24 | F | A | -0.1032 | |
| 25 | C | A | 0.0000 | |
| 26 | H | A | 0.0000 | |
| 27 | A | A | 0.0000 | |
| 28 | H | A | -1.1428 | |
| 29 | T | A | 0.0000 | |
| 30 | D | A | -2.6609 | |
| 31 | R | A | -2.5667 | |
| 32 | L | A | -0.7295 | |
| 33 | L | A | 1.2348 | |
| 34 | T | A | 1.6358 | |
| 35 | V | A | 1.9824 | |
| 36 | G | A | 0.0000 | |
| 37 | H | A | -0.2192 | |
| 38 | P | A | 0.0000 | |
| 39 | F | A | -0.5902 | |
| 40 | K | A | -1.6078 | |
| 41 | D | A | -0.8848 | |
| 42 | I | A | 0.8385 | |
| 43 | V | A | 0.9040 | |
| 44 | K | A | -1.4353 | |
| 45 | D | A | -2.4430 | |
| 46 | G | A | -1.4848 | |
| 47 | K | A | -1.0964 | |
| 48 | V | A | 1.4286 | |
| 49 | V | A | 1.9992 | |
| 50 | V | A | 1.3027 | |
| 51 | P | A | 0.5006 | |
| 52 | K | A | -0.6057 | |
| 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 | -2.1604 | |
| 65 | F | A | 0.0000 | |
| 66 | P | A | 0.0000 | |
| 67 | D | A | -1.5036 | |
| 68 | P | A | 0.0000 | |
| 69 | N | A | -1.3091 | |
| 70 | K | A | -1.8193 | |
| 71 | F | A | -0.6748 | |
| 72 | A | A | -0.5757 | |
| 73 | L | A | -0.8620 | |
| 74 | P | A | -1.2612 | |
| 75 | Q | A | -2.4768 | |
| 76 | K | A | -3.0957 | |
| 77 | D | A | -2.9923 | |
| 78 | F | A | -1.6442 | |
| 79 | Y | A | -1.9274 | |
| 80 | D | A | -2.7663 | |
| 81 | P | A | -2.3574 | |
| 82 | E | A | -3.0758 | |
| 83 | K | A | -3.4432 | |
| 84 | E | A | -2.5028 | |
| 85 | R | A | -1.3176 | |
| 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 | -0.6314 | |
| 92 | G | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | E | A | -0.9877 | |
| 95 | I | A | 0.0000 | |
| 96 | G | A | -1.3711 | |
| 97 | R | A | 0.0000 | |
| 98 | G | A | -0.7393 | |
| 99 | G | A | -0.5496 | |
| 100 | P | A | -0.4333 | |
| 101 | L | A | -0.0217 | |
| 102 | G | A | -0.2479 | |
| 103 | K | A | -0.6734 | |
| 104 | G | A | 0.0000 | |
| 105 | T | A | -0.4510 | |
| 106 | V | A | 0.0000 | |
| 107 | G | A | 0.1695 | |
| 108 | H | A | 0.0000 | |
| 109 | P | A | 0.4477 | |
| 110 | L | A | 0.3333 | |
| 111 | F | A | 0.0000 | |
| 112 | N | A | -1.1076 | |
| 113 | K | A | -0.4359 | |
| 114 | L | A | -1.3118 | |
| 115 | G | A | -1.1427 | |
| 116 | D | A | -1.3162 | |
| 117 | T | A | -0.9972 | |
| 118 | E | A | -1.7926 | |
| 119 | N | A | -2.2068 | |
| 120 | P | A | -1.9273 | |
| 121 | T | A | -1.5929 | |
| 122 | E | A | -2.3302 | |
| 123 | P | A | -0.9552 | |
| 124 | I | A | -1.1257 | |
| 125 | H | A | -1.8724 | |
| 126 | E | A | -2.7776 | |
| 127 | G | A | -2.3011 | |
| 128 | A | A | -1.6288 | |
| 129 | D | A | -2.5275 | |
| 130 | D | A | -2.1694 | |
| 131 | R | A | -1.1407 | |
| 132 | V | A | 0.2292 | |
| 133 | A | A | 0.4620 | |
| 134 | F | A | 0.3110 | |
| 135 | S | A | -0.0567 | |
| 136 | W | A | 0.0000 | |
| 137 | D | A | -0.6701 | |
| 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 | -0.5514 | |
| 150 | P | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | T | A | 0.0000 | |
| 153 | G | A | 0.0000 | |
| 154 | E | A | -0.2375 | |
| 155 | H | A | 0.0000 | |
| 156 | W | A | 1.1136 | |
| 157 | D | A | 0.3638 | |
| 158 | I | A | 0.8624 | |
| 159 | A | A | 0.1195 | |
| 160 | E | A | -1.4764 | |
| 161 | P | A | -0.2519 | |
| 162 | C | A | 0.1719 | |
| 163 | P | A | -0.1747 | |
| 164 | G | A | -0.0812 | |
| 165 | L | A | 0.5792 | |
| 166 | P | A | -0.1103 | |
| 167 | P | A | -0.3402 | |
| 168 | G | A | -0.4181 | |
| 169 | A | A | -0.0208 | |
| 170 | C | A | 0.7519 | |
| 171 | P | A | 0.5522 | |
| 172 | P | A | 0.7867 | |
| 173 | I | A | 2.0422 | |
| 174 | Q | A | 0.8439 | |
| 175 | L | A | 1.4246 | |
| 176 | V | A | 0.8107 | |
| 177 | N | A | -0.3187 | |
| 178 | S | A | 0.0110 | |
| 179 | V | A | 0.4122 | |
| 180 | I | A | 0.0000 | |
| 181 | E | A | 0.3742 | |
| 182 | D | A | 0.0763 | |
| 183 | G | A | -0.1575 | |
| 184 | D | A | -0.5488 | |
| 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 | 0.0613 | |
| 191 | G | A | -0.1059 | |
| 192 | N | A | -0.2727 | |
| 193 | M | A | -0.1363 | |
| 194 | N | A | 0.0000 | |
| 195 | F | A | 0.0000 | |
| 196 | K | A | -3.3743 | |
| 197 | E | A | -2.5671 | |
| 198 | L | A | -1.1901 | |
| 199 | Q | A | -2.5228 | |
| 200 | Q | A | -3.3264 | |
| 201 | D | A | -3.5952 | |
| 202 | R | A | -3.3266 | |
| 203 | S | A | 0.0000 | |
| 204 | G | A | 0.0000 | |
| 205 | V | A | 0.0000 | |
| 206 | P | A | 0.0000 | |
| 207 | L | A | 0.2221 | |
| 208 | D | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | V | A | -1.3659 | |
| 211 | S | A | -1.8880 | |
| 212 | T | A | -1.4452 | |
| 213 | R | A | -2.0990 | |
| 214 | C | A | 0.0000 | |
| 215 | K | A | 0.0000 | |
| 216 | W | A | -0.1628 | |
| 217 | P | A | 0.0000 | |
| 218 | D | A | 0.0000 | |
| 219 | F | A | 0.3040 | |
| 220 | L | A | 0.5092 | |
| 221 | K | A | -1.2886 | |
| 222 | M | A | 0.0000 | |
| 223 | T | A | -0.9553 | |
| 224 | N | A | -1.5668 | |
| 225 | E | A | -1.3132 | |
| 226 | A | A | -0.6692 | |
| 227 | Y | A | -0.4565 | |
| 228 | G | A | 0.0000 | |
| 229 | D | A | 0.0000 | |
| 230 | K | A | -0.7050 | |
| 231 | M | A | 0.0000 | |
| 232 | F | A | 0.0000 | |
| 233 | F | A | -0.1329 | |
| 234 | F | A | 0.0406 | |
| 235 | G | A | -0.8763 | |
| 236 | R | A | -2.5716 | |
| 237 | R | A | -2.7284 | |
| 238 | E | A | -1.9770 | |
| 239 | Q | A | -0.0391 | |
| 240 | V | A | 1.5816 | |
| 241 | Y | A | 1.2643 | |
| 242 | A | A | 0.2029 | |
| 243 | R | A | -1.1531 | |
| 244 | H | A | -0.9438 | |
| 245 | F | A | 0.0857 | |
| 246 | Y | A | 0.0000 | |
| 247 | V | A | 0.0000 | |
| 248 | R | A | -0.8810 | |
| 249 | A | A | -1.4686 | |
| 250 | G | A | -1.1970 | |
| 251 | P | A | -1.1554 | |
| 252 | E | A | -1.4326 | |
| 253 | G | A | -1.3124 | |
| 254 | H | A | -1.5020 | |
| 255 | P | A | -1.3241 | |
| 256 | L | A | -0.4462 | |
| 257 | P | A | -0.8871 | |
| 258 | D | A | -2.1262 | |
| 259 | A | A | -0.9428 | |
| 260 | P | A | -0.9495 | |
| 261 | P | A | -0.7205 | |
| 262 | P | A | -0.1778 | |
| 263 | S | A | 0.0202 | |
| 264 | P | A | 0.7139 | |
| 265 | L | A | 1.7092 | |
| 266 | Y | A | 1.1247 | |
| 267 | V | A | 1.0761 | |
| 268 | R | A | -1.0235 | |
| 269 | P | A | -0.3067 | |
| 270 | P | A | -0.5978 | |
| 271 | P | A | -0.7269 | |
| 272 | G | A | -0.3117 | |
| 273 | S | A | 0.0287 | |
| 274 | P | A | 0.1825 | |
| 275 | Y | A | 1.0912 | |
| 276 | A | A | 0.7148 | |
| 277 | V | A | 1.3427 | |
| 278 | R | A | 0.1007 | |
| 279 | P | A | -0.6233 | |
| 280 | S | A | 0.0000 | |
| 281 | T | A | -0.5313 | |
| 282 | D | A | -0.9266 | |
| 283 | Y | A | 0.8462 | |
| 284 | F | A | 0.7124 | |
| 285 | G | A | 0.2414 | |
| 286 | T | A | 0.0000 | |
| 287 | P | A | 0.0000 | |
| 288 | S | A | 0.0000 | |
| 289 | G | A | 0.0000 | |
| 290 | S | A | 0.9642 | |
| 291 | L | A | 1.6482 | |
| 292 | V | A | 0.6395 | |
| 293 | S | A | -0.1597 | |
| 294 | S | A | -1.0014 | |
| 295 | D | A | -1.8732 | |
| 296 | G | A | 0.0000 | |
| 297 | Q | A | -1.0381 | |
| 298 | L | A | -1.1666 | |
| 299 | F | A | 0.0000 | |
| 300 | N | A | -1.6903 | |
| 301 | R | A | -1.9639 | |
| 302 | P | A | -1.0011 | |
| 303 | F | A | -0.1998 | |
| 304 | W | A | -0.5215 | |
| 305 | L | A | 0.0000 | |
| 306 | Q | A | -2.0771 | |
| 307 | R | A | -2.9262 | |
| 308 | A | A | 0.0000 | |
| 309 | Q | A | -1.6605 | |
| 310 | G | A | -1.4267 | |
| 311 | N | A | -1.3924 | |
| 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 | -0.9613 | |
| 319 | N | A | -1.0275 | |
| 320 | E | A | -1.0636 | |
| 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 | -0.3567 | |
| 331 | N | A | 0.0000 | |
| 332 | T | A | -0.1588 | |
| 333 | N | A | 0.4158 | |
| 334 | F | A | 1.4636 | |
| 335 | T | A | 0.7324 | |
| 336 | I | A | 0.3836 | |
| 337 | S | A | -0.9819 | |
| 338 | Q | A | -1.7314 | |
| 339 | Q | A | -1.2837 | |
| 340 | L | A | 0.6647 | |
| 341 | C | A | 0.2765 | |
| 342 | T | A | -0.3095 | |
| 343 | P | A | -0.8898 | |
| 344 | E | A | -2.2587 | |
| 345 | N | A | -2.0620 | |
| 346 | N | A | -1.4075 | |
| 347 | V | A | 0.6216 | |
| 348 | Y | A | 0.9776 | |
| 349 | D | A | -0.1973 | |
| 350 | P | A | -0.4092 | |
| 351 | S | A | -0.3229 | |
| 352 | C | A | 0.0000 | |
| 353 | F | A | -0.7628 | |
| 354 | K | A | -1.7630 | |
| 355 | N | A | -1.7593 | |
| 356 | Y | A | -0.1104 | |
| 357 | L | A | 0.5673 | |
| 358 | R | A | 0.9030 | |
| 359 | H | A | 0.0000 | |
| 360 | V | A | 1.4655 | |
| 361 | E | A | 0.0000 | |
| 362 | Q | A | -0.0085 | |
| 363 | F | A | 0.0000 | |
| 364 | E | A | -1.8845 | |
| 365 | L | A | 0.0000 | |
| 366 | S | A | -0.6573 | |
| 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 | -0.3093 | |
| 374 | V | A | 0.0000 | |
| 375 | P | A | -1.3257 | |
| 376 | L | A | -1.7579 | |
| 377 | D | A | -2.0442 | |
| 378 | P | A | -1.0678 | |
| 379 | G | A | -1.0222 | |
| 380 | V | A | -0.9310 | |
| 381 | L | A | -0.5423 | |
| 382 | A | A | -0.6629 | |
| 383 | H | A | -0.8477 | |
| 384 | I | A | 0.0000 | |
| 385 | N | A | -1.4085 | |
| 386 | T | A | -0.5758 | |
| 387 | M | A | -0.3322 | |
| 388 | N | A | -0.8728 | |
| 389 | P | A | -1.2882 | |
| 390 | T | A | -1.6103 | |
| 391 | I | A | 0.0000 | |
| 392 | L | A | -1.5911 | |
| 393 | E | A | -3.0322 | |
| 394 | N | A | -2.8546 | |
| 395 | W | A | -1.6158 | |
| 396 | N | A | -1.3110 | |
| 397 | L | A | -0.3116 | |
| 398 | G | A | 0.4877 | |
| 399 | F | A | 2.4070 | |
| 400 | V | A | 1.8344 | |
| 401 | P | A | 0.0509 | |
| 402 | P | A | -1.9427 | |
| 403 | K | A | -3.5264 | |
| 404 | E | A | -4.0514 | |
| 405 | R | A | -4.5425 | |
| 406 | E | A | -4.0513 | |
| 407 | D | A | -2.9866 | |
| 408 | P | A | -1.8306 | |
| 409 | Y | A | -0.9872 | |
| 410 | K | A | -2.0992 | |
| 411 | G | A | -0.6354 | |
| 412 | L | A | 0.6638 | |
| 413 | I | A | 1.5751 | |
| 414 | F | A | 0.0000 | |
| 415 | W | A | -0.4148 | |
| 416 | E | A | -1.7028 | |
| 417 | V | A | 0.0000 | |
| 418 | D | A | -2.8656 | |
| 419 | L | A | 0.0000 | |
| 420 | T | A | -1.9097 | |
| 421 | E | A | -2.5122 | |
| 422 | R | A | -2.0104 | |
| 423 | F | A | -1.0307 | |
| 424 | S | A | -1.3303 | |
| 425 | Q | A | -1.7983 | |
| 426 | D | A | -2.9212 | |
| 427 | L | A | -2.0383 | |
| 428 | D | A | -2.8601 | |
| 429 | Q | A | -2.6514 | |
| 430 | F | A | -1.4792 | |
| 431 | A | A | -0.9295 | |
| 432 | L | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | R | A | -1.6305 | |
| 435 | K | A | -0.7598 | |
| 436 | F | A | 0.1288 | |
| 437 | L | A | 1.0092 | |
| 438 | Y | A | 0.8097 | |
| 439 | Q | A | -0.2754 |
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