| Chain sequence(s) |
A: YLPPTTPVAKVQSTDEYVYPTSLFCHAHTDRLLTVGHPFKDIVKDGKVVVPKVSGWQWRVFRLKFPDPNKFALPQKDFYDPEKERLVWRLRGLEIGRGGPLGKGTVGHPLFNKLGDTENPTEPVHCGADDRVAFSYDPKQTQLFIVGCEPPTGEHWDLAEPCPGLPPGACPPIQLVNSVIEDGDMCDIGFGNMNFKELQQDRSGVPLDIVSTRCKWPDFLKMTNEAYGDKMFFFGRREQVYARHFYRRCGPDGHPLPAEPPPSPLYVPPPPGSPYAVLPPTDYFGTPSGSLVSSDGQLFNRPFWLQRAQGNNNGVCWHNELFVTVVDNTRNTNFTISQQLSTPEDNVYDPSNFKNYLRHVEQFELSLIAQLCKVPLDPGVLAHINTMNPTILENWNLGFVPPKEREDPYKGLIFWEVDLTERFSQDLDQFALGRKFLYQ
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. (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:00:01)
[INFO] Main: Simulation completed successfully. (00:00:07)
|
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 | 1.9425 | |
| 2 | L | A | 1.9631 | |
| 3 | P | A | 0.8344 | |
| 4 | P | A | 0.3825 | |
| 5 | T | A | 0.1253 | |
| 6 | T | A | 0.1336 | |
| 7 | P | A | 0.1937 | |
| 8 | V | A | 1.2156 | |
| 9 | A | A | 0.0845 | |
| 10 | K | A | -1.0316 | |
| 11 | V | A | -0.1757 | |
| 12 | Q | A | -1.4137 | |
| 13 | S | A | -1.5595 | |
| 14 | T | A | 0.0000 | |
| 15 | D | A | -2.4365 | |
| 16 | E | A | -2.4482 | |
| 17 | Y | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | Y | A | 0.4563 | |
| 20 | P | A | 0.1256 | |
| 21 | T | A | 0.1605 | |
| 22 | S | A | -0.0961 | |
| 23 | L | A | 0.0882 | |
| 24 | F | A | -0.0381 | |
| 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 | -2.8968 | |
| 31 | R | A | -2.6806 | |
| 32 | L | A | -0.8006 | |
| 33 | L | A | 1.1571 | |
| 34 | T | A | 1.3696 | |
| 35 | V | A | 1.8318 | |
| 36 | G | A | 0.0000 | |
| 37 | H | A | -0.1879 | |
| 38 | P | A | 0.0000 | |
| 39 | F | A | -0.6237 | |
| 40 | K | A | -1.6405 | |
| 41 | D | A | -0.9454 | |
| 42 | I | A | 0.8112 | |
| 43 | V | A | 0.8777 | |
| 44 | K | A | -1.4246 | |
| 45 | D | A | -2.4439 | |
| 46 | G | A | -1.4860 | |
| 47 | K | A | -1.1454 | |
| 48 | V | A | 1.3361 | |
| 49 | V | A | 1.9376 | |
| 50 | V | A | 1.2295 | |
| 51 | P | A | 0.4234 | |
| 52 | K | A | -0.6514 | |
| 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 | -2.1520 | |
| 65 | F | A | 0.0000 | |
| 66 | P | A | 0.0000 | |
| 67 | D | A | -1.3994 | |
| 68 | P | A | 0.0000 | |
| 69 | N | A | -1.2713 | |
| 70 | K | A | -1.7891 | |
| 71 | F | A | -0.6366 | |
| 72 | A | A | -0.5825 | |
| 73 | L | A | -0.8731 | |
| 74 | P | A | -1.2724 | |
| 75 | Q | A | -2.5046 | |
| 76 | K | A | -3.1078 | |
| 77 | D | A | -2.9932 | |
| 78 | F | A | -1.6673 | |
| 79 | Y | A | -1.8973 | |
| 80 | D | A | -2.6998 | |
| 81 | P | A | -2.3138 | |
| 82 | E | A | -3.0567 | |
| 83 | K | A | -3.3977 | |
| 84 | E | A | -2.4645 | |
| 85 | R | A | -1.2964 | |
| 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 | -0.6685 | |
| 92 | G | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | E | A | -0.9558 | |
| 95 | I | A | 0.0000 | |
| 96 | G | A | -1.3482 | |
| 97 | R | A | 0.0000 | |
| 98 | G | A | -0.6870 | |
| 99 | G | A | -0.5226 | |
| 100 | P | A | -0.3739 | |
| 101 | L | A | 0.1044 | |
| 102 | G | A | -0.1667 | |
| 103 | K | A | -0.5803 | |
| 104 | G | A | 0.0000 | |
| 105 | T | A | -0.4283 | |
| 106 | V | A | 0.0000 | |
| 107 | G | A | 0.1452 | |
| 108 | H | A | 0.0000 | |
| 109 | P | A | 0.4226 | |
| 110 | L | A | 0.1027 | |
| 111 | F | A | 0.0000 | |
| 112 | N | A | -1.1620 | |
| 113 | K | A | -0.5400 | |
| 114 | L | A | 0.0000 | |
| 115 | G | A | -1.1316 | |
| 116 | D | A | -1.5368 | |
| 117 | T | A | -0.9346 | |
| 118 | E | A | -1.9494 | |
| 119 | N | A | -2.2764 | |
| 120 | P | A | -1.9095 | |
| 121 | T | A | -1.5534 | |
| 122 | E | A | -2.1679 | |
| 123 | P | A | -0.7226 | |
| 124 | V | A | -0.2365 | |
| 125 | H | A | -0.2708 | |
| 126 | C | A | -0.6667 | |
| 127 | G | A | -1.1888 | |
| 128 | A | A | -1.2544 | |
| 129 | D | A | -2.2103 | |
| 130 | D | A | -1.7925 | |
| 131 | R | A | -1.1723 | |
| 132 | V | A | 0.2048 | |
| 133 | A | A | 0.4411 | |
| 134 | F | A | 0.2709 | |
| 135 | S | A | -0.0726 | |
| 136 | Y | A | 0.0000 | |
| 137 | D | A | -0.6580 | |
| 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 | -0.5603 | |
| 150 | P | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | T | A | 0.0000 | |
| 153 | G | A | 0.0000 | |
| 154 | E | A | -0.2102 | |
| 155 | H | A | 0.0000 | |
| 156 | W | A | 1.1383 | |
| 157 | D | A | 0.3013 | |
| 158 | L | A | 0.7839 | |
| 159 | A | A | 0.1768 | |
| 160 | E | A | -1.4497 | |
| 161 | P | A | -0.2023 | |
| 162 | C | A | 0.1848 | |
| 163 | P | A | -0.1774 | |
| 164 | G | A | -0.0918 | |
| 165 | L | A | 0.5621 | |
| 166 | P | A | -0.1308 | |
| 167 | P | A | -0.3469 | |
| 168 | G | A | -0.4285 | |
| 169 | A | A | -0.0330 | |
| 170 | C | A | 0.6580 | |
| 171 | P | A | 0.5244 | |
| 172 | P | A | 0.8555 | |
| 173 | I | A | 2.0198 | |
| 174 | Q | A | 0.8478 | |
| 175 | L | A | 1.4776 | |
| 176 | V | A | 0.8439 | |
| 177 | N | A | -0.3070 | |
| 178 | S | A | 0.0240 | |
| 179 | V | A | 0.4288 | |
| 180 | I | A | 0.0000 | |
| 181 | E | A | 0.3790 | |
| 182 | D | A | 0.0791 | |
| 183 | G | A | -0.1587 | |
| 184 | D | A | -0.5510 | |
| 185 | M | A | 0.0000 | |
| 186 | C | A | 0.0000 | |
| 187 | D | A | 0.0000 | |
| 188 | I | A | 0.0000 | |
| 189 | G | A | 0.1440 | |
| 190 | F | A | 0.0720 | |
| 191 | G | A | -0.0943 | |
| 192 | N | A | -0.2687 | |
| 193 | M | A | -0.1364 | |
| 194 | N | A | 0.0000 | |
| 195 | F | A | 0.0000 | |
| 196 | K | A | -3.4193 | |
| 197 | E | A | -2.6301 | |
| 198 | L | A | -1.2422 | |
| 199 | Q | A | -2.5688 | |
| 200 | Q | A | -3.3114 | |
| 201 | D | A | -3.4789 | |
| 202 | R | A | -3.3268 | |
| 203 | S | A | 0.0000 | |
| 204 | G | A | 0.0000 | |
| 205 | V | A | 0.0000 | |
| 206 | P | A | 0.0000 | |
| 207 | L | A | 0.2287 | |
| 208 | D | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | V | A | -1.3436 | |
| 211 | S | A | -1.8817 | |
| 212 | T | A | -1.4539 | |
| 213 | R | A | -2.1508 | |
| 214 | C | A | 0.0000 | |
| 215 | K | A | 0.0000 | |
| 216 | W | A | -0.1689 | |
| 217 | P | A | 0.0000 | |
| 218 | D | A | 0.0000 | |
| 219 | F | A | 0.3760 | |
| 220 | L | A | 0.6088 | |
| 221 | K | A | -1.1068 | |
| 222 | M | A | 0.0000 | |
| 223 | T | A | -0.8156 | |
| 224 | N | A | -1.4971 | |
| 225 | E | A | -1.2432 | |
| 226 | A | A | -0.6101 | |
| 227 | Y | A | -0.3736 | |
| 228 | G | A | 0.0000 | |
| 229 | D | A | 0.0000 | |
| 230 | K | A | -0.6761 | |
| 231 | M | A | 0.0000 | |
| 232 | F | A | 0.0000 | |
| 233 | F | A | 0.0791 | |
| 234 | F | A | 0.2607 | |
| 235 | G | A | -0.8087 | |
| 236 | R | A | -2.5942 | |
| 237 | R | A | -2.8513 | |
| 238 | E | A | -2.1459 | |
| 239 | Q | A | -0.1552 | |
| 240 | V | A | 1.4792 | |
| 241 | Y | A | 1.2617 | |
| 242 | A | A | 0.1957 | |
| 243 | R | A | -1.1587 | |
| 244 | H | A | -1.0503 | |
| 245 | F | A | -0.0739 | |
| 246 | Y | A | 0.0000 | |
| 247 | R | A | 0.0000 | |
| 248 | R | A | -0.6397 | |
| 249 | C | A | -0.9126 | |
| 250 | G | A | -0.9185 | |
| 251 | P | A | -0.9097 | |
| 252 | D | A | -1.3545 | |
| 253 | G | A | -1.2848 | |
| 254 | H | A | -1.4332 | |
| 255 | P | A | -0.8423 | |
| 256 | L | A | 0.3509 | |
| 257 | P | A | -0.0499 | |
| 258 | A | A | -0.1606 | |
| 259 | E | A | -0.5258 | |
| 260 | P | A | -0.6324 | |
| 261 | P | A | -0.1557 | |
| 262 | P | A | -0.0493 | |
| 263 | S | A | 0.3462 | |
| 264 | P | A | 0.5883 | |
| 265 | L | A | 1.8232 | |
| 266 | Y | A | 1.6836 | |
| 267 | V | A | 1.8338 | |
| 268 | P | A | 0.8999 | |
| 269 | P | A | 0.6858 | |
| 270 | P | A | -0.1880 | |
| 271 | P | A | -0.5012 | |
| 272 | G | A | -0.3275 | |
| 273 | S | A | 0.1541 | |
| 274 | P | A | 0.3294 | |
| 275 | Y | A | 1.6401 | |
| 276 | A | A | 1.2929 | |
| 277 | V | A | 2.2371 | |
| 278 | L | A | 1.7293 | |
| 279 | P | A | 0.6216 | |
| 280 | P | A | -0.2229 | |
| 281 | T | A | -0.4635 | |
| 282 | D | A | -1.0332 | |
| 283 | Y | A | 0.7605 | |
| 284 | F | A | 0.6528 | |
| 285 | G | A | 0.2085 | |
| 286 | T | A | 0.0000 | |
| 287 | P | A | 0.0000 | |
| 288 | S | A | 0.0000 | |
| 289 | G | A | 0.0000 | |
| 290 | S | A | 0.9372 | |
| 291 | L | A | 1.6216 | |
| 292 | V | A | 0.6541 | |
| 293 | S | A | -0.1485 | |
| 294 | S | A | -0.9531 | |
| 295 | D | A | -1.8434 | |
| 296 | G | A | 0.0000 | |
| 297 | Q | A | 0.0000 | |
| 298 | L | A | -1.0945 | |
| 299 | F | A | 0.0000 | |
| 300 | N | A | -1.6291 | |
| 301 | R | A | -1.8256 | |
| 302 | P | A | -0.9599 | |
| 303 | F | A | -0.1863 | |
| 304 | W | A | -0.5627 | |
| 305 | L | A | 0.0000 | |
| 306 | Q | A | -2.0863 | |
| 307 | R | A | -2.8338 | |
| 308 | A | A | 0.0000 | |
| 309 | Q | A | -1.2524 | |
| 310 | G | A | -1.2199 | |
| 311 | N | A | -1.2671 | |
| 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 | -0.8309 | |
| 319 | N | A | -0.9389 | |
| 320 | E | A | -1.0363 | |
| 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 | -0.3061 | |
| 331 | N | A | 0.0000 | |
| 332 | T | A | -0.0391 | |
| 333 | N | A | 0.6156 | |
| 334 | F | A | 1.8240 | |
| 335 | T | A | 0.9603 | |
| 336 | I | A | 0.4918 | |
| 337 | S | A | -1.0962 | |
| 338 | Q | A | -2.0283 | |
| 339 | Q | A | -1.9703 | |
| 340 | L | A | -0.1562 | |
| 341 | S | A | -0.5019 | |
| 342 | T | A | -1.1169 | |
| 343 | P | A | -1.7487 | |
| 344 | E | A | -2.8209 | |
| 345 | D | A | -2.6029 | |
| 346 | N | A | -1.5153 | |
| 347 | V | A | 0.6836 | |
| 348 | Y | A | 1.0324 | |
| 349 | D | A | -0.4936 | |
| 350 | P | A | -1.0189 | |
| 351 | S | A | -0.7610 | |
| 352 | N | A | -1.0602 | |
| 353 | F | A | -1.4050 | |
| 354 | K | A | -2.2239 | |
| 355 | N | A | -1.7812 | |
| 356 | Y | A | 0.0953 | |
| 357 | L | A | 0.7768 | |
| 358 | R | A | 1.0387 | |
| 359 | H | A | 0.0000 | |
| 360 | V | A | 1.3900 | |
| 361 | E | A | 0.0000 | |
| 362 | Q | A | -0.0796 | |
| 363 | F | A | 0.0000 | |
| 364 | E | A | -2.0377 | |
| 365 | L | A | 0.0000 | |
| 366 | S | A | -0.6855 | |
| 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 | -0.3035 | |
| 374 | V | A | 0.0000 | |
| 375 | P | A | -1.3125 | |
| 376 | L | A | -1.7121 | |
| 377 | D | A | -1.9803 | |
| 378 | P | A | -1.0338 | |
| 379 | G | A | -1.0094 | |
| 380 | V | A | -0.9260 | |
| 381 | L | A | -0.5239 | |
| 382 | A | A | -0.6502 | |
| 383 | H | A | -0.8015 | |
| 384 | I | A | 0.0000 | |
| 385 | N | A | -1.3975 | |
| 386 | T | A | -0.5474 | |
| 387 | M | A | -0.2990 | |
| 388 | N | A | -0.8619 | |
| 389 | P | A | -1.2406 | |
| 390 | T | A | -1.4562 | |
| 391 | I | A | 0.0000 | |
| 392 | L | A | -1.4742 | |
| 393 | E | A | -2.8200 | |
| 394 | N | A | -2.2642 | |
| 395 | W | A | -1.4429 | |
| 396 | N | A | -1.2522 | |
| 397 | L | A | -0.2751 | |
| 398 | G | A | 0.4626 | |
| 399 | F | A | 2.3899 | |
| 400 | V | A | 1.8092 | |
| 401 | P | A | 0.0311 | |
| 402 | P | A | -1.8807 | |
| 403 | K | A | -3.2404 | |
| 404 | E | A | -3.7941 | |
| 405 | R | A | -3.9502 | |
| 406 | E | A | -3.8130 | |
| 407 | D | A | -2.8886 | |
| 408 | P | A | -1.7770 | |
| 409 | Y | A | -0.9970 | |
| 410 | K | A | -2.1266 | |
| 411 | G | A | -0.6400 | |
| 412 | L | A | 0.6654 | |
| 413 | I | A | 1.5790 | |
| 414 | F | A | 0.0000 | |
| 415 | W | A | -0.4011 | |
| 416 | E | A | -1.7090 | |
| 417 | V | A | 0.0000 | |
| 418 | D | A | -2.9580 | |
| 419 | L | A | 0.0000 | |
| 420 | T | A | -2.0606 | |
| 421 | E | A | -2.7950 | |
| 422 | R | A | -2.6615 | |
| 423 | F | A | -1.2980 | |
| 424 | S | A | -1.4863 | |
| 425 | Q | A | -1.9034 | |
| 426 | D | A | -2.9080 | |
| 427 | L | A | -1.9920 | |
| 428 | D | A | -2.7669 | |
| 429 | Q | A | -2.6166 | |
| 430 | F | A | -1.4254 | |
| 431 | A | A | -0.9033 | |
| 432 | L | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | R | A | -1.6090 | |
| 435 | K | A | -0.7245 | |
| 436 | F | A | 0.1306 | |
| 437 | L | A | 1.0186 | |
| 438 | Y | A | 0.8183 | |
| 439 | Q | A | -0.2787 |
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