| Chain sequence(s) |
A: YLPPTTPVAKVQSTDEYVYPTSLFCHAHTDRLLTVGHPFFSVIDNDKVTVPKVSGNQYRVFRLKFPDPNKFALPQKDFYDPEKERLVWRLRGLEIGRGGPLGIGTTGHPLFNKLGDTENPNKYQQGSKDNRQNTSMDPKQTQLFIVGCEPPTGEHWDVAKPCGALEKGDCPPIQLVNSVIEDGDMCDIGFGNMNFKELQQDRSGVPLDIVSTRCKWPDFLKMTNEAYGDKMFFFGRREQVYARHFFTRNGSVGEPIPNSVSPSDFYYAPDSTQDQKTLAPSVYFGTPSGSLVSSDGQLFNRPFWLQRAQGNNNGVCWHNELFVTVVDNTRNTNFTISQQTNTPNPDTYDSTNFKNYLRHVEQFELSLIAQLCKVPLDPGVLAHINTMNPTILENWNLGFVPPKEREDPYKGLIFWEVDLTERFSQDLDQFALGRKFLYQ
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. (00:00:06)
|
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 | 1.9487 | |
| 2 | L | A | 1.9697 | |
| 3 | P | A | 0.6522 | |
| 4 | P | A | 0.3750 | |
| 5 | T | A | 0.1254 | |
| 6 | T | A | 0.1337 | |
| 7 | P | A | 0.1882 | |
| 8 | V | A | 1.2162 | |
| 9 | A | A | 0.0289 | |
| 10 | K | A | -1.1640 | |
| 11 | V | A | -0.4262 | |
| 12 | Q | A | -1.5536 | |
| 13 | S | A | -1.6070 | |
| 14 | T | A | 0.0000 | |
| 15 | D | A | -2.3893 | |
| 16 | E | A | -2.4277 | |
| 17 | Y | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | Y | A | 0.4584 | |
| 20 | P | A | 0.1130 | |
| 21 | T | A | 0.1142 | |
| 22 | S | A | -0.1687 | |
| 23 | L | A | 0.0000 | |
| 24 | F | A | -0.1154 | |
| 25 | C | A | 0.0000 | |
| 26 | H | A | 0.0000 | |
| 27 | A | A | 0.0000 | |
| 28 | H | A | -1.2825 | |
| 29 | T | A | 0.0000 | |
| 30 | D | A | -2.8752 | |
| 31 | R | A | -2.6446 | |
| 32 | L | A | -0.7735 | |
| 33 | L | A | 1.2108 | |
| 34 | T | A | 1.4612 | |
| 35 | V | A | 2.0147 | |
| 36 | G | A | 0.0000 | |
| 37 | H | A | 0.9688 | |
| 38 | P | A | 0.0000 | |
| 39 | F | A | 1.0106 | |
| 40 | F | A | 1.8052 | |
| 41 | S | A | 1.4034 | |
| 42 | V | A | 1.4820 | |
| 43 | I | A | 0.8964 | |
| 44 | D | A | -1.9595 | |
| 45 | N | A | -2.7762 | |
| 46 | D | A | -2.7405 | |
| 47 | K | A | -1.9569 | |
| 48 | V | A | 0.7810 | |
| 49 | T | A | 0.2680 | |
| 50 | V | A | 1.1666 | |
| 51 | P | A | 1.2284 | |
| 52 | K | A | 0.7442 | |
| 53 | V | A | 0.0000 | |
| 54 | S | A | 0.0000 | |
| 55 | G | A | 0.0000 | |
| 56 | N | A | 0.0000 | |
| 57 | Q | A | 0.0000 | |
| 58 | Y | 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 | -2.2108 | |
| 65 | F | A | 0.0000 | |
| 66 | P | A | 0.0000 | |
| 67 | D | A | -1.4122 | |
| 68 | P | A | 0.0000 | |
| 69 | N | A | -1.3231 | |
| 70 | K | A | -1.8295 | |
| 71 | F | A | -0.6790 | |
| 72 | A | A | -0.5713 | |
| 73 | L | A | -0.8569 | |
| 74 | P | A | -1.2500 | |
| 75 | Q | A | -2.4592 | |
| 76 | K | A | -3.0873 | |
| 77 | D | A | -2.9835 | |
| 78 | F | A | -1.6406 | |
| 79 | Y | A | -1.9100 | |
| 80 | D | A | -2.7338 | |
| 81 | P | A | -2.4357 | |
| 82 | E | A | -3.0640 | |
| 83 | K | A | -3.4328 | |
| 84 | E | A | -2.4923 | |
| 85 | R | A | -1.3149 | |
| 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 | -0.6760 | |
| 92 | G | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | E | A | -0.9798 | |
| 95 | I | A | 0.0000 | |
| 96 | G | A | -1.3399 | |
| 97 | R | A | 0.0000 | |
| 98 | G | A | -0.6748 | |
| 99 | G | A | -0.5350 | |
| 100 | P | A | -0.1188 | |
| 101 | L | A | 0.6079 | |
| 102 | G | A | 1.1899 | |
| 103 | I | A | 2.1750 | |
| 104 | G | A | 0.0000 | |
| 105 | T | A | 0.1954 | |
| 106 | T | A | 0.0000 | |
| 107 | G | A | -0.2144 | |
| 108 | H | A | 0.0000 | |
| 109 | P | A | -0.7042 | |
| 110 | L | A | -0.7683 | |
| 111 | F | A | 0.0000 | |
| 112 | N | A | -1.7844 | |
| 113 | K | A | -1.3212 | |
| 114 | L | A | 0.0000 | |
| 115 | G | A | -1.6927 | |
| 116 | D | A | -2.0343 | |
| 117 | T | A | -1.6911 | |
| 118 | E | A | -2.6362 | |
| 119 | N | A | -2.8862 | |
| 120 | P | A | -2.6970 | |
| 121 | N | A | -2.8060 | |
| 122 | K | A | -2.8385 | |
| 123 | Y | A | -1.6194 | |
| 124 | Q | A | -1.6888 | |
| 125 | Q | A | -1.3796 | |
| 126 | G | A | -1.7451 | |
| 127 | S | A | -2.2362 | |
| 128 | K | A | -3.0045 | |
| 129 | D | A | -3.2645 | |
| 130 | N | A | -2.4501 | |
| 131 | R | A | -2.3914 | |
| 132 | Q | A | -2.2425 | |
| 133 | N | A | -1.8617 | |
| 134 | T | A | -1.0998 | |
| 135 | S | A | -0.6780 | |
| 136 | M | A | 0.0000 | |
| 137 | D | A | -0.0367 | |
| 138 | P | A | 0.0000 | |
| 139 | K | A | 0.0000 | |
| 140 | Q | A | 0.1531 | |
| 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 | -0.5372 | |
| 150 | P | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | T | A | 0.0000 | |
| 153 | G | A | 0.0000 | |
| 154 | E | A | -0.2381 | |
| 155 | H | A | 0.0000 | |
| 156 | W | A | 1.0600 | |
| 157 | D | A | 0.1849 | |
| 158 | V | A | 0.7883 | |
| 159 | A | A | 0.1876 | |
| 160 | K | A | -1.3581 | |
| 161 | P | A | -0.2131 | |
| 162 | C | A | 0.1925 | |
| 163 | G | A | -0.2829 | |
| 164 | A | A | -0.2743 | |
| 165 | L | A | -0.6053 | |
| 166 | E | A | -2.6350 | |
| 167 | K | A | -2.8939 | |
| 168 | G | A | -2.2293 | |
| 169 | D | A | -2.3742 | |
| 170 | C | A | -0.4034 | |
| 171 | P | A | -0.2139 | |
| 172 | P | A | 0.7015 | |
| 173 | I | A | 1.9550 | |
| 174 | Q | A | 0.8063 | |
| 175 | L | A | 1.4233 | |
| 176 | V | A | 0.8065 | |
| 177 | N | A | -0.3293 | |
| 178 | S | A | 0.0216 | |
| 179 | V | A | 0.4356 | |
| 180 | I | A | 0.0000 | |
| 181 | E | A | 0.3712 | |
| 182 | D | A | 0.0545 | |
| 183 | G | A | -0.1659 | |
| 184 | D | A | -0.5835 | |
| 185 | M | A | 0.0000 | |
| 186 | C | A | 0.0000 | |
| 187 | D | A | 0.0000 | |
| 188 | I | A | 0.0000 | |
| 189 | G | A | 0.1355 | |
| 190 | F | A | 0.0477 | |
| 191 | G | A | -0.1081 | |
| 192 | N | A | -0.3121 | |
| 193 | M | A | -0.2471 | |
| 194 | N | A | 0.0000 | |
| 195 | F | A | 0.0000 | |
| 196 | K | A | -3.6204 | |
| 197 | E | A | -2.9705 | |
| 198 | L | A | -1.4111 | |
| 199 | Q | A | -2.6367 | |
| 200 | Q | A | -3.4399 | |
| 201 | D | A | -3.6457 | |
| 202 | R | A | -3.4281 | |
| 203 | S | A | 0.0000 | |
| 204 | G | A | 0.0000 | |
| 205 | V | A | 0.0000 | |
| 206 | P | A | 0.0000 | |
| 207 | L | A | 0.5354 | |
| 208 | D | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | V | A | -1.4752 | |
| 211 | S | A | -1.6675 | |
| 212 | T | A | -1.5887 | |
| 213 | R | A | -2.3353 | |
| 214 | C | A | 0.0000 | |
| 215 | K | A | 0.0000 | |
| 216 | W | A | -0.1872 | |
| 217 | P | A | 0.0000 | |
| 218 | D | A | 0.0000 | |
| 219 | F | A | 0.3253 | |
| 220 | L | A | 0.5234 | |
| 221 | K | A | -1.2527 | |
| 222 | M | A | 0.0000 | |
| 223 | T | A | -0.8730 | |
| 224 | N | A | -1.6412 | |
| 225 | E | A | -1.3041 | |
| 226 | A | A | -0.8109 | |
| 227 | Y | A | -0.3944 | |
| 228 | G | A | 0.0000 | |
| 229 | D | A | 0.0000 | |
| 230 | K | A | -0.6877 | |
| 231 | M | A | 0.0000 | |
| 232 | F | A | 0.0000 | |
| 233 | F | A | 0.1141 | |
| 234 | F | A | 0.3280 | |
| 235 | G | A | -0.7730 | |
| 236 | R | A | -2.5407 | |
| 237 | R | A | -2.7992 | |
| 238 | E | A | -2.0165 | |
| 239 | Q | A | -0.1387 | |
| 240 | V | A | 1.2938 | |
| 241 | Y | A | 1.1047 | |
| 242 | A | A | 0.0226 | |
| 243 | R | A | -1.5517 | |
| 244 | H | A | -1.4142 | |
| 245 | F | A | -0.3435 | |
| 246 | F | A | 0.0000 | |
| 247 | T | A | 0.0000 | |
| 248 | R | A | -0.0818 | |
| 249 | N | A | -1.1965 | |
| 250 | G | A | -1.1779 | |
| 251 | S | A | -0.6074 | |
| 252 | V | A | -0.1394 | |
| 253 | G | A | -1.2594 | |
| 254 | E | A | -1.8097 | |
| 255 | P | A | -0.8495 | |
| 256 | I | A | 0.2054 | |
| 257 | P | A | -0.3967 | |
| 258 | N | A | -0.3829 | |
| 259 | S | A | 0.3676 | |
| 260 | V | A | 1.0823 | |
| 261 | S | A | 0.4749 | |
| 262 | P | A | 0.0764 | |
| 263 | S | A | 0.1549 | |
| 264 | D | A | -0.6257 | |
| 265 | F | A | 1.3137 | |
| 266 | Y | A | 1.4321 | |
| 267 | Y | A | 1.3600 | |
| 268 | A | A | 0.2149 | |
| 269 | P | A | -1.6515 | |
| 270 | D | A | -3.0428 | |
| 271 | S | A | -2.5271 | |
| 272 | T | A | -2.1738 | |
| 273 | Q | A | -3.3670 | |
| 274 | D | A | -3.6339 | |
| 275 | Q | A | -2.8267 | |
| 276 | K | A | -3.2409 | |
| 277 | T | A | -1.4522 | |
| 278 | L | A | 0.2764 | |
| 279 | A | A | -0.0857 | |
| 280 | P | A | 0.5380 | |
| 281 | S | A | 0.9799 | |
| 282 | V | A | 1.4605 | |
| 283 | Y | A | 1.7484 | |
| 284 | F | A | 1.2287 | |
| 285 | G | A | -0.0290 | |
| 286 | T | A | 0.0000 | |
| 287 | P | A | 0.0000 | |
| 288 | S | A | 0.0000 | |
| 289 | G | A | 0.0000 | |
| 290 | S | A | 1.1517 | |
| 291 | L | A | 1.8515 | |
| 292 | V | A | 1.1016 | |
| 293 | S | A | -0.2074 | |
| 294 | S | A | -1.0091 | |
| 295 | D | A | -1.8832 | |
| 296 | G | A | 0.0000 | |
| 297 | Q | A | -1.0421 | |
| 298 | L | A | -1.1572 | |
| 299 | F | A | 0.0000 | |
| 300 | N | A | -1.6858 | |
| 301 | R | A | -1.9317 | |
| 302 | P | A | -0.9679 | |
| 303 | F | A | -0.1350 | |
| 304 | W | A | -0.5311 | |
| 305 | L | A | 0.0000 | |
| 306 | Q | A | -2.0922 | |
| 307 | R | A | -2.8323 | |
| 308 | A | A | 0.0000 | |
| 309 | Q | A | -1.3624 | |
| 310 | G | A | -1.2202 | |
| 311 | N | A | -1.3020 | |
| 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 | -0.9448 | |
| 319 | N | A | -0.9157 | |
| 320 | E | A | -1.0764 | |
| 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 | 0.3498 | |
| 331 | N | A | 0.0000 | |
| 332 | T | A | 0.8364 | |
| 333 | N | A | 0.9088 | |
| 334 | F | A | 1.5652 | |
| 335 | T | A | 0.8356 | |
| 336 | I | A | 0.3892 | |
| 337 | S | A | -1.2968 | |
| 338 | Q | A | -2.5190 | |
| 339 | Q | A | -2.7875 | |
| 340 | T | A | -1.9336 | |
| 341 | N | A | -2.0114 | |
| 342 | T | A | -1.2935 | |
| 343 | P | A | -1.6086 | |
| 344 | N | A | -2.0900 | |
| 345 | P | A | -1.6429 | |
| 346 | D | A | -2.1758 | |
| 347 | T | A | -1.0505 | |
| 348 | Y | A | 0.0507 | |
| 349 | D | A | -0.8866 | |
| 350 | S | A | -0.9012 | |
| 351 | T | A | -0.9278 | |
| 352 | N | A | -1.6643 | |
| 353 | F | A | -1.9629 | |
| 354 | K | A | -2.6862 | |
| 355 | N | A | -1.9033 | |
| 356 | Y | A | 0.0206 | |
| 357 | L | A | 0.7062 | |
| 358 | R | A | 0.9882 | |
| 359 | H | A | 0.0000 | |
| 360 | V | A | 1.4919 | |
| 361 | E | A | 0.0000 | |
| 362 | Q | A | -0.0175 | |
| 363 | F | A | 0.0000 | |
| 364 | E | A | -1.9519 | |
| 365 | L | A | 0.0000 | |
| 366 | S | A | -0.6679 | |
| 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 | -0.3405 | |
| 374 | V | A | 0.0000 | |
| 375 | P | A | -1.3293 | |
| 376 | L | A | -1.7582 | |
| 377 | D | A | -2.0414 | |
| 378 | P | A | -1.0649 | |
| 379 | G | A | -1.0218 | |
| 380 | V | A | -0.9387 | |
| 381 | L | A | -0.5379 | |
| 382 | A | A | -0.6622 | |
| 383 | H | A | -0.8587 | |
| 384 | I | A | 0.0000 | |
| 385 | N | A | -1.4157 | |
| 386 | T | A | -0.5839 | |
| 387 | M | A | -0.3321 | |
| 388 | N | A | -0.8697 | |
| 389 | P | A | -1.2841 | |
| 390 | T | A | -1.5791 | |
| 391 | I | A | 0.0000 | |
| 392 | L | A | -1.5964 | |
| 393 | E | A | -3.0273 | |
| 394 | N | A | -2.7246 | |
| 395 | W | A | -1.6395 | |
| 396 | N | A | -1.5995 | |
| 397 | L | A | -0.3439 | |
| 398 | G | A | 0.4451 | |
| 399 | F | A | 2.3873 | |
| 400 | V | A | 1.8087 | |
| 401 | P | A | 0.0218 | |
| 402 | P | A | -1.8957 | |
| 403 | K | A | -3.5638 | |
| 404 | E | A | -3.8924 | |
| 405 | R | A | -4.2133 | |
| 406 | E | A | -3.8875 | |
| 407 | D | A | -2.8851 | |
| 408 | P | A | -1.7729 | |
| 409 | Y | A | -0.9632 | |
| 410 | K | A | -2.0868 | |
| 411 | G | A | -0.6347 | |
| 412 | L | A | 0.6691 | |
| 413 | I | A | 1.5527 | |
| 414 | F | A | 0.0000 | |
| 415 | W | A | -0.4855 | |
| 416 | E | A | -1.8491 | |
| 417 | V | A | 0.0000 | |
| 418 | D | A | -2.9978 | |
| 419 | L | A | 0.0000 | |
| 420 | T | A | -2.0980 | |
| 421 | E | A | -2.8108 | |
| 422 | R | A | -2.6131 | |
| 423 | F | A | -1.3258 | |
| 424 | S | A | -1.4947 | |
| 425 | Q | A | -1.8315 | |
| 426 | D | A | -2.9060 | |
| 427 | L | A | -1.9873 | |
| 428 | D | A | -2.7549 | |
| 429 | Q | A | -2.5989 | |
| 430 | F | A | -1.3999 | |
| 431 | A | A | -0.8704 | |
| 432 | L | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | R | A | -1.5044 | |
| 435 | K | A | -0.6930 | |
| 436 | F | A | 0.1772 | |
| 437 | L | A | 1.0609 | |
| 438 | Y | A | 0.8506 | |
| 439 | Q | A | -0.2521 |
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