| Chain sequence(s) |
A: YLPPTTPVAKVQSTDEYVYPTSLFCHAHTDRLLTVGHPFKDIVVNGKVLVPKVSGYQWRVFRLKFPDPNKFALPQKDFYDPEKERLVWRLRGLEIGRGGPLGKGSVGHPLFNKLGDTENPTEYQHETADVRVPFSFDPKQTQLFIVGCEPPTGEHWDIAEPCPGLPPGACPPIQLVNSVIEDGDMCDIGFGNMNFKELQQDRSGVPLDIVSTRCKWPDFLKMTNEAYGDKMFFFGRREQVYARHFHRRAGPEGHPLPNEPPPSPLYVPPPPTSPYAVRPSTDYFGTPSGSLVSSDGQLFNRPFWLQRAQGNNNGVCWHNELFVTVVDNTRNTNFTISQQLCTPEENVYDPSCFKNYLRHVEQFELSLIAQLCKVPLDPGVLAHINTMNPTILENWNLGFVPPKEREDPYKGLIFWEVDLTERFSQDLDQFALGRKFLYQ
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. (00:00:07)
|
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 | 1.8899 | |
| 2 | L | A | 1.8249 | |
| 3 | P | A | 0.5300 | |
| 4 | P | A | 0.1740 | |
| 5 | T | A | -0.0266 | |
| 6 | T | A | -0.0655 | |
| 7 | P | A | 0.2675 | |
| 8 | V | A | 1.1902 | |
| 9 | A | A | -0.0314 | |
| 10 | K | A | -1.1369 | |
| 11 | V | A | -0.4357 | |
| 12 | Q | A | -1.5453 | |
| 13 | S | A | -1.6095 | |
| 14 | T | A | 0.0000 | |
| 15 | D | A | -2.4179 | |
| 16 | E | A | -2.4403 | |
| 17 | Y | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | Y | A | 0.4618 | |
| 20 | P | A | 0.1083 | |
| 21 | T | A | 0.1148 | |
| 22 | S | A | -0.1726 | |
| 23 | L | A | 0.0000 | |
| 24 | F | A | -0.1167 | |
| 25 | C | A | 0.0000 | |
| 26 | H | A | 0.0000 | |
| 27 | A | A | 0.0000 | |
| 28 | H | A | -1.1400 | |
| 29 | T | A | 0.0000 | |
| 30 | D | A | -2.6785 | |
| 31 | R | A | -2.5744 | |
| 32 | L | A | -0.7305 | |
| 33 | L | A | 1.2339 | |
| 34 | T | A | 1.4639 | |
| 35 | V | A | 2.0038 | |
| 36 | G | A | 0.0000 | |
| 37 | H | A | -0.2599 | |
| 38 | P | A | 0.0000 | |
| 39 | F | A | -0.6322 | |
| 40 | K | A | -1.8693 | |
| 41 | D | A | -0.7529 | |
| 42 | I | A | 1.2463 | |
| 43 | V | A | 2.2273 | |
| 44 | V | A | 1.6761 | |
| 45 | N | A | -0.5155 | |
| 46 | G | A | -0.3571 | |
| 47 | K | A | -0.1186 | |
| 48 | V | A | 2.2083 | |
| 49 | L | A | 2.5439 | |
| 50 | V | A | 1.4781 | |
| 51 | P | A | 0.3637 | |
| 52 | K | A | -0.6812 | |
| 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 | -2.1290 | |
| 65 | F | A | 0.0000 | |
| 66 | P | A | 0.0000 | |
| 67 | D | A | -1.4792 | |
| 68 | P | A | 0.0000 | |
| 69 | N | A | -1.2988 | |
| 70 | K | A | -1.8126 | |
| 71 | F | A | -0.6690 | |
| 72 | A | A | -0.5738 | |
| 73 | L | A | -0.8562 | |
| 74 | P | A | -1.2583 | |
| 75 | Q | A | -2.4749 | |
| 76 | K | A | -3.0923 | |
| 77 | D | A | -2.9825 | |
| 78 | F | A | -1.6339 | |
| 79 | Y | A | -1.9087 | |
| 80 | D | A | -2.7529 | |
| 81 | P | A | -2.4168 | |
| 82 | E | A | -3.0751 | |
| 83 | K | A | -3.4477 | |
| 84 | E | A | -2.5132 | |
| 85 | R | A | -1.3201 | |
| 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 | -0.6808 | |
| 92 | G | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | E | A | -1.0079 | |
| 95 | I | A | 0.0000 | |
| 96 | G | A | -1.3394 | |
| 97 | R | A | 0.0000 | |
| 98 | G | A | -0.6770 | |
| 99 | G | A | -0.5406 | |
| 100 | P | A | -0.4265 | |
| 101 | L | A | -0.0062 | |
| 102 | G | A | -0.2414 | |
| 103 | K | A | -0.7004 | |
| 104 | G | A | -0.5792 | |
| 105 | S | A | -0.5948 | |
| 106 | V | A | 0.0000 | |
| 107 | G | A | 0.0640 | |
| 108 | H | A | 0.0000 | |
| 109 | P | A | 0.2643 | |
| 110 | L | A | 0.2734 | |
| 111 | F | A | 0.0000 | |
| 112 | N | A | -1.0592 | |
| 113 | K | A | -0.3758 | |
| 114 | L | A | 0.0000 | |
| 115 | G | A | 0.0000 | |
| 116 | D | A | -1.4939 | |
| 117 | T | A | -1.1202 | |
| 118 | E | A | -1.9170 | |
| 119 | N | A | -2.2778 | |
| 120 | P | A | -1.9909 | |
| 121 | T | A | -1.6428 | |
| 122 | E | A | -2.3065 | |
| 123 | Y | A | -1.0971 | |
| 124 | Q | A | -1.9393 | |
| 125 | H | A | -1.8455 | |
| 126 | E | A | -2.3216 | |
| 127 | T | A | -1.7022 | |
| 128 | A | A | -1.2169 | |
| 129 | D | A | -2.0311 | |
| 130 | V | A | -1.3857 | |
| 131 | R | A | -0.8996 | |
| 132 | V | A | 0.1253 | |
| 133 | P | A | 0.0859 | |
| 134 | F | A | 0.0986 | |
| 135 | S | A | -0.1841 | |
| 136 | F | A | 0.0000 | |
| 137 | D | A | -0.6077 | |
| 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 | -0.5662 | |
| 150 | P | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | T | A | 0.0000 | |
| 153 | G | A | 0.0000 | |
| 154 | E | A | -0.2461 | |
| 155 | H | A | 0.0000 | |
| 156 | W | A | 1.0951 | |
| 157 | D | A | 0.2677 | |
| 158 | I | A | 0.8247 | |
| 159 | A | A | 0.1015 | |
| 160 | E | A | -1.4862 | |
| 161 | P | A | -0.2659 | |
| 162 | C | A | 0.1618 | |
| 163 | P | A | -0.1833 | |
| 164 | G | A | -0.0935 | |
| 165 | L | A | 0.5587 | |
| 166 | P | A | -0.1272 | |
| 167 | P | A | -0.3482 | |
| 168 | G | A | -0.4196 | |
| 169 | A | A | -0.0198 | |
| 170 | C | A | 0.7447 | |
| 171 | P | A | 0.5320 | |
| 172 | P | A | 0.6802 | |
| 173 | I | A | 2.0260 | |
| 174 | Q | A | 0.8342 | |
| 175 | L | A | 1.4311 | |
| 176 | V | A | 0.8129 | |
| 177 | N | A | -0.3381 | |
| 178 | S | A | 0.0219 | |
| 179 | V | A | 0.4294 | |
| 180 | I | A | 0.0000 | |
| 181 | E | A | 0.3762 | |
| 182 | D | A | 0.0854 | |
| 183 | G | A | -0.1575 | |
| 184 | D | A | -0.5655 | |
| 185 | M | A | 0.0000 | |
| 186 | C | A | 0.0000 | |
| 187 | D | A | 0.0000 | |
| 188 | I | A | 0.0000 | |
| 189 | G | A | 0.1520 | |
| 190 | F | A | 0.0601 | |
| 191 | G | A | -0.1055 | |
| 192 | N | A | -0.2853 | |
| 193 | M | A | -0.1610 | |
| 194 | N | A | 0.0000 | |
| 195 | F | A | 0.0000 | |
| 196 | K | A | -3.4033 | |
| 197 | E | A | -2.6127 | |
| 198 | L | A | -1.2123 | |
| 199 | Q | A | -2.5263 | |
| 200 | Q | A | -3.3345 | |
| 201 | D | A | -3.5984 | |
| 202 | R | A | -3.3353 | |
| 203 | S | A | 0.0000 | |
| 204 | G | A | 0.0000 | |
| 205 | V | A | 0.0000 | |
| 206 | P | A | 0.0000 | |
| 207 | L | A | 0.2077 | |
| 208 | D | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | V | A | -1.3784 | |
| 211 | S | A | -1.9063 | |
| 212 | T | A | -1.4840 | |
| 213 | R | A | -2.1768 | |
| 214 | C | A | 0.0000 | |
| 215 | K | A | 0.0000 | |
| 216 | W | A | -0.1774 | |
| 217 | P | A | 0.0000 | |
| 218 | D | A | 0.0000 | |
| 219 | F | A | 0.3195 | |
| 220 | L | A | 0.5106 | |
| 221 | K | A | -1.2835 | |
| 222 | M | A | 0.0000 | |
| 223 | T | A | -0.8763 | |
| 224 | N | A | -1.6447 | |
| 225 | E | A | -1.3119 | |
| 226 | A | A | -0.6735 | |
| 227 | Y | A | -0.4085 | |
| 228 | G | A | 0.0000 | |
| 229 | D | A | 0.0000 | |
| 230 | K | A | -0.7007 | |
| 231 | M | A | 0.0000 | |
| 232 | F | A | 0.0000 | |
| 233 | F | A | 0.1026 | |
| 234 | F | A | 0.2905 | |
| 235 | G | A | -0.8236 | |
| 236 | R | A | -2.6256 | |
| 237 | R | A | -2.9321 | |
| 238 | E | A | -2.0798 | |
| 239 | Q | A | -0.0986 | |
| 240 | V | A | 1.5420 | |
| 241 | Y | A | 1.2512 | |
| 242 | A | A | 0.1704 | |
| 243 | R | A | -1.2436 | |
| 244 | H | A | -1.0792 | |
| 245 | F | A | 0.0343 | |
| 246 | H | A | 0.0000 | |
| 247 | R | A | 0.0000 | |
| 248 | R | A | -0.5496 | |
| 249 | A | A | -1.2337 | |
| 250 | G | A | -1.0641 | |
| 251 | P | A | -1.1198 | |
| 252 | E | A | -1.3541 | |
| 253 | G | A | -1.2678 | |
| 254 | H | A | -1.4402 | |
| 255 | P | A | -1.2128 | |
| 256 | L | A | -0.2940 | |
| 257 | P | A | -0.8310 | |
| 258 | N | A | -1.4244 | |
| 259 | E | A | -1.3779 | |
| 260 | P | A | -1.0228 | |
| 261 | P | A | -0.3877 | |
| 262 | P | A | -0.1388 | |
| 263 | S | A | 0.0538 | |
| 264 | P | A | 0.5303 | |
| 265 | L | A | 1.6015 | |
| 266 | Y | A | 1.4221 | |
| 267 | V | A | 1.6273 | |
| 268 | P | A | 0.4817 | |
| 269 | P | A | 0.5742 | |
| 270 | P | A | -0.0929 | |
| 271 | P | A | -0.0538 | |
| 272 | T | A | 0.0139 | |
| 273 | S | A | 0.3212 | |
| 274 | P | A | 0.4876 | |
| 275 | Y | A | 1.2784 | |
| 276 | A | A | 1.0388 | |
| 277 | V | A | 1.4528 | |
| 278 | R | A | 0.4784 | |
| 279 | P | A | -0.4669 | |
| 280 | S | A | 0.0000 | |
| 281 | T | A | -0.4145 | |
| 282 | D | A | -0.7914 | |
| 283 | Y | A | 0.9428 | |
| 284 | F | A | 0.7300 | |
| 285 | G | A | 0.2204 | |
| 286 | T | A | 0.0000 | |
| 287 | P | A | 0.0000 | |
| 288 | S | A | 0.0000 | |
| 289 | G | A | 0.0000 | |
| 290 | S | A | 0.9640 | |
| 291 | L | A | 1.6576 | |
| 292 | V | A | 0.6579 | |
| 293 | S | A | -0.1683 | |
| 294 | S | A | -1.0029 | |
| 295 | D | A | -1.8728 | |
| 296 | G | A | 0.0000 | |
| 297 | Q | A | -1.0784 | |
| 298 | L | A | -1.2253 | |
| 299 | F | A | 0.0000 | |
| 300 | N | A | -1.7348 | |
| 301 | R | A | -2.0614 | |
| 302 | P | A | -1.0708 | |
| 303 | F | A | -0.2085 | |
| 304 | W | A | -0.5465 | |
| 305 | L | A | 0.0000 | |
| 306 | Q | A | -2.0886 | |
| 307 | R | A | -2.8293 | |
| 308 | A | A | 0.0000 | |
| 309 | Q | A | -1.3549 | |
| 310 | G | A | -1.2125 | |
| 311 | N | A | -1.3192 | |
| 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 | -0.9182 | |
| 319 | N | A | -0.8914 | |
| 320 | E | A | -1.0591 | |
| 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 | -0.3528 | |
| 331 | N | A | 0.0000 | |
| 332 | T | A | -0.1909 | |
| 333 | N | A | 0.3682 | |
| 334 | F | A | 1.4268 | |
| 335 | T | A | 0.7260 | |
| 336 | I | A | 0.3905 | |
| 337 | S | A | -0.9608 | |
| 338 | Q | A | -1.7102 | |
| 339 | Q | A | -1.2542 | |
| 340 | L | A | 0.6905 | |
| 341 | C | A | 0.3272 | |
| 342 | T | A | -0.4867 | |
| 343 | P | A | -0.9789 | |
| 344 | E | A | -2.3465 | |
| 345 | E | A | -2.6158 | |
| 346 | N | A | -1.5325 | |
| 347 | V | A | 0.4329 | |
| 348 | Y | A | 0.8903 | |
| 349 | D | A | -0.1053 | |
| 350 | P | A | -0.3605 | |
| 351 | S | A | -0.2923 | |
| 352 | C | A | 0.0000 | |
| 353 | F | A | -0.7438 | |
| 354 | K | A | -1.7549 | |
| 355 | N | A | -1.7484 | |
| 356 | Y | A | -0.1109 | |
| 357 | L | A | 0.5590 | |
| 358 | R | A | 0.8935 | |
| 359 | H | A | 0.0000 | |
| 360 | V | A | 1.4639 | |
| 361 | E | A | 0.0000 | |
| 362 | Q | A | -0.0063 | |
| 363 | F | A | 0.0000 | |
| 364 | E | A | -1.8910 | |
| 365 | L | A | 0.0000 | |
| 366 | S | A | -0.6592 | |
| 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 | -0.3090 | |
| 374 | V | A | 0.0000 | |
| 375 | P | A | -1.3435 | |
| 376 | L | A | -1.7923 | |
| 377 | D | A | -2.0789 | |
| 378 | P | A | -0.9098 | |
| 379 | G | A | -0.8976 | |
| 380 | V | A | -0.9274 | |
| 381 | L | A | -0.2775 | |
| 382 | A | A | -0.0253 | |
| 383 | H | A | -0.6082 | |
| 384 | I | A | 0.0000 | |
| 385 | N | A | -0.4303 | |
| 386 | T | A | -0.0485 | |
| 387 | M | A | -0.1408 | |
| 388 | N | A | -0.6603 | |
| 389 | P | A | -1.0230 | |
| 390 | T | A | -1.4209 | |
| 391 | I | A | 0.0000 | |
| 392 | L | A | -1.4002 | |
| 393 | E | A | -2.8348 | |
| 394 | N | A | -2.6682 | |
| 395 | W | A | -1.4973 | |
| 396 | N | A | -1.3014 | |
| 397 | L | A | -0.1784 | |
| 398 | G | A | 0.5495 | |
| 399 | F | A | 2.4378 | |
| 400 | V | A | 1.8653 | |
| 401 | P | A | 0.0706 | |
| 402 | P | A | -1.8588 | |
| 403 | K | A | -3.5059 | |
| 404 | E | A | -3.8474 | |
| 405 | R | A | -4.1173 | |
| 406 | E | A | -3.8379 | |
| 407 | D | A | -2.9263 | |
| 408 | P | A | -1.7621 | |
| 409 | Y | A | -0.9786 | |
| 410 | K | A | -2.0892 | |
| 411 | G | A | -0.6294 | |
| 412 | L | A | 0.7523 | |
| 413 | I | A | 1.5897 | |
| 414 | F | A | 0.0000 | |
| 415 | W | A | -0.3845 | |
| 416 | E | A | -1.6481 | |
| 417 | V | A | 0.0000 | |
| 418 | D | A | -2.8444 | |
| 419 | L | A | 0.0000 | |
| 420 | T | A | -1.8989 | |
| 421 | E | A | -2.5085 | |
| 422 | R | A | -2.0750 | |
| 423 | F | A | -1.0276 | |
| 424 | S | A | -1.3203 | |
| 425 | Q | A | -1.8498 | |
| 426 | D | A | -2.8873 | |
| 427 | L | A | -1.9857 | |
| 428 | D | A | -2.7719 | |
| 429 | Q | A | -2.6042 | |
| 430 | F | A | -1.4257 | |
| 431 | A | A | -0.8817 | |
| 432 | L | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | R | A | -1.5351 | |
| 435 | K | A | -0.6914 | |
| 436 | F | A | 0.1698 | |
| 437 | L | A | 1.0497 | |
| 438 | Y | A | 0.8425 | |
| 439 | Q | A | -0.2541 |
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