| Chain sequence(s) |
A: FRAPPVIPNVPFLWAWNAPSEFCLGKFDVPLDMSLFSFIGSPRINATGQGVTIFYKDRLGYYPYIDLKTGEMINGGIPQKISLQKHLDKAKKDISFYMPVDNLGLAVIDWEEWRPTWARNWKPKDVYRNKSIELVQQQNVQLSLTEATKKAKEEFEKAGKDFLVETIKLGKSLRPNHLWGYYLFPDCYNHHYKTPGYNGSCPNVEIKRNDDLSWLWNESTALYPSIYLNTQMSPSAATLFVRNRVREAIRVSKIPDAKSPLPVFAYTRLVFTDEVLKFLSQDELVYTFGETVALGASGIVIWGSWENTRSKESCQRIKEYMDTTLNPYIINVTLAAKMCSQVLCQEQGVCIRKNWNSSDYLHLNPKNFEIVLEKGGKFTVRGKPTLEDLENFSEKFRCSCYSTLSCKEKADVKDVDHVDVCIADGVCIHAL
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| 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] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:12:53)
[INFO] Main: Simulation completed successfully. (00:12:57)
|
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 | F | A | 0.6529 | |
| 2 | R | A | 0.1185 | |
| 3 | A | A | -0.1185 | |
| 4 | P | A | 0.0319 | |
| 5 | P | A | -0.1243 | |
| 6 | V | A | 0.3592 | |
| 7 | I | A | 0.2307 | |
| 8 | P | A | -0.5139 | |
| 9 | N | A | -1.3236 | |
| 10 | V | A | -0.0835 | |
| 11 | P | A | -0.4445 | |
| 12 | F | A | 0.0000 | |
| 13 | L | A | 0.0000 | |
| 14 | W | A | 0.0000 | |
| 15 | A | A | 0.0000 | |
| 16 | W | A | 0.0000 | |
| 17 | N | A | 0.0000 | |
| 18 | A | A | 0.0000 | |
| 19 | P | A | 0.0000 | |
| 20 | S | A | -0.2399 | |
| 21 | E | A | -0.7794 | |
| 22 | F | A | -0.9181 | |
| 23 | C | A | 0.0000 | |
| 24 | L | A | -0.1584 | |
| 25 | G | A | -1.0973 | |
| 26 | K | A | -2.2218 | |
| 27 | F | A | -2.1128 | |
| 28 | D | A | -1.9213 | |
| 29 | V | A | 0.0000 | |
| 30 | P | A | -0.4489 | |
| 31 | L | A | -0.7357 | |
| 32 | D | A | -0.8410 | |
| 33 | M | A | 0.0332 | |
| 34 | S | A | -0.6906 | |
| 35 | L | A | 0.0000 | |
| 36 | F | A | 0.0000 | |
| 37 | S | A | 0.2337 | |
| 38 | F | A | 0.0000 | |
| 39 | I | A | 0.9364 | |
| 40 | G | A | 0.0000 | |
| 41 | S | A | 0.0000 | |
| 42 | P | A | -0.0657 | |
| 43 | R | A | -0.2757 | |
| 44 | I | A | 0.7087 | |
| 45 | N | A | -0.4368 | |
| 46 | A | A | -0.3135 | |
| 47 | T | A | -0.0098 | |
| 48 | G | A | -0.2884 | |
| 49 | Q | A | -0.1611 | |
| 50 | G | A | -0.0621 | |
| 51 | V | A | 0.0000 | |
| 52 | T | A | 0.0000 | |
| 53 | I | A | 0.0000 | |
| 54 | F | A | 0.0000 | |
| 55 | Y | A | -0.5737 | |
| 56 | K | A | -1.3422 | |
| 57 | D | A | -1.6776 | |
| 58 | R | A | -0.6496 | |
| 59 | L | A | 0.0000 | |
| 60 | G | A | -1.6787 | |
| 61 | Y | A | -0.7165 | |
| 62 | Y | A | 0.0000 | |
| 63 | P | A | 0.0000 | |
| 64 | Y | A | -0.0928 | |
| 65 | I | A | 0.0000 | |
| 66 | D | A | -0.8505 | |
| 67 | L | A | -0.3364 | |
| 68 | K | A | -1.7029 | |
| 69 | T | A | -1.4273 | |
| 70 | G | A | -1.3742 | |
| 71 | E | A | -1.9322 | |
| 72 | M | A | -0.4470 | |
| 73 | I | A | -0.1775 | |
| 74 | N | A | -0.3925 | |
| 75 | G | A | -0.6352 | |
| 76 | G | A | 0.0000 | |
| 77 | I | A | 0.0000 | |
| 78 | P | A | 0.0000 | |
| 79 | Q | A | -1.5363 | |
| 80 | K | A | -1.4332 | |
| 81 | I | A | -0.9076 | |
| 82 | S | A | -1.1434 | |
| 83 | L | A | -1.4005 | |
| 84 | Q | A | -2.2545 | |
| 85 | K | A | -2.6252 | |
| 86 | H | A | 0.0000 | |
| 87 | L | A | -2.1311 | |
| 88 | D | A | -3.0057 | |
| 89 | K | A | -2.7507 | |
| 90 | A | A | 0.0000 | |
| 91 | K | A | -2.4096 | |
| 92 | K | A | -2.4572 | |
| 93 | D | A | 0.0000 | |
| 94 | I | A | 0.0000 | |
| 95 | S | A | -0.2842 | |
| 96 | F | A | 0.7027 | |
| 97 | Y | A | 0.0000 | |
| 98 | M | A | 0.0000 | |
| 99 | P | A | 0.4269 | |
| 100 | V | A | 1.0037 | |
| 101 | D | A | -0.6487 | |
| 102 | N | A | -1.2898 | |
| 103 | L | A | -0.4515 | |
| 104 | G | A | 0.0000 | |
| 105 | L | A | 0.0000 | |
| 106 | A | A | 0.0000 | |
| 107 | V | A | 0.0000 | |
| 108 | I | A | 0.0000 | |
| 109 | D | A | -0.5906 | |
| 110 | W | A | 0.0000 | |
| 111 | E | A | -0.9321 | |
| 112 | E | A | -0.6739 | |
| 113 | W | A | 0.0000 | |
| 114 | R | A | 0.0000 | |
| 115 | P | A | 0.0000 | |
| 116 | T | A | -0.8101 | |
| 117 | W | A | 0.0000 | |
| 118 | A | A | -0.0582 | |
| 119 | R | A | 0.0000 | |
| 120 | N | A | 0.0000 | |
| 121 | W | A | -0.3357 | |
| 122 | K | A | -1.6777 | |
| 123 | P | A | -1.0668 | |
| 124 | K | A | -1.0356 | |
| 125 | D | A | -1.2092 | |
| 126 | V | A | -0.8385 | |
| 127 | Y | A | 0.0000 | |
| 128 | R | A | -1.5860 | |
| 129 | N | A | -2.1041 | |
| 130 | K | A | -1.7596 | |
| 131 | S | A | 0.0000 | |
| 132 | I | A | -2.1185 | |
| 133 | E | A | -2.3707 | |
| 134 | L | A | -1.7889 | |
| 135 | V | A | 0.0000 | |
| 136 | Q | A | -1.4237 | |
| 137 | Q | A | -1.9676 | |
| 138 | Q | A | -1.9243 | |
| 139 | N | A | -1.1755 | |
| 140 | V | A | 0.2603 | |
| 141 | Q | A | -0.6927 | |
| 142 | L | A | -0.4006 | |
| 143 | S | A | 0.0897 | |
| 144 | L | A | 0.6690 | |
| 145 | T | A | -0.4180 | |
| 146 | E | A | -1.6908 | |
| 147 | A | A | 0.0000 | |
| 148 | T | A | -2.1239 | |
| 149 | K | A | -3.2741 | |
| 150 | K | A | -3.2725 | |
| 151 | A | A | 0.0000 | |
| 152 | K | A | -3.4570 | |
| 153 | E | A | -4.2199 | |
| 154 | E | A | -3.7564 | |
| 155 | F | A | 0.0000 | |
| 156 | E | A | -2.9048 | |
| 157 | K | A | -3.7224 | |
| 158 | A | A | -2.6541 | |
| 159 | G | A | 0.0000 | |
| 160 | K | A | -2.5359 | |
| 161 | D | A | -2.7187 | |
| 162 | F | A | 0.0000 | |
| 163 | L | A | 0.0000 | |
| 164 | V | A | -1.3755 | |
| 165 | E | A | -1.6791 | |
| 166 | T | A | 0.0000 | |
| 167 | I | A | 0.0000 | |
| 168 | K | A | -1.2001 | |
| 169 | L | A | -0.9331 | |
| 170 | G | A | 0.0000 | |
| 171 | K | A | -1.0791 | |
| 172 | S | A | -0.8024 | |
| 173 | L | A | -0.4438 | |
| 174 | R | A | -0.8405 | |
| 175 | P | A | -1.3063 | |
| 176 | N | A | -1.5297 | |
| 177 | H | A | 0.0000 | |
| 178 | L | A | -0.0981 | |
| 179 | W | A | 0.0000 | |
| 180 | G | A | 0.0000 | |
| 181 | Y | A | 0.0000 | |
| 182 | Y | A | 0.0000 | |
| 183 | L | A | 0.0272 | |
| 184 | F | A | 0.0000 | |
| 185 | P | A | 0.0000 | |
| 186 | D | A | 0.0000 | |
| 187 | C | A | 0.0000 | |
| 188 | Y | A | -0.1488 | |
| 189 | N | A | 0.0000 | |
| 190 | H | A | -1.5246 | |
| 191 | H | A | -2.0346 | |
| 192 | Y | A | -1.8054 | |
| 193 | K | A | -2.3631 | |
| 194 | T | A | -1.5349 | |
| 195 | P | A | -1.0967 | |
| 196 | G | A | -1.1363 | |
| 197 | Y | A | -1.3415 | |
| 198 | N | A | -1.4303 | |
| 199 | G | A | 0.0000 | |
| 200 | S | A | -0.9407 | |
| 201 | C | A | 0.0000 | |
| 202 | P | A | -0.5214 | |
| 203 | N | A | -1.1236 | |
| 204 | V | A | -0.0983 | |
| 205 | E | A | 0.0000 | |
| 206 | I | A | -0.9206 | |
| 207 | K | A | -2.1831 | |
| 208 | R | A | -1.6761 | |
| 209 | N | A | 0.0000 | |
| 210 | D | A | -1.6701 | |
| 211 | D | A | -2.4614 | |
| 212 | L | A | 0.0000 | |
| 213 | S | A | -0.9495 | |
| 214 | W | A | -0.9143 | |
| 215 | L | A | 0.0000 | |
| 216 | W | A | 0.0000 | |
| 217 | N | A | -1.4721 | |
| 218 | E | A | -1.1351 | |
| 219 | S | A | 0.0000 | |
| 220 | T | A | -0.4035 | |
| 221 | A | A | 0.0000 | |
| 222 | L | A | 0.0000 | |
| 223 | Y | A | 0.0000 | |
| 224 | P | A | 0.0000 | |
| 225 | S | A | 0.0000 | |
| 226 | I | A | 0.0000 | |
| 227 | Y | A | 0.1115 | |
| 228 | L | A | 0.0000 | |
| 229 | N | A | -1.0906 | |
| 230 | T | A | -1.4335 | |
| 231 | Q | A | -1.7697 | |
| 232 | M | A | -1.1543 | |
| 233 | S | A | -0.7759 | |
| 234 | P | A | -0.7946 | |
| 235 | S | A | -0.3996 | |
| 236 | A | A | 0.0000 | |
| 237 | A | A | 0.0000 | |
| 238 | T | A | 0.0000 | |
| 239 | L | A | -0.3029 | |
| 240 | F | A | 0.0000 | |
| 241 | V | A | 0.0000 | |
| 242 | R | A | 0.0000 | |
| 243 | N | A | 0.0000 | |
| 244 | R | A | 0.0000 | |
| 245 | V | A | 0.0000 | |
| 246 | R | A | -1.2597 | |
| 247 | E | A | 0.0000 | |
| 248 | A | A | 0.0000 | |
| 249 | I | A | 0.0000 | |
| 250 | R | A | -0.8061 | |
| 251 | V | A | 0.0000 | |
| 252 | S | A | 0.0000 | |
| 253 | K | A | -1.2061 | |
| 254 | I | A | -0.6955 | |
| 255 | P | A | -1.2828 | |
| 256 | D | A | -2.0896 | |
| 257 | A | A | -1.3810 | |
| 258 | K | A | -1.9182 | |
| 259 | S | A | -1.2701 | |
| 260 | P | A | 0.0000 | |
| 261 | L | A | -0.5567 | |
| 262 | P | A | -0.0224 | |
| 263 | V | A | 0.0000 | |
| 264 | F | A | 0.0000 | |
| 265 | A | A | 0.0000 | |
| 266 | Y | A | 0.0000 | |
| 267 | T | A | 0.0000 | |
| 268 | R | A | -0.0020 | |
| 269 | L | A | 0.0000 | |
| 270 | V | A | 0.0000 | |
| 271 | F | A | 0.0000 | |
| 272 | T | A | -1.1299 | |
| 273 | D | A | -2.2993 | |
| 274 | E | A | -1.8039 | |
| 275 | V | A | -0.8182 | |
| 276 | L | A | -0.6810 | |
| 277 | K | A | -1.3212 | |
| 278 | F | A | -0.5839 | |
| 279 | L | A | 0.0000 | |
| 280 | S | A | -1.2181 | |
| 281 | Q | A | -1.6081 | |
| 282 | D | A | -2.2364 | |
| 283 | E | A | -1.3305 | |
| 284 | L | A | 0.0000 | |
| 285 | V | A | -0.6725 | |
| 286 | Y | A | -0.4546 | |
| 287 | T | A | 0.0000 | |
| 288 | F | A | 0.0000 | |
| 289 | G | A | 0.0000 | |
| 290 | E | A | 0.0000 | |
| 291 | T | A | 0.0000 | |
| 292 | V | A | 0.0000 | |
| 293 | A | A | 0.0000 | |
| 294 | L | A | 0.0000 | |
| 295 | G | A | 0.0000 | |
| 296 | A | A | 0.0000 | |
| 297 | S | A | 0.0477 | |
| 298 | G | A | 0.0000 | |
| 299 | I | A | 0.0000 | |
| 300 | V | A | 0.0000 | |
| 301 | I | A | 0.0000 | |
| 302 | W | A | 0.0995 | |
| 303 | G | A | 0.0283 | |
| 304 | S | A | -0.2130 | |
| 305 | W | A | -0.2207 | |
| 306 | E | A | -0.8955 | |
| 307 | N | A | 0.0000 | |
| 308 | T | A | 0.0000 | |
| 309 | R | A | -2.0497 | |
| 310 | S | A | -2.3730 | |
| 311 | K | A | -3.1894 | |
| 312 | E | A | -3.4017 | |
| 313 | S | A | -2.6814 | |
| 314 | C | A | 0.0000 | |
| 315 | Q | A | -3.5257 | |
| 316 | R | A | -3.1688 | |
| 317 | I | A | 0.0000 | |
| 318 | K | A | -2.5726 | |
| 319 | E | A | -2.9341 | |
| 320 | Y | A | 0.0000 | |
| 321 | M | A | 0.0000 | |
| 322 | D | A | -1.4673 | |
| 323 | T | A | -0.7895 | |
| 324 | T | A | -0.6720 | |
| 325 | L | A | 0.0000 | |
| 326 | N | A | 0.0000 | |
| 327 | P | A | -0.1941 | |
| 328 | Y | A | 0.0000 | |
| 329 | I | A | 0.0000 | |
| 330 | I | A | 0.0000 | |
| 331 | N | A | -0.5134 | |
| 332 | V | A | 0.0000 | |
| 333 | T | A | 0.0000 | |
| 334 | L | A | 0.0000 | |
| 335 | A | A | 0.0000 | |
| 336 | A | A | -0.1274 | |
| 337 | K | A | -0.8889 | |
| 338 | M | A | 0.0000 | |
| 339 | C | A | 0.0000 | |
| 340 | S | A | 0.0000 | |
| 341 | Q | A | -1.6727 | |
| 342 | V | A | 0.0000 | |
| 343 | L | A | 0.0000 | |
| 344 | C | A | 0.0000 | |
| 345 | Q | A | -2.3765 | |
| 346 | E | A | -2.6030 | |
| 347 | Q | A | -1.7514 | |
| 348 | G | A | 0.0000 | |
| 349 | V | A | -0.4080 | |
| 350 | C | A | 0.0000 | |
| 351 | I | A | -0.7122 | |
| 352 | R | A | 0.0000 | |
| 353 | K | A | -3.2106 | |
| 354 | N | A | -2.5339 | |
| 355 | W | A | -1.3967 | |
| 356 | N | A | -1.4883 | |
| 357 | S | A | -1.3225 | |
| 358 | S | A | -0.6838 | |
| 359 | D | A | -1.0698 | |
| 360 | Y | A | -0.1208 | |
| 361 | L | A | 0.0000 | |
| 362 | H | A | -0.4707 | |
| 363 | L | A | 0.0000 | |
| 364 | N | A | -2.0147 | |
| 365 | P | A | -1.8852 | |
| 366 | K | A | -2.5962 | |
| 367 | N | A | -2.4877 | |
| 368 | F | A | 0.0000 | |
| 369 | E | A | -2.7866 | |
| 370 | I | A | -0.6719 | |
| 371 | V | A | -0.4303 | |
| 372 | L | A | -0.5139 | |
| 373 | E | A | -1.3903 | |
| 374 | K | A | -2.2820 | |
| 375 | G | A | -1.9566 | |
| 376 | G | A | -1.9164 | |
| 377 | K | A | -2.5865 | |
| 378 | F | A | 0.0000 | |
| 379 | T | A | -1.0015 | |
| 380 | V | A | -1.3471 | |
| 381 | R | A | -2.8271 | |
| 382 | G | A | -3.0088 | |
| 383 | K | A | -2.6697 | |
| 384 | P | A | -1.4721 | |
| 385 | T | A | -1.3473 | |
| 386 | L | A | -1.5235 | |
| 387 | E | A | -2.4824 | |
| 388 | D | A | 0.0000 | |
| 389 | L | A | 0.0000 | |
| 390 | E | A | -3.3236 | |
| 391 | N | A | -2.5072 | |
| 392 | F | A | 0.0000 | |
| 393 | S | A | -2.9931 | |
| 394 | E | A | -3.2111 | |
| 395 | K | A | -2.8783 | |
| 396 | F | A | 0.0000 | |
| 397 | R | A | -2.6220 | |
| 398 | C | A | 0.0000 | |
| 399 | S | A | 0.0000 | |
| 400 | C | A | -0.5868 | |
| 401 | Y | A | 0.0000 | |
| 402 | S | A | -0.2800 | |
| 403 | T | A | -0.0192 | |
| 404 | L | A | 0.3475 | |
| 405 | S | A | -0.3296 | |
| 406 | C | A | -1.4133 | |
| 407 | K | A | -2.5372 | |
| 408 | E | A | -2.9658 | |
| 409 | K | A | -2.6580 | |
| 410 | A | A | -2.1402 | |
| 411 | D | A | -3.2085 | |
| 412 | V | A | 0.0000 | |
| 413 | K | A | -3.6678 | |
| 414 | D | A | -3.5436 | |
| 415 | V | A | -2.3448 | |
| 416 | D | A | -2.4380 | |
| 417 | H | A | -1.9037 | |
| 418 | V | A | 0.0000 | |
| 419 | D | A | -2.1245 | |
| 420 | V | A | 0.0000 | |
| 421 | C | A | -0.6428 | |
| 422 | I | A | -0.1305 | |
| 423 | A | A | -0.7887 | |
| 424 | D | A | -2.1083 | |
| 425 | G | A | -1.4512 | |
| 426 | V | A | 0.0000 | |
| 427 | C | A | -0.9820 | |
| 428 | I | A | 0.0000 | |
| 429 | H | A | -2.0296 | |
| 430 | A | A | -1.2725 | |
| 431 | L | A | 0.0069 |
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