| Chain sequence(s) |
A: FRAPPVIPNVPFLWAWNAPSEFCLGKFDVPLDMSLFSFIGSPRINATGQGVTIFYKDRLGYYPYIDLKTGEMINGGIPQKISLQKHLDKAKKDISFYMPVDNLGLAVIDWEEWRPTWARNWKPKDVYRNKSIELVQQQNVQLSLTEATKKAKEEFEKAGKDFLVETIKLGKSLRPNHLWGYYLFPDCYNHHYKTPGYNGSCFNVEIKRNDDLSWLWNESTALYPSIYLNTQMSPSAATLFVRNRVREAIRVSKIPDAKSPLPVFAYTRLVFTDEVLKFLSQDELVYTFGETVALGASGIVIWGSWENTRSKESCQRIKEYMDTTLNPYIINVTLAAKMCSQVLCQEQGVCIRKNWNSSDYLHLNPKNFEIVLEKGGKFTVRGKPTLEDLENFSEKFRCSCYSTLSCKEKADVKDVDHVDVCIADGVCIHAL
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 (00:13:13)
[INFO] Main: Simulation completed successfully. (00:13:17)
|
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 | 0.4479 | |
| 2 | R | A | -0.0121 | |
| 3 | A | A | -0.1471 | |
| 4 | P | A | 0.0059 | |
| 5 | P | A | -0.1380 | |
| 6 | V | A | 0.4157 | |
| 7 | I | A | 0.2563 | |
| 8 | P | A | -0.5105 | |
| 9 | N | A | -1.3315 | |
| 10 | V | A | -0.0932 | |
| 11 | P | A | -0.4956 | |
| 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 | -0.3953 | |
| 21 | E | A | -1.0638 | |
| 22 | F | A | -1.0752 | |
| 23 | C | A | 0.0000 | |
| 24 | L | A | -0.2369 | |
| 25 | G | A | -1.1656 | |
| 26 | K | A | -2.2493 | |
| 27 | F | A | -2.0504 | |
| 28 | D | A | -1.8668 | |
| 29 | V | A | 0.0000 | |
| 30 | P | A | -0.3657 | |
| 31 | L | A | -0.6836 | |
| 32 | D | A | -0.8226 | |
| 33 | M | A | 0.0336 | |
| 34 | S | A | -0.6943 | |
| 35 | L | A | 0.0000 | |
| 36 | F | A | 0.0000 | |
| 37 | S | A | 0.2316 | |
| 38 | F | A | 0.0000 | |
| 39 | I | A | 0.9527 | |
| 40 | G | A | 0.0000 | |
| 41 | S | A | 0.0000 | |
| 42 | P | A | 0.0000 | |
| 43 | R | A | -0.3774 | |
| 44 | I | A | 0.6636 | |
| 45 | N | A | -0.4470 | |
| 46 | A | A | -0.3237 | |
| 47 | T | A | 0.0086 | |
| 48 | G | A | -0.2874 | |
| 49 | Q | A | -0.1660 | |
| 50 | G | A | -0.0638 | |
| 51 | V | A | 0.0000 | |
| 52 | T | A | 0.0000 | |
| 53 | I | A | 0.0000 | |
| 54 | F | A | 0.0000 | |
| 55 | Y | A | -0.6536 | |
| 56 | K | A | -1.4990 | |
| 57 | D | A | -1.7503 | |
| 58 | R | A | -0.6755 | |
| 59 | L | A | 0.0000 | |
| 60 | G | A | 0.0000 | |
| 61 | Y | A | -0.6062 | |
| 62 | Y | A | 0.0000 | |
| 63 | P | A | 0.0000 | |
| 64 | Y | A | -0.2340 | |
| 65 | I | A | 0.0000 | |
| 66 | D | A | -1.2143 | |
| 67 | L | A | -0.5322 | |
| 68 | K | A | -1.8191 | |
| 69 | T | A | -1.5407 | |
| 70 | G | A | -1.5072 | |
| 71 | E | A | -2.0752 | |
| 72 | M | A | -0.5676 | |
| 73 | I | A | -0.2435 | |
| 74 | N | A | -0.3209 | |
| 75 | G | A | -0.4968 | |
| 76 | G | A | 0.0000 | |
| 77 | I | A | 0.0000 | |
| 78 | P | A | 0.0000 | |
| 79 | Q | A | -1.2670 | |
| 80 | K | A | -1.0428 | |
| 81 | I | A | -0.7338 | |
| 82 | S | A | -1.0410 | |
| 83 | L | A | -1.1794 | |
| 84 | Q | A | -2.2543 | |
| 85 | K | A | -2.5663 | |
| 86 | H | A | 0.0000 | |
| 87 | L | A | -2.1633 | |
| 88 | D | A | -3.0876 | |
| 89 | K | A | -2.5748 | |
| 90 | A | A | 0.0000 | |
| 91 | K | A | -2.6373 | |
| 92 | K | A | -2.5302 | |
| 93 | D | A | -1.4677 | |
| 94 | I | A | 0.0000 | |
| 95 | S | A | -0.3267 | |
| 96 | F | A | 0.7436 | |
| 97 | Y | A | 0.0000 | |
| 98 | M | A | 0.0000 | |
| 99 | P | A | 0.5546 | |
| 100 | V | A | 0.9520 | |
| 101 | D | A | -0.7786 | |
| 102 | N | A | -1.3378 | |
| 103 | L | A | -0.4301 | |
| 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 | -0.6011 | |
| 110 | W | A | 0.0000 | |
| 111 | E | A | -0.9462 | |
| 112 | E | A | -0.7853 | |
| 113 | W | A | 0.0000 | |
| 114 | R | A | 0.0000 | |
| 115 | P | A | 0.0000 | |
| 116 | T | A | -0.7833 | |
| 117 | W | A | 0.0000 | |
| 118 | A | A | -0.1263 | |
| 119 | R | A | 0.0000 | |
| 120 | N | A | 0.0000 | |
| 121 | W | A | -0.5092 | |
| 122 | K | A | -1.7457 | |
| 123 | P | A | -1.1414 | |
| 124 | K | A | -1.1290 | |
| 125 | D | A | -1.3847 | |
| 126 | V | A | -0.9383 | |
| 127 | Y | A | 0.0000 | |
| 128 | R | A | -1.3656 | |
| 129 | N | A | -1.8386 | |
| 130 | K | A | -1.3801 | |
| 131 | S | A | 0.0000 | |
| 132 | I | A | -1.4860 | |
| 133 | E | A | -1.3914 | |
| 134 | L | A | -1.2332 | |
| 135 | V | A | -1.2631 | |
| 136 | Q | A | -1.0366 | |
| 137 | Q | A | -1.6874 | |
| 138 | Q | A | -1.7726 | |
| 139 | N | A | -1.0522 | |
| 140 | V | A | 0.3700 | |
| 141 | Q | A | -0.6879 | |
| 142 | L | A | -0.3402 | |
| 143 | S | A | 0.1279 | |
| 144 | L | A | 0.8399 | |
| 145 | T | A | -0.3370 | |
| 146 | E | A | -1.5093 | |
| 147 | A | A | 0.0000 | |
| 148 | T | A | -1.9391 | |
| 149 | K | A | -3.2110 | |
| 150 | K | A | -3.2126 | |
| 151 | A | A | 0.0000 | |
| 152 | K | A | -3.5146 | |
| 153 | E | A | -4.3408 | |
| 154 | E | A | -3.9651 | |
| 155 | F | A | 0.0000 | |
| 156 | E | A | -2.7607 | |
| 157 | K | A | -3.4012 | |
| 158 | A | A | -2.1650 | |
| 159 | G | A | 0.0000 | |
| 160 | K | A | -1.7297 | |
| 161 | D | A | -1.3810 | |
| 162 | F | A | 0.0000 | |
| 163 | L | A | 0.0000 | |
| 164 | V | A | -0.9702 | |
| 165 | E | A | -1.4469 | |
| 166 | T | A | 0.0000 | |
| 167 | I | A | 0.0000 | |
| 168 | K | A | -1.3567 | |
| 169 | L | A | -1.0511 | |
| 170 | G | A | 0.0000 | |
| 171 | K | A | -1.1282 | |
| 172 | S | A | -0.8537 | |
| 173 | L | A | -0.5139 | |
| 174 | R | A | -0.8979 | |
| 175 | P | A | -1.3421 | |
| 176 | N | A | -1.5601 | |
| 177 | H | A | 0.0000 | |
| 178 | L | A | -0.0746 | |
| 179 | W | A | 0.0000 | |
| 180 | G | A | 0.0000 | |
| 181 | Y | A | 0.0000 | |
| 182 | Y | A | 0.0611 | |
| 183 | L | A | 0.0925 | |
| 184 | F | A | 0.0000 | |
| 185 | P | A | 0.0000 | |
| 186 | D | A | 0.0000 | |
| 187 | C | A | 0.0000 | |
| 188 | Y | A | -0.0183 | |
| 189 | N | A | 0.0000 | |
| 190 | H | A | -1.6102 | |
| 191 | H | A | -2.0563 | |
| 192 | Y | A | -1.9088 | |
| 193 | K | A | -2.4092 | |
| 194 | T | A | -1.5681 | |
| 195 | P | A | -1.1080 | |
| 196 | G | A | -1.0447 | |
| 197 | Y | A | -1.3493 | |
| 198 | N | A | -1.4151 | |
| 199 | G | A | 0.0000 | |
| 200 | S | A | -0.5503 | |
| 201 | C | A | -0.0112 | |
| 202 | F | A | 0.7429 | |
| 203 | N | A | -0.5388 | |
| 204 | V | A | 0.2627 | |
| 205 | E | A | 0.0000 | |
| 206 | I | A | -0.6758 | |
| 207 | K | A | -2.0526 | |
| 208 | R | A | -1.5728 | |
| 209 | N | A | 0.0000 | |
| 210 | D | A | -1.7155 | |
| 211 | D | A | -2.4710 | |
| 212 | L | A | 0.0000 | |
| 213 | S | A | -0.9431 | |
| 214 | W | A | -0.7219 | |
| 215 | L | A | 0.0000 | |
| 216 | W | A | 0.0000 | |
| 217 | N | A | -1.4907 | |
| 218 | E | A | -1.1801 | |
| 219 | S | A | 0.0000 | |
| 220 | T | A | -0.3964 | |
| 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 | 0.1176 | |
| 228 | L | A | 0.0000 | |
| 229 | N | A | -1.0178 | |
| 230 | T | A | -1.4209 | |
| 231 | Q | A | -1.7056 | |
| 232 | M | A | -1.1878 | |
| 233 | S | A | -0.7735 | |
| 234 | P | A | -0.7950 | |
| 235 | S | A | -0.4108 | |
| 236 | A | A | 0.0000 | |
| 237 | A | A | 0.0000 | |
| 238 | T | A | -0.4384 | |
| 239 | L | A | -0.2932 | |
| 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 | -1.3236 | |
| 247 | E | A | 0.0000 | |
| 248 | A | A | 0.0000 | |
| 249 | I | A | 0.0000 | |
| 250 | R | A | -1.0134 | |
| 251 | V | A | 0.0000 | |
| 252 | S | A | 0.0000 | |
| 253 | K | A | -1.4799 | |
| 254 | I | A | -0.8340 | |
| 255 | P | A | -1.3506 | |
| 256 | D | A | -2.0289 | |
| 257 | A | A | -1.4813 | |
| 258 | K | A | -1.8659 | |
| 259 | S | A | -1.2708 | |
| 260 | P | A | 0.0000 | |
| 261 | L | A | -0.6194 | |
| 262 | P | A | -0.0451 | |
| 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 | 0.0039 | |
| 269 | L | A | 0.0000 | |
| 270 | V | A | 0.0000 | |
| 271 | F | A | 0.0000 | |
| 272 | T | A | -1.0166 | |
| 273 | D | A | -2.0690 | |
| 274 | E | A | -2.0082 | |
| 275 | V | A | -0.8244 | |
| 276 | L | A | -0.7238 | |
| 277 | K | A | -1.3556 | |
| 278 | F | A | -0.6222 | |
| 279 | L | A | 0.0000 | |
| 280 | S | A | -1.2004 | |
| 281 | Q | A | -1.5859 | |
| 282 | D | A | -2.2297 | |
| 283 | E | A | -1.3301 | |
| 284 | L | A | 0.0000 | |
| 285 | V | A | -0.6739 | |
| 286 | Y | A | -0.4565 | |
| 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 | 0.0402 | |
| 298 | G | A | 0.0000 | |
| 299 | I | A | 0.0000 | |
| 300 | V | A | 0.0000 | |
| 301 | I | A | 0.0000 | |
| 302 | W | A | 0.0996 | |
| 303 | G | A | -0.0283 | |
| 304 | S | A | -0.3369 | |
| 305 | W | A | -0.4589 | |
| 306 | E | A | -1.0516 | |
| 307 | N | A | 0.0000 | |
| 308 | T | A | 0.0000 | |
| 309 | R | A | -2.0594 | |
| 310 | S | A | -2.3485 | |
| 311 | K | A | -3.1849 | |
| 312 | E | A | -3.2808 | |
| 313 | S | A | 0.0000 | |
| 314 | C | A | 0.0000 | |
| 315 | Q | A | -3.0913 | |
| 316 | R | A | -2.9604 | |
| 317 | I | A | 0.0000 | |
| 318 | K | A | -2.3249 | |
| 319 | E | A | -2.7700 | |
| 320 | Y | A | 0.0000 | |
| 321 | M | A | 0.0000 | |
| 322 | D | A | -1.4494 | |
| 323 | T | A | -0.7788 | |
| 324 | T | A | -0.6531 | |
| 325 | L | A | 0.0000 | |
| 326 | N | A | 0.0000 | |
| 327 | P | A | -0.2066 | |
| 328 | Y | A | 0.0000 | |
| 329 | I | A | 0.0000 | |
| 330 | I | A | 0.0000 | |
| 331 | N | A | -0.5206 | |
| 332 | V | A | 0.0000 | |
| 333 | T | A | 0.0000 | |
| 334 | L | A | 0.0000 | |
| 335 | A | A | 0.0000 | |
| 336 | A | A | -0.1135 | |
| 337 | K | A | -0.8738 | |
| 338 | M | A | 0.0000 | |
| 339 | C | A | 0.0000 | |
| 340 | S | A | 0.0000 | |
| 341 | Q | A | -1.7235 | |
| 342 | V | A | 0.0000 | |
| 343 | L | A | 0.0000 | |
| 344 | C | A | 0.0000 | |
| 345 | Q | A | -2.4767 | |
| 346 | E | A | -2.7176 | |
| 347 | Q | A | -1.9046 | |
| 348 | G | A | 0.0000 | |
| 349 | V | A | -0.4527 | |
| 350 | C | A | 0.0000 | |
| 351 | I | A | -0.7022 | |
| 352 | R | A | 0.0000 | |
| 353 | K | A | -3.1928 | |
| 354 | N | A | -2.5241 | |
| 355 | W | A | -1.3991 | |
| 356 | N | A | -1.4792 | |
| 357 | S | A | -1.3069 | |
| 358 | S | A | -0.6986 | |
| 359 | D | A | -1.0552 | |
| 360 | Y | A | -0.1135 | |
| 361 | L | A | 0.0000 | |
| 362 | H | A | -0.4860 | |
| 363 | L | A | 0.0000 | |
| 364 | N | A | -2.0199 | |
| 365 | P | A | -1.8899 | |
| 366 | K | A | -2.5975 | |
| 367 | N | A | -2.4840 | |
| 368 | F | A | 0.0000 | |
| 369 | E | A | -2.7976 | |
| 370 | I | A | -0.7103 | |
| 371 | V | A | -0.5302 | |
| 372 | L | A | -0.5359 | |
| 373 | E | A | -1.3872 | |
| 374 | K | A | -2.3027 | |
| 375 | G | A | -1.9088 | |
| 376 | G | A | -1.8622 | |
| 377 | K | A | -2.6023 | |
| 378 | F | A | 0.0000 | |
| 379 | T | A | -1.0218 | |
| 380 | V | A | -1.3414 | |
| 381 | R | A | -2.7868 | |
| 382 | G | A | -2.9670 | |
| 383 | K | A | -2.6760 | |
| 384 | P | A | -1.4892 | |
| 385 | T | A | -1.2872 | |
| 386 | L | A | -1.5120 | |
| 387 | E | A | -2.4523 | |
| 388 | D | A | 0.0000 | |
| 389 | L | A | 0.0000 | |
| 390 | E | A | -3.1881 | |
| 391 | N | A | -2.4488 | |
| 392 | F | A | 0.0000 | |
| 393 | S | A | -2.9094 | |
| 394 | E | A | -3.1603 | |
| 395 | K | A | -2.8334 | |
| 396 | F | A | 0.0000 | |
| 397 | R | A | -2.5621 | |
| 398 | C | A | 0.0000 | |
| 399 | S | A | 0.0000 | |
| 400 | C | A | -0.6409 | |
| 401 | Y | A | 0.0000 | |
| 402 | S | A | 0.0000 | |
| 403 | T | A | -0.0434 | |
| 404 | L | A | 0.2056 | |
| 405 | S | A | -0.3501 | |
| 406 | C | A | 0.0000 | |
| 407 | K | A | -2.4926 | |
| 408 | E | A | -2.8027 | |
| 409 | K | A | -2.6147 | |
| 410 | A | A | -2.1085 | |
| 411 | D | A | -3.1633 | |
| 412 | V | A | 0.0000 | |
| 413 | K | A | -3.6298 | |
| 414 | D | A | -3.5344 | |
| 415 | V | A | -2.3200 | |
| 416 | D | A | -2.4546 | |
| 417 | H | A | -1.9865 | |
| 418 | V | A | 0.0000 | |
| 419 | D | A | -2.1709 | |
| 420 | V | A | 0.0000 | |
| 421 | C | A | -0.6425 | |
| 422 | I | A | -0.1371 | |
| 423 | A | A | -0.7924 | |
| 424 | D | A | -2.1127 | |
| 425 | G | A | -1.4497 | |
| 426 | V | A | 0.0000 | |
| 427 | C | A | -0.9649 | |
| 428 | I | A | 0.0000 | |
| 429 | H | A | -2.0493 | |
| 430 | A | A | -1.2761 | |
| 431 | L | A | 0.0087 |
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