| Chain sequence(s) |
A: FRAPPVIPNVPFLWAWNAPSEFCLGKFDVPLDMSLFSFIGSPRINATGQGVTIFYKDRLGYYPYIDLKTGQSFNGGIPQKISLQKHLDKAKKDISFYMPVDNLGLAVIDWEEWRPTWARNWKPKDVYRNKSIELVQQQNVQLSLTEATKKAKEEFEKAGKDFLVETIKLGKSLRPNHLWGYYLFPDCYNHHYKTPGYNGSCFNVEIKRNDDLSWLWNESTALYPSIYLNTQMSPSAATLFVRNRVREAIRVSKIPDAKSPLPVFAYTRLVFTDEVLKFLSQDELVYTFGETVALGASGIVIWGSWENTRSKESCQRIKEYMDTTLNPYIINVTLAAKMCSQVLCQEQGVCIRKNWNSSDYLHLNPKNFEIVLEKGGKFTVRGKPTLEDLENFSEKFRCSCYSTLSCKEKADVKDTDHVDVCIADGVCIHAL
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] (00:00:00)
[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] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:11:21)
[INFO] Main: Simulation completed successfully. (00:11:25)
|
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 | 0.8130 | |
| 2 | R | A | 0.1089 | |
| 3 | A | A | -0.1004 | |
| 4 | P | A | 0.0486 | |
| 5 | P | A | -0.1363 | |
| 6 | V | A | 0.3865 | |
| 7 | I | A | 0.2316 | |
| 8 | P | A | -0.5245 | |
| 9 | N | A | -1.3319 | |
| 10 | V | A | -0.1176 | |
| 11 | P | A | -0.4665 | |
| 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 | -0.1940 | |
| 21 | E | A | -0.8261 | |
| 22 | F | A | -1.1289 | |
| 23 | C | A | 0.0000 | |
| 24 | L | A | -0.1497 | |
| 25 | G | A | -1.1088 | |
| 26 | K | A | -2.2404 | |
| 27 | F | A | -1.9471 | |
| 28 | D | A | -1.7914 | |
| 29 | V | A | 0.0000 | |
| 30 | P | A | -0.3088 | |
| 31 | L | A | -0.6198 | |
| 32 | D | A | -0.7499 | |
| 33 | M | A | 0.0705 | |
| 34 | S | A | -0.6641 | |
| 35 | L | A | 0.0000 | |
| 36 | F | A | 0.0000 | |
| 37 | S | A | 0.2845 | |
| 38 | F | A | 0.0000 | |
| 39 | I | A | 1.0629 | |
| 40 | G | A | 0.0000 | |
| 41 | S | A | 0.0000 | |
| 42 | P | A | 0.0000 | |
| 43 | R | A | -0.0249 | |
| 44 | I | A | 0.8629 | |
| 45 | N | A | -0.3345 | |
| 46 | A | A | -0.2081 | |
| 47 | T | A | 0.0300 | |
| 48 | G | A | -0.3124 | |
| 49 | Q | A | -0.1478 | |
| 50 | G | A | -0.0254 | |
| 51 | V | A | 0.0000 | |
| 52 | T | A | 0.0000 | |
| 53 | I | A | 0.0000 | |
| 54 | F | A | 0.0000 | |
| 55 | Y | A | -0.6546 | |
| 56 | K | A | -1.6905 | |
| 57 | D | A | -1.7282 | |
| 58 | R | A | -0.6861 | |
| 59 | L | A | 0.0000 | |
| 60 | G | A | 0.0000 | |
| 61 | Y | A | -0.6201 | |
| 62 | Y | A | 0.0000 | |
| 63 | P | A | 0.0000 | |
| 64 | Y | A | 0.0000 | |
| 65 | I | A | 0.0000 | |
| 66 | D | A | -0.8988 | |
| 67 | L | A | -0.6027 | |
| 68 | K | A | -1.7465 | |
| 69 | T | A | -1.3680 | |
| 70 | G | A | -1.2576 | |
| 71 | Q | A | -1.4993 | |
| 72 | S | A | -0.4729 | |
| 73 | F | A | 0.0518 | |
| 74 | N | A | -0.2694 | |
| 75 | G | A | -0.7363 | |
| 76 | G | A | 0.0000 | |
| 77 | I | A | 0.0000 | |
| 78 | P | A | 0.0000 | |
| 79 | Q | A | -1.6624 | |
| 80 | K | A | -1.6868 | |
| 81 | I | A | -1.0106 | |
| 82 | S | A | -1.2044 | |
| 83 | L | A | -1.5388 | |
| 84 | Q | A | -2.2947 | |
| 85 | K | A | -2.5917 | |
| 86 | H | A | 0.0000 | |
| 87 | L | A | -2.1769 | |
| 88 | D | A | -3.0696 | |
| 89 | K | A | -2.6013 | |
| 90 | A | A | 0.0000 | |
| 91 | K | A | -2.6317 | |
| 92 | K | A | -2.5717 | |
| 93 | D | A | -1.2926 | |
| 94 | I | A | 0.0000 | |
| 95 | S | A | -0.3688 | |
| 96 | F | A | 0.6669 | |
| 97 | Y | A | 0.0000 | |
| 98 | M | A | 0.0000 | |
| 99 | P | A | 0.3621 | |
| 100 | V | A | 0.9509 | |
| 101 | D | A | -0.7528 | |
| 102 | N | A | -1.3118 | |
| 103 | L | A | -0.4179 | |
| 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 | -0.7551 | |
| 110 | W | A | 0.0000 | |
| 111 | E | A | -1.4226 | |
| 112 | E | A | -1.0432 | |
| 113 | W | A | 0.0000 | |
| 114 | R | A | 0.0000 | |
| 115 | P | A | 0.0000 | |
| 116 | T | A | -0.8078 | |
| 117 | W | A | 0.0000 | |
| 118 | A | A | -0.1383 | |
| 119 | R | A | 0.0000 | |
| 120 | N | A | 0.0000 | |
| 121 | W | A | -0.6070 | |
| 122 | K | A | -1.7557 | |
| 123 | P | A | -1.1569 | |
| 124 | K | A | -1.1370 | |
| 125 | D | A | -1.2394 | |
| 126 | V | A | -0.7650 | |
| 127 | Y | A | 0.0000 | |
| 128 | R | A | -1.3972 | |
| 129 | N | A | -2.0302 | |
| 130 | K | A | -1.7224 | |
| 131 | S | A | 0.0000 | |
| 132 | I | A | -2.1600 | |
| 133 | E | A | -2.6859 | |
| 134 | L | A | -2.0613 | |
| 135 | V | A | 0.0000 | |
| 136 | Q | A | -1.7018 | |
| 137 | Q | A | -2.1407 | |
| 138 | Q | A | -2.0208 | |
| 139 | N | A | -1.3588 | |
| 140 | V | A | 0.1931 | |
| 141 | Q | A | -0.7300 | |
| 142 | L | A | -0.4551 | |
| 143 | S | A | 0.0771 | |
| 144 | L | A | 0.4892 | |
| 145 | T | A | -0.3420 | |
| 146 | E | A | -1.6200 | |
| 147 | A | A | 0.0000 | |
| 148 | T | A | -2.0792 | |
| 149 | K | A | -3.1791 | |
| 150 | K | A | -3.1941 | |
| 151 | A | A | 0.0000 | |
| 152 | K | A | -3.3872 | |
| 153 | E | A | -4.1085 | |
| 154 | E | A | -3.7052 | |
| 155 | F | A | 0.0000 | |
| 156 | E | A | -2.8729 | |
| 157 | K | A | -3.6782 | |
| 158 | A | A | -2.6651 | |
| 159 | G | A | 0.0000 | |
| 160 | K | A | -2.5280 | |
| 161 | D | A | -2.7509 | |
| 162 | F | A | 0.0000 | |
| 163 | L | A | 0.0000 | |
| 164 | V | A | -1.5004 | |
| 165 | E | A | -1.9512 | |
| 166 | T | A | 0.0000 | |
| 167 | I | A | 0.0000 | |
| 168 | K | A | -1.4858 | |
| 169 | L | A | -1.1095 | |
| 170 | G | A | 0.0000 | |
| 171 | K | A | -1.1361 | |
| 172 | S | A | -0.8671 | |
| 173 | L | A | -0.5239 | |
| 174 | R | A | -0.8870 | |
| 175 | P | A | -1.3136 | |
| 176 | N | A | -1.4925 | |
| 177 | H | A | 0.0000 | |
| 178 | L | A | -0.0696 | |
| 179 | W | A | 0.0000 | |
| 180 | G | A | 0.0000 | |
| 181 | Y | A | 0.0000 | |
| 182 | Y | A | -0.0175 | |
| 183 | L | A | 0.0158 | |
| 184 | F | A | 0.0000 | |
| 185 | P | A | 0.0000 | |
| 186 | D | A | 0.0000 | |
| 187 | C | A | 0.0000 | |
| 188 | Y | A | 0.0000 | |
| 189 | N | A | 0.0000 | |
| 190 | H | A | -1.4076 | |
| 191 | H | A | -1.9462 | |
| 192 | Y | A | -1.7749 | |
| 193 | K | A | -2.3341 | |
| 194 | T | A | -1.5293 | |
| 195 | P | A | -1.1040 | |
| 196 | G | A | -1.0431 | |
| 197 | Y | A | -1.3243 | |
| 198 | N | A | -1.4090 | |
| 199 | G | A | 0.0000 | |
| 200 | S | A | -0.5384 | |
| 201 | C | A | -0.0259 | |
| 202 | F | A | 0.6750 | |
| 203 | N | A | -0.5530 | |
| 204 | V | A | 0.2273 | |
| 205 | E | A | 0.0000 | |
| 206 | I | A | -0.6413 | |
| 207 | K | A | -2.0366 | |
| 208 | R | A | -1.5633 | |
| 209 | N | A | 0.0000 | |
| 210 | D | A | -1.6891 | |
| 211 | D | A | -2.4576 | |
| 212 | L | A | 0.0000 | |
| 213 | S | A | -0.9482 | |
| 214 | W | A | -0.8923 | |
| 215 | L | A | 0.0000 | |
| 216 | W | A | 0.0000 | |
| 217 | N | A | -1.4864 | |
| 218 | E | A | -1.2011 | |
| 219 | S | A | 0.0000 | |
| 220 | T | A | -0.3891 | |
| 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 | 0.1168 | |
| 228 | L | A | 0.0000 | |
| 229 | N | A | -1.0066 | |
| 230 | T | A | -1.3341 | |
| 231 | Q | A | -1.6614 | |
| 232 | M | A | -1.0904 | |
| 233 | S | A | -0.7560 | |
| 234 | P | A | -0.7851 | |
| 235 | S | A | -0.4019 | |
| 236 | A | A | 0.0000 | |
| 237 | A | A | 0.0000 | |
| 238 | T | A | 0.0000 | |
| 239 | L | A | -0.2708 | |
| 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 | -1.3690 | |
| 247 | E | A | 0.0000 | |
| 248 | A | A | 0.0000 | |
| 249 | I | A | 0.0000 | |
| 250 | R | A | -0.9583 | |
| 251 | V | A | 0.0000 | |
| 252 | S | A | 0.0000 | |
| 253 | K | A | -1.4589 | |
| 254 | I | A | -0.8395 | |
| 255 | P | A | -1.3494 | |
| 256 | D | A | -2.1354 | |
| 257 | A | A | -1.4456 | |
| 258 | K | A | -1.9007 | |
| 259 | S | A | -1.2574 | |
| 260 | P | A | 0.0000 | |
| 261 | L | A | -0.6175 | |
| 262 | P | A | -0.0462 | |
| 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 | 0.0027 | |
| 269 | L | A | 0.0000 | |
| 270 | V | A | 0.0000 | |
| 271 | F | A | 0.0000 | |
| 272 | T | A | -1.0495 | |
| 273 | D | A | -2.1758 | |
| 274 | E | A | -1.6023 | |
| 275 | V | A | -0.7142 | |
| 276 | L | A | -0.6236 | |
| 277 | K | A | -1.1399 | |
| 278 | F | A | -0.5093 | |
| 279 | L | A | 0.0000 | |
| 280 | S | A | -1.2099 | |
| 281 | Q | A | -1.6346 | |
| 282 | D | A | -2.2489 | |
| 283 | E | A | -1.3300 | |
| 284 | L | A | 0.0000 | |
| 285 | V | A | -0.6876 | |
| 286 | Y | A | -0.4580 | |
| 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 | 0.0400 | |
| 298 | G | A | 0.0000 | |
| 299 | I | A | 0.0000 | |
| 300 | V | A | 0.0000 | |
| 301 | I | A | 0.0000 | |
| 302 | W | A | 0.0951 | |
| 303 | G | A | -0.0529 | |
| 304 | S | A | -0.4135 | |
| 305 | W | A | -0.6622 | |
| 306 | E | A | -1.3396 | |
| 307 | N | A | 0.0000 | |
| 308 | T | A | 0.0000 | |
| 309 | R | A | -2.6761 | |
| 310 | S | A | -2.5444 | |
| 311 | K | A | -3.0387 | |
| 312 | E | A | -3.2228 | |
| 313 | S | A | 0.0000 | |
| 314 | C | A | 0.0000 | |
| 315 | Q | A | -2.9440 | |
| 316 | R | A | -2.9326 | |
| 317 | I | A | 0.0000 | |
| 318 | K | A | -2.2764 | |
| 319 | E | A | -2.7497 | |
| 320 | Y | A | 0.0000 | |
| 321 | M | A | 0.0000 | |
| 322 | D | A | -1.4109 | |
| 323 | T | A | -0.7793 | |
| 324 | T | A | -0.6617 | |
| 325 | L | A | 0.0000 | |
| 326 | N | A | 0.0000 | |
| 327 | P | A | -0.2106 | |
| 328 | Y | A | 0.0000 | |
| 329 | I | A | 0.0000 | |
| 330 | I | A | 0.0000 | |
| 331 | N | A | -0.4901 | |
| 332 | V | A | 0.0000 | |
| 333 | T | A | 0.0000 | |
| 334 | L | A | 0.0000 | |
| 335 | A | A | 0.0000 | |
| 336 | A | A | -0.0986 | |
| 337 | K | A | -0.7844 | |
| 338 | M | A | 0.0000 | |
| 339 | C | A | 0.0000 | |
| 340 | S | A | 0.0000 | |
| 341 | Q | A | -1.6572 | |
| 342 | V | A | 0.0000 | |
| 343 | L | A | 0.0000 | |
| 344 | C | A | 0.0000 | |
| 345 | Q | A | -2.4373 | |
| 346 | E | A | -2.6763 | |
| 347 | Q | A | -1.8713 | |
| 348 | G | A | 0.0000 | |
| 349 | V | A | -0.3983 | |
| 350 | C | A | 0.0000 | |
| 351 | I | A | -0.7104 | |
| 352 | R | A | 0.0000 | |
| 353 | K | A | -3.1835 | |
| 354 | N | A | -2.5118 | |
| 355 | W | A | -1.3788 | |
| 356 | N | A | -1.5837 | |
| 357 | S | A | -1.2969 | |
| 358 | S | A | -0.6863 | |
| 359 | D | A | -1.0386 | |
| 360 | Y | A | -0.1100 | |
| 361 | L | A | 0.0000 | |
| 362 | H | A | -0.4255 | |
| 363 | L | A | 0.0000 | |
| 364 | N | A | -1.8081 | |
| 365 | P | A | -1.8093 | |
| 366 | K | A | -2.5808 | |
| 367 | N | A | -2.5450 | |
| 368 | F | A | 0.0000 | |
| 369 | E | A | -2.8184 | |
| 370 | I | A | -0.7398 | |
| 371 | V | A | -0.5526 | |
| 372 | L | A | -0.5229 | |
| 373 | E | A | -1.3983 | |
| 374 | K | A | -2.3028 | |
| 375 | G | A | -1.8785 | |
| 376 | G | A | -1.8015 | |
| 377 | K | A | -2.4442 | |
| 378 | F | A | 0.0000 | |
| 379 | T | A | -1.0131 | |
| 380 | V | A | -1.3807 | |
| 381 | R | A | -2.8845 | |
| 382 | G | A | -3.0179 | |
| 383 | K | A | -2.6905 | |
| 384 | P | A | 0.0000 | |
| 385 | T | A | -1.3317 | |
| 386 | L | A | -1.6813 | |
| 387 | E | A | -2.5764 | |
| 388 | D | A | 0.0000 | |
| 389 | L | A | 0.0000 | |
| 390 | E | A | -3.5533 | |
| 391 | N | A | -2.6810 | |
| 392 | F | A | 0.0000 | |
| 393 | S | A | -3.0305 | |
| 394 | E | A | -3.2770 | |
| 395 | K | A | -2.8963 | |
| 396 | F | A | 0.0000 | |
| 397 | R | A | -2.5611 | |
| 398 | C | A | 0.0000 | |
| 399 | S | A | 0.0000 | |
| 400 | C | A | -0.5944 | |
| 401 | Y | A | 0.0000 | |
| 402 | S | A | -0.2472 | |
| 403 | T | A | -0.0245 | |
| 404 | L | A | 0.3100 | |
| 405 | S | A | -0.3901 | |
| 406 | C | A | 0.0000 | |
| 407 | K | A | -2.4749 | |
| 408 | E | A | -2.7452 | |
| 409 | K | A | -2.5317 | |
| 410 | A | A | -1.9171 | |
| 411 | D | A | -3.2381 | |
| 412 | V | A | 0.0000 | |
| 413 | K | A | -3.8097 | |
| 414 | D | A | -3.6907 | |
| 415 | T | A | -2.6747 | |
| 416 | D | A | -2.6488 | |
| 417 | H | A | -2.0061 | |
| 418 | V | A | 0.0000 | |
| 419 | D | A | -1.7314 | |
| 420 | V | A | 0.0000 | |
| 421 | C | A | -0.5251 | |
| 422 | I | A | -0.1483 | |
| 423 | A | A | -0.7517 | |
| 424 | D | A | -2.0866 | |
| 425 | G | A | -1.4224 | |
| 426 | V | A | 0.0000 | |
| 427 | C | A | -0.8780 | |
| 428 | I | A | 0.0000 | |
| 429 | H | A | -1.8651 | |
| 430 | A | A | -1.1974 | |
| 431 | L | A | 0.0612 |
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