| Chain sequence(s) |
A: FRAPPVIPNVPFLWAWNAPSEFCLGKFDVPLDMSLFSFIGSPRINATGQGVTIFYKDRLGYYPYIDLKTGVTVNGGIPQKISLQKHLDKAKKDISFYMPVDNLGLAVIDWEEWRPTWARNWKPKDVYRNKSIELVQQQNVQLSLTEATKKAKEEFEKAGKDFLVETIKLGKSLRPNHLWGYYLFPDCYNHHYKTPGYNGSCPNVEIKRNDDLSWLWNESTALYPSIYLNTQMSPSAATLFVRNRVREAIRVSKIPDAKSPLPVFAYTRLVFTDEVLKFLSQDELVYTFGETVALGASGIVIWGSWENTRSKESCQRIKEYMDTTLNPYIINVTLAAKMCSQVLCQEQGVCIRKNWNSSDYLHLNPKNFEIVLEKGGKFTVRGKPTLEDLENFSEKFRCSCYSTLSCKEKADVKDVDHVDVCIADGVCIHAL
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 (00:12:21)
[INFO] Main: Simulation completed successfully. (00:12:25)
|
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 | 0.3604 | |
| 2 | R | A | -0.1188 | |
| 3 | A | A | -0.1927 | |
| 4 | P | A | -0.0411 | |
| 5 | P | A | -0.1165 | |
| 6 | V | A | 0.4386 | |
| 7 | I | A | 0.2778 | |
| 8 | P | A | -0.4917 | |
| 9 | N | A | -1.2156 | |
| 10 | V | A | -0.0273 | |
| 11 | P | A | -0.3516 | |
| 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 | -0.0779 | |
| 21 | E | A | -0.7996 | |
| 22 | F | A | -0.8888 | |
| 23 | C | A | 0.0000 | |
| 24 | L | A | -0.1072 | |
| 25 | G | A | -1.0550 | |
| 26 | K | A | -2.2506 | |
| 27 | F | A | -2.1178 | |
| 28 | D | A | -1.9770 | |
| 29 | V | A | 0.0000 | |
| 30 | P | A | -0.3559 | |
| 31 | L | A | -0.6565 | |
| 32 | D | A | -0.8131 | |
| 33 | M | A | -0.1095 | |
| 34 | S | A | -0.8609 | |
| 35 | L | A | 0.0000 | |
| 36 | F | A | 0.0000 | |
| 37 | S | A | 0.2520 | |
| 38 | F | A | 0.0000 | |
| 39 | I | A | 0.8933 | |
| 40 | G | A | 0.0000 | |
| 41 | S | A | 0.0000 | |
| 42 | P | A | 0.0000 | |
| 43 | R | A | 0.3036 | |
| 44 | I | A | 1.0009 | |
| 45 | N | A | -0.2084 | |
| 46 | A | A | -0.0776 | |
| 47 | T | A | 0.1362 | |
| 48 | G | A | -0.2647 | |
| 49 | Q | A | -0.1839 | |
| 50 | G | A | -0.0876 | |
| 51 | V | A | 0.0000 | |
| 52 | T | A | 0.0000 | |
| 53 | I | A | 0.0000 | |
| 54 | F | A | 0.0000 | |
| 55 | Y | A | -0.4997 | |
| 56 | K | A | -1.2988 | |
| 57 | D | A | -1.6559 | |
| 58 | R | A | -0.5942 | |
| 59 | L | A | 0.0000 | |
| 60 | G | A | 0.0000 | |
| 61 | Y | A | -0.6225 | |
| 62 | Y | A | 0.0000 | |
| 63 | P | A | 0.0000 | |
| 64 | Y | A | 0.0376 | |
| 65 | I | A | 0.0000 | |
| 66 | D | A | 0.0114 | |
| 67 | L | A | -0.1357 | |
| 68 | K | A | -1.3203 | |
| 69 | T | A | -0.4208 | |
| 70 | G | A | 0.1020 | |
| 71 | V | A | 1.3156 | |
| 72 | T | A | 0.7624 | |
| 73 | V | A | 0.4026 | |
| 74 | N | A | -0.2786 | |
| 75 | G | A | -0.7896 | |
| 76 | G | A | 0.0000 | |
| 77 | I | A | 0.0000 | |
| 78 | P | A | 0.0000 | |
| 79 | Q | A | -1.7331 | |
| 80 | K | A | -1.7769 | |
| 81 | I | A | -1.0766 | |
| 82 | S | A | -1.1775 | |
| 83 | L | A | -1.3900 | |
| 84 | Q | A | -2.1764 | |
| 85 | K | A | -2.4616 | |
| 86 | H | A | 0.0000 | |
| 87 | L | A | -2.0550 | |
| 88 | D | A | -2.9375 | |
| 89 | K | A | -2.4957 | |
| 90 | A | A | 0.0000 | |
| 91 | K | A | -2.3799 | |
| 92 | K | A | -2.3771 | |
| 93 | D | A | -1.1407 | |
| 94 | I | A | 0.0000 | |
| 95 | S | A | -0.1880 | |
| 96 | F | A | 0.9737 | |
| 97 | Y | A | 0.0000 | |
| 98 | M | A | 0.0000 | |
| 99 | P | A | 0.6094 | |
| 100 | V | A | 0.9777 | |
| 101 | D | A | -0.7825 | |
| 102 | N | A | -1.3484 | |
| 103 | L | A | -0.4309 | |
| 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 | -0.4732 | |
| 110 | W | A | 0.0000 | |
| 111 | E | A | -0.5557 | |
| 112 | E | A | -0.5118 | |
| 113 | W | A | 0.0000 | |
| 114 | R | A | 0.0000 | |
| 115 | P | A | 0.0000 | |
| 116 | T | A | -0.8120 | |
| 117 | W | A | 0.0000 | |
| 118 | A | A | -0.0848 | |
| 119 | R | A | 0.0000 | |
| 120 | N | A | 0.0000 | |
| 121 | W | A | -0.3872 | |
| 122 | K | A | -1.6490 | |
| 123 | P | A | -1.1105 | |
| 124 | K | A | -0.9893 | |
| 125 | D | A | -1.1634 | |
| 126 | V | A | -0.7839 | |
| 127 | Y | A | 0.0000 | |
| 128 | R | A | -1.4233 | |
| 129 | N | A | -1.9674 | |
| 130 | K | A | -1.8915 | |
| 131 | S | A | 0.0000 | |
| 132 | I | A | -1.9648 | |
| 133 | E | A | -2.3683 | |
| 134 | L | A | -1.8355 | |
| 135 | V | A | -1.6233 | |
| 136 | Q | A | -1.4141 | |
| 137 | Q | A | -1.9592 | |
| 138 | Q | A | -1.9174 | |
| 139 | N | A | -1.1525 | |
| 140 | V | A | 0.2796 | |
| 141 | Q | A | -0.7000 | |
| 142 | L | A | -0.3740 | |
| 143 | S | A | 0.0912 | |
| 144 | L | A | 0.6997 | |
| 145 | T | A | -0.3903 | |
| 146 | E | A | -1.6187 | |
| 147 | A | A | 0.0000 | |
| 148 | T | A | -2.0780 | |
| 149 | K | A | -3.2569 | |
| 150 | K | A | -3.2802 | |
| 151 | A | A | 0.0000 | |
| 152 | K | A | -3.5206 | |
| 153 | E | A | -4.3567 | |
| 154 | E | A | -4.0501 | |
| 155 | F | A | 0.0000 | |
| 156 | E | A | -3.0050 | |
| 157 | K | A | -3.8268 | |
| 158 | A | A | -2.7581 | |
| 159 | G | A | 0.0000 | |
| 160 | K | A | -2.5731 | |
| 161 | D | A | -2.7019 | |
| 162 | F | A | 0.0000 | |
| 163 | L | A | 0.0000 | |
| 164 | V | A | -1.3697 | |
| 165 | E | A | -1.6765 | |
| 166 | T | A | 0.0000 | |
| 167 | I | A | 0.0000 | |
| 168 | K | A | -1.2383 | |
| 169 | L | A | -0.9586 | |
| 170 | G | A | 0.0000 | |
| 171 | K | A | -1.0718 | |
| 172 | S | A | -0.6700 | |
| 173 | L | A | -0.4392 | |
| 174 | R | A | -0.8807 | |
| 175 | P | A | -1.3261 | |
| 176 | N | A | -1.5658 | |
| 177 | H | A | 0.0000 | |
| 178 | L | A | -0.0700 | |
| 179 | W | A | 0.0000 | |
| 180 | G | A | 0.0000 | |
| 181 | Y | A | 0.0000 | |
| 182 | Y | A | 0.1198 | |
| 183 | L | A | 0.1504 | |
| 184 | F | A | 0.0000 | |
| 185 | P | A | 0.0000 | |
| 186 | D | A | 0.0000 | |
| 187 | C | A | 0.0000 | |
| 188 | Y | A | -0.0906 | |
| 189 | N | A | 0.0000 | |
| 190 | H | A | -1.3056 | |
| 191 | H | A | -1.9324 | |
| 192 | Y | A | -1.7399 | |
| 193 | K | A | -2.3261 | |
| 194 | T | A | -1.5103 | |
| 195 | P | A | -1.0975 | |
| 196 | G | A | -1.1367 | |
| 197 | Y | A | -1.3152 | |
| 198 | N | A | -1.4297 | |
| 199 | G | A | 0.0000 | |
| 200 | S | A | -0.9026 | |
| 201 | C | A | 0.0000 | |
| 202 | P | A | -0.5147 | |
| 203 | N | A | -1.1141 | |
| 204 | V | A | -0.0711 | |
| 205 | E | A | 0.0000 | |
| 206 | I | A | -0.9576 | |
| 207 | K | A | -2.1953 | |
| 208 | R | A | -1.6780 | |
| 209 | N | A | 0.0000 | |
| 210 | D | A | -1.7256 | |
| 211 | D | A | -2.4790 | |
| 212 | L | A | 0.0000 | |
| 213 | S | A | -0.9535 | |
| 214 | W | A | -0.9136 | |
| 215 | L | A | 0.0000 | |
| 216 | W | A | 0.0000 | |
| 217 | N | A | -1.4576 | |
| 218 | E | A | -1.1214 | |
| 219 | S | A | 0.0000 | |
| 220 | T | A | -0.3916 | |
| 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 | 0.0986 | |
| 228 | L | A | 0.0000 | |
| 229 | N | A | -1.0420 | |
| 230 | T | A | -1.4660 | |
| 231 | Q | A | -1.7230 | |
| 232 | M | A | -1.1187 | |
| 233 | S | A | -0.7627 | |
| 234 | P | A | -0.7921 | |
| 235 | S | A | -0.4198 | |
| 236 | A | A | 0.0000 | |
| 237 | A | A | 0.0000 | |
| 238 | T | A | 0.0000 | |
| 239 | L | A | -0.2975 | |
| 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 | -1.0838 | |
| 247 | E | A | 0.0000 | |
| 248 | A | A | 0.0000 | |
| 249 | I | A | 0.0000 | |
| 250 | R | A | -0.8068 | |
| 251 | V | A | 0.0000 | |
| 252 | S | A | 0.0000 | |
| 253 | K | A | -1.2572 | |
| 254 | I | A | -0.6780 | |
| 255 | P | A | -1.2704 | |
| 256 | D | A | -2.0689 | |
| 257 | A | A | -1.4300 | |
| 258 | K | A | -1.9169 | |
| 259 | S | A | -1.2941 | |
| 260 | P | A | 0.0000 | |
| 261 | L | A | -0.5588 | |
| 262 | P | A | -0.0234 | |
| 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 | 0.0150 | |
| 269 | L | A | 0.0000 | |
| 270 | V | A | 0.0000 | |
| 271 | F | A | 0.0000 | |
| 272 | T | A | -0.9939 | |
| 273 | D | A | -2.1209 | |
| 274 | E | A | -1.8747 | |
| 275 | V | A | -0.5015 | |
| 276 | L | A | -0.3534 | |
| 277 | K | A | -1.1764 | |
| 278 | F | A | -0.6089 | |
| 279 | L | A | 0.0000 | |
| 280 | S | A | -1.4745 | |
| 281 | Q | A | -2.1361 | |
| 282 | D | A | -2.4974 | |
| 283 | E | A | -1.5027 | |
| 284 | L | A | 0.0000 | |
| 285 | V | A | -0.8296 | |
| 286 | Y | A | -0.5388 | |
| 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 | 0.0466 | |
| 298 | G | A | 0.0000 | |
| 299 | I | A | 0.0000 | |
| 300 | V | A | 0.0000 | |
| 301 | I | A | 0.0000 | |
| 302 | W | A | 0.0767 | |
| 303 | G | A | -0.0273 | |
| 304 | S | A | 0.0000 | |
| 305 | W | A | -0.5519 | |
| 306 | E | A | -1.2408 | |
| 307 | N | A | -1.1360 | |
| 308 | T | A | 0.0000 | |
| 309 | R | A | -2.6881 | |
| 310 | S | A | -2.6374 | |
| 311 | K | A | -3.1818 | |
| 312 | E | A | -3.4237 | |
| 313 | S | A | -2.8026 | |
| 314 | C | A | 0.0000 | |
| 315 | Q | A | -3.3301 | |
| 316 | R | A | -3.2924 | |
| 317 | I | A | 0.0000 | |
| 318 | K | A | -2.5822 | |
| 319 | E | A | -3.0013 | |
| 320 | Y | A | 0.0000 | |
| 321 | M | A | 0.0000 | |
| 322 | D | A | -1.6847 | |
| 323 | T | A | -0.9460 | |
| 324 | T | A | -0.8532 | |
| 325 | L | A | 0.0000 | |
| 326 | N | A | 0.0000 | |
| 327 | P | A | -0.3116 | |
| 328 | Y | A | 0.0000 | |
| 329 | I | A | 0.0000 | |
| 330 | I | A | 0.0000 | |
| 331 | N | A | -0.4693 | |
| 332 | V | A | 0.0000 | |
| 333 | T | A | 0.0000 | |
| 334 | L | A | 0.0000 | |
| 335 | A | A | 0.0000 | |
| 336 | A | A | -0.0790 | |
| 337 | K | A | -0.7718 | |
| 338 | M | A | 0.0000 | |
| 339 | C | A | 0.0000 | |
| 340 | S | A | 0.0000 | |
| 341 | Q | A | -1.6711 | |
| 342 | V | A | 0.0000 | |
| 343 | L | A | 0.0000 | |
| 344 | C | A | 0.0000 | |
| 345 | Q | A | -2.5258 | |
| 346 | E | A | -2.4048 | |
| 347 | Q | A | -1.7065 | |
| 348 | G | A | 0.0000 | |
| 349 | V | A | -0.3739 | |
| 350 | C | A | 0.0000 | |
| 351 | I | A | -0.5820 | |
| 352 | R | A | 0.0000 | |
| 353 | K | A | -3.0534 | |
| 354 | N | A | -2.4258 | |
| 355 | W | A | -1.2509 | |
| 356 | N | A | -1.4103 | |
| 357 | S | A | -1.2662 | |
| 358 | S | A | -0.6752 | |
| 359 | D | A | -1.0293 | |
| 360 | Y | A | -0.1054 | |
| 361 | L | A | 0.0000 | |
| 362 | H | A | -0.3887 | |
| 363 | L | A | 0.0000 | |
| 364 | N | A | -1.7654 | |
| 365 | P | A | -1.8210 | |
| 366 | K | A | -2.5603 | |
| 367 | N | A | -2.4952 | |
| 368 | F | A | 0.0000 | |
| 369 | E | A | -2.8377 | |
| 370 | I | A | -0.8151 | |
| 371 | V | A | -0.6544 | |
| 372 | L | A | -0.7061 | |
| 373 | E | A | -1.5881 | |
| 374 | K | A | -2.3805 | |
| 375 | G | A | -2.0287 | |
| 376 | G | A | -2.0723 | |
| 377 | K | A | -2.7105 | |
| 378 | F | A | 0.0000 | |
| 379 | T | A | -1.0529 | |
| 380 | V | A | -1.3559 | |
| 381 | R | A | -2.8995 | |
| 382 | G | A | -2.9180 | |
| 383 | K | A | -2.4115 | |
| 384 | P | A | 0.0000 | |
| 385 | T | A | -0.9453 | |
| 386 | L | A | -1.2705 | |
| 387 | E | A | -2.3428 | |
| 388 | D | A | 0.0000 | |
| 389 | L | A | 0.0000 | |
| 390 | E | A | -3.2330 | |
| 391 | N | A | -2.4226 | |
| 392 | F | A | 0.0000 | |
| 393 | S | A | -2.8511 | |
| 394 | E | A | -3.0987 | |
| 395 | K | A | -2.7477 | |
| 396 | F | A | 0.0000 | |
| 397 | R | A | -2.1482 | |
| 398 | C | A | 0.0000 | |
| 399 | S | A | 0.0000 | |
| 400 | C | A | -0.5834 | |
| 401 | Y | A | 0.0000 | |
| 402 | S | A | 0.0000 | |
| 403 | T | A | -0.1143 | |
| 404 | L | A | 0.1484 | |
| 405 | S | A | -0.3118 | |
| 406 | C | A | -1.3284 | |
| 407 | K | A | -2.3554 | |
| 408 | E | A | -2.4512 | |
| 409 | K | A | -2.5908 | |
| 410 | A | A | -2.2734 | |
| 411 | D | A | -3.1237 | |
| 412 | V | A | 0.0000 | |
| 413 | K | A | -3.6048 | |
| 414 | D | A | -3.5010 | |
| 415 | V | A | -2.2983 | |
| 416 | D | A | -2.4816 | |
| 417 | H | A | -1.9899 | |
| 418 | V | A | 0.0000 | |
| 419 | D | A | -2.1092 | |
| 420 | V | A | 0.0000 | |
| 421 | C | A | -0.6011 | |
| 422 | I | A | -0.2677 | |
| 423 | A | A | -0.7379 | |
| 424 | D | A | -2.1710 | |
| 425 | G | A | -1.3500 | |
| 426 | V | A | 0.0000 | |
| 427 | C | A | -0.8308 | |
| 428 | I | A | 0.0000 | |
| 429 | H | A | -1.9737 | |
| 430 | A | A | 0.0000 | |
| 431 | L | A | 0.0580 |
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