| Chain sequence(s) |
A: FRAPPVIPNVPFLWAWNAPSEFCLGKFDVPLDMSLFSFIGSPRINATGQGVTIFYKDRLGYYPYIDLKTDSNSNGGIPQKISLQKHLDKAKKDISFYMPVDNLGLAVIDWEEWRPTWARNWKPKDVYRNKSIELVQQQNVQLSLTEATKKAKEEFEKAGKDFLVETIKLGKSLRPNHLWGYYLFPDCYNHHYKTPGYNGSCFNVEIKRNDDLSWLWNESTALYPSIYLNTQMSPSAATLFVRNRVREAIRVSKIPDAKSPLPVFAYTRLVFTDEVLKFLSQDELVYTFGETVALGASGIVIWGSWENTRSKESCQRIKEYMDTTLNPYIINVTLAAKMCSQVLCQEQGVCIRKNWNSSDYLHLNPKNFEIVLEKGGKFTVRGKPTLEDLENFSEKFRCSCYSTLSCKEKADVKDTDHVDVCIADGVCIHAL
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 (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:10:23)
[INFO] Main: Simulation completed successfully. (00:10:26)
|
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 | 0.8814 | |
| 2 | R | A | 0.1535 | |
| 3 | A | A | -0.0573 | |
| 4 | P | A | 0.1088 | |
| 5 | P | A | -0.1035 | |
| 6 | V | A | 0.4229 | |
| 7 | I | A | 0.2529 | |
| 8 | P | A | -0.5056 | |
| 9 | N | A | -1.3268 | |
| 10 | V | A | -0.0853 | |
| 11 | P | A | -0.4780 | |
| 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 | 0.0000 | |
| 21 | E | A | -1.1509 | |
| 22 | F | A | -1.1293 | |
| 23 | C | A | 0.0000 | |
| 24 | L | A | -0.8205 | |
| 25 | G | A | -1.4244 | |
| 26 | K | A | -2.3800 | |
| 27 | F | A | -2.2687 | |
| 28 | D | A | -2.1746 | |
| 29 | V | A | 0.0000 | |
| 30 | P | A | -0.7787 | |
| 31 | L | A | 0.0000 | |
| 32 | D | A | -0.9393 | |
| 33 | M | A | -0.0415 | |
| 34 | S | A | -0.7036 | |
| 35 | L | A | 0.0000 | |
| 36 | F | A | 0.0000 | |
| 37 | S | A | 0.2122 | |
| 38 | F | A | 0.0000 | |
| 39 | I | A | 0.8635 | |
| 40 | G | A | 0.0000 | |
| 41 | S | A | 0.0000 | |
| 42 | P | A | -0.2306 | |
| 43 | R | A | -0.5724 | |
| 44 | I | A | 0.3628 | |
| 45 | N | A | -0.6149 | |
| 46 | A | A | -0.4480 | |
| 47 | T | A | -0.0866 | |
| 48 | G | A | -0.3331 | |
| 49 | Q | A | -0.2286 | |
| 50 | G | A | -0.1088 | |
| 51 | V | A | 0.0000 | |
| 52 | T | A | 0.0000 | |
| 53 | I | A | 0.0000 | |
| 54 | F | A | 0.0000 | |
| 55 | Y | A | -0.7099 | |
| 56 | K | A | -1.5270 | |
| 57 | D | A | -1.8206 | |
| 58 | R | A | -0.7259 | |
| 59 | L | A | 0.0000 | |
| 60 | G | A | 0.0000 | |
| 61 | Y | A | -0.6983 | |
| 62 | Y | A | 0.0000 | |
| 63 | P | A | 0.0000 | |
| 64 | Y | A | -0.9298 | |
| 65 | I | A | 0.0000 | |
| 66 | D | A | -1.5125 | |
| 67 | L | A | -0.7830 | |
| 68 | K | A | -1.8819 | |
| 69 | T | A | -1.8004 | |
| 70 | D | A | -2.4273 | |
| 71 | S | A | -1.9433 | |
| 72 | N | A | -1.9093 | |
| 73 | S | A | -1.4240 | |
| 74 | N | A | -1.0148 | |
| 75 | G | A | -1.2247 | |
| 76 | G | A | 0.0000 | |
| 77 | I | A | 0.0000 | |
| 78 | P | A | 0.0000 | |
| 79 | Q | A | -1.3213 | |
| 80 | K | A | -1.6551 | |
| 81 | I | A | -1.0844 | |
| 82 | S | A | -1.1504 | |
| 83 | L | A | -1.3646 | |
| 84 | Q | A | -2.1841 | |
| 85 | K | A | -2.4474 | |
| 86 | H | A | 0.0000 | |
| 87 | L | A | -1.9926 | |
| 88 | D | A | -2.8400 | |
| 89 | K | A | -2.4079 | |
| 90 | A | A | 0.0000 | |
| 91 | K | A | -2.3138 | |
| 92 | K | A | -2.3942 | |
| 93 | D | A | -1.4054 | |
| 94 | I | A | 0.0000 | |
| 95 | S | A | -0.3092 | |
| 96 | F | A | 0.6563 | |
| 97 | Y | A | 0.0000 | |
| 98 | M | A | 0.0000 | |
| 99 | P | A | 0.5102 | |
| 100 | V | A | 0.9340 | |
| 101 | D | A | -0.7844 | |
| 102 | N | A | -1.3652 | |
| 103 | L | A | -0.4852 | |
| 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 | -0.6364 | |
| 110 | W | A | 0.0000 | |
| 111 | E | A | -1.1317 | |
| 112 | E | A | -0.7999 | |
| 113 | W | A | 0.0000 | |
| 114 | R | A | 0.0000 | |
| 115 | P | A | 0.0000 | |
| 116 | T | A | -0.8043 | |
| 117 | W | A | 0.0000 | |
| 118 | A | A | -0.1464 | |
| 119 | R | A | 0.0000 | |
| 120 | N | A | 0.0000 | |
| 121 | W | A | -0.5944 | |
| 122 | K | A | -1.7620 | |
| 123 | P | A | -1.1310 | |
| 124 | K | A | -1.1435 | |
| 125 | D | A | -1.4468 | |
| 126 | V | A | -1.2097 | |
| 127 | Y | A | 0.0000 | |
| 128 | R | A | -1.6364 | |
| 129 | N | A | -2.1365 | |
| 130 | K | A | -1.9127 | |
| 131 | S | A | 0.0000 | |
| 132 | I | A | -1.8436 | |
| 133 | E | A | -1.7273 | |
| 134 | L | A | -1.5941 | |
| 135 | V | A | 0.0000 | |
| 136 | Q | A | -1.3927 | |
| 137 | Q | A | -1.8529 | |
| 138 | Q | A | -1.8961 | |
| 139 | N | A | -1.2090 | |
| 140 | V | A | 0.2591 | |
| 141 | Q | A | -0.7461 | |
| 142 | L | A | -0.4496 | |
| 143 | S | A | 0.0075 | |
| 144 | L | A | 0.7041 | |
| 145 | T | A | -0.4733 | |
| 146 | E | A | -1.8557 | |
| 147 | A | A | 0.0000 | |
| 148 | T | A | -2.0163 | |
| 149 | K | A | -3.1838 | |
| 150 | K | A | -2.9944 | |
| 151 | A | A | 0.0000 | |
| 152 | K | A | -3.3328 | |
| 153 | E | A | -3.8996 | |
| 154 | E | A | -3.1467 | |
| 155 | F | A | 0.0000 | |
| 156 | E | A | -2.6600 | |
| 157 | K | A | -3.3730 | |
| 158 | A | A | -2.3426 | |
| 159 | G | A | 0.0000 | |
| 160 | K | A | -2.1352 | |
| 161 | D | A | -2.1733 | |
| 162 | F | A | 0.0000 | |
| 163 | L | A | 0.0000 | |
| 164 | V | A | -1.1843 | |
| 165 | E | A | -1.5322 | |
| 166 | T | A | 0.0000 | |
| 167 | I | A | 0.0000 | |
| 168 | K | A | -1.2569 | |
| 169 | L | A | -0.9412 | |
| 170 | G | A | 0.0000 | |
| 171 | K | A | -1.0726 | |
| 172 | S | A | -0.8028 | |
| 173 | L | A | -0.4377 | |
| 174 | R | A | -0.8972 | |
| 175 | P | A | -1.3485 | |
| 176 | N | A | -1.6053 | |
| 177 | H | A | 0.0000 | |
| 178 | L | A | -0.0911 | |
| 179 | W | A | 0.0000 | |
| 180 | G | A | 0.0000 | |
| 181 | Y | A | 0.0000 | |
| 182 | Y | A | 0.0506 | |
| 183 | L | A | 0.0662 | |
| 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 | -1.3325 | |
| 191 | H | A | -1.8953 | |
| 192 | Y | A | -1.7004 | |
| 193 | K | A | -2.2818 | |
| 194 | T | A | -1.5099 | |
| 195 | P | A | -1.0999 | |
| 196 | G | A | -1.0383 | |
| 197 | Y | A | -1.3054 | |
| 198 | N | A | -1.4154 | |
| 199 | G | A | 0.0000 | |
| 200 | S | A | -0.5461 | |
| 201 | C | A | 0.0000 | |
| 202 | F | A | 0.5373 | |
| 203 | N | A | -0.6463 | |
| 204 | V | A | 0.1404 | |
| 205 | E | A | 0.0000 | |
| 206 | I | A | -0.7681 | |
| 207 | K | A | -2.1020 | |
| 208 | R | A | -1.6153 | |
| 209 | N | A | 0.0000 | |
| 210 | D | A | -1.7186 | |
| 211 | D | A | -2.4692 | |
| 212 | L | A | 0.0000 | |
| 213 | S | A | -0.9398 | |
| 214 | W | A | -0.6843 | |
| 215 | L | A | 0.0000 | |
| 216 | W | A | 0.0000 | |
| 217 | N | A | -1.4751 | |
| 218 | E | A | -1.1372 | |
| 219 | S | A | 0.0000 | |
| 220 | T | A | -0.4012 | |
| 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 | 0.1147 | |
| 228 | L | A | 0.0000 | |
| 229 | N | A | -0.9204 | |
| 230 | T | A | -1.2385 | |
| 231 | Q | A | -1.4851 | |
| 232 | M | A | -1.0314 | |
| 233 | S | A | -0.7140 | |
| 234 | P | A | -0.7640 | |
| 235 | S | A | -0.3990 | |
| 236 | A | A | 0.0000 | |
| 237 | A | A | 0.0000 | |
| 238 | T | A | -0.4272 | |
| 239 | L | A | -0.2724 | |
| 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 | -0.5823 | |
| 247 | E | A | 0.0000 | |
| 248 | A | A | 0.0000 | |
| 249 | I | A | -0.4255 | |
| 250 | R | A | -0.7530 | |
| 251 | V | A | 0.0000 | |
| 252 | S | A | 0.0000 | |
| 253 | K | A | -1.4260 | |
| 254 | I | A | -0.8014 | |
| 255 | P | A | -1.3183 | |
| 256 | D | A | -2.0775 | |
| 257 | A | A | -1.4258 | |
| 258 | K | A | -1.8718 | |
| 259 | S | A | -1.2020 | |
| 260 | P | A | 0.0000 | |
| 261 | L | A | -0.5769 | |
| 262 | P | A | -0.0147 | |
| 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 | -0.0061 | |
| 269 | L | A | 0.0000 | |
| 270 | V | A | 0.0000 | |
| 271 | F | A | 0.0000 | |
| 272 | T | A | -0.9778 | |
| 273 | D | A | -1.9755 | |
| 274 | E | A | -1.6662 | |
| 275 | V | A | -0.6961 | |
| 276 | L | A | -0.5901 | |
| 277 | K | A | -1.1483 | |
| 278 | F | A | -0.6028 | |
| 279 | L | A | 0.0000 | |
| 280 | S | A | -1.4698 | |
| 281 | Q | A | -2.0946 | |
| 282 | D | A | -2.4729 | |
| 283 | E | A | -1.4760 | |
| 284 | L | A | 0.0000 | |
| 285 | V | A | -0.8190 | |
| 286 | Y | A | -0.5235 | |
| 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 | 0.0671 | |
| 298 | G | A | 0.0000 | |
| 299 | I | A | 0.0000 | |
| 300 | V | A | 0.0000 | |
| 301 | I | A | 0.0000 | |
| 302 | W | A | 0.1017 | |
| 303 | G | A | -0.0078 | |
| 304 | S | A | -0.3016 | |
| 305 | W | A | -0.4014 | |
| 306 | E | A | -0.8935 | |
| 307 | N | A | 0.0000 | |
| 308 | T | A | 0.0000 | |
| 309 | R | A | -2.0228 | |
| 310 | S | A | -2.3424 | |
| 311 | K | A | -3.2284 | |
| 312 | E | A | -3.4496 | |
| 313 | S | A | -2.7465 | |
| 314 | C | A | 0.0000 | |
| 315 | Q | A | -3.7438 | |
| 316 | R | A | -3.3661 | |
| 317 | I | A | 0.0000 | |
| 318 | K | A | -2.7951 | |
| 319 | E | A | -3.0762 | |
| 320 | Y | A | 0.0000 | |
| 321 | M | A | 0.0000 | |
| 322 | D | A | -1.5693 | |
| 323 | T | A | -0.8785 | |
| 324 | T | A | -0.8231 | |
| 325 | L | A | 0.0000 | |
| 326 | N | A | 0.0000 | |
| 327 | P | A | -0.2623 | |
| 328 | Y | A | 0.0000 | |
| 329 | I | A | 0.0000 | |
| 330 | I | A | 0.0000 | |
| 331 | N | A | -0.4866 | |
| 332 | V | A | 0.0000 | |
| 333 | T | A | 0.0000 | |
| 334 | L | A | 0.0000 | |
| 335 | A | A | 0.0000 | |
| 336 | A | A | -0.1178 | |
| 337 | K | A | -0.8839 | |
| 338 | M | A | 0.0000 | |
| 339 | C | A | 0.0000 | |
| 340 | S | A | 0.0000 | |
| 341 | Q | A | -1.7684 | |
| 342 | V | A | 0.0000 | |
| 343 | L | A | 0.0000 | |
| 344 | C | A | 0.0000 | |
| 345 | Q | A | -2.4966 | |
| 346 | E | A | -2.6455 | |
| 347 | Q | A | -1.7440 | |
| 348 | G | A | 0.0000 | |
| 349 | V | A | -0.3811 | |
| 350 | C | A | 0.0000 | |
| 351 | I | A | -0.6180 | |
| 352 | R | A | 0.0000 | |
| 353 | K | A | -3.0503 | |
| 354 | N | A | -2.3504 | |
| 355 | W | A | -0.9889 | |
| 356 | N | A | -1.2971 | |
| 357 | S | A | -1.2270 | |
| 358 | S | A | -0.6919 | |
| 359 | D | A | -1.1161 | |
| 360 | Y | A | -0.1598 | |
| 361 | L | A | 0.0000 | |
| 362 | H | A | -0.5098 | |
| 363 | L | A | 0.0000 | |
| 364 | N | A | -2.0484 | |
| 365 | P | A | -1.8875 | |
| 366 | K | A | -2.4278 | |
| 367 | N | A | -2.4319 | |
| 368 | F | A | 0.0000 | |
| 369 | E | A | -2.6294 | |
| 370 | I | A | -0.5929 | |
| 371 | V | A | -0.4643 | |
| 372 | L | A | -0.5855 | |
| 373 | E | A | -1.4662 | |
| 374 | K | A | -2.3255 | |
| 375 | G | A | -1.9363 | |
| 376 | G | A | -1.8856 | |
| 377 | K | A | -2.6187 | |
| 378 | F | A | 0.0000 | |
| 379 | T | A | -0.9368 | |
| 380 | V | A | -1.1136 | |
| 381 | R | A | -2.3195 | |
| 382 | G | A | -2.7374 | |
| 383 | K | A | -2.3735 | |
| 384 | P | A | 0.0000 | |
| 385 | T | A | -0.8453 | |
| 386 | L | A | -0.9617 | |
| 387 | E | A | -2.1308 | |
| 388 | D | A | -1.5692 | |
| 389 | L | A | 0.0000 | |
| 390 | E | A | -2.5937 | |
| 391 | N | A | -2.3482 | |
| 392 | F | A | 0.0000 | |
| 393 | S | A | -2.6591 | |
| 394 | E | A | -3.0553 | |
| 395 | K | A | -2.8025 | |
| 396 | F | A | 0.0000 | |
| 397 | R | A | -2.3155 | |
| 398 | C | A | 0.0000 | |
| 399 | S | A | 0.0000 | |
| 400 | C | A | -0.2601 | |
| 401 | Y | A | 0.0000 | |
| 402 | S | A | 0.0000 | |
| 403 | T | A | 0.0851 | |
| 404 | L | A | 0.3034 | |
| 405 | S | A | -0.1127 | |
| 406 | C | A | -1.2650 | |
| 407 | K | A | -2.3160 | |
| 408 | E | A | -2.4133 | |
| 409 | K | A | -2.2840 | |
| 410 | A | A | -2.0833 | |
| 411 | D | A | -2.6458 | |
| 412 | V | A | 0.0000 | |
| 413 | K | A | -3.3974 | |
| 414 | D | A | -3.4980 | |
| 415 | T | A | -2.5094 | |
| 416 | D | A | -2.6376 | |
| 417 | H | A | -2.0646 | |
| 418 | V | A | 0.0000 | |
| 419 | D | A | -2.0350 | |
| 420 | V | A | 0.0000 | |
| 421 | C | A | -0.6003 | |
| 422 | I | A | -0.1183 | |
| 423 | A | A | -0.7841 | |
| 424 | D | A | -2.1118 | |
| 425 | G | A | -1.4526 | |
| 426 | V | A | 0.0000 | |
| 427 | C | A | -0.8779 | |
| 428 | I | A | 0.0000 | |
| 429 | H | A | -1.9309 | |
| 430 | A | A | -1.2582 | |
| 431 | L | A | -0.0022 |
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