| Chain sequence(s) |
A: FRAPPVIPNVPFLWAWNAPSEQCLGKFDVPLDLSLFSFIGSPRINATGQGVTIFYKDRLGYYPYIDLKTGVSVNGGIPQKISLQKHLDKAKKDISFYMPVDNLGLAVIDWEEWRPTWARNWKPKDVYRNKSIELVQQQNVQLSLTEATKKAKEEFEKAGKDFLVETIKLGKSLRPNHLWGYYLFPDCYNHHYKKPGYNGSCFNVEIKRNDDLSWLWNESTALYPSIYLNTQMSPSAATLFVRNRVREAIRVSKIPDAKSPLPVFAYTRLVFTDEVLKFLSQDELVYTFGETVALGASGIVIWGSWENTRSKESCQRIKEYMDTTLNPYIINVTLAAKMCSQVLCQEQGVCIRKNWNSSDYLHLNPKNFEIVLEKGGKFTVRGKPTLEDLENFSEKFRCSCYSTLSCKEKVDVKDTDHVDVQTADGVKLHAL
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 (00:08:20)
[INFO] Main: Simulation completed successfully. (00:08:23)
|
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 | 0.3648 | |
| 2 | R | A | -0.1468 | |
| 3 | A | A | -0.2167 | |
| 4 | P | A | -0.0344 | |
| 5 | P | A | -0.1790 | |
| 6 | V | A | 0.3927 | |
| 7 | I | A | 0.2186 | |
| 8 | P | A | -0.5541 | |
| 9 | N | A | -1.5935 | |
| 10 | V | A | -0.3833 | |
| 11 | P | A | -0.5821 | |
| 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 | -0.9760 | |
| 22 | Q | A | -1.5697 | |
| 23 | C | A | 0.0000 | |
| 24 | L | A | -0.3060 | |
| 25 | G | A | -1.2663 | |
| 26 | K | A | -2.4291 | |
| 27 | F | A | -2.2105 | |
| 28 | D | A | -1.9816 | |
| 29 | V | A | 0.0000 | |
| 30 | P | A | -0.4937 | |
| 31 | L | A | -0.6394 | |
| 32 | D | A | -0.5624 | |
| 33 | L | A | 0.1306 | |
| 34 | S | A | -0.2085 | |
| 35 | L | A | 0.0000 | |
| 36 | F | A | 0.0000 | |
| 37 | S | A | 0.2228 | |
| 38 | F | A | 0.0000 | |
| 39 | I | A | 0.9337 | |
| 40 | G | A | 0.0000 | |
| 41 | S | A | 0.0000 | |
| 42 | P | A | 0.0000 | |
| 43 | R | A | -0.2859 | |
| 44 | I | A | 0.6357 | |
| 45 | N | A | -0.4610 | |
| 46 | A | A | -0.2894 | |
| 47 | T | A | -0.0044 | |
| 48 | G | A | -0.3003 | |
| 49 | Q | A | -0.1606 | |
| 50 | G | A | -0.0617 | |
| 51 | V | A | 0.0000 | |
| 52 | T | A | 0.0000 | |
| 53 | I | A | 0.0000 | |
| 54 | F | A | 0.0000 | |
| 55 | Y | A | -0.6432 | |
| 56 | K | A | -1.5014 | |
| 57 | D | A | -1.6998 | |
| 58 | R | A | 0.0000 | |
| 59 | L | A | 0.0000 | |
| 60 | G | A | 0.0000 | |
| 61 | Y | A | -0.4530 | |
| 62 | Y | A | 0.0000 | |
| 63 | P | A | 0.0000 | |
| 64 | Y | A | 0.1786 | |
| 65 | I | A | 0.0000 | |
| 66 | D | A | 0.0810 | |
| 67 | L | A | 0.0478 | |
| 68 | K | A | -1.2266 | |
| 69 | T | A | -0.3880 | |
| 70 | G | A | 0.1371 | |
| 71 | V | A | 1.2913 | |
| 72 | S | A | 0.5960 | |
| 73 | V | A | 0.4184 | |
| 74 | N | A | -0.2579 | |
| 75 | G | A | -0.6527 | |
| 76 | G | A | 0.0000 | |
| 77 | I | A | 0.0000 | |
| 78 | P | A | 0.0000 | |
| 79 | Q | A | -1.6903 | |
| 80 | K | A | -1.7768 | |
| 81 | I | A | -1.0881 | |
| 82 | S | A | -1.2010 | |
| 83 | L | A | -1.3712 | |
| 84 | Q | A | -2.2804 | |
| 85 | K | A | -2.5577 | |
| 86 | H | A | 0.0000 | |
| 87 | L | A | -2.1384 | |
| 88 | D | A | -3.0605 | |
| 89 | K | A | -2.5763 | |
| 90 | A | A | 0.0000 | |
| 91 | K | A | -2.6492 | |
| 92 | K | A | -2.5805 | |
| 93 | D | A | -1.4413 | |
| 94 | I | A | 0.0000 | |
| 95 | S | A | -0.3736 | |
| 96 | F | A | 0.6771 | |
| 97 | Y | A | 0.0000 | |
| 98 | M | A | 0.0000 | |
| 99 | P | A | 0.3655 | |
| 100 | V | A | 0.9546 | |
| 101 | D | A | -0.7630 | |
| 102 | N | A | -1.3258 | |
| 103 | L | A | -0.4241 | |
| 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 | -0.6025 | |
| 110 | W | A | 0.0000 | |
| 111 | E | A | -0.9941 | |
| 112 | E | A | -0.7059 | |
| 113 | W | A | 0.0000 | |
| 114 | R | A | 0.0000 | |
| 115 | P | A | 0.0000 | |
| 116 | T | A | -0.8106 | |
| 117 | W | A | 0.0000 | |
| 118 | A | A | -0.0997 | |
| 119 | R | A | 0.0000 | |
| 120 | N | A | 0.0000 | |
| 121 | W | A | -0.4062 | |
| 122 | K | A | -1.6726 | |
| 123 | P | A | -1.0859 | |
| 124 | K | A | -1.0151 | |
| 125 | D | A | -1.1585 | |
| 126 | V | A | -0.7672 | |
| 127 | Y | A | 0.0000 | |
| 128 | R | A | -1.3076 | |
| 129 | N | A | -1.7372 | |
| 130 | K | A | -1.6681 | |
| 131 | S | A | 0.0000 | |
| 132 | I | A | -1.9819 | |
| 133 | E | A | -2.3239 | |
| 134 | L | A | -1.8544 | |
| 135 | V | A | -1.6481 | |
| 136 | Q | A | -1.5231 | |
| 137 | Q | A | -2.0403 | |
| 138 | Q | A | -1.9542 | |
| 139 | N | A | -1.2284 | |
| 140 | V | A | 0.2115 | |
| 141 | Q | A | -0.7220 | |
| 142 | L | A | -0.3761 | |
| 143 | S | A | 0.1073 | |
| 144 | L | A | 0.7257 | |
| 145 | T | A | -0.3162 | |
| 146 | E | A | -1.4889 | |
| 147 | A | A | 0.0000 | |
| 148 | T | A | -1.9954 | |
| 149 | K | A | -3.1679 | |
| 150 | K | A | -3.1405 | |
| 151 | A | A | 0.0000 | |
| 152 | K | A | -3.5074 | |
| 153 | E | A | -4.3027 | |
| 154 | E | A | -3.9282 | |
| 155 | F | A | 0.0000 | |
| 156 | E | A | -2.9216 | |
| 157 | K | A | -3.6919 | |
| 158 | A | A | -2.6122 | |
| 159 | G | A | 0.0000 | |
| 160 | K | A | -2.3073 | |
| 161 | D | A | -2.3755 | |
| 162 | F | A | 0.0000 | |
| 163 | L | A | 0.0000 | |
| 164 | V | A | -1.2518 | |
| 165 | E | A | -1.5704 | |
| 166 | T | A | 0.0000 | |
| 167 | I | A | 0.0000 | |
| 168 | K | A | -1.1597 | |
| 169 | L | A | -0.9367 | |
| 170 | G | A | 0.0000 | |
| 171 | K | A | -1.0368 | |
| 172 | S | A | -0.8051 | |
| 173 | L | A | -0.4912 | |
| 174 | R | A | -0.8760 | |
| 175 | P | A | -1.3194 | |
| 176 | N | A | -1.5673 | |
| 177 | H | A | 0.0000 | |
| 178 | L | A | -0.0737 | |
| 179 | W | A | 0.0000 | |
| 180 | G | A | 0.0000 | |
| 181 | Y | A | 0.0000 | |
| 182 | Y | A | 0.0488 | |
| 183 | L | A | 0.0811 | |
| 184 | F | A | 0.0000 | |
| 185 | P | A | 0.0000 | |
| 186 | D | A | 0.0000 | |
| 187 | C | A | 0.0000 | |
| 188 | Y | A | 0.0339 | |
| 189 | N | A | 0.0000 | |
| 190 | H | A | -1.5566 | |
| 191 | H | A | -2.0990 | |
| 192 | Y | A | -2.1481 | |
| 193 | K | A | -3.0376 | |
| 194 | K | A | -3.0545 | |
| 195 | P | A | -1.8272 | |
| 196 | G | A | -1.5100 | |
| 197 | Y | A | -1.7431 | |
| 198 | N | A | -1.5479 | |
| 199 | G | A | 0.0000 | |
| 200 | S | A | -0.5160 | |
| 201 | C | A | -0.0360 | |
| 202 | F | A | 0.7123 | |
| 203 | N | A | -0.5921 | |
| 204 | V | A | 0.2024 | |
| 205 | E | A | 0.0000 | |
| 206 | I | A | -0.7985 | |
| 207 | K | A | -2.1217 | |
| 208 | R | A | -1.6196 | |
| 209 | N | A | 0.0000 | |
| 210 | D | A | -1.7591 | |
| 211 | D | A | -2.4920 | |
| 212 | L | A | 0.0000 | |
| 213 | S | A | -1.0359 | |
| 214 | W | A | -0.8586 | |
| 215 | L | A | 0.0000 | |
| 216 | W | A | 0.0000 | |
| 217 | N | A | -1.4974 | |
| 218 | E | A | -1.1373 | |
| 219 | S | A | 0.0000 | |
| 220 | T | A | -0.3976 | |
| 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 | 0.1040 | |
| 228 | L | A | 0.0000 | |
| 229 | N | A | -1.0490 | |
| 230 | T | A | -1.4316 | |
| 231 | Q | A | -1.7441 | |
| 232 | M | A | -1.1174 | |
| 233 | S | A | -0.7807 | |
| 234 | P | A | -0.7976 | |
| 235 | S | A | -0.4057 | |
| 236 | A | A | 0.0000 | |
| 237 | A | A | 0.0000 | |
| 238 | T | A | -0.4428 | |
| 239 | L | A | -0.2839 | |
| 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 | -1.3160 | |
| 247 | E | A | 0.0000 | |
| 248 | A | A | 0.0000 | |
| 249 | I | A | 0.0000 | |
| 250 | R | A | -0.9973 | |
| 251 | V | A | 0.0000 | |
| 252 | S | A | 0.0000 | |
| 253 | K | A | -1.5246 | |
| 254 | I | A | -0.8406 | |
| 255 | P | A | -1.3647 | |
| 256 | D | A | -2.1721 | |
| 257 | A | A | -1.5426 | |
| 258 | K | A | -2.0241 | |
| 259 | S | A | -1.3638 | |
| 260 | P | A | 0.0000 | |
| 261 | L | A | -0.6215 | |
| 262 | P | A | -0.0452 | |
| 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 | 0.0078 | |
| 269 | L | A | 0.0000 | |
| 270 | V | A | 0.0000 | |
| 271 | F | A | 0.0000 | |
| 272 | T | A | -0.9595 | |
| 273 | D | A | -2.0713 | |
| 274 | E | A | -1.6972 | |
| 275 | V | A | -0.4059 | |
| 276 | L | A | -0.1738 | |
| 277 | K | A | -0.9547 | |
| 278 | F | A | -0.5078 | |
| 279 | L | A | 0.0000 | |
| 280 | S | A | -1.5233 | |
| 281 | Q | A | -2.1711 | |
| 282 | D | A | -2.5238 | |
| 283 | E | A | -1.5378 | |
| 284 | L | A | 0.0000 | |
| 285 | V | A | -0.8420 | |
| 286 | Y | A | -0.5411 | |
| 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 | 0.0036 | |
| 298 | G | A | 0.0000 | |
| 299 | I | A | 0.0000 | |
| 300 | V | A | 0.0000 | |
| 301 | I | A | 0.0000 | |
| 302 | W | A | 0.0703 | |
| 303 | G | A | -0.0493 | |
| 304 | S | A | -0.3965 | |
| 305 | W | A | -0.7600 | |
| 306 | E | A | -1.1523 | |
| 307 | N | A | -1.0848 | |
| 308 | T | A | 0.0000 | |
| 309 | R | A | -2.8053 | |
| 310 | S | A | -2.6180 | |
| 311 | K | A | -3.3373 | |
| 312 | E | A | -3.5172 | |
| 313 | S | A | -2.8952 | |
| 314 | C | A | 0.0000 | |
| 315 | Q | A | -3.6349 | |
| 316 | R | A | -3.3452 | |
| 317 | I | A | 0.0000 | |
| 318 | K | A | -2.5747 | |
| 319 | E | A | -2.9718 | |
| 320 | Y | A | 0.0000 | |
| 321 | M | A | 0.0000 | |
| 322 | D | A | -1.3188 | |
| 323 | T | A | -0.8122 | |
| 324 | T | A | -0.8026 | |
| 325 | L | A | 0.0000 | |
| 326 | N | A | 0.0000 | |
| 327 | P | A | -0.2083 | |
| 328 | Y | A | 0.0000 | |
| 329 | I | A | 0.0000 | |
| 330 | I | A | 0.0000 | |
| 331 | N | A | -0.4205 | |
| 332 | V | A | 0.0000 | |
| 333 | T | A | 0.0000 | |
| 334 | L | A | 0.0000 | |
| 335 | A | A | 0.0000 | |
| 336 | A | A | 0.0000 | |
| 337 | K | A | -1.0656 | |
| 338 | M | A | 0.0000 | |
| 339 | C | A | 0.0000 | |
| 340 | S | A | 0.0000 | |
| 341 | Q | A | -1.6863 | |
| 342 | V | A | 0.0000 | |
| 343 | L | A | 0.0000 | |
| 344 | C | A | 0.0000 | |
| 345 | Q | A | -2.4108 | |
| 346 | E | A | -2.7096 | |
| 347 | Q | A | -1.8871 | |
| 348 | G | A | 0.0000 | |
| 349 | V | A | 0.0000 | |
| 350 | C | A | 0.0000 | |
| 351 | I | A | -0.6998 | |
| 352 | R | A | 0.0000 | |
| 353 | K | A | -3.0735 | |
| 354 | N | A | -2.4899 | |
| 355 | W | A | -1.4065 | |
| 356 | N | A | -1.5064 | |
| 357 | S | A | -1.3254 | |
| 358 | S | A | -0.7157 | |
| 359 | D | A | -1.0629 | |
| 360 | Y | A | -0.1159 | |
| 361 | L | A | 0.0000 | |
| 362 | H | A | -0.3699 | |
| 363 | L | A | 0.0000 | |
| 364 | N | A | -1.7776 | |
| 365 | P | A | -1.8059 | |
| 366 | K | A | -2.5651 | |
| 367 | N | A | -2.4329 | |
| 368 | F | A | 0.0000 | |
| 369 | E | A | -2.6046 | |
| 370 | I | A | -0.5489 | |
| 371 | V | A | -0.2477 | |
| 372 | L | A | -0.3222 | |
| 373 | E | A | -1.2794 | |
| 374 | K | A | -2.2102 | |
| 375 | G | A | -1.7680 | |
| 376 | G | A | -1.5978 | |
| 377 | K | A | -1.4909 | |
| 378 | F | A | 0.0000 | |
| 379 | T | A | -0.7435 | |
| 380 | V | A | -1.4961 | |
| 381 | R | A | -2.6041 | |
| 382 | G | A | -2.7175 | |
| 383 | K | A | -2.3167 | |
| 384 | P | A | 0.0000 | |
| 385 | T | A | -0.8316 | |
| 386 | L | A | -1.1620 | |
| 387 | E | A | -2.3768 | |
| 388 | D | A | 0.0000 | |
| 389 | L | A | 0.0000 | |
| 390 | E | A | -2.8321 | |
| 391 | N | A | -2.4433 | |
| 392 | F | A | 0.0000 | |
| 393 | S | A | -2.3187 | |
| 394 | E | A | -2.9049 | |
| 395 | K | A | -2.8680 | |
| 396 | F | A | 0.0000 | |
| 397 | R | A | -2.0388 | |
| 398 | C | A | 0.0000 | |
| 399 | S | A | 0.0000 | |
| 400 | C | A | -0.6217 | |
| 401 | Y | A | 0.0000 | |
| 402 | S | A | -0.3646 | |
| 403 | T | A | -0.0358 | |
| 404 | L | A | 0.3640 | |
| 405 | S | A | -0.2023 | |
| 406 | C | A | -1.2727 | |
| 407 | K | A | -2.0251 | |
| 408 | E | A | -1.7736 | |
| 409 | K | A | -1.2181 | |
| 410 | V | A | -0.2815 | |
| 411 | D | A | -1.8958 | |
| 412 | V | A | 0.0000 | |
| 413 | K | A | -3.3507 | |
| 414 | D | A | -3.5404 | |
| 415 | T | A | -2.4984 | |
| 416 | D | A | -2.6043 | |
| 417 | H | A | -1.9594 | |
| 418 | V | A | 0.0000 | |
| 419 | D | A | -2.1704 | |
| 420 | V | A | 0.0000 | |
| 421 | Q | A | -1.9049 | |
| 422 | T | A | 0.0000 | |
| 423 | A | A | -0.6011 | |
| 424 | D | A | -0.7774 | |
| 425 | G | A | -1.0319 | |
| 426 | V | A | 0.0000 | |
| 427 | K | A | -2.4261 | |
| 428 | L | A | 0.0000 | |
| 429 | H | A | -2.3035 | |
| 430 | A | A | -1.1925 | |
| 431 | L | A | 0.0723 |
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