| Chain sequence(s) |
A: MDAQIPLRRHLLSHESEHYAVIFDAGSTGSRVHVFRFDEKLGLLPIGNNIEYKMATEPGLSSYAEDPKAAANSLEPLLDGAEGVVPQELQSETPLELGATAGLRMLKGDAAEKILQAVRNLVKNQSTFHSKDQWVTILDGTQEGSYMWAAINYLLGNLGKDYKSTTATIDLGGGSVQMAYAISNEQFAKAPNNEDGEPYVQQKHLMSKDYNLYVHSYRNYGQLAGRAEIFKASRNESNPCALEGYDGYYSYGGVDYKVKAPKKGSSWKRCRRLTRHALKINAKCKIEECTFNGVWNGGGGDGQKNIHASSFFYDIGAQVGIVDTKFPSALAKPIQYLNAAKVACQTNVADIKSIFPKTQDRNIPYLCMDLIYEYTLLVDGFGLNPHKEITVIHDVQYKNYLVGAAWPLGCAIDLVSSTTNKKRKASS
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | LK330A |
| Energy difference between WT (input) and mutated protein (by FoldX) | -0.173181 kcal/mol |
| 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] FoldX: Building mutant model (00:03:39)
[INFO] FoldX: Starting FoldX energy minimalization (00:04:12)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:07:44)
[INFO] Main: Simulation completed successfully. (00:07:47)
|
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 | M | A | 0.0382 | |
| 2 | D | A | -1.4946 | |
| 3 | A | A | -0.8503 | |
| 4 | Q | A | -0.9581 | |
| 5 | I | A | -0.5829 | |
| 6 | P | A | -0.6794 | |
| 7 | L | A | 0.0915 | |
| 8 | R | A | -1.5871 | |
| 9 | R | A | -2.1014 | |
| 10 | H | A | -1.1975 | |
| 11 | L | A | -0.4331 | |
| 12 | L | A | -0.3971 | |
| 13 | S | A | -1.1924 | |
| 14 | H | A | -1.6477 | |
| 15 | E | A | -2.2773 | |
| 16 | S | A | -1.9371 | |
| 17 | E | A | -1.8719 | |
| 18 | H | A | -1.6999 | |
| 19 | Y | A | 0.0000 | |
| 20 | A | A | 0.0000 | |
| 21 | V | A | 0.0000 | |
| 22 | I | A | 0.0000 | |
| 23 | F | A | 0.0000 | |
| 24 | D | A | -0.4391 | |
| 25 | A | A | 0.0000 | |
| 26 | G | A | -0.6562 | |
| 27 | S | A | -0.6569 | |
| 28 | T | A | -0.7972 | |
| 29 | G | A | -1.2244 | |
| 30 | S | A | 0.0000 | |
| 31 | R | A | -1.1450 | |
| 32 | V | A | 0.0000 | |
| 33 | H | A | 0.0000 | |
| 34 | V | A | 0.0000 | |
| 35 | F | A | 0.0000 | |
| 36 | R | A | -0.3603 | |
| 37 | F | A | 0.0000 | |
| 38 | D | A | -2.3880 | |
| 39 | E | A | -3.3774 | |
| 40 | K | A | -2.8633 | |
| 41 | L | A | 0.0000 | |
| 42 | G | A | -1.1865 | |
| 43 | L | A | 0.0000 | |
| 44 | L | A | -0.1682 | |
| 45 | P | A | -0.6312 | |
| 46 | I | A | -0.6266 | |
| 47 | G | A | -1.2447 | |
| 48 | N | A | -2.0122 | |
| 49 | N | A | -2.0233 | |
| 50 | I | A | 0.0000 | |
| 51 | E | A | 0.0000 | |
| 52 | Y | A | -0.7824 | |
| 53 | K | A | -1.5726 | |
| 54 | M | A | -0.6369 | |
| 55 | A | A | -0.9090 | |
| 56 | T | A | -1.2038 | |
| 57 | E | A | -2.1345 | |
| 58 | P | A | -1.4471 | |
| 59 | G | A | 0.0000 | |
| 60 | L | A | 0.0000 | |
| 61 | S | A | -0.6172 | |
| 62 | S | A | -0.8717 | |
| 63 | Y | A | -1.2000 | |
| 64 | A | A | -1.9340 | |
| 65 | E | A | -2.7545 | |
| 66 | D | A | -2.8108 | |
| 67 | P | A | -2.7919 | |
| 68 | K | A | -3.0259 | |
| 69 | A | A | -1.8999 | |
| 70 | A | A | 0.0000 | |
| 71 | A | A | 0.0000 | |
| 72 | N | A | -2.1520 | |
| 73 | S | A | -1.6136 | |
| 74 | L | A | 0.0000 | |
| 75 | E | A | -2.3597 | |
| 76 | P | A | -1.6593 | |
| 77 | L | A | 0.0000 | |
| 78 | L | A | 0.0000 | |
| 79 | D | A | -2.5688 | |
| 80 | G | A | -1.4890 | |
| 81 | A | A | 0.0000 | |
| 82 | E | A | -1.3894 | |
| 83 | G | A | -1.1668 | |
| 84 | V | A | -0.4157 | |
| 85 | V | A | 0.0000 | |
| 86 | P | A | -1.2745 | |
| 87 | Q | A | -2.1742 | |
| 88 | E | A | -2.8760 | |
| 89 | L | A | -2.1318 | |
| 90 | Q | A | 0.0000 | |
| 91 | S | A | -1.7450 | |
| 92 | E | A | -2.2870 | |
| 93 | T | A | 0.0000 | |
| 94 | P | A | 0.0000 | |
| 95 | L | A | 0.0000 | |
| 96 | E | A | 0.0000 | |
| 97 | L | A | 0.0000 | |
| 98 | G | A | 0.0000 | |
| 99 | A | A | 0.0000 | |
| 100 | T | A | -0.5386 | |
| 101 | A | A | -0.8155 | |
| 102 | G | A | -0.4709 | |
| 103 | L | A | 0.0000 | |
| 104 | R | A | -1.9317 | |
| 105 | M | A | -0.3167 | |
| 106 | L | A | -1.4735 | |
| 107 | K | A | -2.2835 | |
| 108 | G | A | -2.5436 | |
| 109 | D | A | -3.4306 | |
| 110 | A | A | 0.0000 | |
| 111 | A | A | -2.5954 | |
| 112 | E | A | -3.1560 | |
| 113 | K | A | -3.7190 | |
| 114 | I | A | 0.0000 | |
| 115 | L | A | 0.0000 | |
| 116 | Q | A | -2.5067 | |
| 117 | A | A | 0.0000 | |
| 118 | V | A | 0.0000 | |
| 119 | R | A | -2.6466 | |
| 120 | N | A | -2.6059 | |
| 121 | L | A | 0.0000 | |
| 122 | V | A | 0.0000 | |
| 123 | K | A | -3.4696 | |
| 124 | N | A | -2.9506 | |
| 125 | Q | A | -2.8254 | |
| 126 | S | A | -2.0875 | |
| 127 | T | A | -1.5786 | |
| 128 | F | A | 0.0000 | |
| 129 | H | A | -1.4567 | |
| 130 | S | A | -1.9450 | |
| 131 | K | A | -2.6693 | |
| 132 | D | A | -3.3772 | |
| 133 | Q | A | -2.3760 | |
| 134 | W | A | -1.4061 | |
| 135 | V | A | 0.0000 | |
| 136 | T | A | -0.8708 | |
| 137 | I | A | -0.7000 | |
| 138 | L | A | 0.0000 | |
| 139 | D | A | -1.3034 | |
| 140 | G | A | -1.1988 | |
| 141 | T | A | -0.9773 | |
| 142 | Q | A | -0.9977 | |
| 143 | E | A | -0.9637 | |
| 144 | G | A | 0.0000 | |
| 145 | S | A | 0.0000 | |
| 146 | Y | A | 0.0000 | |
| 147 | M | A | 0.0000 | |
| 148 | W | A | 0.0000 | |
| 149 | A | A | 0.0000 | |
| 150 | A | A | 0.0000 | |
| 151 | I | A | 0.0000 | |
| 152 | N | A | 0.0000 | |
| 153 | Y | A | 0.0000 | |
| 154 | L | A | 0.0000 | |
| 155 | L | A | 0.0511 | |
| 156 | G | A | -0.3635 | |
| 157 | N | A | -0.9946 | |
| 158 | L | A | 0.0000 | |
| 159 | G | A | -1.8287 | |
| 160 | K | A | -2.9420 | |
| 161 | D | A | -2.7933 | |
| 162 | Y | A | -2.0443 | |
| 163 | K | A | -2.7364 | |
| 164 | S | A | -2.1165 | |
| 165 | T | A | 0.0000 | |
| 166 | T | A | 0.0000 | |
| 167 | A | A | 0.0000 | |
| 168 | T | A | 0.0000 | |
| 169 | I | A | 0.0000 | |
| 170 | D | A | -0.3150 | |
| 171 | L | A | 0.0000 | |
| 172 | G | A | -0.3925 | |
| 173 | G | A | -0.3547 | |
| 174 | G | A | -0.8044 | |
| 175 | S | A | -1.0706 | |
| 176 | V | A | 0.0000 | |
| 177 | Q | A | 0.0000 | |
| 178 | M | A | 0.0000 | |
| 179 | A | A | 0.0000 | |
| 180 | Y | A | 0.0000 | |
| 181 | A | A | 0.0000 | |
| 182 | I | A | 0.0000 | |
| 183 | S | A | -1.7189 | |
| 184 | N | A | -2.2850 | |
| 185 | E | A | -2.7909 | |
| 186 | Q | A | -1.9746 | |
| 187 | F | A | -1.3884 | |
| 188 | A | A | -1.5574 | |
| 189 | K | A | -2.5249 | |
| 190 | A | A | -1.3869 | |
| 191 | P | A | -1.6276 | |
| 192 | N | A | -2.5992 | |
| 193 | N | A | -2.8689 | |
| 194 | E | A | -3.5319 | |
| 195 | D | A | -3.6064 | |
| 196 | G | A | -2.9885 | |
| 197 | E | A | -2.9476 | |
| 198 | P | A | -2.0737 | |
| 199 | Y | A | 0.0000 | |
| 200 | V | A | 0.0000 | |
| 201 | Q | A | -1.1666 | |
| 202 | Q | A | -1.8725 | |
| 203 | K | A | -1.8081 | |
| 204 | H | A | -1.8298 | |
| 205 | L | A | 0.0000 | |
| 206 | M | A | -1.1715 | |
| 207 | S | A | -1.4755 | |
| 208 | K | A | -2.3824 | |
| 209 | D | A | -2.9762 | |
| 210 | Y | A | 0.0000 | |
| 211 | N | A | 0.0000 | |
| 212 | L | A | 0.0000 | |
| 213 | Y | A | 0.0000 | |
| 214 | V | A | 0.0000 | |
| 215 | H | A | -0.6889 | |
| 216 | S | A | -0.9843 | |
| 217 | Y | A | 0.0000 | |
| 218 | R | A | -2.2115 | |
| 219 | N | A | -1.3033 | |
| 220 | Y | A | 0.0000 | |
| 221 | G | A | 0.0000 | |
| 222 | Q | A | 0.0000 | |
| 223 | L | A | 0.1971 | |
| 224 | A | A | 0.0000 | |
| 225 | G | A | 0.0000 | |
| 226 | R | A | 0.0000 | |
| 227 | A | A | 0.0000 | |
| 228 | E | A | -0.6486 | |
| 229 | I | A | 0.0000 | |
| 230 | F | A | 0.0000 | |
| 231 | K | A | -2.0517 | |
| 232 | A | A | -1.8477 | |
| 233 | S | A | -2.2500 | |
| 234 | R | A | -3.2992 | |
| 235 | N | A | -3.5883 | |
| 236 | E | A | -3.4916 | |
| 237 | S | A | -2.3114 | |
| 238 | N | A | 0.0000 | |
| 239 | P | A | -1.9809 | |
| 240 | C | A | 0.0000 | |
| 241 | A | A | 0.0000 | |
| 242 | L | A | 0.0000 | |
| 243 | E | A | -2.9560 | |
| 244 | G | A | -2.0822 | |
| 245 | Y | A | -1.4898 | |
| 246 | D | A | -2.3416 | |
| 247 | G | A | -1.0906 | |
| 248 | Y | A | -0.0569 | |
| 249 | Y | A | 0.0000 | |
| 250 | S | A | -0.4342 | |
| 251 | Y | A | -0.0096 | |
| 252 | G | A | -0.3451 | |
| 253 | G | A | -0.4886 | |
| 254 | V | A | -0.0439 | |
| 255 | D | A | -1.3210 | |
| 256 | Y | A | -1.1668 | |
| 257 | K | A | -2.2301 | |
| 258 | V | A | 0.0000 | |
| 259 | K | A | -2.7163 | |
| 260 | A | A | 0.0000 | |
| 261 | P | A | -2.3052 | |
| 262 | K | A | -2.9856 | |
| 263 | K | A | -2.8073 | |
| 264 | G | A | 0.0000 | |
| 265 | S | A | -2.1074 | |
| 266 | S | A | -2.0243 | |
| 267 | W | A | -1.7715 | |
| 268 | K | A | -2.9201 | |
| 269 | R | A | -3.2977 | |
| 270 | C | A | 0.0000 | |
| 271 | R | A | -2.6027 | |
| 272 | R | A | -3.4393 | |
| 273 | L | A | -2.3304 | |
| 274 | T | A | 0.0000 | |
| 275 | R | A | -2.5650 | |
| 276 | H | A | -2.4313 | |
| 277 | A | A | 0.0000 | |
| 278 | L | A | 0.0000 | |
| 279 | K | A | -2.2592 | |
| 280 | I | A | -1.7183 | |
| 281 | N | A | -2.2664 | |
| 282 | A | A | -2.2194 | |
| 283 | K | A | -2.5807 | |
| 284 | C | A | -2.3825 | |
| 285 | K | A | -2.4907 | |
| 286 | I | A | -2.0323 | |
| 287 | E | A | -2.9186 | |
| 288 | E | A | -2.5863 | |
| 289 | C | A | -1.8346 | |
| 290 | T | A | -0.8824 | |
| 291 | F | A | 0.0000 | |
| 292 | N | A | -1.7544 | |
| 293 | G | A | -1.9525 | |
| 294 | V | A | 0.0000 | |
| 295 | W | A | 0.0000 | |
| 296 | N | A | -0.9097 | |
| 297 | G | A | 0.0000 | |
| 298 | G | A | -1.4278 | |
| 299 | G | A | -1.0573 | |
| 300 | G | A | -1.4805 | |
| 301 | D | A | -2.2242 | |
| 302 | G | A | 0.0000 | |
| 303 | Q | A | -1.9058 | |
| 304 | K | A | -2.7541 | |
| 305 | N | A | -2.6479 | |
| 306 | I | A | 0.0000 | |
| 307 | H | A | -0.8321 | |
| 308 | A | A | 0.0000 | |
| 309 | S | A | 0.0000 | |
| 310 | S | A | -0.4499 | |
| 311 | F | A | -0.1111 | |
| 312 | F | A | 0.0000 | |
| 313 | Y | A | 0.0000 | |
| 314 | D | A | -0.5264 | |
| 315 | I | A | 0.0000 | |
| 316 | G | A | 0.0000 | |
| 317 | A | A | -0.8326 | |
| 318 | Q | A | 0.0000 | |
| 319 | V | A | -0.5296 | |
| 320 | G | A | -0.7926 | |
| 321 | I | A | -0.5977 | |
| 322 | V | A | 0.0000 | |
| 323 | D | A | -0.9807 | |
| 324 | T | A | -0.8689 | |
| 325 | K | A | -1.1138 | |
| 326 | F | A | 0.3087 | |
| 327 | P | A | -0.2595 | |
| 328 | S | A | -0.8037 | |
| 329 | A | A | -0.9934 | |
| 330 | K | A | -2.3596 | mutated: LK330A |
| 331 | A | A | 0.0000 | |
| 332 | K | A | -2.1460 | |
| 333 | P | A | 0.0000 | |
| 334 | I | A | -0.9778 | |
| 335 | Q | A | -1.1125 | |
| 336 | Y | A | 0.0000 | |
| 337 | L | A | 0.0000 | |
| 338 | N | A | -1.2627 | |
| 339 | A | A | 0.0000 | |
| 340 | A | A | 0.0000 | |
| 341 | K | A | -1.1038 | |
| 342 | V | A | 0.1111 | |
| 343 | A | A | 0.0000 | |
| 344 | C | A | 0.0000 | |
| 345 | Q | A | -1.3465 | |
| 346 | T | A | 0.0000 | |
| 347 | N | A | -1.8315 | |
| 348 | V | A | -1.4388 | |
| 349 | A | A | -1.2449 | |
| 350 | D | A | -1.8580 | |
| 351 | I | A | 0.0000 | |
| 352 | K | A | -2.1170 | |
| 353 | S | A | -1.0386 | |
| 354 | I | A | 0.1267 | |
| 355 | F | A | 0.0000 | |
| 356 | P | A | -1.5818 | |
| 357 | K | A | -2.3006 | |
| 358 | T | A | 0.0000 | |
| 359 | Q | A | -2.5047 | |
| 360 | D | A | -3.2611 | |
| 361 | R | A | -2.8538 | |
| 362 | N | A | 0.0000 | |
| 363 | I | A | 0.0000 | |
| 364 | P | A | -1.2527 | |
| 365 | Y | A | 0.0000 | |
| 366 | L | A | 0.0000 | |
| 367 | C | A | 0.0000 | |
| 368 | M | A | 0.0000 | |
| 369 | D | A | 0.0000 | |
| 370 | L | A | 0.0000 | |
| 371 | I | A | 0.0000 | |
| 372 | Y | A | 0.0000 | |
| 373 | E | A | 0.0000 | |
| 374 | Y | A | 0.0000 | |
| 375 | T | A | 0.0000 | |
| 376 | L | A | 0.0000 | |
| 377 | L | A | 0.0000 | |
| 378 | V | A | -0.5579 | |
| 379 | D | A | -0.6179 | |
| 380 | G | A | 0.0000 | |
| 381 | F | A | 0.0000 | |
| 382 | G | A | -0.8014 | |
| 383 | L | A | 0.0000 | |
| 384 | N | A | -2.1271 | |
| 385 | P | A | -1.6333 | |
| 386 | H | A | -2.2213 | |
| 387 | K | A | -2.8143 | |
| 388 | E | A | -3.2397 | |
| 389 | I | A | 0.0000 | |
| 390 | T | A | 0.0000 | |
| 391 | V | A | 0.0000 | |
| 392 | I | A | 0.0000 | |
| 393 | H | A | -1.0544 | |
| 394 | D | A | -0.6206 | |
| 395 | V | A | 0.0000 | |
| 396 | Q | A | -1.2498 | |
| 397 | Y | A | -1.2032 | |
| 398 | K | A | -2.2246 | |
| 399 | N | A | -2.0758 | |
| 400 | Y | A | -1.0887 | |
| 401 | L | A | -0.1235 | |
| 402 | V | A | 0.0000 | |
| 403 | G | A | -0.3984 | |
| 404 | A | A | -0.5225 | |
| 405 | A | A | -0.3085 | |
| 406 | W | A | 0.0000 | |
| 407 | P | A | 0.0000 | |
| 408 | L | A | 0.0000 | |
| 409 | G | A | 0.0000 | |
| 410 | C | A | 0.0000 | |
| 411 | A | A | 0.0000 | |
| 412 | I | A | 0.0000 | |
| 413 | D | A | -0.3872 | |
| 414 | L | A | 0.0000 | |
| 415 | V | A | 0.0000 | |
| 416 | S | A | 0.0000 | |
| 417 | S | A | -0.9170 | |
| 418 | T | A | -1.6147 | |
| 419 | T | A | -2.4648 | |
| 420 | N | A | -2.6969 | |
| 421 | K | A | -3.7946 | |
| 422 | K | A | -4.0435 | |
| 423 | R | A | -4.1239 | |
| 424 | K | A | -3.8124 | |
| 425 | A | A | -2.5537 | |
| 426 | S | A | -2.1178 | |
| 427 | S | A | -1.5772 |
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