| Chain sequence(s) |
A: MDAQIPLRRHLLSHESEHYAVIFDAGSTGSRVHVFRFDEKLGLLPIGNNIEYFMATEPGLSSYAEDPKAAANSLEPLLDGAEGVVPQELQSETPLELGATAGLRMLKGDAAEKILQAVRNLVKNQSTFHSKDQWVTILDGTQEGSYMWAAINYLLGNLGKDYKSTTATIDLGGGSVQMAYAISNEQFAKAPNNEDGEPYVQQKHLMSKDYNLYVHSYLNYGQLAGRAEIFKASRNESNPCALEGYDGYYSYGGVDYKVKAPKKGSSWKRCRRLTRHALKINAKCKIEECTFNGVWNGGGGDGQKNIHASSFFYDIGAQVGIVDTKFPSALAKPIQYLNAAKVACQTNVADIKSIFPKTQDRNIPYLCMDLIYEYTLLVDGFGLNPHKEITVIHDVQYKNYLVGAAWPLGCAIDLVSSTTNKIRVASS
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | FK53A,IK422A,LR218A,VK424A |
| Energy difference between WT (input) and mutated protein (by FoldX) | -0.416904 kcal/mol |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:04)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:04)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:04)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:04)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:04)
[INFO] FoldX: Building mutant model (00:04:39)
[INFO] FoldX: Starting FoldX energy minimalization (00:08:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:12:02)
[INFO] Main: Simulation completed successfully. (00:12:06)
|
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 | -0.4332 | |
| 12 | L | A | -0.3973 | |
| 13 | S | A | -1.1930 | |
| 14 | H | A | -1.6487 | |
| 15 | E | A | -2.2785 | |
| 16 | S | A | -1.9393 | |
| 17 | E | A | -1.8757 | |
| 18 | H | A | -1.7042 | |
| 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 | -0.4490 | |
| 25 | A | A | 0.0000 | |
| 26 | G | A | -0.6587 | |
| 27 | S | A | -0.6569 | |
| 28 | T | A | -0.7956 | |
| 29 | G | A | -1.2251 | |
| 30 | S | A | 0.0000 | |
| 31 | R | A | -1.1415 | |
| 32 | V | A | 0.0000 | |
| 33 | H | A | 0.0000 | |
| 34 | V | A | 0.0000 | |
| 35 | F | A | 0.0000 | |
| 36 | R | A | -0.3651 | |
| 37 | F | A | 0.0000 | |
| 38 | D | A | -2.3934 | |
| 39 | E | A | -3.3794 | |
| 40 | K | A | -2.8639 | |
| 41 | L | A | 0.0000 | |
| 42 | G | A | -1.1888 | |
| 43 | L | A | 0.0000 | |
| 44 | L | A | -0.1793 | |
| 45 | P | A | -0.6382 | |
| 46 | I | A | -0.6300 | |
| 47 | G | A | -1.2465 | |
| 48 | N | A | -2.0127 | |
| 49 | N | A | -2.0177 | |
| 50 | I | A | 0.0000 | |
| 51 | E | A | 0.0000 | |
| 52 | Y | A | -0.7546 | |
| 53 | K | A | -1.5157 | mutated: FK53A |
| 54 | M | A | -0.6101 | |
| 55 | A | A | -0.8993 | |
| 56 | T | A | -1.2017 | |
| 57 | E | A | -2.1323 | |
| 58 | P | A | -1.4423 | |
| 59 | G | A | 0.0000 | |
| 60 | L | A | 0.0000 | |
| 61 | S | A | -0.6157 | |
| 62 | S | A | -0.8702 | |
| 63 | Y | A | -1.1995 | |
| 64 | A | A | -1.9320 | |
| 65 | E | A | -2.7532 | |
| 66 | D | A | -2.8098 | |
| 67 | P | A | -2.7904 | |
| 68 | K | A | -3.0244 | |
| 69 | A | A | -1.9000 | |
| 70 | A | A | 0.0000 | |
| 71 | A | A | 0.0000 | |
| 72 | N | A | -2.1443 | |
| 73 | S | A | -1.6059 | |
| 74 | L | A | 0.0000 | |
| 75 | E | A | -2.3363 | |
| 76 | P | A | -1.6477 | |
| 77 | L | A | 0.0000 | |
| 78 | L | A | 0.0000 | |
| 79 | D | A | -2.5622 | |
| 80 | G | A | -1.4779 | |
| 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 | -2.1320 | |
| 90 | Q | A | 0.0000 | |
| 91 | S | A | -1.7444 | |
| 92 | E | A | -2.2866 | |
| 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 | -0.5396 | |
| 101 | A | A | -0.8147 | |
| 102 | G | A | -0.4700 | |
| 103 | L | A | 0.0000 | |
| 104 | R | A | -1.9309 | |
| 105 | M | A | -0.3146 | |
| 106 | L | A | -1.4701 | |
| 107 | K | A | -2.2814 | |
| 108 | G | A | -2.5425 | |
| 109 | D | A | -3.4298 | |
| 110 | A | A | 0.0000 | |
| 111 | A | A | -2.5947 | |
| 112 | E | A | -3.1581 | |
| 113 | K | A | -3.7136 | |
| 114 | I | A | 0.0000 | |
| 115 | L | A | 0.0000 | |
| 116 | Q | A | -2.5041 | |
| 117 | A | A | 0.0000 | |
| 118 | V | A | 0.0000 | |
| 119 | R | A | -2.6413 | |
| 120 | N | A | -2.6018 | |
| 121 | L | A | 0.0000 | |
| 122 | V | A | 0.0000 | |
| 123 | K | A | -3.4668 | |
| 124 | N | A | -2.9494 | |
| 125 | Q | A | -2.8215 | |
| 126 | S | A | -2.0839 | |
| 127 | T | A | -1.5781 | |
| 128 | F | A | 0.0000 | |
| 129 | H | A | -1.4536 | |
| 130 | S | A | -1.9402 | |
| 131 | K | A | -2.6623 | |
| 132 | D | A | -3.3730 | |
| 133 | Q | A | -2.3728 | |
| 134 | W | A | -1.4018 | |
| 135 | V | A | 0.0000 | |
| 136 | T | A | -0.8703 | |
| 137 | I | A | -0.7000 | |
| 138 | L | A | 0.0000 | |
| 139 | D | A | -1.3030 | |
| 140 | G | A | -1.1988 | |
| 141 | T | A | -0.9773 | |
| 142 | Q | A | -0.9976 | |
| 143 | E | A | -0.9638 | |
| 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 | 0.0486 | |
| 156 | G | A | -0.3695 | |
| 157 | N | A | -1.0203 | |
| 158 | L | A | 0.0000 | |
| 159 | G | A | -1.8585 | |
| 160 | K | A | -3.0093 | |
| 161 | D | A | -2.9165 | |
| 162 | Y | A | -2.1130 | |
| 163 | K | A | -2.8045 | |
| 164 | S | A | -2.1683 | |
| 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 | -0.3011 | |
| 171 | L | A | 0.0000 | |
| 172 | G | A | -0.3542 | |
| 173 | G | A | -0.3041 | |
| 174 | G | A | -0.7793 | |
| 175 | S | A | -1.0568 | |
| 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 | -1.7356 | |
| 184 | N | A | -2.2840 | |
| 185 | E | A | -2.7925 | |
| 186 | Q | A | -1.9802 | |
| 187 | F | A | -1.3889 | |
| 188 | A | A | -1.5560 | |
| 189 | K | A | -2.5274 | |
| 190 | A | A | -1.3895 | |
| 191 | P | A | -1.6272 | |
| 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 | -1.1668 | |
| 202 | Q | A | -1.8733 | |
| 203 | K | A | -1.8116 | |
| 204 | H | A | -1.8365 | |
| 205 | L | A | 0.0000 | |
| 206 | M | A | -1.1738 | |
| 207 | S | A | -1.4804 | |
| 208 | K | A | -2.4096 | |
| 209 | D | A | -2.9958 | |
| 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 | -0.6890 | |
| 216 | S | A | -0.9842 | |
| 217 | Y | A | 0.0000 | |
| 218 | R | A | -2.2109 | mutated: LR218A |
| 219 | N | A | -1.2871 | |
| 220 | Y | A | 0.0000 | |
| 221 | G | A | 0.0000 | |
| 222 | Q | A | 0.0000 | |
| 223 | L | A | 0.3024 | |
| 224 | A | A | 0.0000 | |
| 225 | G | A | 0.0000 | |
| 226 | R | A | 0.0000 | |
| 227 | A | A | 0.0000 | |
| 228 | E | A | -0.6301 | |
| 229 | I | A | 0.0000 | |
| 230 | F | A | 0.0000 | |
| 231 | K | A | -2.0386 | |
| 232 | A | A | -1.8378 | |
| 233 | S | A | -2.2463 | |
| 234 | R | A | -3.2956 | |
| 235 | N | A | -3.5872 | |
| 236 | E | A | -3.4928 | |
| 237 | S | A | -2.3170 | |
| 238 | N | A | 0.0000 | |
| 239 | P | A | -1.9988 | |
| 240 | C | A | 0.0000 | |
| 241 | A | A | 0.0000 | |
| 242 | L | A | 0.0000 | |
| 243 | E | A | -2.9740 | |
| 244 | G | A | -2.0982 | |
| 245 | Y | A | -1.4975 | |
| 246 | D | A | -2.3441 | |
| 247 | G | A | -1.0911 | |
| 248 | Y | A | -0.0569 | |
| 249 | Y | A | 0.0000 | |
| 250 | S | A | -0.4217 | |
| 251 | Y | A | 0.0101 | |
| 252 | G | A | -0.3334 | |
| 253 | G | A | -0.4858 | |
| 254 | V | A | -0.0383 | |
| 255 | D | A | -1.3185 | |
| 256 | Y | A | -1.1645 | |
| 257 | K | A | -2.2302 | |
| 258 | V | A | 0.0000 | |
| 259 | K | A | -2.7242 | |
| 260 | A | A | 0.0000 | |
| 261 | P | A | -2.3097 | |
| 262 | K | A | -2.9883 | |
| 263 | K | A | -2.8087 | |
| 264 | G | A | 0.0000 | |
| 265 | S | A | -2.1262 | |
| 266 | S | A | -2.0577 | |
| 267 | W | A | -1.8179 | |
| 268 | K | A | -3.0186 | |
| 269 | R | A | -3.3445 | |
| 270 | C | A | 0.0000 | |
| 271 | R | A | -2.6361 | |
| 272 | R | A | -3.4572 | |
| 273 | L | A | -2.3352 | |
| 274 | T | A | 0.0000 | |
| 275 | R | A | -2.5362 | |
| 276 | H | A | -2.4168 | |
| 277 | A | A | 0.0000 | |
| 278 | L | A | 0.0000 | |
| 279 | K | A | -2.2508 | |
| 280 | I | A | -1.7084 | |
| 281 | N | A | -2.2618 | |
| 282 | A | A | -2.2206 | |
| 283 | K | A | -2.5822 | |
| 284 | C | A | -2.4091 | |
| 285 | K | A | -2.5075 | |
| 286 | I | A | -2.0634 | |
| 287 | E | A | -2.9801 | |
| 288 | E | A | -2.7181 | |
| 289 | C | A | -1.9023 | |
| 290 | T | A | -0.9121 | |
| 291 | F | A | 0.0000 | |
| 292 | N | A | -1.7560 | |
| 293 | G | A | -1.9727 | |
| 294 | V | A | 0.0000 | |
| 295 | W | A | 0.0000 | |
| 296 | N | A | -0.9534 | |
| 297 | G | A | 0.0000 | |
| 298 | G | A | -1.4817 | |
| 299 | G | A | -1.0887 | |
| 300 | G | A | -1.4892 | |
| 301 | D | A | -2.2268 | |
| 302 | G | A | 0.0000 | |
| 303 | Q | A | -1.9166 | |
| 304 | K | A | -2.7649 | |
| 305 | N | A | -2.6562 | |
| 306 | I | A | 0.0000 | |
| 307 | H | A | -0.4564 | |
| 308 | A | A | 0.0000 | |
| 309 | S | A | 0.0000 | |
| 310 | S | A | -0.4470 | |
| 311 | F | A | -0.0722 | |
| 312 | F | A | 0.0000 | |
| 313 | Y | A | 0.0000 | |
| 314 | D | A | -0.6448 | |
| 315 | I | A | 0.0000 | |
| 316 | G | A | 0.0000 | |
| 317 | A | A | -0.8706 | |
| 318 | Q | A | 0.0000 | |
| 319 | V | A | -0.5467 | |
| 320 | G | A | -0.7920 | |
| 321 | I | A | -0.1620 | |
| 322 | V | A | 0.0000 | |
| 323 | D | A | -0.6531 | |
| 324 | T | A | -0.8867 | |
| 325 | K | A | -1.1138 | |
| 326 | F | A | 0.3087 | |
| 327 | P | A | -0.2596 | |
| 328 | S | A | -0.1246 | |
| 329 | A | A | 0.5944 | |
| 330 | L | A | 0.8578 | |
| 331 | A | A | 0.0000 | |
| 332 | K | A | -1.5924 | |
| 333 | P | A | 0.0000 | |
| 334 | I | A | -1.0139 | |
| 335 | Q | A | -1.1360 | |
| 336 | Y | A | 0.0000 | |
| 337 | L | A | 0.0000 | |
| 338 | N | A | -1.2238 | |
| 339 | A | A | 0.0000 | |
| 340 | A | A | 0.0000 | |
| 341 | K | A | -1.0979 | |
| 342 | V | A | 0.1208 | |
| 343 | A | A | 0.0000 | |
| 344 | C | A | 0.0000 | |
| 345 | Q | A | -1.3525 | |
| 346 | T | A | 0.0000 | |
| 347 | N | A | -1.8722 | |
| 348 | V | A | -1.4648 | |
| 349 | A | A | -1.2722 | |
| 350 | D | A | -1.9067 | |
| 351 | I | A | 0.0000 | |
| 352 | K | A | -2.1398 | |
| 353 | S | A | -1.0521 | |
| 354 | I | A | 0.1099 | |
| 355 | F | A | 0.0000 | |
| 356 | P | A | -1.6002 | |
| 357 | K | A | -2.3266 | |
| 358 | T | A | 0.0000 | |
| 359 | Q | A | -2.6222 | |
| 360 | D | A | -3.3100 | |
| 361 | R | A | -2.8864 | |
| 362 | N | A | 0.0000 | |
| 363 | I | A | 0.0000 | |
| 364 | P | A | -1.2681 | |
| 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 | -0.5587 | |
| 379 | D | A | -0.6123 | |
| 380 | G | A | 0.0000 | |
| 381 | F | A | 0.0000 | |
| 382 | G | A | -0.8019 | |
| 383 | L | A | 0.0000 | |
| 384 | N | A | -2.1447 | |
| 385 | P | A | -1.6659 | |
| 386 | H | A | -2.2614 | |
| 387 | K | A | -2.5224 | |
| 388 | E | A | -2.4840 | |
| 389 | I | A | 0.0000 | |
| 390 | T | A | -0.2861 | |
| 391 | V | A | 0.0000 | |
| 392 | I | A | 0.0000 | |
| 393 | H | A | -1.0684 | |
| 394 | D | A | -0.6209 | |
| 395 | V | A | 0.0000 | |
| 396 | Q | A | -1.2496 | |
| 397 | Y | A | -1.2035 | |
| 398 | K | A | -2.2242 | |
| 399 | N | A | -2.0752 | |
| 400 | Y | A | -1.0879 | |
| 401 | L | A | -0.1232 | |
| 402 | V | A | 0.0000 | |
| 403 | G | A | -0.3997 | |
| 404 | A | A | -0.5231 | |
| 405 | A | A | -0.3090 | |
| 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 | -0.3877 | |
| 414 | L | A | 0.0000 | |
| 415 | V | A | 0.0000 | |
| 416 | S | A | 0.0000 | |
| 417 | S | A | -0.9172 | |
| 418 | T | A | -1.6153 | |
| 419 | T | A | -2.4664 | |
| 420 | N | A | -2.6991 | |
| 421 | K | A | -3.7967 | |
| 422 | K | A | -4.0475 | mutated: IK422A |
| 423 | R | A | -4.1327 | |
| 424 | K | A | -3.8166 | mutated: VK424A |
| 425 | A | A | -2.5564 | |
| 426 | S | A | -2.1210 | |
| 427 | S | A | -1.5797 |
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