| Chain sequence(s) | MGDYGFGVLVQSNTGNKSAFPVRFHPHLQPPHHHQNATPNPAAFINNNTAANGSSAGSAWLFPAPATHNIQDEILGSEKAKSQQQEQQDPLEKQQLSPSPGQEAGILPETEKAKAEENPGDNSSENSNGKEKIRIESPVLTGFDYQEATGLGTSTQPLTSSASSLTGFSNWSAAIAPSSSTIINEDASFFHQGGVPGASANNGALLFQNFPHHVSPGFGGSFSPQIGPLSQHHPHHPHFQHHHSQHQQQRRSPASPHPPPFTHRNAAFNQLPHLANNLNKPPSPWSSYQSPSPTPSSSWSPGGGGYGGWGASQGRDHRRGLNGGITPLNSISPLKKNFASNHIQLQKYARPSSAFAPKSWMEDSLNRADNIFPFPDRPRTFDMHSLESSLIDIMRAENDSIKGRLNYSYPGSDSSLLINGQSSLFPMEDGFLDDGRGDQPLHSGLGSPHCFTHQNGERVERYSRKVFVGGLPPDIDEDEITASFRRFGPLIVDWPHKAESKSYFPPKGYAFLLFQDESSVQALIDACIEEDGKLYLCVSSPTIKDKPVQIRPWNLSDSDFVMDGSQPLDPRKTIFVGGVPRPLRAVELAMIMDRLYGGVCYAGIDTDPELKYPKGAGRVAFSNQQSYIAAISARFVQLQHGEIDKRVEVKPYVLDDQLCDECQGARCGGKFAPFFCANVTCLQYYCEYCWAAIHSRAGREFHKPLVKEGGDRPRHISFRWN input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:12)
[INFO] FoldX: Starting FoldX energy minimization (00:00:12)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:24:22)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/90a5cfc6c94a21/tmp/folded.pdb (00:24:22)
[INFO] Main: Simulation completed successfully. (00:35:56)
|
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 | 0.5164 | |
| 2 | G | A | -0.4614 | |
| 3 | D | A | -1.1566 | |
| 4 | Y | A | 0.4428 | |
| 5 | G | A | 0.6820 | |
| 6 | F | A | 2.1856 | |
| 7 | G | A | 1.7549 | |
| 8 | V | A | 3.0819 | |
| 9 | L | A | 2.9025 | |
| 10 | V | A | 2.2872 | |
| 11 | Q | A | -0.4265 | |
| 12 | S | A | -1.1340 | |
| 13 | N | A | -1.7748 | |
| 14 | T | A | -1.2640 | |
| 15 | G | A | -1.7820 | |
| 16 | N | A | -2.3997 | |
| 17 | K | A | -2.5238 | |
| 18 | S | A | -0.9024 | |
| 19 | A | A | 0.5000 | |
| 20 | F | A | 2.1385 | |
| 21 | P | A | 1.1355 | |
| 22 | V | A | 1.5532 | |
| 23 | R | A | -0.3236 | |
| 24 | F | A | 0.8978 | |
| 25 | H | A | -0.8019 | |
| 26 | P | A | -0.6350 | |
| 27 | H | A | -0.7390 | |
| 28 | L | A | 0.3107 | |
| 29 | Q | A | -0.9053 | |
| 30 | P | A | -1.0022 | |
| 31 | P | A | -1.3209 | |
| 32 | H | A | -2.0864 | |
| 33 | H | A | -2.3653 | |
| 34 | H | A | -2.6641 | |
| 35 | Q | A | -2.6700 | |
| 36 | N | A | -2.0650 | |
| 37 | A | A | -0.8838 | |
| 38 | T | A | -0.6660 | |
| 39 | P | A | -0.9314 | |
| 40 | N | A | -1.5366 | |
| 41 | P | A | -0.9813 | |
| 42 | A | A | 0.0794 | |
| 43 | A | A | 1.3354 | |
| 44 | F | A | 2.6546 | |
| 45 | I | A | 1.9963 | |
| 46 | N | A | -0.6226 | |
| 47 | N | A | -2.1994 | |
| 48 | N | A | -2.2685 | |
| 49 | T | A | -0.9074 | |
| 50 | A | A | -0.4577 | |
| 51 | A | A | -0.6306 | |
| 52 | N | A | -1.5522 | |
| 53 | G | A | -1.3417 | |
| 54 | S | A | -0.8607 | |
| 55 | S | A | -0.5057 | |
| 56 | A | A | -0.4033 | |
| 57 | G | A | -0.5940 | |
| 58 | S | A | -0.1374 | |
| 59 | A | A | 0.7202 | |
| 60 | W | A | 2.4214 | |
| 61 | L | A | 3.0802 | |
| 62 | F | A | 2.7838 | |
| 63 | P | A | 1.1642 | |
| 64 | A | A | 0.2308 | |
| 65 | P | A | -0.2638 | |
| 66 | A | A | -0.2842 | |
| 67 | T | A | -0.8253 | |
| 68 | H | A | -1.3020 | |
| 69 | N | A | -1.1405 | |
| 70 | I | A | 0.1931 | |
| 71 | Q | A | -1.5927 | |
| 72 | D | A | -2.4449 | |
| 73 | E | A | -1.6543 | |
| 74 | I | A | 1.4319 | |
| 75 | L | A | 1.7216 | |
| 76 | G | A | 0.1263 | |
| 77 | S | A | -1.4790 | |
| 78 | E | A | -2.7630 | |
| 79 | K | A | -3.0267 | |
| 80 | A | A | -2.0116 | |
| 81 | K | A | -2.4176 | |
| 82 | S | A | -1.9949 | |
| 83 | Q | A | -2.5505 | |
| 84 | Q | A | -2.8282 | |
| 85 | Q | A | -3.1865 | |
| 86 | E | A | -3.5218 | |
| 87 | Q | A | -3.3344 | |
| 88 | Q | A | -3.0603 | |
| 89 | D | A | -2.3894 | |
| 90 | P | A | -1.1009 | |
| 91 | L | A | -0.1768 | |
| 92 | E | A | -2.1565 | |
| 93 | K | A | -3.1470 | |
| 94 | Q | A | -2.7236 | |
| 95 | Q | A | -1.5086 | |
| 96 | L | A | 0.5368 | |
| 97 | S | A | 0.0641 | |
| 98 | P | A | -0.2117 | |
| 99 | S | A | -0.7843 | |
| 100 | P | A | -1.1886 | |
| 101 | G | A | -1.7886 | |
| 102 | Q | A | -2.5199 | |
| 103 | E | A | -2.6821 | |
| 104 | A | A | -0.7114 | |
| 105 | G | A | 0.6354 | |
| 106 | I | A | 2.4447 | |
| 107 | L | A | 1.7905 | |
| 108 | P | A | 0.0220 | |
| 109 | E | A | -1.9502 | |
| 110 | T | A | -2.1325 | |
| 111 | E | A | -3.0021 | |
| 112 | K | A | -2.9057 | |
| 113 | A | A | -2.1767 | |
| 114 | K | A | -2.6471 | |
| 115 | A | A | -2.3556 | |
| 116 | E | A | -3.4347 | |
| 117 | E | A | -3.6007 | |
| 118 | N | A | -2.6991 | |
| 119 | P | A | -1.8866 | |
| 120 | G | A | -1.9375 | |
| 121 | D | A | -2.7300 | |
| 122 | N | A | -2.4015 | |
| 123 | S | A | -1.7917 | |
| 124 | S | A | -1.9335 | |
| 125 | E | A | -2.7122 | |
| 126 | N | A | -2.6766 | |
| 127 | S | A | -2.0730 | |
| 128 | N | A | -2.4916 | |
| 129 | G | A | -2.4755 | |
| 130 | K | A | -3.4372 | |
| 131 | E | A | -3.4618 | |
| 132 | K | A | -2.0432 | |
| 133 | I | A | 0.1666 | |
| 134 | R | A | -0.9824 | |
| 135 | I | A | 0.3270 | |
| 136 | E | A | -1.2614 | |
| 137 | S | A | -0.4034 | |
| 138 | P | A | 0.3793 | |
| 139 | V | A | 2.3396 | |
| 140 | L | A | 2.2273 | |
| 141 | T | A | 1.2185 | |
| 142 | G | A | 0.3931 | |
| 143 | F | A | 1.1179 | |
| 144 | D | A | -0.5561 | |
| 145 | Y | A | -0.1083 | |
| 146 | Q | A | -1.8701 | |
| 147 | E | A | -2.1477 | |
| 148 | A | A | -1.0484 | |
| 149 | T | A | -0.3689 | |
| 150 | G | A | 0.2623 | |
| 151 | L | A | 1.0010 | |
| 152 | G | A | 0.1823 | |
| 153 | T | A | -0.1477 | |
| 154 | S | A | -0.6522 | |
| 155 | T | A | -0.8229 | |
| 156 | Q | A | -1.1082 | |
| 157 | P | A | -0.2271 | |
| 158 | L | A | 1.1045 | |
| 159 | T | A | 0.5808 | |
| 160 | S | A | -0.0185 | |
| 161 | S | A | -0.3490 | |
| 162 | A | A | -0.2594 | |
| 163 | S | A | -0.0400 | |
| 164 | S | A | 0.4523 | |
| 165 | L | A | 1.2584 | |
| 166 | T | A | 0.7630 | |
| 167 | G | A | 0.7385 | |
| 168 | F | A | 1.2986 | |
| 169 | S | A | 0.2949 | |
| 170 | N | A | -0.4011 | |
| 171 | W | A | 0.4378 | |
| 172 | S | A | 0.1083 | |
| 173 | A | A | 0.6977 | |
| 174 | A | A | 1.0280 | |
| 175 | I | A | 2.0292 | |
| 176 | A | A | 0.8616 | |
| 177 | P | A | 0.0556 | |
| 178 | S | A | -0.4690 | |
| 179 | S | A | -0.4873 | |
| 180 | S | A | -0.0018 | |
| 181 | T | A | 1.2239 | |
| 182 | I | A | 2.6392 | |
| 183 | I | A | 1.9023 | |
| 184 | N | A | -1.0263 | |
| 185 | E | A | -2.8241 | |
| 186 | D | A | -2.7242 | |
| 187 | A | A | -0.9302 | |
| 188 | S | A | 0.8435 | |
| 189 | F | A | 2.2309 | |
| 190 | F | A | 1.9918 | |
| 191 | H | A | -0.2555 | |
| 192 | Q | A | -1.3730 | |
| 193 | G | A | -1.1339 | |
| 194 | G | A | -0.2813 | |
| 195 | V | A | 1.1876 | |
| 196 | P | A | 0.3147 | |
| 197 | G | A | -0.1856 | |
| 198 | A | A | -0.1439 | |
| 199 | S | A | -0.5628 | |
| 200 | A | A | -1.0124 | |
| 201 | N | A | -2.0010 | |
| 202 | N | A | -2.1327 | |
| 203 | G | A | -1.1680 | |
| 204 | A | A | 0.8440 | |
| 205 | L | A | 2.6503 | |
| 206 | L | A | 3.0265 | |
| 207 | F | A | 2.2480 | |
| 208 | Q | A | 0.1670 | |
| 209 | N | A | -0.4032 | |
| 210 | F | A | 0.7589 | |
| 211 | P | A | -0.1136 | |
| 212 | H | A | -0.8364 | |
| 213 | H | A | -0.5925 | |
| 214 | V | A | 0.8765 | |
| 215 | S | A | 0.1872 | |
| 216 | P | A | 0.1638 | |
| 217 | G | A | 0.2318 | |
| 218 | F | A | 1.3433 | |
| 219 | G | A | 0.0974 | |
| 220 | G | A | -0.0256 | |
| 221 | S | A | 0.4171 | |
| 222 | F | A | 1.5854 | |
| 223 | S | A | 0.2734 | |
| 224 | P | A | -0.2045 | |
| 225 | Q | A | -0.4282 | |
| 226 | I | A | 0.9960 | |
| 227 | G | A | 0.4983 | |
| 228 | P | A | 0.5268 | |
| 229 | L | A | 0.9664 | |
| 230 | S | A | -0.3998 | |
| 231 | Q | A | -1.6489 | |
| 232 | H | A | -2.1234 | |
| 233 | H | A | -2.0299 | |
| 234 | P | A | -1.6666 | |
| 235 | H | A | -1.8436 | |
| 236 | H | A | -1.6698 | |
| 237 | P | A | -1.1557 | |
| 238 | H | A | -0.6488 | |
| 239 | F | A | 0.3364 | |
| 240 | Q | A | -1.0918 | |
| 241 | H | A | -2.0787 | |
| 242 | H | A | -2.4807 | |
| 243 | H | A | -2.3256 | |
| 244 | S | A | -2.0119 | |
| 245 | Q | A | -2.4251 | |
| 246 | H | A | -2.6408 | |
| 247 | Q | A | -2.8614 | |
| 248 | Q | A | -2.9955 | |
| 249 | Q | A | -3.3510 | |
| 250 | R | A | -3.7374 | |
| 251 | R | A | -3.2766 | |
| 252 | S | A | -1.5824 | |
| 253 | P | A | -0.7533 | |
| 254 | A | A | -0.2577 | |
| 255 | S | A | -0.5866 | |
| 256 | P | A | -0.8766 | |
| 257 | H | A | -1.3526 | |
| 258 | P | A | -1.0385 | |
| 259 | P | A | -0.3867 | |
| 260 | P | A | 0.5091 | |
| 261 | F | A | 1.5456 | |
| 262 | T | A | -0.0698 | |
| 263 | H | A | -1.9560 | |
| 264 | R | A | -2.9994 | |
| 265 | N | A | -2.3180 | |
| 266 | A | A | -0.6119 | |
| 267 | A | A | 0.5838 | |
| 268 | F | A | 1.1549 | |
| 269 | N | A | -0.6554 | |
| 270 | Q | A | -0.7929 | |
| 271 | L | A | 0.3523 | |
| 272 | P | A | 0.1731 | |
| 273 | H | A | 0.0048 | |
| 274 | L | A | 0.7811 | |
| 275 | A | A | -0.2678 | |
| 276 | N | A | -1.2668 | |
| 277 | N | A | -1.3762 | |
| 278 | L | A | -0.3002 | |
| 279 | N | A | -1.6935 | |
| 280 | K | A | -2.1991 | |
| 281 | P | A | -1.4275 | |
| 282 | P | A | -0.9424 | |
| 283 | S | A | -0.2790 | |
| 284 | P | A | 0.0931 | |
| 285 | W | A | 0.8479 | |
| 286 | S | A | 0.4447 | |
| 287 | S | A | 0.3392 | |
| 288 | Y | A | 0.4296 | |
| 289 | Q | A | -0.6963 | |
| 290 | S | A | -0.7201 | |
| 291 | P | A | -0.6709 | |
| 292 | S | A | -0.5398 | |
| 293 | P | A | -0.5152 | |
| 294 | T | A | -0.4531 | |
| 295 | P | A | -0.5141 | |
| 296 | S | A | -0.5216 | |
| 297 | S | A | -0.2893 | |
| 298 | S | A | 0.0843 | |
| 299 | W | A | 0.8823 | |
| 300 | S | A | 0.0111 | |
| 301 | P | A | -0.4455 | |
| 302 | G | A | -0.9565 | |
| 303 | G | A | -1.0996 | |
| 304 | G | A | -0.7419 | |
| 305 | G | A | -0.2557 | |
| 306 | Y | A | 0.6690 | |
| 307 | G | A | 0.0713 | |
| 308 | G | A | 0.0510 | |
| 309 | W | A | 0.6187 | |
| 310 | G | A | 0.0911 | |
| 311 | A | A | -0.2498 | |
| 312 | S | A | -0.9724 | |
| 313 | Q | A | -1.8839 | |
| 314 | G | A | -2.3656 | |
| 315 | R | A | -3.4350 | |
| 316 | D | A | -3.6750 | |
| 317 | H | A | -3.4894 | |
| 318 | R | A | -3.6555 | |
| 319 | R | A | -2.8624 | |
| 320 | G | A | -1.4664 | |
| 321 | L | A | 0.0507 | |
| 322 | N | A | -0.8164 | |
| 323 | G | A | -0.5534 | |
| 324 | G | A | 0.1077 | |
| 325 | I | A | 1.5988 | |
| 326 | T | A | 0.8797 | |
| 327 | P | A | 0.6095 | |
| 328 | L | A | 0.8352 | |
| 329 | N | A | -0.1061 | |
| 330 | S | A | 0.4409 | |
| 331 | I | A | 1.6266 | |
| 332 | S | A | 0.9406 | |
| 333 | P | A | 0.4618 | |
| 334 | L | A | 0.1385 | |
| 335 | K | A | -2.0424 | |
| 336 | K | A | -2.3687 | |
| 337 | N | A | -1.4905 | |
| 338 | F | A | 0.9508 | |
| 339 | A | A | 0.3151 | |
| 340 | S | A | -0.7464 | |
| 341 | N | A | -1.4003 | |
| 342 | H | A | -0.9487 | |
| 343 | I | A | 0.9902 | |
| 344 | Q | A | 0.0935 | |
| 345 | L | A | 0.5580 | |
| 346 | Q | A | -1.1458 | |
| 347 | K | A | -1.3142 | |
| 348 | Y | A | -0.0912 | |
| 349 | A | A | -0.7066 | |
| 350 | R | A | -1.6688 | |
| 351 | P | A | -1.1422 | |
| 352 | S | A | -0.7879 | |
| 353 | S | A | 0.0199 | |
| 354 | A | A | 0.8519 | |
| 355 | F | A | 1.7019 | |
| 356 | A | A | 0.4580 | |
| 357 | P | A | -0.7117 | |
| 358 | K | A | -1.3127 | |
| 359 | S | A | -0.5112 | |
| 360 | W | A | 0.7881 | |
| 361 | M | A | -0.0319 | |
| 362 | E | A | -1.9743 | |
| 363 | D | A | -2.2818 | |
| 364 | S | A | -0.9116 | |
| 365 | L | A | 0.0204 | |
| 366 | N | A | -1.3748 | |
| 367 | R | A | -2.4911 | |
| 368 | A | A | -2.3701 | |
| 369 | D | A | -2.3997 | |
| 370 | N | A | -0.7860 | |
| 371 | I | A | 1.9243 | |
| 372 | F | A | 2.9624 | |
| 373 | P | A | 2.1677 | |
| 374 | F | A | 1.4983 | |
| 375 | P | A | -0.5578 | |
| 376 | D | A | -2.6233 | |
| 377 | R | A | -3.1135 | |
| 378 | P | A | -2.2536 | |
| 379 | R | A | -2.3142 | |
| 380 | T | A | -0.4582 | |
| 381 | F | A | 0.6362 | |
| 382 | D | A | -0.8516 | |
| 383 | M | A | -0.0289 | |
| 384 | H | A | -1.1227 | |
| 385 | S | A | -0.6618 | |
| 386 | L | A | 0.2984 | |
| 387 | E | A | -1.0495 | |
| 388 | S | A | -0.3648 | |
| 389 | S | A | 0.1477 | |
| 390 | L | A | 1.1922 | |
| 391 | I | A | 0.9914 | |
| 392 | D | A | -0.8143 | |
| 393 | I | A | 1.1484 | |
| 394 | M | A | 0.4479 | |
| 395 | R | A | -2.0862 | |
| 396 | A | A | -1.8550 | |
| 397 | E | A | -2.9515 | |
| 398 | N | A | -2.7786 | |
| 399 | D | A | -3.0219 | |
| 400 | S | A | -1.2249 | |
| 401 | I | A | 0.0477 | |
| 402 | K | A | -1.5500 | |
| 403 | G | A | -1.4150 | |
| 404 | R | A | -1.7122 | |
| 405 | L | A | -0.0270 | |
| 406 | N | A | -0.2569 | |
| 407 | Y | A | 1.1445 | |
| 408 | S | A | 0.7983 | |
| 409 | Y | A | 1.2425 | |
| 410 | P | A | 0.1175 | |
| 411 | G | A | -0.8212 | |
| 412 | S | A | -1.3923 | |
| 413 | D | A | -2.1398 | |
| 414 | S | A | -0.9072 | |
| 415 | S | A | 0.4418 | |
| 416 | L | A | 2.5252 | |
| 417 | L | A | 2.9551 | |
| 418 | I | A | 2.2794 | |
| 419 | N | A | -0.3776 | |
| 420 | G | A | -1.2475 | |
| 421 | Q | A | -1.6810 | |
| 422 | S | A | -0.4245 | |
| 423 | S | A | 0.5748 | |
| 424 | L | A | 2.3232 | |
| 425 | F | A | 2.6044 | |
| 426 | P | A | 0.9648 | |
| 427 | M | A | 0.3165 | |
| 428 | E | A | -2.1517 | |
| 429 | D | A | -2.2773 | |
| 430 | G | A | -0.5949 | |
| 431 | F | A | 1.6812 | |
| 432 | L | A | 0.9565 | |
| 433 | D | A | -1.4563 | |
| 434 | D | A | -2.9182 | |
| 435 | G | A | -2.7329 | |
| 436 | R | A | -3.0121 | |
| 437 | G | A | -2.5471 | |
| 438 | D | A | -3.0153 | |
| 439 | Q | A | -1.9940 | |
| 440 | P | A | -0.6288 | |
| 441 | L | A | 0.6730 | |
| 442 | H | A | -0.4981 | |
| 443 | S | A | -0.3643 | |
| 444 | G | A | -0.1350 | |
| 445 | L | A | 1.0140 | |
| 446 | G | A | -0.1193 | |
| 447 | S | A | -0.3883 | |
| 448 | P | A | -0.5236 | |
| 449 | H | A | -0.4267 | |
| 450 | C | A | 0.9507 | |
| 451 | F | A | 1.5297 | |
| 452 | T | A | -0.1550 | |
| 453 | H | A | -1.3860 | |
| 454 | Q | A | -2.4170 | |
| 455 | N | A | -3.0608 | |
| 456 | G | A | -2.6221 | |
| 457 | E | A | -3.1296 | |
| 458 | R | A | -2.8791 | |
| 459 | V | A | -0.9600 | |
| 460 | E | A | -2.3280 | |
| 461 | R | A | -2.5346 | |
| 462 | Y | A | -1.5384 | |
| 463 | S | A | 0.0000 | |
| 464 | R | A | -1.7245 | |
| 465 | K | A | -0.8904 | |
| 466 | V | A | 0.0000 | |
| 467 | F | A | -0.0804 | |
| 468 | V | A | 0.0000 | |
| 469 | G | A | 0.0000 | |
| 470 | G | A | -0.8247 | |
| 471 | L | A | 0.0000 | |
| 472 | P | A | 0.0000 | |
| 473 | P | A | -0.4912 | |
| 474 | D | A | -0.1139 | |
| 475 | I | A | 0.0000 | |
| 476 | D | A | -0.6914 | |
| 477 | E | A | -1.1747 | |
| 478 | D | A | -2.5292 | |
| 479 | E | A | -2.0610 | |
| 480 | I | A | 0.0000 | |
| 481 | T | A | -1.6762 | |
| 482 | A | A | -1.7503 | |
| 483 | S | A | 0.0000 | |
| 484 | F | A | 0.0000 | |
| 485 | R | A | -2.8276 | |
| 486 | R | A | -2.6651 | |
| 487 | F | A | -1.4814 | |
| 488 | G | A | -1.7572 | |
| 489 | P | A | -1.2860 | |
| 490 | L | A | -0.5901 | |
| 491 | I | A | 0.6061 | |
| 492 | V | A | 0.0000 | |
| 493 | D | A | -0.5179 | |
| 494 | W | A | 0.0000 | |
| 495 | P | A | -1.0430 | |
| 496 | H | A | -2.2589 | |
| 497 | K | A | -1.6769 | |
| 498 | A | A | -1.7923 | |
| 499 | E | A | -2.8597 | |
| 500 | S | A | -2.1782 | |
| 501 | K | A | -2.0952 | |
| 502 | S | A | -0.5550 | |
| 503 | Y | A | 0.7876 | |
| 504 | F | A | 1.0819 | |
| 505 | P | A | 0.0000 | |
| 506 | P | A | -0.6042 | |
| 507 | K | A | -1.6147 | |
| 508 | G | A | -0.7830 | |
| 509 | Y | A | -0.2424 | |
| 510 | A | A | 0.0000 | |
| 511 | F | A | 0.1447 | |
| 512 | L | A | 0.0000 | |
| 513 | L | A | -0.0654 | |
| 514 | F | A | 0.0000 | |
| 515 | Q | A | -1.7099 | |
| 516 | D | A | -1.9962 | |
| 517 | E | A | -1.8097 | |
| 518 | S | A | -1.2461 | |
| 519 | S | A | 0.0000 | |
| 520 | V | A | 0.0000 | |
| 521 | Q | A | -1.3003 | |
| 522 | A | A | -0.9508 | |
| 523 | L | A | 0.0000 | |
| 524 | I | A | -0.7449 | |
| 525 | D | A | -1.6826 | |
| 526 | A | A | -0.5627 | |
| 527 | C | A | -0.3473 | |
| 528 | I | A | -0.1867 | |
| 529 | E | A | -2.8252 | |
| 530 | E | A | -3.4677 | |
| 531 | D | A | -3.4857 | |
| 532 | G | A | -2.5737 | |
| 533 | K | A | -2.6647 | |
| 534 | L | A | -1.6697 | |
| 535 | Y | A | -0.5398 | |
| 536 | L | A | 0.0000 | |
| 537 | C | A | -0.6660 | |
| 538 | V | A | 0.0000 | |
| 539 | S | A | -1.5073 | |
| 540 | S | A | 0.0000 | |
| 541 | P | A | -0.6265 | |
| 542 | T | A | -0.3667 | |
| 543 | I | A | -0.8508 | |
| 544 | K | A | -2.4343 | |
| 545 | D | A | -2.6290 | |
| 546 | K | A | -1.7399 | |
| 547 | P | A | -0.8616 | |
| 548 | V | A | 0.0000 | |
| 549 | Q | A | -0.8260 | |
| 550 | I | A | 0.0000 | |
| 551 | R | A | -1.0157 | |
| 552 | P | A | -0.6678 | |
| 553 | W | A | 0.0000 | |
| 554 | N | A | -1.3617 | |
| 555 | L | A | -1.2778 | |
| 556 | S | A | -1.1212 | |
| 557 | D | A | -1.0840 | |
| 558 | S | A | -1.1358 | |
| 559 | D | A | -1.0665 | |
| 560 | F | A | 0.4711 | |
| 561 | V | A | 1.6578 | |
| 562 | M | A | 0.8912 | |
| 563 | D | A | -0.2262 | |
| 564 | G | A | -0.3306 | |
| 565 | S | A | -0.6693 | |
| 566 | Q | A | -0.8259 | |
| 567 | P | A | -0.4985 | |
| 568 | L | A | 0.2871 | |
| 569 | D | A | -0.8030 | |
| 570 | P | A | -0.4384 | |
| 571 | R | A | -0.9613 | |
| 572 | K | A | -1.0930 | |
| 573 | T | A | 0.0000 | |
| 574 | I | A | 0.0000 | |
| 575 | F | A | 0.0635 | |
| 576 | V | A | 0.0000 | |
| 577 | G | A | -1.1964 | |
| 578 | G | A | -1.5176 | |
| 579 | V | A | 0.0000 | |
| 580 | P | A | 0.0000 | |
| 581 | R | A | -1.6269 | |
| 582 | P | A | -0.9387 | |
| 583 | L | A | 0.0000 | |
| 584 | R | A | -1.2734 | |
| 585 | A | A | 0.0000 | |
| 586 | V | A | 0.2797 | |
| 587 | E | A | -0.3694 | |
| 588 | L | A | 0.0000 | |
| 589 | A | A | 0.0000 | |
| 590 | M | A | 0.0399 | |
| 591 | I | A | -0.3183 | |
| 592 | M | A | 0.0000 | |
| 593 | D | A | -0.7675 | |
| 594 | R | A | -1.2987 | |
| 595 | L | A | 0.3348 | |
| 596 | Y | A | -0.0726 | |
| 597 | G | A | -0.7122 | |
| 598 | G | A | -0.9351 | |
| 599 | V | A | 0.0000 | |
| 600 | C | A | 0.0000 | |
| 601 | Y | A | 0.6290 | |
| 602 | A | A | 0.0000 | |
| 603 | G | A | 0.0000 | |
| 604 | I | A | 0.0000 | |
| 605 | D | A | -1.4993 | |
| 606 | T | A | -1.7904 | |
| 607 | D | A | -1.8363 | |
| 608 | P | A | -1.5938 | |
| 609 | E | A | -2.3156 | |
| 610 | L | A | -1.6500 | |
| 611 | K | A | -2.0902 | |
| 612 | Y | A | -1.4836 | |
| 613 | P | A | 0.0000 | |
| 614 | K | A | -2.2948 | |
| 615 | G | A | -1.4014 | |
| 616 | A | A | -1.0910 | |
| 617 | G | A | 0.0000 | |
| 618 | R | A | -0.3965 | |
| 619 | V | A | 0.0000 | |
| 620 | A | A | 0.0000 | |
| 621 | F | A | 0.0000 | |
| 622 | S | A | -1.0239 | |
| 623 | N | A | -1.5979 | |
| 624 | Q | A | -2.1185 | |
| 625 | Q | A | -1.7722 | |
| 626 | S | A | 0.0000 | |
| 627 | Y | A | 0.0000 | |
| 628 | I | A | -0.0578 | |
| 629 | A | A | -0.0611 | |
| 630 | A | A | 0.0000 | |
| 631 | I | A | 0.0000 | |
| 632 | S | A | -0.1423 | |
| 633 | A | A | -0.4473 | |
| 634 | R | A | -1.2150 | |
| 635 | F | A | -1.1712 | |
| 636 | V | A | 0.0000 | |
| 637 | Q | A | -2.9644 | |
| 638 | L | A | 0.0000 | |
| 639 | Q | A | -3.0521 | |
| 640 | H | A | -2.0486 | |
| 641 | G | A | -1.8317 | |
| 642 | E | A | -2.5435 | |
| 643 | I | A | -1.8676 | |
| 644 | D | A | -3.6171 | |
| 645 | K | A | -3.6237 | |
| 646 | R | A | -3.5567 | |
| 647 | V | A | 0.0000 | |
| 648 | E | A | -2.4269 | |
| 649 | V | A | 0.0000 | |
| 650 | K | A | -1.0445 | |
| 651 | P | A | 0.0000 | |
| 652 | Y | A | 0.5236 | |
| 653 | V | A | 0.0429 | |
| 654 | L | A | -1.2164 | |
| 655 | D | A | -2.4534 | |
| 656 | D | A | -2.1837 | |
| 657 | Q | A | -1.1304 | |
| 658 | L | A | -0.6798 | |
| 659 | C | A | 0.0000 | |
| 660 | D | A | -1.6079 | |
| 661 | E | A | -2.3082 | |
| 662 | C | A | -1.7556 | |
| 663 | Q | A | -1.9917 | |
| 664 | G | A | 0.0000 | |
| 665 | A | A | -1.8140 | |
| 666 | R | A | -2.6115 | |
| 667 | C | A | -1.5542 | |
| 668 | G | A | -1.5330 | |
| 669 | G | A | -1.4524 | |
| 670 | K | A | -1.6539 | |
| 671 | F | A | 0.0879 | |
| 672 | A | A | -0.4581 | |
| 673 | P | A | -0.6316 | |
| 674 | F | A | 0.1879 | |
| 675 | F | A | 0.0000 | |
| 676 | C | A | 0.0000 | |
| 677 | A | A | -0.2278 | |
| 678 | N | A | -0.1057 | |
| 679 | V | A | 0.6815 | |
| 680 | T | A | 0.1925 | |
| 681 | C | A | 0.0000 | |
| 682 | L | A | 0.0720 | |
| 683 | Q | A | -0.6153 | |
| 684 | Y | A | 0.0000 | |
| 685 | Y | A | 0.0000 | |
| 686 | C | A | 0.0000 | |
| 687 | E | A | -1.4118 | |
| 688 | Y | A | -0.2416 | |
| 689 | C | A | -0.5415 | |
| 690 | W | A | -0.2899 | |
| 691 | A | A | -0.4367 | |
| 692 | A | A | -0.1649 | |
| 693 | I | A | -0.7576 | |
| 694 | H | A | 0.0000 | |
| 695 | S | A | -1.4602 | |
| 696 | R | A | -2.3605 | |
| 697 | A | A | -1.4641 | |
| 698 | G | A | -1.2552 | |
| 699 | R | A | -1.7245 | |
| 700 | E | A | -1.9825 | |
| 701 | F | A | 0.1666 | |
| 702 | H | A | 0.0000 | |
| 703 | K | A | -1.2498 | |
| 704 | P | A | -0.0546 | |
| 705 | L | A | 0.2932 | |
| 706 | V | A | 0.4904 | |
| 707 | K | A | -2.0287 | |
| 708 | E | A | -2.9212 | |
| 709 | G | A | -2.9707 | |
| 710 | G | A | -3.1950 | |
| 711 | D | A | -3.6203 | |
| 712 | R | A | -3.9545 | |
| 713 | P | A | -2.6127 | |
| 714 | R | A | -2.7054 | |
| 715 | H | A | -1.0813 | |
| 716 | I | A | 1.1752 | |
| 717 | S | A | 0.7674 | |
| 718 | F | A | 1.5643 | |
| 719 | R | A | -0.4541 | |
| 720 | W | A | 0.1820 | |
| 721 | N | A | -0.9607 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
pH |
Average A3D Score |
Max A3D Score |
|||
| 4.0 | -0.1026 | 7.3848 | View | CSV | PDB |
| 4.5 | -0.1704 | 7.3848 | View | CSV | PDB |
| 5.0 | -0.2519 | 7.3848 | View | CSV | PDB |
| 5.5 | -0.3307 | 7.3848 | View | CSV | PDB |
| 6.0 | -0.3905 | 7.3848 | View | CSV | PDB |
| 6.5 | -0.424 | 7.3848 | View | CSV | PDB |
| 7.0 | -0.4369 | 7.3848 | View | CSV | PDB |
| 7.5 | -0.44 | 7.3848 | View | CSV | PDB |
| 8.0 | -0.4385 | 7.3848 | View | CSV | PDB |
| 8.5 | -0.4307 | 7.3848 | View | CSV | PDB |
| 9.0 | -0.4133 | 7.3848 | View | CSV | PDB |
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