| Chain sequence(s) |
A: DTHKSEIAHRFKDLGEEHFKGLVLIAFSQYLQQCPFDEHVKLVNELTEFAKTCVADESHAGCEKSLHTLFGDELCKVASLRETYGDMADCCEKQEPERNECFLSHKDDSPDLPKLKPDPNTLCDEFKADEKKFWGKYLYEIARRHPYFYAPELLYYANKYNGVFQECCQAEDKGACLLPKIETMREKVLTSSARQRLRCASIQKFGERALKAWSVARLSQKFPKAEFVEVTKLVTDLTKVHKECCHGDLLECADDRADLAKYICDNQDTISSKLKECCDKPLLEKSHCIAEVEKDAIPENLPPLTADFAEDKDVCKNYQEAKDAFLGSFLYEYSRRHPEYAVSVLLRLAKEYEATLEECCAKDDPHACYSTVFDKLKHLVDEPQNLIKQNCDQFEKLGEYGFQNALIVRYTRKVPQVSTPTLVEVSRSLGKVGTRCCTKPESERMPCTEDYLSLILNRLCVLHEKTPVSEKVTKCCTESLVNRRPCFSALTPDETYVPKAFDEKLFTFHADICTLPDTEKQIKKQTALVELLKHKPKATEEQLKTVMENFVAFVDKCCAADDKEACFAVEGPKLVVSTQTALA
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | QN319A,EN541A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 1.59204 kcal/mol
CAUTION: Your mutation/s can destabilize the protein structure |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] FoldX: Building mutant model (00:12:16)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:12:45)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/250f64bd4ce80a2/tmp/folded.pdb (00:12:45)
[INFO] Main: Simulation completed successfully. (00:22:58)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | D | A | -2.2666 | |
| 2 | T | A | -1.9796 | |
| 3 | H | A | -2.7091 | |
| 4 | K | A | -3.5620 | |
| 5 | S | A | 0.0000 | |
| 6 | E | A | -2.3763 | |
| 7 | I | A | 0.0000 | |
| 8 | A | A | 0.0000 | |
| 9 | H | A | -2.5009 | |
| 10 | R | A | -2.1393 | |
| 11 | F | A | 0.0000 | |
| 12 | K | A | -3.1281 | |
| 13 | D | A | -3.1517 | |
| 14 | L | A | -2.3181 | |
| 15 | G | A | -2.4450 | |
| 16 | E | A | -3.0965 | |
| 17 | E | A | -2.8788 | |
| 18 | H | A | -2.1059 | |
| 19 | F | A | 0.0000 | |
| 20 | K | A | -1.9291 | |
| 21 | G | A | 0.0000 | |
| 22 | L | A | 0.0000 | |
| 23 | V | A | 0.0000 | |
| 24 | L | A | 0.0000 | |
| 25 | I | A | 0.0000 | |
| 26 | A | A | 0.0000 | |
| 27 | F | A | 0.0000 | |
| 28 | S | A | 0.0000 | |
| 29 | Q | A | 0.0000 | |
| 30 | Y | A | 0.0000 | |
| 31 | L | A | 0.0000 | |
| 32 | Q | A | 0.0000 | |
| 33 | Q | A | -1.5653 | |
| 34 | C | A | 0.0000 | |
| 35 | P | A | -1.0554 | |
| 36 | F | A | -1.4575 | |
| 37 | D | A | -2.4627 | |
| 38 | E | A | -1.9747 | |
| 39 | H | A | 0.0000 | |
| 40 | V | A | -2.0695 | |
| 41 | K | A | -2.8493 | |
| 42 | L | A | -2.0187 | |
| 43 | V | A | 0.0000 | |
| 44 | N | A | -2.7042 | |
| 45 | E | A | -3.1485 | |
| 46 | L | A | 0.0000 | |
| 47 | T | A | 0.0000 | |
| 48 | E | A | -2.9069 | |
| 49 | F | A | -1.5407 | |
| 50 | A | A | 0.0000 | |
| 51 | K | A | -2.1549 | |
| 52 | T | A | -1.5184 | |
| 53 | C | A | 0.0000 | |
| 54 | V | A | -1.0484 | |
| 55 | A | A | -1.0398 | |
| 56 | D | A | -2.3229 | |
| 57 | E | A | -2.9667 | |
| 58 | S | A | -2.1925 | |
| 59 | H | A | -2.0820 | |
| 60 | A | A | -1.3618 | |
| 61 | G | A | -1.4164 | |
| 62 | C | A | 0.0000 | |
| 63 | E | A | -3.3899 | |
| 64 | K | A | -2.1647 | |
| 65 | S | A | -1.3552 | |
| 66 | L | A | -0.6950 | |
| 67 | H | A | -0.7505 | |
| 68 | T | A | 0.0000 | |
| 69 | L | A | 0.0000 | |
| 70 | F | A | -0.1315 | |
| 71 | G | A | 0.0000 | |
| 72 | D | A | -0.8536 | |
| 73 | E | A | -1.1932 | |
| 74 | L | A | 0.0000 | |
| 75 | C | A | -1.4229 | |
| 76 | K | A | -1.7738 | |
| 77 | V | A | 0.0000 | |
| 78 | A | A | -0.9661 | |
| 79 | S | A | -1.4115 | |
| 80 | L | A | 0.0000 | |
| 81 | R | A | -3.4836 | |
| 82 | E | A | -3.0049 | |
| 83 | T | A | -1.9756 | |
| 84 | Y | A | -1.8199 | |
| 85 | G | A | -2.6512 | |
| 86 | D | A | -3.0420 | |
| 87 | M | A | 0.0000 | |
| 88 | A | A | -2.8574 | |
| 89 | D | A | -3.3979 | |
| 90 | C | A | 0.0000 | |
| 91 | C | A | -2.6143 | |
| 92 | E | A | -3.3055 | |
| 93 | K | A | -3.8254 | |
| 94 | Q | A | -3.3199 | |
| 95 | E | A | -3.2140 | |
| 96 | P | A | -2.7928 | |
| 97 | E | A | -3.6136 | |
| 98 | R | A | -3.3904 | |
| 99 | N | A | 0.0000 | |
| 100 | E | A | -2.8014 | |
| 101 | C | A | -1.8946 | |
| 102 | F | A | 0.0000 | |
| 103 | L | A | -0.7775 | |
| 104 | S | A | -0.8412 | |
| 105 | H | A | -1.0544 | |
| 106 | K | A | 0.0000 | |
| 107 | D | A | -1.8568 | |
| 108 | D | A | 0.0000 | |
| 109 | S | A | -1.2276 | |
| 110 | P | A | -1.6691 | |
| 111 | D | A | -2.3653 | |
| 112 | L | A | -1.3619 | |
| 113 | P | A | -1.2712 | |
| 114 | K | A | -1.7206 | |
| 115 | L | A | -0.3952 | |
| 116 | K | A | -1.8307 | |
| 117 | P | A | -1.3773 | |
| 118 | D | A | -2.1131 | |
| 119 | P | A | -2.2073 | |
| 120 | N | A | -2.5355 | |
| 121 | T | A | -2.0782 | |
| 122 | L | A | -2.1493 | |
| 123 | C | A | 0.0000 | |
| 124 | D | A | -3.7368 | |
| 125 | E | A | -4.0527 | |
| 126 | F | A | -3.7399 | |
| 127 | K | A | -3.8798 | |
| 128 | A | A | -3.1683 | |
| 129 | D | A | -4.1849 | |
| 130 | E | A | -4.4846 | |
| 131 | K | A | -3.9664 | |
| 132 | K | A | -3.3085 | |
| 133 | F | A | 0.0000 | |
| 134 | W | A | 0.0000 | |
| 135 | G | A | 0.0000 | |
| 136 | K | A | -1.6216 | |
| 137 | Y | A | -0.6908 | |
| 138 | L | A | 0.0000 | |
| 139 | Y | A | 0.0000 | |
| 140 | E | A | -0.2295 | |
| 141 | I | A | -0.0844 | |
| 142 | A | A | 0.0000 | |
| 143 | R | A | -0.7168 | |
| 144 | R | A | -1.0819 | |
| 145 | H | A | -0.3356 | |
| 146 | P | A | 0.0000 | |
| 147 | Y | A | -0.1012 | |
| 148 | F | A | 0.0000 | |
| 149 | Y | A | 0.0000 | |
| 150 | A | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | E | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | L | A | 0.0000 | |
| 155 | Y | A | 0.0000 | |
| 156 | Y | A | 0.0000 | |
| 157 | A | A | 0.0000 | |
| 158 | N | A | -1.8713 | |
| 159 | K | A | -2.0239 | |
| 160 | Y | A | 0.0000 | |
| 161 | N | A | -2.0395 | |
| 162 | G | A | -1.8437 | |
| 163 | V | A | -1.5634 | |
| 164 | F | A | 0.0000 | |
| 165 | Q | A | -2.8659 | |
| 166 | E | A | -2.7209 | |
| 167 | C | A | 0.0000 | |
| 168 | C | A | 0.0000 | |
| 169 | Q | A | -2.6046 | |
| 170 | A | A | -2.4487 | |
| 171 | E | A | -3.0837 | |
| 172 | D | A | -3.0811 | |
| 173 | K | A | -2.4731 | |
| 174 | G | A | -1.5241 | |
| 175 | A | A | -0.9807 | |
| 176 | C | A | -1.2511 | |
| 177 | L | A | 0.0000 | |
| 178 | L | A | -0.8886 | |
| 179 | P | A | -1.2887 | |
| 180 | K | A | -1.6705 | |
| 181 | I | A | 0.0000 | |
| 182 | E | A | -2.9532 | |
| 183 | T | A | -2.2863 | |
| 184 | M | A | 0.0000 | |
| 185 | R | A | -2.3149 | |
| 186 | E | A | -2.4248 | |
| 187 | K | A | -2.3704 | |
| 188 | V | A | 0.0000 | |
| 189 | L | A | 0.0988 | |
| 190 | T | A | -0.5076 | |
| 191 | S | A | -0.5342 | |
| 192 | S | A | 0.0000 | |
| 193 | A | A | -0.1619 | |
| 194 | R | A | -0.4615 | |
| 195 | Q | A | 0.0000 | |
| 196 | R | A | 0.0000 | |
| 197 | L | A | -0.2048 | |
| 198 | R | A | -0.6216 | |
| 199 | C | A | 0.0000 | |
| 200 | A | A | 0.0000 | |
| 201 | S | A | 0.0000 | |
| 202 | I | A | -1.7822 | |
| 203 | Q | A | -1.9573 | |
| 204 | K | A | -1.7450 | |
| 205 | F | A | -1.3780 | |
| 206 | G | A | -1.8789 | |
| 207 | E | A | -2.9086 | |
| 208 | R | A | -2.9740 | |
| 209 | A | A | -1.6902 | |
| 210 | L | A | 0.0000 | |
| 211 | K | A | -2.3403 | |
| 212 | A | A | -1.4000 | |
| 213 | W | A | -0.7242 | |
| 214 | S | A | 0.0000 | |
| 215 | V | A | 0.0000 | |
| 216 | A | A | 0.0000 | |
| 217 | R | A | -0.7675 | |
| 218 | L | A | 0.0000 | |
| 219 | S | A | 0.0000 | |
| 220 | Q | A | 0.0000 | |
| 221 | K | A | 0.0000 | |
| 222 | F | A | 0.0000 | |
| 223 | P | A | 0.0000 | |
| 224 | K | A | -1.5760 | |
| 225 | A | A | 0.0000 | |
| 226 | E | A | -1.4090 | |
| 227 | F | A | 0.0101 | |
| 228 | V | A | 1.0181 | |
| 229 | E | A | -0.3552 | |
| 230 | V | A | 0.0000 | |
| 231 | T | A | -0.4389 | |
| 232 | K | A | -1.0755 | |
| 233 | L | A | 0.0000 | |
| 234 | V | A | 0.0000 | |
| 235 | T | A | -1.4494 | |
| 236 | D | A | -2.1876 | |
| 237 | L | A | -1.3065 | |
| 238 | T | A | 0.0000 | |
| 239 | K | A | -2.2747 | |
| 240 | V | A | 0.0000 | |
| 241 | H | A | 0.0000 | |
| 242 | K | A | -1.8583 | |
| 243 | E | A | -1.4919 | |
| 244 | C | A | 0.0000 | |
| 245 | C | A | -0.7756 | |
| 246 | H | A | -1.1943 | |
| 247 | G | A | -0.7629 | |
| 248 | D | A | -0.7310 | |
| 249 | L | A | 0.0000 | |
| 250 | L | A | 0.0000 | |
| 251 | E | A | -1.3032 | |
| 252 | C | A | 0.0000 | |
| 253 | A | A | 0.0000 | |
| 254 | D | A | -1.8043 | |
| 255 | D | A | -2.3934 | |
| 256 | R | A | 0.0000 | |
| 257 | A | A | -1.7150 | |
| 258 | D | A | -2.8602 | |
| 259 | L | A | 0.0000 | |
| 260 | A | A | 0.0000 | |
| 261 | K | A | -2.6969 | |
| 262 | Y | A | -1.7109 | |
| 263 | I | A | 0.0000 | |
| 264 | C | A | -2.4448 | |
| 265 | D | A | -2.6026 | |
| 266 | N | A | -2.1149 | |
| 267 | Q | A | -2.2798 | |
| 268 | D | A | -2.7569 | |
| 269 | T | A | -1.8995 | |
| 270 | I | A | 0.0000 | |
| 271 | S | A | 0.0000 | |
| 272 | S | A | -2.1488 | |
| 273 | K | A | -2.6765 | |
| 274 | L | A | 0.0000 | |
| 275 | K | A | -3.5554 | |
| 276 | E | A | -3.4978 | |
| 277 | C | A | 0.0000 | |
| 278 | C | A | -2.8613 | |
| 279 | D | A | -3.1163 | |
| 280 | K | A | -2.3449 | |
| 281 | P | A | -0.8377 | |
| 282 | L | A | -0.1564 | |
| 283 | L | A | -0.1204 | |
| 284 | E | A | -1.0293 | |
| 285 | K | A | -1.5265 | |
| 286 | S | A | 0.0000 | |
| 287 | H | A | -0.7007 | |
| 288 | C | A | -1.4438 | |
| 289 | I | A | 0.0000 | |
| 290 | A | A | -1.2105 | |
| 291 | E | A | -2.3711 | |
| 292 | V | A | 0.0000 | |
| 293 | E | A | -3.0969 | |
| 294 | K | A | -2.5909 | |
| 295 | D | A | 0.0000 | |
| 296 | A | A | -0.5855 | |
| 297 | I | A | -0.2675 | |
| 298 | P | A | -1.0851 | |
| 299 | E | A | -2.1529 | |
| 300 | N | A | -1.9924 | |
| 301 | L | A | -0.9402 | |
| 302 | P | A | -0.9514 | |
| 303 | P | A | -0.6909 | |
| 304 | L | A | -0.6433 | |
| 305 | T | A | -1.0812 | |
| 306 | A | A | -1.6089 | |
| 307 | D | A | -2.8990 | |
| 308 | F | A | 0.0000 | |
| 309 | A | A | 0.0000 | |
| 310 | E | A | -3.2057 | |
| 311 | D | A | -3.5387 | |
| 312 | K | A | -3.5188 | |
| 313 | D | A | -3.1854 | |
| 314 | V | A | 0.0000 | |
| 315 | C | A | -2.5405 | |
| 316 | K | A | -3.5865 | |
| 317 | N | A | -3.3515 | |
| 318 | Y | A | 0.0000 | |
| 319 | N | A | -3.6357 | mutated: QN319A |
| 320 | E | A | -3.5405 | |
| 321 | A | A | -2.6147 | |
| 322 | K | A | -3.3256 | |
| 323 | D | A | -2.9649 | |
| 324 | A | A | -1.5069 | |
| 325 | F | A | -1.3677 | |
| 326 | L | A | -1.1267 | |
| 327 | G | A | -0.8651 | |
| 328 | S | A | -0.2770 | |
| 329 | F | A | 0.0000 | |
| 330 | L | A | 0.0000 | |
| 331 | Y | A | 0.0000 | |
| 332 | E | A | -0.6634 | |
| 333 | Y | A | 0.0000 | |
| 334 | S | A | 0.0000 | |
| 335 | R | A | -0.8548 | |
| 336 | R | A | -0.4453 | |
| 337 | H | A | -0.8040 | |
| 338 | P | A | -1.2481 | |
| 339 | E | A | -2.1569 | |
| 340 | Y | A | -0.9996 | |
| 341 | A | A | 0.0000 | |
| 342 | V | A | -0.1144 | |
| 343 | S | A | 0.0999 | |
| 344 | V | A | 0.0000 | |
| 345 | L | A | 0.0000 | |
| 346 | L | A | -0.1345 | |
| 347 | R | A | 0.0000 | |
| 348 | L | A | 0.0000 | |
| 349 | A | A | -0.9134 | |
| 350 | K | A | -1.6927 | |
| 351 | E | A | -1.5602 | |
| 352 | Y | A | 0.0000 | |
| 353 | E | A | -2.5314 | |
| 354 | A | A | -1.9956 | |
| 355 | T | A | 0.0000 | |
| 356 | L | A | 0.0000 | |
| 357 | E | A | -3.3191 | |
| 358 | E | A | -3.1130 | |
| 359 | C | A | 0.0000 | |
| 360 | C | A | -2.4615 | |
| 361 | A | A | -2.3807 | |
| 362 | K | A | -3.6431 | |
| 363 | D | A | -3.4611 | |
| 364 | D | A | -3.1926 | |
| 365 | P | A | -2.5578 | |
| 366 | H | A | -2.1030 | |
| 367 | A | A | -1.1765 | |
| 368 | C | A | -1.0387 | |
| 369 | Y | A | 0.0000 | |
| 370 | S | A | -1.0892 | |
| 371 | T | A | -0.9253 | |
| 372 | V | A | 0.0000 | |
| 373 | F | A | -1.5996 | |
| 374 | D | A | -3.0637 | |
| 375 | K | A | -2.7284 | |
| 376 | L | A | 0.0000 | |
| 377 | K | A | -3.3339 | |
| 378 | H | A | -3.2587 | |
| 379 | L | A | -2.2364 | |
| 380 | V | A | -2.0015 | |
| 381 | D | A | -3.4905 | |
| 382 | E | A | -3.3625 | |
| 383 | P | A | 0.0000 | |
| 384 | Q | A | -3.0021 | |
| 385 | N | A | -3.0283 | |
| 386 | L | A | -1.9056 | |
| 387 | I | A | 0.0000 | |
| 388 | K | A | -3.5239 | |
| 389 | Q | A | -2.9946 | |
| 390 | N | A | -2.4256 | |
| 391 | C | A | 0.0000 | |
| 392 | D | A | -3.5855 | |
| 393 | Q | A | -2.7306 | |
| 394 | F | A | 0.0000 | |
| 395 | E | A | -3.2820 | |
| 396 | K | A | -2.9517 | |
| 397 | L | A | -1.0843 | |
| 398 | G | A | -1.3495 | |
| 399 | E | A | -1.3394 | |
| 400 | Y | A | 0.0975 | |
| 401 | G | A | -0.3132 | |
| 402 | F | A | 0.0000 | |
| 403 | Q | A | 0.0000 | |
| 404 | N | A | -0.2294 | |
| 405 | A | A | -0.4244 | |
| 406 | L | A | 0.0000 | |
| 407 | I | A | 0.0000 | |
| 408 | V | A | -0.5586 | |
| 409 | R | A | -0.9590 | |
| 410 | Y | A | -0.4489 | |
| 411 | T | A | 0.0000 | |
| 412 | R | A | -1.3116 | |
| 413 | K | A | -0.7950 | |
| 414 | V | A | 0.0000 | |
| 415 | P | A | 0.0000 | |
| 416 | Q | A | -1.2489 | |
| 417 | V | A | 0.0000 | |
| 418 | S | A | -0.4935 | |
| 419 | T | A | 0.0000 | |
| 420 | P | A | -0.7128 | |
| 421 | T | A | -0.9085 | |
| 422 | L | A | 0.0000 | |
| 423 | V | A | 0.0000 | |
| 424 | E | A | -1.9983 | |
| 425 | V | A | 0.0000 | |
| 426 | S | A | 0.0000 | |
| 427 | R | A | -1.1270 | |
| 428 | S | A | -0.9518 | |
| 429 | L | A | 0.0000 | |
| 430 | G | A | 0.0000 | |
| 431 | K | A | -1.1204 | |
| 432 | V | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | T | A | -1.0213 | |
| 435 | R | A | -0.6942 | |
| 436 | C | A | 0.0000 | |
| 437 | C | A | 0.0000 | |
| 438 | T | A | -1.2333 | |
| 439 | K | A | -1.8024 | |
| 440 | P | A | -2.1129 | |
| 441 | E | A | -3.0377 | |
| 442 | S | A | -2.4576 | |
| 443 | E | A | -2.9678 | |
| 444 | R | A | -2.3368 | |
| 445 | M | A | 0.0000 | |
| 446 | P | A | -1.0660 | |
| 447 | C | A | -0.6977 | |
| 448 | T | A | 0.0000 | |
| 449 | E | A | 0.0000 | |
| 450 | D | A | -0.3084 | |
| 451 | Y | A | -0.0956 | |
| 452 | L | A | 0.0862 | |
| 453 | S | A | -0.0778 | |
| 454 | L | A | 0.0000 | |
| 455 | I | A | -0.2790 | |
| 456 | L | A | 0.0000 | |
| 457 | N | A | 0.0000 | |
| 458 | R | A | -0.9592 | |
| 459 | L | A | 0.0000 | |
| 460 | C | A | 0.0000 | |
| 461 | V | A | 0.0000 | |
| 462 | L | A | -0.9258 | |
| 463 | H | A | 0.0000 | |
| 464 | E | A | -1.7033 | |
| 465 | K | A | -1.8407 | |
| 466 | T | A | -0.9164 | |
| 467 | P | A | -1.0804 | |
| 468 | V | A | -0.5578 | |
| 469 | S | A | 0.0000 | |
| 470 | E | A | -2.2229 | |
| 471 | K | A | -1.4891 | |
| 472 | V | A | 0.0000 | |
| 473 | T | A | -1.6814 | |
| 474 | K | A | -2.0776 | |
| 475 | C | A | 0.0000 | |
| 476 | C | A | 0.0000 | |
| 477 | T | A | -1.5093 | |
| 478 | E | A | -2.0758 | |
| 479 | S | A | -1.1422 | |
| 480 | L | A | -0.2016 | |
| 481 | V | A | -0.0993 | |
| 482 | N | A | -0.4698 | |
| 483 | R | A | 0.0000 | |
| 484 | R | A | 0.0000 | |
| 485 | P | A | -0.1894 | |
| 486 | C | A | -0.2670 | |
| 487 | F | A | 0.0000 | |
| 488 | S | A | 0.0661 | |
| 489 | A | A | 0.1083 | |
| 490 | L | A | -0.0369 | |
| 491 | T | A | -0.6600 | |
| 492 | P | A | -1.3485 | |
| 493 | D | A | -1.3425 | |
| 494 | E | A | -2.0109 | |
| 495 | T | A | -0.6677 | |
| 496 | Y | A | -0.1523 | |
| 497 | V | A | 0.9692 | |
| 498 | P | A | -0.4091 | |
| 499 | K | A | -1.1578 | |
| 500 | A | A | -0.5808 | |
| 501 | F | A | -0.9090 | |
| 502 | D | A | -2.1039 | |
| 503 | E | A | -2.7308 | |
| 504 | K | A | -2.5250 | |
| 505 | L | A | -1.1492 | |
| 506 | F | A | -0.7823 | |
| 507 | T | A | -1.0215 | |
| 508 | F | A | -1.0728 | |
| 509 | H | A | -1.9313 | |
| 510 | A | A | -2.0291 | |
| 511 | D | A | -2.3050 | |
| 512 | I | A | 0.0000 | |
| 513 | C | A | -1.0781 | |
| 514 | T | A | -1.0273 | |
| 515 | L | A | -1.1390 | |
| 516 | P | A | -1.4246 | |
| 517 | D | A | -2.2674 | |
| 518 | T | A | -1.4534 | |
| 519 | E | A | -1.6314 | |
| 520 | K | A | -2.0052 | |
| 521 | Q | A | -1.2732 | |
| 522 | I | A | -1.1487 | |
| 523 | K | A | -1.3937 | |
| 524 | K | A | -0.7547 | |
| 525 | Q | A | 0.0000 | |
| 526 | T | A | -0.5659 | |
| 527 | A | A | -0.2176 | |
| 528 | L | A | 0.0000 | |
| 529 | V | A | 0.0000 | |
| 530 | E | A | -0.5082 | |
| 531 | L | A | 0.0000 | |
| 532 | L | A | 0.0000 | |
| 533 | K | A | 0.0000 | |
| 534 | H | A | -0.8756 | |
| 535 | K | A | -1.1882 | |
| 536 | P | A | -1.3782 | |
| 537 | K | A | -2.3403 | |
| 538 | A | A | 0.0000 | |
| 539 | T | A | -2.2028 | |
| 540 | E | A | -3.2216 | |
| 541 | N | A | -2.9566 | mutated: EN541A |
| 542 | Q | A | -2.1215 | |
| 543 | L | A | 0.0000 | |
| 544 | K | A | -3.2765 | |
| 545 | T | A | -2.2780 | |
| 546 | V | A | 0.0000 | |
| 547 | M | A | -1.1169 | |
| 548 | E | A | -2.0098 | |
| 549 | N | A | -1.3823 | |
| 550 | F | A | -0.6057 | |
| 551 | V | A | -0.0792 | |
| 552 | A | A | -0.9524 | |
| 553 | F | A | 0.0000 | |
| 554 | V | A | -0.8227 | |
| 555 | D | A | -1.8862 | |
| 556 | K | A | -2.0695 | |
| 557 | C | A | 0.0000 | |
| 558 | C | A | -1.7811 | |
| 559 | A | A | -1.3723 | |
| 560 | A | A | -2.1010 | |
| 561 | D | A | -2.7587 | |
| 562 | D | A | -3.0077 | |
| 563 | K | A | -2.8142 | |
| 564 | E | A | -2.8157 | |
| 565 | A | A | -1.3497 | |
| 566 | C | A | -1.2015 | |
| 567 | F | A | 0.0000 | |
| 568 | A | A | -0.1283 | |
| 569 | V | A | 0.8962 | |
| 570 | E | A | -0.2758 | |
| 571 | G | A | 0.0223 | |
| 572 | P | A | -0.3139 | |
| 573 | K | A | -0.8463 | |
| 574 | L | A | -0.0891 | |
| 575 | V | A | 0.2832 | |
| 576 | V | A | 1.1040 | |
| 577 | S | A | 0.1057 | |
| 578 | T | A | -0.0086 | |
| 579 | Q | A | 0.1644 | |
| 580 | T | A | 0.1796 | |
| 581 | A | A | 0.0028 | |
| 582 | L | A | 0.0000 | |
| 583 | A | A | -0.2086 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is globular. Max score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.8969 | 2.6703 | View | CSV | PDB |
| 4.5 | -1.0138 | 2.6136 | View | CSV | PDB |
| 5.0 | -1.1585 | 2.5483 | View | CSV | PDB |
| 5.5 | -1.3047 | 2.4798 | View | CSV | PDB |
| 6.0 | -1.4249 | 2.4109 | View | CSV | PDB |
| 6.5 | -1.4988 | 2.3433 | View | CSV | PDB |
| 7.0 | -1.5234 | 2.2778 | View | CSV | PDB |
| 7.5 | -1.512 | 2.2145 | View | CSV | PDB |
| 8.0 | -1.4794 | 2.1544 | View | CSV | PDB |
| 8.5 | -1.4311 | 2.1017 | View | CSV | PDB |
| 9.0 | -1.3652 | 2.068 | 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