| Chain sequence(s) |
A: DTHKSEIAHRFKDLGEEHFKGLVLIAFSQYLQQCPFDEHVKLVNELTEFAKTCVADESHAGCEKSLHTLFGDELCKVASLRETYGDMADCCEKQEPERNECFLSHKDDSPDLPKLKPDPNTLCDEFKADEKKFWGKYLYEIARRHPYFYAPELLYYANKYNGVFQECCQAEDKGACLLPKIETMREKVLTSSARQRLRCASIQKFGERALKAWSVARLSQKFPKAEFVEVTKLVTDLTKVHKECCHGDLLECADDRADLAKYICDNQDTISSKLKECCDKPLLEKSHCIAEVEKDAIPENLPPLTADFAEDKDVCKNYQEAKDAFLGSFLYEYSRRHPEYAVSVLLRLAKEYEATLEECCAKDDPHACYSTVFDKLKHLVDEPQNLIKQNCDQFEKLGEYGFQNALIVRYTRKVPQVSTPTLVEVSRSLGKVGTRCCTKPESERMPCTEDYLSLILNRLCVLHEKTPVSEKVTKCCTESLVNRRPCFSALTPDETYVPKAFDEKLFTFHADICTLPDTEKQIKKQTALVELLKHKPKATEEQLKTVMENFVAFVDKCCAADDKEACFAVEGPKLVVSTQTALA
B: DTHKSEIAHRFKDLGEEHFKGLVLIAFSQYLQQCPFDEHVKLVNELTEFAKTCVADESHAGCEKSLHTLFGDELCKVASLRETYGDMADCCEKQEPERNECFLSHKDDSPDLPKLKPDPNTLCDEFKADEKKFWGKYLYEIARRHPYFYAPELLYYANKYNGVFQECCQAEDKGACLLPKIETMREKVLTSSARQRLRCASIQKFGERALKAWSVARLSQKFPKAEFVEVTKLVTDLTKVHKECCHGDLLECADDRADLAKYICDNQDTISSKLKECCDKPLLEKSHCIAEVEKDAIPENLPPLTADFAEDKDVCKNYQEAKDAFLGSFLYEYSRRHPEYAVSVLLRLAKEYEATLEECCAKDDPHACYSTVFDKLKHLVDEPQNLIKQNCDQFEKLGEYGFQNALIVRYTRKVPQVSTPTLVEVSRSLGKVGTRCCTKPESERMPCTEDYLSLILNRLCVLHEKTPVSEKVTKCCTESLVNRRPCFSALTPDETYVPKAFDEKLFTFHADICTLPDTEKQIKKQTALVELLKHKPKATEEQLKTVMENFVAFVDKCCAADDKEACFAVEGPKLVVSTQTALA input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | VT342A,SA343A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 0.147369 kcal/mol |
| 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 all 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. (00:00:07)
[INFO] FoldX: Starting FoldX energy minimization (00:00:07)
[INFO] FoldX: Building mutant model (00:20:13)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:20:42)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/bc255055d47245e/tmp/folded.pdb (00:20:42)
[INFO] Main: Simulation completed successfully. (00:39:52)
|
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 | -2.6716 | |
| 4 | K | A | -3.6415 | |
| 5 | S | A | 0.0000 | |
| 6 | E | A | -2.3207 | |
| 7 | I | A | 0.0000 | |
| 8 | A | A | 0.0000 | |
| 9 | H | A | -2.2799 | |
| 10 | R | A | -2.0075 | |
| 11 | F | A | -2.4171 | |
| 12 | K | A | -3.1098 | |
| 13 | D | A | -3.0993 | |
| 14 | L | A | -2.2401 | |
| 15 | G | A | -2.4750 | |
| 16 | E | A | -3.3487 | |
| 17 | E | A | -2.6604 | |
| 18 | H | A | -1.9001 | |
| 19 | F | A | 0.0000 | |
| 20 | K | A | -1.8654 | |
| 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 | -0.2172 | |
| 31 | L | A | 0.0000 | |
| 32 | Q | A | 0.0000 | |
| 33 | Q | A | -1.5324 | |
| 34 | C | A | 0.0000 | |
| 35 | P | A | -1.0506 | |
| 36 | F | A | -1.3719 | |
| 37 | D | A | -2.3528 | |
| 38 | E | A | -1.8383 | |
| 39 | H | A | 0.0000 | |
| 40 | V | A | -1.8698 | |
| 41 | K | A | -2.4965 | |
| 42 | L | A | 0.0000 | |
| 43 | V | A | 0.0000 | |
| 44 | N | A | -2.5773 | |
| 45 | E | A | -2.8364 | |
| 46 | L | A | 0.0000 | |
| 47 | T | A | 0.0000 | |
| 48 | E | A | -2.8615 | |
| 49 | F | A | -1.4833 | |
| 50 | A | A | 0.0000 | |
| 51 | K | A | -2.3777 | |
| 52 | T | A | -1.6407 | |
| 53 | C | A | 0.0000 | |
| 54 | V | A | -1.2053 | |
| 55 | A | A | -1.1375 | |
| 56 | D | A | -2.4103 | |
| 57 | E | A | -3.4663 | |
| 58 | S | A | -2.4127 | |
| 59 | H | A | -2.1945 | |
| 60 | A | A | -1.4180 | |
| 61 | G | A | -1.4584 | |
| 62 | C | A | 0.0000 | |
| 63 | E | A | -3.5219 | |
| 64 | K | A | -2.2675 | |
| 65 | S | A | -1.3237 | |
| 66 | L | A | 0.0000 | |
| 67 | H | A | -0.5914 | |
| 68 | T | A | -0.7891 | |
| 69 | L | A | -0.5207 | |
| 70 | F | A | -0.1390 | |
| 71 | G | A | 0.0000 | |
| 72 | D | A | -0.8476 | |
| 73 | E | A | -1.2449 | |
| 74 | L | A | 0.0000 | |
| 75 | C | A | -1.5001 | |
| 76 | K | A | -1.8447 | |
| 77 | V | A | 0.0000 | |
| 78 | A | A | -0.9742 | |
| 79 | S | A | -1.4178 | |
| 80 | L | A | 0.0000 | |
| 81 | R | A | -3.4941 | |
| 82 | E | A | -3.0085 | |
| 83 | T | A | -1.9777 | |
| 84 | Y | A | -1.8213 | |
| 85 | G | A | -2.6674 | |
| 86 | D | A | -3.0540 | |
| 87 | M | A | 0.0000 | |
| 88 | A | A | -2.8347 | |
| 89 | D | A | -3.3495 | |
| 90 | C | A | 0.0000 | |
| 91 | C | A | -2.4686 | |
| 92 | E | A | -3.2303 | |
| 93 | K | A | -3.4900 | |
| 94 | Q | A | -2.8334 | |
| 95 | E | A | -2.3200 | |
| 96 | P | A | -2.3361 | |
| 97 | E | A | -3.4785 | |
| 98 | R | A | 0.0000 | |
| 99 | N | A | 0.0000 | |
| 100 | E | A | -2.7116 | |
| 101 | C | A | -1.9231 | |
| 102 | F | A | 0.0000 | |
| 103 | L | A | -0.7170 | |
| 104 | S | A | -0.8455 | |
| 105 | H | A | -1.0466 | |
| 106 | K | A | 0.0000 | |
| 107 | D | A | -1.9019 | |
| 108 | D | A | 0.0000 | |
| 109 | S | A | -1.2512 | |
| 110 | P | A | -1.6316 | |
| 111 | D | A | -2.2917 | |
| 112 | L | A | -1.2039 | |
| 113 | P | A | -1.1879 | |
| 114 | K | A | -1.6677 | |
| 115 | L | A | -0.2954 | |
| 116 | K | A | -1.7204 | |
| 117 | P | A | -1.1445 | |
| 118 | D | A | -1.6924 | |
| 119 | P | A | -1.9865 | |
| 120 | N | A | -2.4292 | |
| 121 | T | A | -1.9975 | |
| 122 | L | A | -2.0835 | |
| 123 | C | A | 0.0000 | |
| 124 | D | A | -3.7397 | |
| 125 | E | A | -3.9967 | |
| 126 | F | A | 0.0000 | |
| 127 | K | A | -3.7285 | |
| 128 | A | A | -3.0053 | |
| 129 | D | A | -3.7687 | |
| 130 | E | A | -3.7257 | |
| 131 | K | A | -3.6047 | |
| 132 | K | A | -3.1953 | |
| 133 | F | A | 0.0000 | |
| 134 | W | A | 0.0000 | |
| 135 | G | A | 0.0000 | |
| 136 | K | A | -1.5946 | |
| 137 | Y | A | -0.6357 | |
| 138 | L | A | 0.0000 | |
| 139 | Y | A | 0.0000 | |
| 140 | E | A | -0.2098 | |
| 141 | I | A | -0.2898 | |
| 142 | A | A | 0.0000 | |
| 143 | R | A | -0.6910 | |
| 144 | R | A | -1.0692 | |
| 145 | H | A | -0.4731 | |
| 146 | P | A | 0.0000 | |
| 147 | Y | A | -0.0977 | |
| 148 | F | A | 0.0000 | |
| 149 | Y | A | 0.0000 | |
| 150 | A | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | E | A | -0.3784 | |
| 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 | -1.6207 | |
| 159 | K | A | -1.8627 | |
| 160 | Y | A | 0.0000 | |
| 161 | N | A | 0.0000 | |
| 162 | G | A | -1.7160 | |
| 163 | V | A | 0.0000 | |
| 164 | F | A | 0.0000 | |
| 165 | Q | A | -2.7710 | |
| 166 | E | A | -2.6897 | |
| 167 | C | A | -2.2827 | |
| 168 | C | A | 0.0000 | |
| 169 | Q | A | -2.5712 | |
| 170 | A | A | -2.4105 | |
| 171 | E | A | -3.0677 | |
| 172 | D | A | -3.0593 | |
| 173 | K | A | -2.4438 | |
| 174 | G | A | -1.4196 | |
| 175 | A | A | -0.9651 | |
| 176 | C | A | -1.1881 | |
| 177 | L | A | 0.0000 | |
| 178 | L | A | -0.8462 | |
| 179 | P | A | -1.5299 | |
| 180 | K | A | -2.2230 | |
| 181 | I | A | -2.3587 | |
| 182 | E | A | -3.3936 | |
| 183 | T | A | -2.7028 | |
| 184 | M | A | 0.0000 | |
| 185 | R | A | -3.6288 | |
| 186 | E | A | -3.1336 | |
| 187 | K | A | -2.8913 | |
| 188 | V | A | 0.0000 | |
| 189 | L | A | -0.8582 | |
| 190 | T | A | -1.0808 | |
| 191 | S | A | -0.9961 | |
| 192 | S | A | 0.0000 | |
| 193 | A | A | -0.5569 | |
| 194 | R | A | -0.8502 | |
| 195 | Q | A | 0.0000 | |
| 196 | R | A | -0.5082 | |
| 197 | L | A | -0.4098 | |
| 198 | R | A | -0.7045 | |
| 199 | C | A | 0.0000 | |
| 200 | A | A | 0.0000 | |
| 201 | S | A | 0.0000 | |
| 202 | I | A | -1.5826 | |
| 203 | Q | A | -1.7523 | |
| 204 | K | A | -1.3875 | |
| 205 | F | A | -1.0329 | |
| 206 | G | A | -1.6713 | |
| 207 | E | A | -2.6746 | |
| 208 | R | A | -2.8337 | |
| 209 | A | A | -1.5846 | |
| 210 | L | A | 0.0000 | |
| 211 | K | A | -2.1852 | |
| 212 | A | A | -1.2959 | |
| 213 | W | A | -0.6830 | |
| 214 | S | A | 0.0000 | |
| 215 | V | A | 0.0000 | |
| 216 | A | A | 0.0000 | |
| 217 | R | A | -0.5977 | |
| 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 | -1.6079 | |
| 225 | A | A | 0.0000 | |
| 226 | E | A | -1.5814 | |
| 227 | F | A | -0.2080 | |
| 228 | V | A | 0.8989 | |
| 229 | E | A | -0.4685 | |
| 230 | V | A | 0.0000 | |
| 231 | T | A | -0.4963 | |
| 232 | K | A | -1.1086 | |
| 233 | L | A | 0.0000 | |
| 234 | V | A | 0.0000 | |
| 235 | T | A | -1.3380 | |
| 236 | D | A | -1.8895 | |
| 237 | L | A | 0.0000 | |
| 238 | T | A | 0.0000 | |
| 239 | K | A | -1.9014 | |
| 240 | V | A | 0.0000 | |
| 241 | H | A | 0.0000 | |
| 242 | K | A | -1.6548 | |
| 243 | E | A | -1.2844 | |
| 244 | C | A | 0.0000 | |
| 245 | C | A | -0.7064 | |
| 246 | H | A | -1.0906 | |
| 247 | G | A | -0.6812 | |
| 248 | D | A | -0.7160 | |
| 249 | L | A | 0.0000 | |
| 250 | L | A | 0.0000 | |
| 251 | E | A | -1.1847 | |
| 252 | C | A | 0.0000 | |
| 253 | A | A | 0.0000 | |
| 254 | D | A | -1.6355 | |
| 255 | D | A | -2.0309 | |
| 256 | R | A | -1.5105 | |
| 257 | A | A | -1.6627 | |
| 258 | D | A | -2.6877 | |
| 259 | L | A | 0.0000 | |
| 260 | A | A | 0.0000 | |
| 261 | K | A | -2.5086 | |
| 262 | Y | A | -1.6290 | |
| 263 | I | A | 0.0000 | |
| 264 | C | A | -2.3716 | |
| 265 | D | A | -2.5389 | |
| 266 | N | A | -2.0641 | |
| 267 | Q | A | -2.1889 | |
| 268 | D | A | -2.7009 | |
| 269 | T | A | -1.8927 | |
| 270 | I | A | 0.0000 | |
| 271 | S | A | 0.0000 | |
| 272 | S | A | -1.9727 | |
| 273 | K | A | -2.4846 | |
| 274 | L | A | 0.0000 | |
| 275 | K | A | -3.5461 | |
| 276 | E | A | -3.5569 | |
| 277 | C | A | 0.0000 | |
| 278 | C | A | -2.9794 | |
| 279 | D | A | -3.4147 | |
| 280 | K | A | -3.0009 | |
| 281 | P | A | -1.2087 | |
| 282 | L | A | -0.4198 | |
| 283 | L | A | 0.0000 | |
| 284 | E | A | -1.3750 | |
| 285 | K | A | -1.8114 | |
| 286 | S | A | 0.0000 | |
| 287 | H | A | -0.8734 | |
| 288 | C | A | -1.5509 | |
| 289 | I | A | 0.0000 | |
| 290 | A | A | -1.2036 | |
| 291 | E | A | -2.3616 | |
| 292 | V | A | 0.0000 | |
| 293 | E | A | -3.0383 | |
| 294 | K | A | -2.5061 | |
| 295 | D | A | 0.0000 | |
| 296 | A | A | -0.5496 | |
| 297 | I | A | -0.2318 | |
| 298 | P | A | -1.0700 | |
| 299 | E | A | -2.1564 | |
| 300 | N | A | -2.0002 | |
| 301 | L | A | -0.9582 | |
| 302 | P | A | -0.9473 | |
| 303 | P | A | -0.6694 | |
| 304 | L | A | -0.5946 | |
| 305 | T | A | -0.9941 | |
| 306 | A | A | -1.4548 | |
| 307 | D | A | -2.7078 | |
| 308 | F | A | 0.0000 | |
| 309 | A | A | 0.0000 | |
| 310 | E | A | -3.1747 | |
| 311 | D | A | -3.5206 | |
| 312 | K | A | -3.7034 | |
| 313 | D | A | -3.6642 | |
| 314 | V | A | 0.0000 | |
| 315 | C | A | -2.8094 | |
| 316 | K | A | -3.8632 | |
| 317 | N | A | -3.7687 | |
| 318 | Y | A | 0.0000 | |
| 319 | Q | A | -3.6867 | |
| 320 | E | A | -3.6190 | |
| 321 | A | A | -2.6844 | |
| 322 | K | A | -3.3463 | |
| 323 | D | A | -2.7929 | |
| 324 | A | A | -1.5454 | |
| 325 | F | A | 0.0000 | |
| 326 | L | A | -1.1905 | |
| 327 | G | A | -0.8938 | |
| 328 | S | A | -0.3408 | |
| 329 | F | A | 0.0000 | |
| 330 | L | A | 0.0000 | |
| 331 | Y | A | 0.0000 | |
| 332 | E | A | -0.6368 | |
| 333 | Y | A | 0.0000 | |
| 334 | S | A | 0.0000 | |
| 335 | R | A | 0.0000 | |
| 336 | R | A | -0.3593 | |
| 337 | H | A | -0.7706 | |
| 338 | P | A | -1.2052 | |
| 339 | E | A | -2.1605 | |
| 340 | Y | A | -1.0418 | |
| 341 | A | A | 0.0000 | |
| 342 | T | A | -0.3316 | mutated: VT342A |
| 343 | A | A | -0.1193 | mutated: SA343A |
| 344 | V | A | 0.0000 | |
| 345 | L | A | 0.0000 | |
| 346 | L | A | -0.5078 | |
| 347 | R | A | 0.0000 | |
| 348 | L | A | 0.0000 | |
| 349 | A | A | -1.1424 | |
| 350 | K | A | -2.3053 | |
| 351 | E | A | -2.0007 | |
| 352 | Y | A | 0.0000 | |
| 353 | E | A | -2.3456 | |
| 354 | A | A | -1.9923 | |
| 355 | T | A | 0.0000 | |
| 356 | L | A | 0.0000 | |
| 357 | E | A | -3.2108 | |
| 358 | E | A | -3.0535 | |
| 359 | C | A | 0.0000 | |
| 360 | C | A | -2.5144 | |
| 361 | A | A | -2.3966 | |
| 362 | K | A | -3.6688 | |
| 363 | D | A | -3.4865 | |
| 364 | D | A | -3.2441 | |
| 365 | P | A | -2.6422 | |
| 366 | H | A | -2.3074 | |
| 367 | A | A | -1.2417 | |
| 368 | C | A | -1.0606 | |
| 369 | Y | A | 0.0000 | |
| 370 | S | A | -1.1192 | |
| 371 | T | A | -1.0732 | |
| 372 | V | A | 0.0000 | |
| 373 | F | A | -1.7924 | |
| 374 | D | A | -3.3387 | |
| 375 | K | A | -3.3123 | |
| 376 | L | A | 0.0000 | |
| 377 | K | A | -3.4926 | |
| 378 | H | A | -3.4055 | |
| 379 | L | A | -2.3253 | |
| 380 | V | A | -2.0294 | |
| 381 | D | A | -3.5040 | |
| 382 | E | A | -3.3760 | |
| 383 | P | A | 0.0000 | |
| 384 | Q | A | -3.1391 | |
| 385 | N | A | -3.1016 | |
| 386 | L | A | -1.9694 | |
| 387 | I | A | 0.0000 | |
| 388 | K | A | -3.6719 | |
| 389 | Q | A | -3.1665 | |
| 390 | N | A | -2.6201 | |
| 391 | C | A | 0.0000 | |
| 392 | D | A | -3.9631 | |
| 393 | Q | A | -3.0479 | |
| 394 | F | A | 0.0000 | |
| 395 | E | A | -3.4824 | |
| 396 | K | A | -3.1552 | |
| 397 | L | A | -1.3042 | |
| 398 | G | A | -1.5504 | |
| 399 | E | A | -1.5788 | |
| 400 | Y | A | -0.2357 | |
| 401 | G | A | -0.4377 | |
| 402 | F | A | 0.0000 | |
| 403 | Q | A | 0.0000 | |
| 404 | N | A | -0.2744 | |
| 405 | A | A | -0.4715 | |
| 406 | L | A | 0.0000 | |
| 407 | I | A | 0.0000 | |
| 408 | V | A | -0.5522 | |
| 409 | R | A | -0.8511 | |
| 410 | Y | A | 0.0000 | |
| 411 | T | A | 0.0000 | |
| 412 | R | A | -1.2523 | |
| 413 | K | A | 0.0000 | |
| 414 | V | A | 0.0000 | |
| 415 | P | A | 0.0000 | |
| 416 | Q | A | -1.3068 | |
| 417 | V | A | 0.0000 | |
| 418 | S | A | -0.5002 | |
| 419 | T | A | 0.0000 | |
| 420 | P | A | -0.7102 | |
| 421 | T | A | -0.9120 | |
| 422 | L | A | 0.0000 | |
| 423 | V | A | 0.0000 | |
| 424 | E | A | -2.0170 | |
| 425 | V | A | 0.0000 | |
| 426 | S | A | 0.0000 | |
| 427 | R | A | -1.1655 | |
| 428 | S | A | -1.0264 | |
| 429 | L | A | 0.0000 | |
| 430 | G | A | 0.0000 | |
| 431 | K | A | -1.2604 | |
| 432 | V | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | T | A | -1.0799 | |
| 435 | R | A | -0.7233 | |
| 436 | C | A | 0.0000 | |
| 437 | C | A | 0.0000 | |
| 438 | T | A | -1.2392 | |
| 439 | K | A | -1.8141 | |
| 440 | P | A | -2.1186 | |
| 441 | E | A | -3.0476 | |
| 442 | S | A | -2.4729 | |
| 443 | E | A | -2.9589 | |
| 444 | R | A | -2.4079 | |
| 445 | M | A | 0.0000 | |
| 446 | P | A | -1.0910 | |
| 447 | C | A | -0.6705 | |
| 448 | T | A | 0.0000 | |
| 449 | E | A | 0.0000 | |
| 450 | D | A | -0.2677 | |
| 451 | Y | A | -0.1395 | |
| 452 | L | A | 0.0423 | |
| 453 | S | A | -0.2476 | |
| 454 | L | A | 0.0000 | |
| 455 | I | A | 0.0000 | |
| 456 | L | A | 0.0000 | |
| 457 | N | A | 0.0000 | |
| 458 | R | A | -1.1141 | |
| 459 | L | A | 0.0000 | |
| 460 | C | A | 0.0000 | |
| 461 | V | A | 0.0000 | |
| 462 | L | A | -1.0272 | |
| 463 | H | A | 0.0000 | |
| 464 | E | A | -1.8453 | |
| 465 | K | A | -2.1743 | |
| 466 | T | A | -1.0675 | |
| 467 | P | A | -1.1632 | |
| 468 | V | A | -0.5976 | |
| 469 | S | A | 0.0000 | |
| 470 | E | A | -2.2335 | |
| 471 | K | A | -1.4929 | |
| 472 | V | A | 0.0000 | |
| 473 | T | A | -1.6575 | |
| 474 | K | A | -2.0370 | |
| 475 | C | A | 0.0000 | |
| 476 | C | A | 0.0000 | |
| 477 | T | A | -1.4314 | |
| 478 | E | A | -2.1721 | |
| 479 | S | A | -1.4061 | |
| 480 | L | A | -0.4324 | |
| 481 | V | A | 0.0000 | |
| 482 | N | A | -1.2298 | |
| 483 | R | A | 0.0000 | |
| 484 | R | A | 0.0000 | |
| 485 | P | A | -0.4038 | |
| 486 | C | A | -0.4514 | |
| 487 | F | A | 0.0000 | |
| 488 | S | A | 0.0425 | |
| 489 | A | A | 0.1132 | |
| 490 | L | A | -0.0321 | |
| 491 | T | A | -0.6269 | |
| 492 | P | A | -1.2896 | |
| 493 | D | A | -1.3726 | |
| 494 | E | A | -2.0395 | |
| 495 | T | A | -0.6806 | |
| 496 | Y | A | -0.1058 | |
| 497 | V | A | 1.0574 | |
| 498 | P | A | -0.2159 | |
| 499 | K | A | -0.5939 | |
| 500 | A | A | -0.1805 | |
| 501 | F | A | -0.3754 | |
| 502 | D | A | -1.4604 | |
| 503 | E | A | -2.4754 | |
| 504 | K | A | -2.3905 | |
| 505 | L | A | -0.9925 | |
| 506 | F | A | -0.6859 | |
| 507 | T | A | -0.9985 | |
| 508 | F | A | -1.0717 | |
| 509 | H | A | -1.8229 | |
| 510 | A | A | -2.0331 | |
| 511 | D | A | -2.2468 | |
| 512 | I | A | 0.0000 | |
| 513 | C | A | -0.9847 | |
| 514 | T | A | -1.3038 | |
| 515 | L | A | -0.9845 | |
| 516 | P | A | -1.4330 | |
| 517 | D | A | -1.7377 | |
| 518 | T | A | -1.2949 | |
| 519 | E | A | -1.9354 | |
| 520 | K | A | -1.6963 | |
| 521 | Q | A | -1.1228 | |
| 522 | I | A | -1.1440 | |
| 523 | K | A | -1.3177 | |
| 524 | K | A | -0.6945 | |
| 525 | Q | A | 0.0000 | |
| 526 | T | A | -0.4877 | |
| 527 | A | A | -0.1381 | |
| 528 | L | A | 0.0000 | |
| 529 | V | A | 0.0000 | |
| 530 | E | A | 0.0000 | |
| 531 | L | A | 0.0000 | |
| 532 | L | A | 0.0000 | |
| 533 | K | A | 0.0000 | |
| 534 | H | A | -0.5436 | |
| 535 | K | A | -1.0848 | |
| 536 | P | A | -1.3074 | |
| 537 | K | A | -2.3507 | |
| 538 | A | A | 0.0000 | |
| 539 | T | A | -2.3636 | |
| 540 | E | A | -3.4785 | |
| 541 | E | A | -3.4848 | |
| 542 | Q | A | -2.3499 | |
| 543 | L | A | 0.0000 | |
| 544 | K | A | -3.4472 | |
| 545 | T | A | -2.3838 | |
| 546 | V | A | 0.0000 | |
| 547 | M | A | -0.9547 | |
| 548 | E | A | -1.8018 | |
| 549 | N | A | -1.1648 | |
| 550 | F | A | -0.2258 | |
| 551 | V | A | 0.6026 | |
| 552 | A | A | -0.4284 | |
| 553 | F | A | 0.0000 | |
| 554 | V | A | -0.3190 | |
| 555 | D | A | -1.3684 | |
| 556 | K | A | -1.3994 | |
| 557 | C | A | 0.0000 | |
| 558 | C | A | -1.5541 | |
| 559 | A | A | -1.1831 | |
| 560 | A | A | -1.9505 | |
| 561 | D | A | -2.6552 | |
| 562 | D | A | -2.8767 | |
| 563 | K | A | -2.4620 | |
| 564 | E | A | -2.5944 | |
| 565 | A | A | -1.2377 | |
| 566 | C | A | -1.0219 | |
| 567 | F | A | 0.0000 | |
| 568 | A | A | -0.0860 | |
| 569 | V | A | 0.9019 | |
| 570 | E | A | -0.2868 | |
| 571 | G | A | -0.0082 | |
| 572 | P | A | -0.3214 | |
| 573 | K | A | -0.8596 | |
| 574 | L | A | -0.0612 | |
| 575 | V | A | 0.3568 | |
| 576 | V | A | 1.2080 | |
| 577 | S | A | 0.2403 | |
| 578 | T | A | 0.1379 | |
| 579 | Q | A | 0.3964 | |
| 580 | T | A | 0.3040 | |
| 581 | A | A | 0.0951 | |
| 582 | L | A | 0.0000 | |
| 583 | A | A | -0.1429 | |
| 1 | D | B | -2.1912 | |
| 2 | T | B | -1.6968 | |
| 3 | H | B | -2.5196 | |
| 4 | K | B | -3.2770 | |
| 5 | S | B | 0.0000 | |
| 6 | E | B | -1.9318 | |
| 7 | I | B | 0.0000 | |
| 8 | A | B | 0.0000 | |
| 9 | H | B | -2.1169 | |
| 10 | R | B | -1.8278 | |
| 11 | F | B | 0.0000 | |
| 12 | K | B | -2.9596 | |
| 13 | D | B | -3.2846 | |
| 14 | L | B | 0.0000 | |
| 15 | G | B | -2.5079 | |
| 16 | E | B | -2.9857 | |
| 17 | E | B | -2.9311 | |
| 18 | H | B | -1.9341 | |
| 19 | F | B | 0.0000 | |
| 20 | K | B | -1.6893 | |
| 21 | G | B | 0.0000 | |
| 22 | L | B | 0.0000 | |
| 23 | V | B | 0.0000 | |
| 24 | L | B | 0.0000 | |
| 25 | I | B | 0.0000 | |
| 26 | A | B | 0.0000 | |
| 27 | F | B | 0.0000 | |
| 28 | S | B | 0.0000 | |
| 29 | Q | B | 0.0000 | |
| 30 | Y | B | 0.0000 | |
| 31 | L | B | 0.0000 | |
| 32 | Q | B | 0.0000 | |
| 33 | Q | B | -1.0561 | |
| 34 | C | B | 0.0000 | |
| 35 | P | B | -0.9656 | |
| 36 | F | B | -1.2672 | |
| 37 | D | B | -2.0390 | |
| 38 | E | B | -1.7575 | |
| 39 | H | B | 0.0000 | |
| 40 | V | B | -1.4922 | |
| 41 | K | B | -2.5348 | |
| 42 | L | B | 0.0000 | |
| 43 | V | B | 0.0000 | |
| 44 | N | B | -2.3892 | |
| 45 | E | B | -3.0789 | |
| 46 | L | B | 0.0000 | |
| 47 | T | B | 0.0000 | |
| 48 | E | B | -2.7085 | |
| 49 | F | B | -1.3965 | |
| 50 | A | B | 0.0000 | |
| 51 | K | B | -2.1124 | |
| 52 | T | B | -1.3320 | |
| 53 | C | B | 0.0000 | |
| 54 | V | B | -1.1769 | |
| 55 | A | B | -0.9777 | |
| 56 | D | B | -2.1840 | |
| 57 | E | B | -3.1139 | |
| 58 | S | B | -2.1191 | |
| 59 | H | B | -1.7164 | |
| 60 | A | B | -1.0938 | |
| 61 | G | B | -1.1196 | |
| 62 | C | B | 0.0000 | |
| 63 | E | B | -3.1971 | |
| 64 | K | B | -1.9699 | |
| 65 | S | B | -1.1818 | |
| 66 | L | B | 0.0000 | |
| 67 | H | B | -0.9727 | |
| 68 | T | B | -0.9226 | |
| 69 | L | B | 0.0000 | |
| 70 | F | B | 0.0000 | |
| 71 | G | B | 0.0000 | |
| 72 | D | B | -1.1584 | |
| 73 | E | B | -1.4907 | |
| 74 | L | B | 0.0000 | |
| 75 | C | B | -1.5455 | |
| 76 | K | B | -1.8656 | |
| 77 | V | B | 0.0000 | |
| 78 | A | B | -1.0699 | |
| 79 | S | B | -1.4587 | |
| 80 | L | B | 0.0000 | |
| 81 | R | B | -3.4320 | |
| 82 | E | B | -2.9652 | |
| 83 | T | B | -1.9289 | |
| 84 | Y | B | -1.8430 | |
| 85 | G | B | -2.3545 | |
| 86 | D | B | -3.0725 | |
| 87 | M | B | 0.0000 | |
| 88 | A | B | -2.8380 | |
| 89 | D | B | -3.3828 | |
| 90 | C | B | 0.0000 | |
| 91 | C | B | -2.4427 | |
| 92 | E | B | -3.0063 | |
| 93 | K | B | -3.2027 | |
| 94 | Q | B | -2.7096 | |
| 95 | E | B | -2.2425 | |
| 96 | P | B | -2.0945 | |
| 97 | E | B | -2.7323 | |
| 98 | R | B | 0.0000 | |
| 99 | N | B | -1.9528 | |
| 100 | E | B | -2.5567 | |
| 101 | C | B | -1.8897 | |
| 102 | F | B | 0.0000 | |
| 103 | L | B | -1.0140 | |
| 104 | S | B | -0.8625 | |
| 105 | H | B | -1.1113 | |
| 106 | K | B | 0.0000 | |
| 107 | D | B | -1.3524 | |
| 108 | D | B | 0.0000 | |
| 109 | S | B | -1.0315 | |
| 110 | P | B | -1.3487 | |
| 111 | D | B | -2.1027 | |
| 112 | L | B | -1.2554 | |
| 113 | P | B | -1.4762 | |
| 114 | K | B | -2.3310 | |
| 115 | L | B | -1.3453 | |
| 116 | K | B | -2.2331 | |
| 117 | P | B | -1.4922 | |
| 118 | D | B | -1.6617 | |
| 119 | P | B | -1.7851 | |
| 120 | N | B | -2.4266 | |
| 121 | T | B | -1.7902 | |
| 122 | L | B | -1.6223 | |
| 123 | C | B | 0.0000 | |
| 124 | D | B | -3.2176 | |
| 125 | E | B | -3.4356 | |
| 126 | F | B | 0.0000 | |
| 127 | K | B | -3.4170 | |
| 128 | A | B | -2.9055 | |
| 129 | D | B | -3.8946 | |
| 130 | E | B | -4.2819 | |
| 131 | K | B | -3.9208 | |
| 132 | K | B | -3.1075 | |
| 133 | F | B | 0.0000 | |
| 134 | W | B | -2.0667 | |
| 135 | G | B | 0.0000 | |
| 136 | K | B | -1.2574 | |
| 137 | Y | B | -0.6928 | |
| 138 | L | B | 0.0000 | |
| 139 | Y | B | 0.0000 | |
| 140 | E | B | -0.3195 | |
| 141 | I | B | 0.0000 | |
| 142 | A | B | 0.0000 | |
| 143 | R | B | 0.0000 | |
| 144 | R | B | -0.9169 | |
| 145 | H | B | -0.3561 | |
| 146 | P | B | 0.0000 | |
| 147 | Y | B | -0.1086 | |
| 148 | F | B | 0.0000 | |
| 149 | Y | B | -0.0116 | |
| 150 | A | B | 0.0000 | |
| 151 | P | B | -0.1530 | |
| 152 | E | B | -0.2783 | |
| 153 | L | B | 0.0000 | |
| 154 | L | B | 0.0000 | |
| 155 | Y | B | 0.0000 | |
| 156 | Y | B | 0.0000 | |
| 157 | A | B | 0.0000 | |
| 158 | N | B | -1.7016 | |
| 159 | K | B | -2.0138 | |
| 160 | Y | B | -1.2321 | |
| 161 | N | B | -1.9772 | |
| 162 | G | B | -1.9325 | |
| 163 | V | B | 0.0000 | |
| 164 | F | B | 0.0000 | |
| 165 | Q | B | -2.9750 | |
| 166 | E | B | -2.7115 | |
| 167 | C | B | 0.0000 | |
| 168 | C | B | 0.0000 | |
| 169 | Q | B | -2.5552 | |
| 170 | A | B | -2.3649 | |
| 171 | E | B | -3.0923 | |
| 172 | D | B | -3.1951 | |
| 173 | K | B | -2.4820 | |
| 174 | G | B | -1.5311 | |
| 175 | A | B | -0.8991 | |
| 176 | C | B | -1.1546 | |
| 177 | L | B | 0.0000 | |
| 178 | L | B | -0.6980 | |
| 179 | P | B | -1.0784 | |
| 180 | K | B | -1.6521 | |
| 181 | I | B | 0.0000 | |
| 182 | E | B | -2.7739 | |
| 183 | T | B | -2.0910 | |
| 184 | M | B | 0.0000 | |
| 185 | R | B | -2.2174 | |
| 186 | E | B | -2.0004 | |
| 187 | K | B | -2.2446 | |
| 188 | V | B | 0.0000 | |
| 189 | L | B | -0.1184 | |
| 190 | T | B | -0.5693 | |
| 191 | S | B | -0.5850 | |
| 192 | S | B | -0.1941 | |
| 193 | A | B | -0.2215 | |
| 194 | R | B | -0.3617 | |
| 195 | Q | B | 0.0000 | |
| 196 | R | B | -0.2963 | |
| 197 | L | B | -0.2392 | |
| 198 | R | B | -0.5878 | |
| 199 | C | B | 0.0000 | |
| 200 | A | B | 0.0000 | |
| 201 | S | B | 0.0000 | |
| 202 | I | B | 0.0000 | |
| 203 | Q | B | -1.7719 | |
| 204 | K | B | -1.1956 | |
| 205 | F | B | -0.9123 | |
| 206 | G | B | -1.6182 | |
| 207 | E | B | -2.6320 | |
| 208 | R | B | -2.7254 | |
| 209 | A | B | -1.4327 | |
| 210 | L | B | 0.0000 | |
| 211 | K | B | -2.0287 | |
| 212 | A | B | -1.2171 | |
| 213 | W | B | -0.5298 | |
| 214 | S | B | 0.0000 | |
| 215 | V | B | 0.0000 | |
| 216 | A | B | 0.0000 | |
| 217 | R | B | -0.5748 | |
| 218 | L | B | 0.0000 | |
| 219 | S | B | 0.0000 | |
| 220 | Q | B | 0.0000 | |
| 221 | K | B | 0.0000 | |
| 222 | F | B | 0.0000 | |
| 223 | P | B | 0.0000 | |
| 224 | K | B | -2.0324 | |
| 225 | A | B | 0.0000 | |
| 226 | E | B | -1.6191 | |
| 227 | F | B | -0.1001 | |
| 228 | V | B | 1.0565 | |
| 229 | E | B | -0.2228 | |
| 230 | V | B | 0.0000 | |
| 231 | T | B | -0.1510 | |
| 232 | K | B | -0.5424 | |
| 233 | L | B | 0.0000 | |
| 234 | V | B | 0.0000 | |
| 235 | T | B | -0.9546 | |
| 236 | D | B | -1.5475 | |
| 237 | L | B | 0.0000 | |
| 238 | T | B | 0.0000 | |
| 239 | K | B | -1.8989 | |
| 240 | V | B | 0.0000 | |
| 241 | H | B | 0.0000 | |
| 242 | K | B | -1.7204 | |
| 243 | E | B | -1.4334 | |
| 244 | C | B | 0.0000 | |
| 245 | C | B | -0.8775 | |
| 246 | H | B | -1.4332 | |
| 247 | G | B | -0.8859 | |
| 248 | D | B | -0.8694 | |
| 249 | L | B | 0.0000 | |
| 250 | L | B | 0.0000 | |
| 251 | E | B | -1.2006 | |
| 252 | C | B | 0.0000 | |
| 253 | A | B | 0.0000 | |
| 254 | D | B | -1.6852 | |
| 255 | D | B | -2.4757 | |
| 256 | R | B | -1.7415 | |
| 257 | A | B | 0.0000 | |
| 258 | D | B | -2.9841 | |
| 259 | L | B | 0.0000 | |
| 260 | A | B | 0.0000 | |
| 261 | K | B | -2.6887 | |
| 262 | Y | B | -1.7458 | |
| 263 | I | B | 0.0000 | |
| 264 | C | B | -2.1804 | |
| 265 | D | B | -2.5995 | |
| 266 | N | B | -2.0879 | |
| 267 | Q | B | -2.1626 | |
| 268 | D | B | -2.5077 | |
| 269 | T | B | -1.9864 | |
| 270 | I | B | 0.0000 | |
| 271 | S | B | 0.0000 | |
| 272 | S | B | -1.8160 | |
| 273 | K | B | -2.0697 | |
| 274 | L | B | 0.0000 | |
| 275 | K | B | -3.2100 | |
| 276 | E | B | -3.3794 | |
| 277 | C | B | 0.0000 | |
| 278 | C | B | -2.7552 | |
| 279 | D | B | -3.0346 | |
| 280 | K | B | -2.1929 | |
| 281 | P | B | -0.8085 | |
| 282 | L | B | -0.1924 | |
| 283 | L | B | -0.3487 | |
| 284 | E | B | -1.3620 | |
| 285 | K | B | -1.4689 | |
| 286 | S | B | -0.8393 | |
| 287 | H | B | -0.8531 | |
| 288 | C | B | -1.3917 | |
| 289 | I | B | 0.0000 | |
| 290 | A | B | -1.2318 | |
| 291 | E | B | -2.2451 | |
| 292 | V | B | -2.1230 | |
| 293 | E | B | -2.6991 | |
| 294 | K | B | -2.0299 | |
| 295 | D | B | 0.0000 | |
| 296 | A | B | -0.4785 | |
| 297 | I | B | -0.0464 | |
| 298 | P | B | -1.0841 | |
| 299 | E | B | -2.2410 | |
| 300 | N | B | -1.9161 | |
| 301 | L | B | -0.8024 | |
| 302 | P | B | -0.7831 | |
| 303 | P | B | -0.7026 | |
| 304 | L | B | -0.4487 | |
| 305 | T | B | -0.9648 | |
| 306 | A | B | -1.5414 | |
| 307 | D | B | -2.3865 | |
| 308 | F | B | 0.0000 | |
| 309 | A | B | 0.0000 | |
| 310 | E | B | -3.1316 | |
| 311 | D | B | -3.4711 | |
| 312 | K | B | -3.9784 | |
| 313 | D | B | -4.3484 | |
| 314 | V | B | 0.0000 | |
| 315 | C | B | -3.0410 | |
| 316 | K | B | -4.1734 | |
| 317 | N | B | -4.1496 | |
| 318 | Y | B | 0.0000 | |
| 319 | Q | B | -3.8455 | |
| 320 | E | B | -3.7240 | |
| 321 | A | B | -2.7243 | |
| 322 | K | B | -3.2014 | |
| 323 | D | B | -2.6636 | |
| 324 | A | B | -1.3659 | |
| 325 | F | B | 0.0000 | |
| 326 | L | B | 0.0000 | |
| 327 | G | B | -0.8953 | |
| 328 | S | B | -0.1813 | |
| 329 | F | B | 0.0000 | |
| 330 | L | B | 0.0000 | |
| 331 | Y | B | 0.0000 | |
| 332 | E | B | -0.6520 | |
| 333 | Y | B | 0.0000 | |
| 334 | S | B | 0.0000 | |
| 335 | R | B | -0.5368 | |
| 336 | R | B | -0.5370 | |
| 337 | H | B | -0.9013 | |
| 338 | P | B | -1.1569 | |
| 339 | E | B | -2.0709 | |
| 340 | Y | B | -0.9058 | |
| 341 | A | B | -0.4933 | |
| 342 | V | B | -0.0424 | |
| 343 | S | B | 0.1365 | |
| 344 | V | B | 0.0000 | |
| 345 | L | B | 0.0000 | |
| 346 | L | B | -0.0752 | |
| 347 | R | B | 0.0000 | |
| 348 | L | B | 0.0000 | |
| 349 | A | B | -0.9315 | |
| 350 | K | B | -1.7177 | |
| 351 | E | B | -2.2673 | |
| 352 | Y | B | 0.0000 | |
| 353 | E | B | -2.4578 | |
| 354 | A | B | -2.0075 | |
| 355 | T | B | -1.9202 | |
| 356 | L | B | 0.0000 | |
| 357 | E | B | -2.9187 | |
| 358 | E | B | -2.9983 | |
| 359 | C | B | 0.0000 | |
| 360 | C | B | -2.0216 | |
| 361 | A | B | -1.9217 | |
| 362 | K | B | -3.1369 | |
| 363 | D | B | -3.1512 | |
| 364 | D | B | -3.1829 | |
| 365 | P | B | -2.4100 | |
| 366 | H | B | -2.0887 | |
| 367 | A | B | -0.8868 | |
| 368 | C | B | -0.8006 | |
| 369 | Y | B | 0.0000 | |
| 370 | S | B | -1.0876 | |
| 371 | T | B | -1.0349 | |
| 372 | V | B | 0.0000 | |
| 373 | F | B | -1.6718 | |
| 374 | D | B | -3.1890 | |
| 375 | K | B | -3.3825 | |
| 376 | L | B | 0.0000 | |
| 377 | K | B | -3.5928 | |
| 378 | H | B | -3.3827 | |
| 379 | L | B | -2.3363 | |
| 380 | V | B | -1.8482 | |
| 381 | D | B | -3.1071 | |
| 382 | E | B | -2.6277 | |
| 383 | P | B | 0.0000 | |
| 384 | Q | B | -2.3035 | |
| 385 | N | B | -2.6909 | |
| 386 | L | B | -1.8032 | |
| 387 | I | B | 0.0000 | |
| 388 | K | B | -3.4344 | |
| 389 | Q | B | -3.0260 | |
| 390 | N | B | -2.5922 | |
| 391 | C | B | -2.5537 | |
| 392 | D | B | -3.8060 | |
| 393 | Q | B | -2.9657 | |
| 394 | F | B | 0.0000 | |
| 395 | E | B | -3.3772 | |
| 396 | K | B | -3.1775 | |
| 397 | L | B | -1.5518 | |
| 398 | G | B | -1.6168 | |
| 399 | E | B | -1.2730 | |
| 400 | Y | B | -0.3884 | |
| 401 | G | B | -0.6007 | |
| 402 | F | B | 0.0000 | |
| 403 | Q | B | 0.0000 | |
| 404 | N | B | -0.3625 | |
| 405 | A | B | -0.5036 | |
| 406 | L | B | 0.0000 | |
| 407 | I | B | 0.0000 | |
| 408 | V | B | -0.6397 | |
| 409 | R | B | -1.0295 | |
| 410 | Y | B | 0.0000 | |
| 411 | T | B | 0.0000 | |
| 412 | R | B | -1.2062 | |
| 413 | K | B | 0.0000 | |
| 414 | V | B | 0.0000 | |
| 415 | P | B | 0.0000 | |
| 416 | Q | B | -0.2284 | |
| 417 | V | B | 0.0000 | |
| 418 | S | B | -0.1180 | |
| 419 | T | B | 0.0000 | |
| 420 | P | B | -0.5412 | |
| 421 | T | B | -0.5382 | |
| 422 | L | B | 0.0000 | |
| 423 | V | B | 0.0000 | |
| 424 | E | B | -0.9991 | |
| 425 | V | B | 0.0000 | |
| 426 | S | B | 0.0000 | |
| 427 | R | B | -0.7353 | |
| 428 | S | B | -0.6545 | |
| 429 | L | B | -0.3165 | |
| 430 | G | B | 0.0000 | |
| 431 | K | B | -1.1897 | |
| 432 | V | B | 0.0000 | |
| 433 | G | B | 0.0000 | |
| 434 | T | B | -1.0009 | |
| 435 | R | B | -0.7514 | |
| 436 | C | B | 0.0000 | |
| 437 | C | B | 0.0000 | |
| 438 | T | B | -1.0885 | |
| 439 | K | B | -1.7428 | |
| 440 | P | B | -1.8813 | |
| 441 | E | B | -2.7779 | |
| 442 | S | B | -2.0740 | |
| 443 | E | B | -2.2192 | |
| 444 | R | B | -1.8599 | |
| 445 | M | B | 0.0000 | |
| 446 | P | B | -0.7018 | |
| 447 | C | B | -0.6827 | |
| 448 | T | B | 0.0000 | |
| 449 | E | B | 0.0000 | |
| 450 | D | B | -0.2963 | |
| 451 | Y | B | -0.1556 | |
| 452 | L | B | 0.0689 | |
| 453 | S | B | -0.0564 | |
| 454 | L | B | 0.0000 | |
| 455 | I | B | 0.0000 | |
| 456 | L | B | 0.0000 | |
| 457 | N | B | 0.0000 | |
| 458 | R | B | -0.5359 | |
| 459 | L | B | 0.0000 | |
| 460 | C | B | 0.0000 | |
| 461 | V | B | 0.0000 | |
| 462 | L | B | -1.1131 | |
| 463 | H | B | 0.0000 | |
| 464 | E | B | -2.3167 | |
| 465 | K | B | -2.2458 | |
| 466 | T | B | -0.9770 | |
| 467 | P | B | -0.8177 | |
| 468 | V | B | 0.5916 | |
| 469 | S | B | 0.0000 | |
| 470 | E | B | -2.0436 | |
| 471 | K | B | -1.4914 | |
| 472 | V | B | 0.0000 | |
| 473 | T | B | -1.8696 | |
| 474 | K | B | -2.3157 | |
| 475 | C | B | 0.0000 | |
| 476 | C | B | 0.0000 | |
| 477 | T | B | -1.4863 | |
| 478 | E | B | -2.0443 | |
| 479 | S | B | -1.0310 | |
| 480 | L | B | -0.1144 | |
| 481 | V | B | -0.0826 | |
| 482 | N | B | -0.4526 | |
| 483 | R | B | 0.0000 | |
| 484 | R | B | 0.0000 | |
| 485 | P | B | -0.2119 | |
| 486 | C | B | -0.3494 | |
| 487 | F | B | 0.0000 | |
| 488 | S | B | -0.0446 | |
| 489 | A | B | 0.0816 | |
| 490 | L | B | -0.0707 | |
| 491 | T | B | -0.6897 | |
| 492 | P | B | -1.4382 | |
| 493 | D | B | -1.6446 | |
| 494 | E | B | -2.2753 | |
| 495 | T | B | -0.7224 | |
| 496 | Y | B | 0.0376 | |
| 497 | V | B | 1.1336 | |
| 498 | P | B | 0.1341 | |
| 499 | K | B | -0.4829 | |
| 500 | A | B | -0.1684 | |
| 501 | F | B | -0.3685 | |
| 502 | D | B | -1.4601 | |
| 503 | E | B | -2.3993 | |
| 504 | K | B | -2.2707 | |
| 505 | L | B | -0.7680 | |
| 506 | F | B | -0.6590 | |
| 507 | T | B | -0.8944 | |
| 508 | F | B | -0.9860 | |
| 509 | H | B | -1.7232 | |
| 510 | A | B | -2.0114 | |
| 511 | D | B | -2.1393 | |
| 512 | I | B | 0.0000 | |
| 513 | C | B | 0.0000 | |
| 514 | T | B | -1.2010 | |
| 515 | L | B | -0.9189 | |
| 516 | P | B | -1.4124 | |
| 517 | D | B | -1.9748 | |
| 518 | T | B | -1.2802 | |
| 519 | E | B | -1.7442 | |
| 520 | K | B | -1.6159 | |
| 521 | Q | B | -1.0427 | |
| 522 | I | B | -0.8471 | |
| 523 | K | B | -1.0410 | |
| 524 | K | B | -0.6657 | |
| 525 | Q | B | 0.0000 | |
| 526 | T | B | -0.4275 | |
| 527 | A | B | 0.0000 | |
| 528 | L | B | 0.0000 | |
| 529 | V | B | 0.0000 | |
| 530 | E | B | -0.2785 | |
| 531 | L | B | 0.0000 | |
| 532 | L | B | 0.0000 | |
| 533 | K | B | 0.0000 | |
| 534 | H | B | -0.5532 | |
| 535 | K | B | -0.9070 | |
| 536 | P | B | -1.3248 | |
| 537 | K | B | -2.3354 | |
| 538 | A | B | 0.0000 | |
| 539 | T | B | -2.3089 | |
| 540 | E | B | -3.4919 | |
| 541 | E | B | -3.4771 | |
| 542 | Q | B | -2.3696 | |
| 543 | L | B | 0.0000 | |
| 544 | K | B | -3.5674 | |
| 545 | T | B | -2.6092 | |
| 546 | V | B | 0.0000 | |
| 547 | M | B | -1.5571 | |
| 548 | E | B | -2.2281 | |
| 549 | N | B | -1.7254 | |
| 550 | F | B | 0.0000 | |
| 551 | V | B | 0.1908 | |
| 552 | A | B | -0.5725 | |
| 553 | F | B | 0.0000 | |
| 554 | V | B | -0.2570 | |
| 555 | D | B | -0.8933 | |
| 556 | K | B | -1.3097 | |
| 557 | C | B | 0.0000 | |
| 558 | C | B | -1.5728 | |
| 559 | A | B | -1.2761 | |
| 560 | A | B | -2.2027 | |
| 561 | D | B | -2.7879 | |
| 562 | D | B | -3.2197 | |
| 563 | K | B | -2.6485 | |
| 564 | E | B | -2.7575 | |
| 565 | A | B | -1.3973 | |
| 566 | C | B | -1.1331 | |
| 567 | F | B | 0.0000 | |
| 568 | A | B | -0.0528 | |
| 569 | V | B | 0.9123 | |
| 570 | E | B | -0.1371 | |
| 571 | G | B | -0.0978 | |
| 572 | P | B | -0.3767 | |
| 573 | K | B | -0.9965 | |
| 574 | L | B | 0.0000 | |
| 575 | V | B | 0.0666 | |
| 576 | V | B | 0.9254 | |
| 577 | S | B | -0.0326 | |
| 578 | T | B | 0.0000 | |
| 579 | Q | B | 0.0060 | |
| 580 | T | B | 0.1856 | |
| 581 | A | B | 0.0463 | |
| 582 | L | B | 0.0000 | |
| 583 | A | B | -0.3084 |
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 | -0.8509 | 2.761 | View | CSV | PDB |
| 4.5 | -0.9665 | 2.7119 | View | CSV | PDB |
| 5.0 | -1.1092 | 2.6544 | View | CSV | PDB |
| 5.5 | -1.2515 | 2.5937 | View | CSV | PDB |
| 6.0 | -1.3655 | 2.5325 | View | CSV | PDB |
| 6.5 | -1.4316 | 2.4725 | View | CSV | PDB |
| 7.0 | -1.4492 | 2.4147 | View | CSV | PDB |
| 7.5 | -1.4337 | 2.3592 | View | CSV | PDB |
| 8.0 | -1.3997 | 2.3066 | View | CSV | PDB |
| 8.5 | -1.3525 | 2.26 | View | CSV | PDB |
| 9.0 | -1.2902 | 2.2252 | 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