| Chain sequence(s) |
A: GPQQQQMLALIDDELDAMDEDELQQLSRLIEKKKRARLQRGAASSGTSPSSTSPVYDLQRYTAESLRLAPYPADLKVPTAFPQDHQPRGRILLSHDELMHTDYLLHIRQQFDWLEEPLLRKLVVERIFAVRNAPNLHTLLAIIDETLSYMKYHHLHGLPVNPHDPYLETVGGMRQLLFNKLNNLDLGCILDHQDGWGDHCSTLKRLVKKPGQMSAWLRDDVCDLQKRPPETFSQPMHRAMAYVCSFSRVAVSLRRRALQVTGTPQFFDQFDTNNAMGTYRCGAVSDLILGKLQCHECQNEMCELRIQRALAPYRFMIAYCPFDEQSLLDLTVFAGTTTTA
C: GPQQQQMLALIDDELDAMDEDELQQLSRLIEKKKRARLQRGAASSGTSPSSTSPVYDLQRYTAESLRLAPYPADLKVPTAFPQDHQPRGRILLSHDELMHTDYLLHIRQQFDWLEEPLLRKLVVERIFAVRNAPNLHTLLAIIDETLSYMKYHHLHGLPVNPHDPYLETVGGMRQLLFNKLNNLDLGCILDHQDGWGDHCSTLKRLVKKPGQMSAWLRDDVCDLQKRPPETFSQPMHRAMAYVCSFSRVAVSLRRRALQVTGTPQFFDQFDTNNAMGTYRCGAVSDLILGKLQCHECQNEMCELRIQRALAPYRFMIAYCPFDEQSLLDLTVFAGTTTTA B: GPQQQQMLALIDDELDAMDEDELQQLSRLIEKKKRARLQRGAASSGTSPSSTSPVYDLQRYTAESLRLAPYPADLKVPTAFPQDHQPRGRILLSHDELMHTDYLLHIRQQFDWLEEPLLRKLVVERIFAVRNAPNLHTLLAIIDETLSYMKYHHLHGLPVNPHDPYLETVGGMRQLLFNKLNNLDLGCILDHQDGWGDHCSTLKRLVKKPGQMSAWLRDDVCDLQKRPPETFSQPMHRAMAYVCSFSRVAVSLRRRALQVTGTPQFFDQFDTNNAMGTYRCGAVSDLILGKLQCHECQNEMCELRIQRALAPYRFMIAYCPFDEQSLLDLTVFAGTTTTA D: GPQQQQMLALIDDELDAMDEDELQQLSRLIEKKKRARLQRGAASSGTSPSSTSPVYDLQRYTAESLRLAPYPADLKVPTAFPQDHQPRGRILLSHDELMHTDYLLHIRQQFDWLEEPLLRKLVVERIFAVRNAPNLHTLLAIIDETLSYMKYHHLHGLPVNPHDPYLETVGGMRQLLFNKLNNLDLGCILDHQDGWGDHCSTLKRLVKKPGQMSAWLRDDVCDLQKRPPETFSQPMHRAMAYVCSFSRVAVSLRRRALQVTGTPQFFDQFDTNNAMGTYRCGAVSDLILGKLQCHECQNEMCELRIQRALAPYRFMIAYCPFDEQSLLDLTVFAGTTTTA input PDB |
| Selected Chain(s) | A,B,C,D |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:12)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:12)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:12)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:12)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:20)
[INFO] FoldX: Starting FoldX energy minimization (00:00:20)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:47:24)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/a1fe50b5ed389a8/tmp/folded.pdb (00:47:24)
[INFO] Main: Simulation completed successfully. (01:09:58)
|
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 | G | A | -1.4852 | |
| 2 | P | A | -1.5884 | |
| 3 | Q | A | -2.2231 | |
| 4 | Q | A | -1.6301 | |
| 5 | Q | A | -1.7629 | |
| 6 | Q | A | -1.6974 | |
| 7 | M | A | 0.0000 | |
| 8 | L | A | -0.2469 | |
| 9 | A | A | -0.9614 | |
| 10 | L | A | -1.1351 | |
| 11 | I | A | -1.4628 | |
| 12 | D | A | -2.4078 | |
| 13 | D | A | -2.3253 | |
| 14 | E | A | -3.0724 | |
| 15 | L | A | 0.0000 | |
| 16 | D | A | -2.0395 | |
| 17 | A | A | -1.4858 | |
| 18 | M | A | 0.0000 | |
| 19 | D | A | -2.7550 | |
| 20 | E | A | -2.4908 | |
| 21 | D | A | -3.1527 | |
| 22 | E | A | -2.7252 | |
| 23 | L | A | 0.0000 | |
| 24 | Q | A | -1.9175 | |
| 25 | Q | A | -2.0919 | |
| 26 | L | A | 0.0000 | |
| 27 | S | A | 0.0000 | |
| 28 | R | A | -1.4234 | |
| 29 | L | A | 0.0000 | |
| 30 | I | A | 0.0000 | |
| 31 | E | A | 0.0000 | |
| 32 | K | A | -2.6018 | |
| 33 | K | A | -2.0935 | |
| 34 | K | A | 0.0000 | |
| 35 | R | A | -2.4987 | |
| 36 | A | A | -2.2561 | |
| 37 | R | A | -2.4049 | |
| 38 | L | A | -1.3106 | |
| 39 | Q | A | -2.3408 | |
| 40 | R | A | -2.8065 | |
| 41 | G | A | -1.7958 | |
| 42 | A | A | -0.9958 | |
| 43 | A | A | -0.8945 | |
| 44 | S | A | -1.0460 | |
| 45 | S | A | -0.8247 | |
| 46 | G | A | -0.7745 | |
| 47 | T | A | -0.6289 | |
| 48 | S | A | -0.5944 | |
| 49 | P | A | -1.0047 | |
| 50 | S | A | -0.5623 | |
| 51 | S | A | -0.3671 | |
| 52 | T | A | -0.2161 | |
| 53 | S | A | -0.2550 | |
| 54 | P | A | 0.0349 | |
| 55 | V | A | 0.7772 | |
| 56 | Y | A | 0.3041 | |
| 57 | D | A | -0.7326 | |
| 58 | L | A | 0.0000 | |
| 59 | Q | A | -1.7145 | |
| 60 | R | A | -2.2149 | |
| 61 | Y | A | -1.5429 | |
| 62 | T | A | -1.3722 | |
| 63 | A | A | -1.6865 | |
| 64 | E | A | -2.5303 | |
| 65 | S | A | -1.8595 | |
| 66 | L | A | -1.6521 | |
| 67 | R | A | -2.6089 | |
| 68 | L | A | 0.0000 | |
| 69 | A | A | -0.9484 | |
| 70 | P | A | -0.6621 | |
| 71 | Y | A | -0.2532 | |
| 72 | P | A | -0.5867 | |
| 73 | A | A | -0.7964 | |
| 74 | D | A | -2.0652 | |
| 75 | L | A | 0.0000 | |
| 76 | K | A | 0.0000 | |
| 77 | V | A | 0.0776 | |
| 78 | P | A | 0.0000 | |
| 79 | T | A | 0.0000 | |
| 80 | A | A | 0.0000 | |
| 81 | F | A | 0.0000 | |
| 82 | P | A | 0.0000 | |
| 83 | Q | A | 0.0000 | |
| 84 | D | A | 0.0000 | |
| 85 | H | A | -1.1500 | |
| 86 | Q | A | -1.9007 | |
| 87 | P | A | -1.7238 | |
| 88 | R | A | -2.5553 | |
| 89 | G | A | -1.8069 | |
| 90 | R | A | -1.2449 | |
| 91 | I | A | -0.2607 | |
| 92 | L | A | 0.3222 | |
| 93 | L | A | 0.0000 | |
| 94 | S | A | -1.4424 | |
| 95 | H | A | 0.0000 | |
| 96 | D | A | -2.3779 | |
| 97 | E | A | -1.3350 | |
| 98 | L | A | 0.0000 | |
| 99 | M | A | 0.0000 | |
| 100 | H | A | -1.5671 | |
| 101 | T | A | 0.0000 | |
| 102 | D | A | 0.0000 | |
| 103 | Y | A | 0.0000 | |
| 104 | L | A | 0.0000 | |
| 105 | L | A | 0.0000 | |
| 106 | H | A | -0.2795 | |
| 107 | I | A | 0.0000 | |
| 108 | R | A | 0.0000 | |
| 109 | Q | A | -0.5478 | |
| 110 | Q | A | 0.0000 | |
| 111 | F | A | 0.0000 | |
| 112 | D | A | -1.2718 | |
| 113 | W | A | -0.8331 | |
| 114 | L | A | 0.0000 | |
| 115 | E | A | -2.8453 | |
| 116 | E | A | -2.9933 | |
| 117 | P | A | -2.3224 | |
| 118 | L | A | 0.0000 | |
| 119 | L | A | 0.0000 | |
| 120 | R | A | -1.3111 | |
| 121 | K | A | -1.1936 | |
| 122 | L | A | 0.0000 | |
| 123 | V | A | 0.0000 | |
| 124 | V | A | 0.0000 | |
| 125 | E | A | 0.0000 | |
| 126 | R | A | 0.0000 | |
| 127 | I | A | 0.0000 | |
| 128 | F | A | 0.0000 | |
| 129 | A | A | 0.0000 | |
| 130 | V | A | 0.0000 | |
| 131 | R | A | -0.6244 | |
| 132 | N | A | 0.0000 | |
| 133 | A | A | 0.0000 | |
| 134 | P | A | 0.0000 | |
| 135 | N | A | 0.0000 | |
| 136 | L | A | 0.0000 | |
| 137 | H | A | 0.0000 | |
| 138 | T | A | 0.0000 | |
| 139 | L | A | 0.0000 | |
| 140 | L | A | 0.0000 | |
| 141 | A | A | 0.0000 | |
| 142 | I | A | 0.0000 | |
| 143 | I | A | 0.0000 | |
| 144 | D | A | 0.0000 | |
| 145 | E | A | 0.0000 | |
| 146 | T | A | 0.0000 | |
| 147 | L | A | 0.0000 | |
| 148 | S | A | 0.0000 | |
| 149 | Y | A | 0.0000 | |
| 150 | M | A | 0.0000 | |
| 151 | K | A | 0.0000 | |
| 152 | Y | A | 0.0000 | |
| 153 | H | A | 0.0000 | |
| 154 | H | A | -0.3179 | |
| 155 | L | A | 0.4427 | |
| 156 | H | A | -0.0154 | |
| 157 | G | A | -0.2062 | |
| 158 | L | A | 0.0000 | |
| 159 | P | A | 0.0000 | |
| 160 | V | A | 0.0000 | |
| 161 | N | A | 0.0000 | |
| 162 | P | A | 0.0000 | |
| 163 | H | A | -0.7846 | |
| 164 | D | A | 0.0000 | |
| 165 | P | A | 0.0000 | |
| 166 | Y | A | 0.0000 | |
| 167 | L | A | 0.0000 | |
| 168 | E | A | 0.0000 | |
| 169 | T | A | 0.0000 | |
| 170 | V | A | 0.0000 | |
| 171 | G | A | -0.4418 | |
| 172 | G | A | -0.5832 | |
| 173 | M | A | 0.0000 | |
| 174 | R | A | -1.0553 | |
| 175 | Q | A | -1.8106 | |
| 176 | L | A | -0.9266 | |
| 177 | L | A | 0.0000 | |
| 178 | F | A | 0.0000 | |
| 179 | N | A | -1.7023 | |
| 180 | K | A | -1.0012 | |
| 181 | L | A | 0.0000 | |
| 182 | N | A | -0.7279 | |
| 183 | N | A | 0.0000 | |
| 184 | L | A | 0.0000 | |
| 185 | D | A | 0.0000 | |
| 186 | L | A | 0.0000 | |
| 187 | G | A | 0.0000 | |
| 188 | C | A | -1.5299 | |
| 189 | I | A | 0.0000 | |
| 190 | L | A | 0.0000 | |
| 191 | D | A | 0.0000 | |
| 192 | H | A | -2.0171 | |
| 193 | Q | A | -2.3291 | |
| 194 | D | A | -2.5795 | |
| 195 | G | A | 0.0000 | |
| 196 | W | A | -1.2209 | |
| 197 | G | A | -1.8228 | |
| 198 | D | A | -2.4716 | |
| 199 | H | A | -1.6026 | |
| 200 | C | A | 0.0000 | |
| 201 | S | A | -1.5222 | |
| 202 | T | A | -1.2364 | |
| 203 | L | A | 0.0000 | |
| 204 | K | A | -2.0191 | |
| 205 | R | A | -1.4757 | |
| 206 | L | A | 0.0000 | |
| 207 | V | A | 0.0000 | |
| 208 | K | A | -2.0519 | |
| 209 | K | A | -2.0395 | |
| 210 | P | A | -1.2231 | |
| 211 | G | A | -1.0944 | |
| 212 | Q | A | -0.8379 | |
| 213 | M | A | -0.5528 | |
| 214 | S | A | -0.3817 | |
| 215 | A | A | -0.4022 | |
| 216 | W | A | -0.4114 | |
| 217 | L | A | -0.8552 | |
| 218 | R | A | -2.2459 | |
| 219 | D | A | -1.3595 | |
| 220 | D | A | -1.4894 | |
| 221 | V | A | -1.4209 | |
| 222 | C | A | -1.6071 | |
| 223 | D | A | -1.9511 | |
| 224 | L | A | -1.2092 | |
| 225 | Q | A | 0.0000 | |
| 226 | K | A | -2.6003 | |
| 227 | R | A | -2.3900 | |
| 228 | P | A | -1.7003 | |
| 229 | P | A | 0.0000 | |
| 230 | E | A | -1.4294 | |
| 231 | T | A | -0.8865 | |
| 232 | F | A | 0.0000 | |
| 233 | S | A | -0.5886 | |
| 234 | Q | A | -0.6042 | |
| 235 | P | A | -0.7133 | |
| 236 | M | A | 0.0000 | |
| 237 | H | A | 0.0000 | |
| 238 | R | A | -0.9410 | |
| 239 | A | A | 0.0000 | |
| 240 | M | A | 0.0000 | |
| 241 | A | A | 0.0000 | |
| 242 | Y | A | 0.0000 | |
| 243 | V | A | 0.0000 | |
| 244 | C | A | 0.0000 | |
| 245 | S | A | 0.0000 | |
| 246 | F | A | 0.0000 | |
| 247 | S | A | 0.0000 | |
| 248 | R | A | -0.7313 | |
| 249 | V | A | 0.0000 | |
| 250 | A | A | 0.0000 | |
| 251 | V | A | -0.7372 | |
| 252 | S | A | -1.0921 | |
| 253 | L | A | 0.0000 | |
| 254 | R | A | 0.0000 | |
| 255 | R | A | -1.9645 | |
| 256 | R | A | -1.5682 | |
| 257 | A | A | -0.4148 | |
| 258 | L | A | 0.1785 | |
| 259 | Q | A | -0.9990 | |
| 260 | V | A | -0.0980 | |
| 261 | T | A | 0.1245 | |
| 262 | G | A | -0.0272 | |
| 263 | T | A | -0.0119 | |
| 264 | P | A | 0.2505 | |
| 265 | Q | A | 0.0000 | |
| 266 | F | A | -0.4621 | |
| 267 | F | A | 0.0000 | |
| 268 | D | A | -2.3264 | |
| 269 | Q | A | -1.8352 | |
| 270 | F | A | -1.2103 | |
| 271 | D | A | 0.0000 | |
| 272 | T | A | -1.6065 | |
| 273 | N | A | -1.5016 | |
| 274 | N | A | -2.1069 | |
| 275 | A | A | 0.0000 | |
| 276 | M | A | 0.0000 | |
| 277 | G | A | -1.0080 | |
| 278 | T | A | -1.0178 | |
| 279 | Y | A | 0.0000 | |
| 280 | R | A | -2.1063 | |
| 281 | C | A | 0.0000 | |
| 282 | G | A | 0.0000 | |
| 283 | A | A | -1.3569 | |
| 284 | V | A | 0.0000 | |
| 285 | S | A | 0.0000 | |
| 286 | D | A | -2.1344 | |
| 287 | L | A | -0.8105 | |
| 288 | I | A | 0.0000 | |
| 289 | L | A | 0.0000 | |
| 290 | G | A | -0.7983 | |
| 291 | K | A | -0.8225 | |
| 292 | L | A | 0.0000 | |
| 293 | Q | A | -1.3673 | |
| 294 | C | A | -0.4184 | |
| 295 | H | A | 0.0000 | |
| 296 | E | A | -2.4091 | |
| 297 | C | A | -2.1100 | |
| 298 | Q | A | -2.3743 | |
| 299 | N | A | -2.3477 | |
| 300 | E | A | -3.0845 | |
| 301 | M | A | -1.8726 | |
| 302 | C | A | 0.0000 | |
| 303 | E | A | -2.9528 | |
| 304 | L | A | 0.0000 | |
| 305 | R | A | 0.0000 | |
| 306 | I | A | -0.9952 | |
| 307 | Q | A | -1.2149 | |
| 308 | R | A | -0.8095 | |
| 309 | A | A | 0.0000 | |
| 310 | L | A | -0.1871 | |
| 311 | A | A | -0.3912 | |
| 312 | P | A | -0.2913 | |
| 313 | Y | A | 0.0000 | |
| 314 | R | A | -0.5514 | |
| 315 | F | A | 0.0000 | |
| 316 | M | A | 0.0000 | |
| 317 | I | A | 0.0000 | |
| 318 | A | A | 0.0000 | |
| 319 | Y | A | 0.0000 | |
| 320 | C | A | 0.0000 | |
| 321 | P | A | 0.0000 | |
| 322 | F | A | -1.3104 | |
| 323 | D | A | -2.5325 | |
| 324 | E | A | -2.8939 | |
| 325 | Q | A | -2.2691 | |
| 326 | S | A | -1.0846 | |
| 327 | L | A | -0.5954 | |
| 328 | L | A | 0.0000 | |
| 329 | D | A | -0.6266 | |
| 330 | L | A | 0.1476 | |
| 331 | T | A | -0.1657 | |
| 332 | V | A | 0.0000 | |
| 333 | F | A | 0.0000 | |
| 334 | A | A | -0.2132 | |
| 335 | G | A | -0.1727 | |
| 336 | T | A | -0.2479 | |
| 337 | T | A | -0.4177 | |
| 338 | T | A | -0.2299 | |
| 339 | T | A | -0.1371 | |
| 340 | A | A | -0.0884 | |
| 1 | G | B | -1.5382 | |
| 2 | P | B | -1.6512 | |
| 3 | Q | B | -2.1311 | |
| 4 | Q | B | -2.1280 | |
| 5 | Q | B | -2.1474 | |
| 6 | Q | B | -2.0313 | |
| 7 | M | B | 0.0000 | |
| 8 | L | B | -1.0580 | |
| 9 | A | B | -1.4953 | |
| 10 | L | B | -1.6187 | |
| 11 | I | B | -1.8626 | |
| 12 | D | B | -2.8521 | |
| 13 | D | B | -2.9480 | |
| 14 | E | B | -3.3425 | |
| 15 | L | B | 0.0000 | |
| 16 | D | B | -2.2161 | |
| 17 | A | B | -1.6488 | |
| 18 | M | B | 0.0000 | |
| 19 | D | B | -2.9230 | |
| 20 | E | B | -2.7521 | |
| 21 | D | B | -3.2804 | |
| 22 | E | B | -2.9153 | |
| 23 | L | B | 0.0000 | |
| 24 | Q | B | -2.2785 | |
| 25 | Q | B | -2.3948 | |
| 26 | L | B | 0.0000 | |
| 27 | S | B | 0.0000 | |
| 28 | R | B | -2.5076 | |
| 29 | L | B | 0.0000 | |
| 30 | I | B | 0.0000 | |
| 31 | E | B | 0.0000 | |
| 32 | K | B | -2.6110 | |
| 33 | K | B | -2.3326 | |
| 34 | K | B | 0.0000 | |
| 35 | R | B | -2.7974 | |
| 36 | A | B | -2.5558 | |
| 37 | R | B | -3.0314 | |
| 38 | L | B | -1.4566 | |
| 39 | Q | B | -2.5380 | |
| 40 | R | B | -3.0411 | |
| 41 | G | B | -1.9168 | |
| 42 | A | B | -1.0475 | |
| 43 | A | B | -0.8805 | |
| 44 | S | B | -1.0715 | |
| 45 | S | B | -0.8386 | |
| 46 | G | B | -0.7789 | |
| 47 | T | B | -0.6300 | |
| 48 | S | B | -0.7110 | |
| 49 | P | B | -1.0878 | |
| 50 | S | B | -0.5558 | |
| 51 | S | B | -0.3845 | |
| 52 | T | B | -0.2386 | |
| 53 | S | B | -0.3661 | |
| 54 | P | B | -0.0382 | |
| 55 | V | B | 0.6013 | |
| 56 | Y | B | 0.1730 | |
| 57 | D | B | -0.9491 | |
| 58 | L | B | 0.0000 | |
| 59 | Q | B | -2.2452 | |
| 60 | R | B | -2.4712 | |
| 61 | Y | B | -1.5242 | |
| 62 | T | B | -1.6301 | |
| 63 | A | B | -1.7358 | |
| 64 | E | B | -2.5466 | |
| 65 | S | B | -1.8540 | |
| 66 | L | B | -1.6702 | |
| 67 | R | B | -2.6404 | |
| 68 | L | B | 0.0000 | |
| 69 | A | B | -0.9759 | |
| 70 | P | B | -0.6891 | |
| 71 | Y | B | -0.2696 | |
| 72 | P | B | -0.5989 | |
| 73 | A | B | -0.8122 | |
| 74 | D | B | -2.0889 | |
| 75 | L | B | 0.0000 | |
| 76 | K | B | 0.0000 | |
| 77 | V | B | -0.2410 | |
| 78 | P | B | 0.0000 | |
| 79 | T | B | 0.0000 | |
| 80 | A | B | 0.0000 | |
| 81 | F | B | 0.0000 | |
| 82 | P | B | 0.0000 | |
| 83 | Q | B | 0.0000 | |
| 84 | D | B | -1.4489 | |
| 85 | H | B | -1.5107 | |
| 86 | Q | B | -1.9990 | |
| 87 | P | B | -1.8224 | |
| 88 | R | B | -2.6231 | |
| 89 | G | B | -1.8522 | |
| 90 | R | B | -1.2868 | |
| 91 | I | B | -0.2937 | |
| 92 | L | B | 0.3285 | |
| 93 | L | B | 0.0000 | |
| 94 | S | B | -1.4162 | |
| 95 | H | B | 0.0000 | |
| 96 | D | B | -2.3584 | |
| 97 | E | B | -1.3300 | |
| 98 | L | B | 0.0000 | |
| 99 | M | B | 0.0000 | |
| 100 | H | B | -1.5705 | |
| 101 | T | B | 0.0000 | |
| 102 | D | B | -0.8282 | |
| 103 | Y | B | 0.0000 | |
| 104 | L | B | 0.0000 | |
| 105 | L | B | 0.0000 | |
| 106 | H | B | -0.4072 | |
| 107 | I | B | 0.0000 | |
| 108 | R | B | 0.0000 | |
| 109 | Q | B | -0.6108 | |
| 110 | Q | B | 0.0000 | |
| 111 | F | B | 0.0000 | |
| 112 | D | B | -1.1774 | |
| 113 | W | B | -0.7291 | |
| 114 | L | B | 0.0000 | |
| 115 | E | B | -2.8154 | |
| 116 | E | B | -2.7918 | |
| 117 | P | B | -2.3060 | |
| 118 | L | B | 0.0000 | |
| 119 | L | B | 0.0000 | |
| 120 | R | B | -2.4439 | |
| 121 | K | B | 0.0000 | |
| 122 | L | B | 0.0000 | |
| 123 | V | B | 0.0000 | |
| 124 | V | B | 0.0000 | |
| 125 | E | B | 0.0000 | |
| 126 | R | B | 0.0000 | |
| 127 | I | B | 0.0000 | |
| 128 | F | B | 0.0000 | |
| 129 | A | B | 0.0000 | |
| 130 | V | B | 0.0000 | |
| 131 | R | B | -0.7211 | |
| 132 | N | B | 0.0000 | |
| 133 | A | B | 0.0000 | |
| 134 | P | B | 0.0000 | |
| 135 | N | B | 0.0000 | |
| 136 | L | B | 0.0000 | |
| 137 | H | B | 0.0000 | |
| 138 | T | B | 0.0000 | |
| 139 | L | B | 0.0000 | |
| 140 | L | B | 0.0000 | |
| 141 | A | B | 0.0000 | |
| 142 | I | B | 0.0000 | |
| 143 | I | B | 0.0000 | |
| 144 | D | B | 0.0000 | |
| 145 | E | B | 0.0000 | |
| 146 | T | B | 0.0000 | |
| 147 | L | B | 0.0000 | |
| 148 | S | B | 0.0000 | |
| 149 | Y | B | 0.0000 | |
| 150 | M | B | 0.0000 | |
| 151 | K | B | 0.0000 | |
| 152 | Y | B | 0.0000 | |
| 153 | H | B | 0.0000 | |
| 154 | H | B | -0.2761 | |
| 155 | L | B | 0.5101 | |
| 156 | H | B | 0.0164 | |
| 157 | G | B | -0.1834 | |
| 158 | L | B | 0.0000 | |
| 159 | P | B | 0.0000 | |
| 160 | V | B | 0.0000 | |
| 161 | N | B | 0.0000 | |
| 162 | P | B | -0.4672 | |
| 163 | H | B | -1.2342 | |
| 164 | D | B | 0.0000 | |
| 165 | P | B | 0.0000 | |
| 166 | Y | B | 0.0000 | |
| 167 | L | B | 0.0000 | |
| 168 | E | B | -0.5506 | |
| 169 | T | B | 0.0000 | |
| 170 | V | B | 0.0000 | |
| 171 | G | B | -0.5488 | |
| 172 | G | B | -0.5648 | |
| 173 | M | B | 0.0000 | |
| 174 | R | B | -0.8978 | |
| 175 | Q | B | -1.4323 | |
| 176 | L | B | -0.6828 | |
| 177 | L | B | 0.0000 | |
| 178 | F | B | -0.7566 | |
| 179 | N | B | -1.2539 | |
| 180 | K | B | -0.7519 | |
| 181 | L | B | 0.0000 | |
| 182 | N | B | -0.6044 | |
| 183 | N | B | 0.0000 | |
| 184 | L | B | 0.0000 | |
| 185 | D | B | -1.2381 | |
| 186 | L | B | 0.0000 | |
| 187 | G | B | 0.0000 | |
| 188 | C | B | -1.7627 | |
| 189 | I | B | 0.0000 | |
| 190 | L | B | 0.0000 | |
| 191 | D | B | -1.7425 | |
| 192 | H | B | -2.1461 | |
| 193 | Q | B | -2.4387 | |
| 194 | D | B | -2.8277 | |
| 195 | G | B | -1.9062 | |
| 196 | W | B | -1.4673 | |
| 197 | G | B | -1.8302 | |
| 198 | D | B | -2.3293 | |
| 199 | H | B | -1.5423 | |
| 200 | C | B | 0.0000 | |
| 201 | S | B | -1.3804 | |
| 202 | T | B | 0.0000 | |
| 203 | L | B | 0.0000 | |
| 204 | K | B | -1.6746 | |
| 205 | R | B | -1.4175 | |
| 206 | L | B | 0.0000 | |
| 207 | V | B | 0.0000 | |
| 208 | K | B | -2.1489 | |
| 209 | K | B | -2.0648 | |
| 210 | P | B | -1.3847 | |
| 211 | G | B | -0.9890 | |
| 212 | Q | B | -0.8597 | |
| 213 | M | B | -0.6687 | |
| 214 | S | B | -0.4874 | |
| 215 | A | B | -0.5265 | |
| 216 | W | B | -0.4191 | |
| 217 | L | B | -0.8647 | |
| 218 | R | B | -2.3893 | |
| 219 | D | B | -1.6106 | |
| 220 | D | B | -1.8291 | |
| 221 | V | B | -1.7171 | |
| 222 | C | B | -2.0875 | |
| 223 | D | B | -2.7385 | |
| 224 | L | B | -1.6333 | |
| 225 | Q | B | -2.1262 | |
| 226 | K | B | -2.8999 | |
| 227 | R | B | -2.5926 | |
| 228 | P | B | -1.7010 | |
| 229 | P | B | 0.0000 | |
| 230 | E | B | -1.4357 | |
| 231 | T | B | -0.8906 | |
| 232 | F | B | 0.0000 | |
| 233 | S | B | -0.6267 | |
| 234 | Q | B | -0.6805 | |
| 235 | P | B | -0.7290 | |
| 236 | M | B | 0.0000 | |
| 237 | H | B | 0.0000 | |
| 238 | R | B | -0.9472 | |
| 239 | A | B | 0.0000 | |
| 240 | M | B | 0.0000 | |
| 241 | A | B | 0.0000 | |
| 242 | Y | B | 0.0000 | |
| 243 | V | B | 0.0000 | |
| 244 | C | B | -0.8582 | |
| 245 | S | B | 0.0000 | |
| 246 | F | B | 0.0000 | |
| 247 | S | B | 0.0000 | |
| 248 | R | B | -1.0553 | |
| 249 | V | B | 0.0000 | |
| 250 | A | B | 0.0000 | |
| 251 | V | B | 0.0000 | |
| 252 | S | B | -1.2660 | |
| 253 | L | B | 0.0000 | |
| 254 | R | B | 0.0000 | |
| 255 | R | B | -1.9937 | |
| 256 | R | B | -1.5724 | |
| 257 | A | B | -0.4502 | |
| 258 | L | B | 0.2066 | |
| 259 | Q | B | -0.9938 | |
| 260 | V | B | -0.1297 | |
| 261 | T | B | 0.0830 | |
| 262 | G | B | -0.0836 | |
| 263 | T | B | -0.0651 | |
| 264 | P | B | 0.1913 | |
| 265 | Q | B | 0.0000 | |
| 266 | F | B | -0.4098 | |
| 267 | F | B | 0.0000 | |
| 268 | D | B | -2.2979 | |
| 269 | Q | B | -1.8100 | |
| 270 | F | B | -1.2386 | |
| 271 | D | B | 0.0000 | |
| 272 | T | B | -1.6232 | |
| 273 | N | B | -1.5016 | |
| 274 | N | B | -2.1037 | |
| 275 | A | B | 0.0000 | |
| 276 | M | B | 0.0000 | |
| 277 | G | B | -1.0019 | |
| 278 | T | B | -1.0114 | |
| 279 | Y | B | 0.0000 | |
| 280 | R | B | -2.0316 | |
| 281 | C | B | 0.0000 | |
| 282 | G | B | 0.0000 | |
| 283 | A | B | -1.2777 | |
| 284 | V | B | 0.0000 | |
| 285 | S | B | 0.0000 | |
| 286 | D | B | -1.9691 | |
| 287 | L | B | -0.7554 | |
| 288 | I | B | 0.0000 | |
| 289 | L | B | 0.0000 | |
| 290 | G | B | -0.7513 | |
| 291 | K | B | -0.8056 | |
| 292 | L | B | 0.0000 | |
| 293 | Q | B | -1.3503 | |
| 294 | C | B | -0.4170 | |
| 295 | H | B | 0.0000 | |
| 296 | E | B | -2.4547 | |
| 297 | C | B | -2.2131 | |
| 298 | Q | B | -2.5260 | |
| 299 | N | B | -2.7008 | |
| 300 | E | B | -3.2329 | |
| 301 | M | B | -1.8182 | |
| 302 | C | B | 0.0000 | |
| 303 | E | B | -3.0240 | |
| 304 | L | B | 0.0000 | |
| 305 | R | B | 0.0000 | |
| 306 | I | B | -0.9809 | |
| 307 | Q | B | -1.0644 | |
| 308 | R | B | -0.7422 | |
| 309 | A | B | 0.0000 | |
| 310 | L | B | -0.0973 | |
| 311 | A | B | -0.3267 | |
| 312 | P | B | -0.2741 | |
| 313 | Y | B | 0.0000 | |
| 314 | R | B | -0.5053 | |
| 315 | F | B | 0.0000 | |
| 316 | M | B | 0.0000 | |
| 317 | I | B | 0.0000 | |
| 318 | A | B | 0.0000 | |
| 319 | Y | B | 0.0000 | |
| 320 | C | B | 0.0000 | |
| 321 | P | B | 0.0000 | |
| 322 | F | B | -1.3837 | |
| 323 | D | B | -2.5993 | |
| 324 | E | B | -2.9379 | |
| 325 | Q | B | -2.3245 | |
| 326 | S | B | -1.2030 | |
| 327 | L | B | -0.7099 | |
| 328 | L | B | 0.0000 | |
| 329 | D | B | -0.7909 | |
| 330 | L | B | 0.0551 | |
| 331 | T | B | -0.2204 | |
| 332 | V | B | 0.0000 | |
| 333 | F | B | 0.0000 | |
| 334 | A | B | -0.2310 | |
| 335 | G | B | -0.1782 | |
| 336 | T | B | -0.2537 | |
| 337 | T | B | -0.3760 | |
| 338 | T | B | -0.2218 | |
| 339 | T | B | -0.1280 | |
| 340 | A | B | -0.0191 | |
| 1 | G | C | -1.5889 | |
| 2 | P | C | -1.6794 | |
| 3 | Q | C | -2.3096 | |
| 4 | Q | C | -2.1224 | |
| 5 | Q | C | -2.0614 | |
| 6 | Q | C | -1.8993 | |
| 7 | M | C | 0.0000 | |
| 8 | L | C | -0.7291 | |
| 9 | A | C | -1.2400 | |
| 10 | L | C | 0.0000 | |
| 11 | I | C | -1.6528 | |
| 12 | D | C | -2.3443 | |
| 13 | D | C | -2.3740 | |
| 14 | E | C | -3.0246 | |
| 15 | L | C | 0.0000 | |
| 16 | D | C | -1.8123 | |
| 17 | A | C | -1.4417 | |
| 18 | M | C | 0.0000 | |
| 19 | D | C | -2.5481 | |
| 20 | E | C | -2.3493 | |
| 21 | D | C | -3.0249 | |
| 22 | E | C | -2.5723 | |
| 23 | L | C | 0.0000 | |
| 24 | Q | C | -1.8508 | |
| 25 | Q | C | -1.9762 | |
| 26 | L | C | 0.0000 | |
| 27 | S | C | 0.0000 | |
| 28 | R | C | -1.4414 | |
| 29 | L | C | 0.0000 | |
| 30 | I | C | 0.0000 | |
| 31 | E | C | 0.0000 | |
| 32 | K | C | -2.6715 | |
| 33 | K | C | -2.3340 | |
| 34 | K | C | 0.0000 | |
| 35 | R | C | -2.6152 | |
| 36 | A | C | -2.5273 | |
| 37 | R | C | -3.0205 | |
| 38 | L | C | -1.4580 | |
| 39 | Q | C | -2.4777 | |
| 40 | R | C | -3.0092 | |
| 41 | G | C | -1.9024 | |
| 42 | A | C | -1.0668 | |
| 43 | A | C | -0.8841 | |
| 44 | S | C | -1.0640 | |
| 45 | S | C | -0.8363 | |
| 46 | G | C | -0.7828 | |
| 47 | T | C | -0.6407 | |
| 48 | S | C | -0.7290 | |
| 49 | P | C | -1.1446 | |
| 50 | S | C | -0.5714 | |
| 51 | S | C | -0.3933 | |
| 52 | T | C | -0.2445 | |
| 53 | S | C | -0.3751 | |
| 54 | P | C | -0.0715 | |
| 55 | V | C | 0.5877 | |
| 56 | Y | C | 0.1750 | |
| 57 | D | C | -0.9610 | |
| 58 | L | C | 0.0000 | |
| 59 | Q | C | -2.2504 | |
| 60 | R | C | -2.4744 | |
| 61 | Y | C | -1.7050 | |
| 62 | T | C | -1.6241 | |
| 63 | A | C | -1.7320 | |
| 64 | E | C | -2.5455 | |
| 65 | S | C | -1.8555 | |
| 66 | L | C | -1.6719 | |
| 67 | R | C | -2.6275 | |
| 68 | L | C | 0.0000 | |
| 69 | A | C | -0.9931 | |
| 70 | P | C | -0.7154 | |
| 71 | Y | C | -0.2843 | |
| 72 | P | C | -0.5892 | |
| 73 | A | C | -0.7790 | |
| 74 | D | C | -2.0525 | |
| 75 | L | C | 0.0000 | |
| 76 | K | C | 0.0000 | |
| 77 | V | C | 0.1764 | |
| 78 | P | C | 0.0000 | |
| 79 | T | C | 0.0000 | |
| 80 | A | C | 0.0000 | |
| 81 | F | C | 0.0000 | |
| 82 | P | C | 0.0000 | |
| 83 | Q | C | 0.0000 | |
| 84 | D | C | -1.3591 | |
| 85 | H | C | -1.2624 | |
| 86 | Q | C | -1.9876 | |
| 87 | P | C | -1.7932 | |
| 88 | R | C | -2.5777 | |
| 89 | G | C | -1.7958 | |
| 90 | R | C | -1.2420 | |
| 91 | I | C | -0.2691 | |
| 92 | L | C | 0.3368 | |
| 93 | L | C | 0.0000 | |
| 94 | S | C | -1.4449 | |
| 95 | H | C | 0.0000 | |
| 96 | D | C | -2.3800 | |
| 97 | E | C | -1.3600 | |
| 98 | L | C | 0.0000 | |
| 99 | M | C | 0.0000 | |
| 100 | H | C | -1.6095 | |
| 101 | T | C | 0.0000 | |
| 102 | D | C | -0.8351 | |
| 103 | Y | C | 0.0000 | |
| 104 | L | C | 0.0000 | |
| 105 | L | C | 0.0000 | |
| 106 | H | C | -0.3084 | |
| 107 | I | C | 0.0000 | |
| 108 | R | C | 0.0000 | |
| 109 | Q | C | -0.6126 | |
| 110 | Q | C | 0.0000 | |
| 111 | F | C | 0.0000 | |
| 112 | D | C | -1.2167 | |
| 113 | W | C | -0.8329 | |
| 114 | L | C | 0.0000 | |
| 115 | E | C | -2.7595 | |
| 116 | E | C | -3.0880 | |
| 117 | P | C | -2.4736 | |
| 118 | L | C | 0.0000 | |
| 119 | L | C | 0.0000 | |
| 120 | R | C | -1.7769 | |
| 121 | K | C | -1.3993 | |
| 122 | L | C | 0.0000 | |
| 123 | V | C | 0.0000 | |
| 124 | V | C | 0.0000 | |
| 125 | E | C | 0.0000 | |
| 126 | R | C | 0.0000 | |
| 127 | I | C | 0.0000 | |
| 128 | F | C | 0.0000 | |
| 129 | A | C | 0.0000 | |
| 130 | V | C | 0.0000 | |
| 131 | R | C | -0.5277 | |
| 132 | N | C | 0.0000 | |
| 133 | A | C | 0.0000 | |
| 134 | P | C | 0.0000 | |
| 135 | N | C | 0.0000 | |
| 136 | L | C | 0.0000 | |
| 137 | H | C | 0.0000 | |
| 138 | T | C | 0.0000 | |
| 139 | L | C | 0.0000 | |
| 140 | L | C | 0.0000 | |
| 141 | A | C | 0.0000 | |
| 142 | I | C | 0.0000 | |
| 143 | I | C | 0.0000 | |
| 144 | D | C | 0.0000 | |
| 145 | E | C | 0.0000 | |
| 146 | T | C | 0.0000 | |
| 147 | L | C | 0.0000 | |
| 148 | S | C | 0.0000 | |
| 149 | Y | C | 0.0000 | |
| 150 | M | C | 0.0000 | |
| 151 | K | C | 0.0000 | |
| 152 | Y | C | 0.0000 | |
| 153 | H | C | 0.0000 | |
| 154 | H | C | -0.3039 | |
| 155 | L | C | 0.4417 | |
| 156 | H | C | -0.0179 | |
| 157 | G | C | -0.1947 | |
| 158 | L | C | 0.0000 | |
| 159 | P | C | 0.0000 | |
| 160 | V | C | 0.0000 | |
| 161 | N | C | 0.0000 | |
| 162 | P | C | -0.0429 | |
| 163 | H | C | -0.6578 | |
| 164 | D | C | 0.0000 | |
| 165 | P | C | 0.0000 | |
| 166 | Y | C | 0.0000 | |
| 167 | L | C | 0.0000 | |
| 168 | E | C | 0.0000 | |
| 169 | T | C | 0.0000 | |
| 170 | V | C | 0.0000 | |
| 171 | G | C | 0.0000 | |
| 172 | G | C | -0.4657 | |
| 173 | M | C | 0.0000 | |
| 174 | R | C | -0.8367 | |
| 175 | Q | C | -1.4007 | |
| 176 | L | C | -0.6452 | |
| 177 | L | C | 0.0000 | |
| 178 | F | C | 0.0000 | |
| 179 | N | C | -1.1521 | |
| 180 | K | C | -0.7273 | |
| 181 | L | C | 0.0000 | |
| 182 | N | C | -0.5896 | |
| 183 | N | C | 0.0000 | |
| 184 | L | C | 0.0000 | |
| 185 | D | C | -1.2333 | |
| 186 | L | C | 0.0000 | |
| 187 | G | C | 0.0000 | |
| 188 | C | C | -1.7550 | |
| 189 | I | C | 0.0000 | |
| 190 | L | C | 0.0000 | |
| 191 | D | C | -1.8226 | |
| 192 | H | C | -2.1757 | |
| 193 | Q | C | -2.4596 | |
| 194 | D | C | -2.8321 | |
| 195 | G | C | -2.0528 | |
| 196 | W | C | -1.4657 | |
| 197 | G | C | -1.9135 | |
| 198 | D | C | -2.5058 | |
| 199 | H | C | -1.7555 | |
| 200 | C | C | 0.0000 | |
| 201 | S | C | -1.4633 | |
| 202 | T | C | 0.0000 | |
| 203 | L | C | 0.0000 | |
| 204 | K | C | -1.6835 | |
| 205 | R | C | -1.3389 | |
| 206 | L | C | 0.0000 | |
| 207 | V | C | 0.0000 | |
| 208 | K | C | -1.8292 | |
| 209 | K | C | -2.1181 | |
| 210 | P | C | -1.2890 | |
| 211 | G | C | -0.9621 | |
| 212 | Q | C | -0.8063 | |
| 213 | M | C | -0.7287 | |
| 214 | S | C | -0.4310 | |
| 215 | A | C | -0.4983 | |
| 216 | W | C | 0.0000 | |
| 217 | L | C | -0.8842 | |
| 218 | R | C | -2.2882 | |
| 219 | D | C | -1.4488 | |
| 220 | D | C | -1.5901 | |
| 221 | V | C | 0.0000 | |
| 222 | C | C | -1.6531 | |
| 223 | D | C | -1.9409 | |
| 224 | L | C | -1.2500 | |
| 225 | Q | C | 0.0000 | |
| 226 | K | C | -2.6001 | |
| 227 | R | C | -2.3883 | |
| 228 | P | C | -1.7081 | |
| 229 | P | C | 0.0000 | |
| 230 | E | C | -1.4373 | |
| 231 | T | C | -0.8848 | |
| 232 | F | C | 0.0000 | |
| 233 | S | C | -0.5732 | |
| 234 | Q | C | -0.5939 | |
| 235 | P | C | -0.6930 | |
| 236 | M | C | 0.0000 | |
| 237 | H | C | 0.0000 | |
| 238 | R | C | -0.9281 | |
| 239 | A | C | 0.0000 | |
| 240 | M | C | 0.0000 | |
| 241 | A | C | 0.0000 | |
| 242 | Y | C | 0.0000 | |
| 243 | V | C | 0.0000 | |
| 244 | C | C | -0.8129 | |
| 245 | S | C | 0.0000 | |
| 246 | F | C | 0.0000 | |
| 247 | S | C | 0.0000 | |
| 248 | R | C | -1.0084 | |
| 249 | V | C | 0.0000 | |
| 250 | A | C | 0.0000 | |
| 251 | V | C | -0.5700 | |
| 252 | S | C | -0.8522 | |
| 253 | L | C | 0.0000 | |
| 254 | R | C | 0.0000 | |
| 255 | R | C | -0.9912 | |
| 256 | R | C | -0.9639 | |
| 257 | A | C | -0.0702 | |
| 258 | L | C | 0.5279 | |
| 259 | Q | C | -0.7482 | |
| 260 | V | C | -0.0367 | |
| 261 | T | C | 0.0675 | |
| 262 | G | C | -0.1038 | |
| 263 | T | C | -0.0600 | |
| 264 | P | C | 0.2110 | |
| 265 | Q | C | 0.0000 | |
| 266 | F | C | -0.3900 | |
| 267 | F | C | 0.0000 | |
| 268 | D | C | -2.3050 | |
| 269 | Q | C | -1.8150 | |
| 270 | F | C | -1.2283 | |
| 271 | D | C | 0.0000 | |
| 272 | T | C | -1.6547 | |
| 273 | N | C | -1.5255 | |
| 274 | N | C | -2.1186 | |
| 275 | A | C | 0.0000 | |
| 276 | M | C | 0.0000 | |
| 277 | G | C | -1.0033 | |
| 278 | T | C | -1.0109 | |
| 279 | Y | C | 0.0000 | |
| 280 | R | C | -2.0554 | |
| 281 | C | C | 0.0000 | |
| 282 | G | C | 0.0000 | |
| 283 | A | C | -1.3250 | |
| 284 | V | C | 0.0000 | |
| 285 | S | C | 0.0000 | |
| 286 | D | C | -2.0562 | |
| 287 | L | C | -0.7700 | |
| 288 | I | C | 0.0000 | |
| 289 | L | C | 0.0000 | |
| 290 | G | C | -0.7649 | |
| 291 | K | C | -0.8044 | |
| 292 | L | C | 0.0000 | |
| 293 | Q | C | -1.4480 | |
| 294 | C | C | -0.4166 | |
| 295 | H | C | 0.0000 | |
| 296 | E | C | -2.4451 | |
| 297 | C | C | -2.1908 | |
| 298 | Q | C | -2.4993 | |
| 299 | N | C | -2.6474 | |
| 300 | E | C | -3.1920 | |
| 301 | M | C | -2.0769 | |
| 302 | C | C | 0.0000 | |
| 303 | E | C | -3.2075 | |
| 304 | L | C | 0.0000 | |
| 305 | R | C | 0.0000 | |
| 306 | I | C | 0.0000 | |
| 307 | Q | C | -1.7853 | |
| 308 | R | C | -1.0503 | |
| 309 | A | C | 0.0000 | |
| 310 | L | C | -0.3603 | |
| 311 | A | C | -0.5221 | |
| 312 | P | C | -0.3119 | |
| 313 | Y | C | 0.0000 | |
| 314 | R | C | -0.4967 | |
| 315 | F | C | 0.0000 | |
| 316 | M | C | 0.0000 | |
| 317 | I | C | 0.0000 | |
| 318 | A | C | 0.0000 | |
| 319 | Y | C | 0.0000 | |
| 320 | C | C | 0.0000 | |
| 321 | P | C | 0.0000 | |
| 322 | F | C | -1.2912 | |
| 323 | D | C | -2.5403 | |
| 324 | E | C | -2.8867 | |
| 325 | Q | C | -2.2436 | |
| 326 | S | C | -1.0594 | |
| 327 | L | C | -0.5718 | |
| 328 | L | C | 0.0000 | |
| 329 | D | C | -0.6672 | |
| 330 | L | C | 0.1080 | |
| 331 | T | C | -0.1779 | |
| 332 | V | C | 0.0000 | |
| 333 | F | C | 0.0000 | |
| 334 | A | C | -0.2296 | |
| 335 | G | C | -0.1576 | |
| 336 | T | C | -0.2266 | |
| 337 | T | C | -0.4056 | |
| 338 | T | C | -0.2102 | |
| 339 | T | C | -0.2502 | |
| 340 | A | C | -0.0589 | |
| 1 | G | D | -1.5471 | |
| 2 | P | D | -1.6734 | |
| 3 | Q | D | -2.1411 | |
| 4 | Q | D | -2.2184 | |
| 5 | Q | D | -2.1625 | |
| 6 | Q | D | -1.9725 | |
| 7 | M | D | 0.0000 | |
| 8 | L | D | -1.1665 | |
| 9 | A | D | -1.5272 | |
| 10 | L | D | -1.6107 | |
| 11 | I | D | -1.9863 | |
| 12 | D | D | -2.9423 | |
| 13 | D | D | -3.0740 | |
| 14 | E | D | -3.3249 | |
| 15 | L | D | 0.0000 | |
| 16 | D | D | -2.0108 | |
| 17 | A | D | -1.4620 | |
| 18 | M | D | 0.0000 | |
| 19 | D | D | -2.5377 | |
| 20 | E | D | -2.3833 | |
| 21 | D | D | -3.0102 | |
| 22 | E | D | -2.6219 | |
| 23 | L | D | 0.0000 | |
| 24 | Q | D | -2.1102 | |
| 25 | Q | D | -2.1594 | |
| 26 | L | D | 0.0000 | |
| 27 | S | D | 0.0000 | |
| 28 | R | D | -2.2553 | |
| 29 | L | D | -1.8442 | |
| 30 | I | D | 0.0000 | |
| 31 | E | D | 0.0000 | |
| 32 | K | D | -2.2422 | |
| 33 | K | D | -1.9458 | |
| 34 | K | D | 0.0000 | |
| 35 | R | D | -2.2204 | |
| 36 | A | D | -2.0766 | |
| 37 | R | D | -2.3475 | |
| 38 | L | D | -1.3354 | |
| 39 | Q | D | -2.3810 | |
| 40 | R | D | -2.8444 | |
| 41 | G | D | -1.8440 | |
| 42 | A | D | -1.0304 | |
| 43 | A | D | -0.9132 | |
| 44 | S | D | -1.0549 | |
| 45 | S | D | -0.8306 | |
| 46 | G | D | -0.7718 | |
| 47 | T | D | -0.6174 | |
| 48 | S | D | -0.6314 | |
| 49 | P | D | -0.9625 | |
| 50 | S | D | -0.5387 | |
| 51 | S | D | -0.3741 | |
| 52 | T | D | -0.2318 | |
| 53 | S | D | -0.2808 | |
| 54 | P | D | -0.0662 | |
| 55 | V | D | 0.5777 | |
| 56 | Y | D | 0.2270 | |
| 57 | D | D | -0.7462 | |
| 58 | L | D | 0.0000 | |
| 59 | Q | D | -1.6347 | |
| 60 | R | D | -2.1607 | |
| 61 | Y | D | -1.5082 | |
| 62 | T | D | -1.3527 | |
| 63 | A | D | -1.6799 | |
| 64 | E | D | -2.5293 | |
| 65 | S | D | -1.8573 | |
| 66 | L | D | -1.6469 | |
| 67 | R | D | -2.6007 | |
| 68 | L | D | 0.0000 | |
| 69 | A | D | -0.9324 | |
| 70 | P | D | -0.6525 | |
| 71 | Y | D | -0.2261 | |
| 72 | P | D | -0.5694 | |
| 73 | A | D | -0.7824 | |
| 74 | D | D | -2.0517 | |
| 75 | L | D | 0.0000 | |
| 76 | K | D | 0.0000 | |
| 77 | V | D | 0.0101 | |
| 78 | P | D | 0.0000 | |
| 79 | T | D | 0.0000 | |
| 80 | A | D | 0.0000 | |
| 81 | F | D | 0.0000 | |
| 82 | P | D | -0.2575 | |
| 83 | Q | D | 0.0000 | |
| 84 | D | D | -1.4557 | |
| 85 | H | D | -1.2775 | |
| 86 | Q | D | -1.9985 | |
| 87 | P | D | -1.7963 | |
| 88 | R | D | -2.5784 | |
| 89 | G | D | -1.7957 | |
| 90 | R | D | -1.2457 | |
| 91 | I | D | -0.2664 | |
| 92 | L | D | 0.3277 | |
| 93 | L | D | 0.0000 | |
| 94 | S | D | -1.4277 | |
| 95 | H | D | 0.0000 | |
| 96 | D | D | -2.3514 | |
| 97 | E | D | -1.2904 | |
| 98 | L | D | 0.0000 | |
| 99 | M | D | 0.0000 | |
| 100 | H | D | -1.5059 | |
| 101 | T | D | 0.0000 | |
| 102 | D | D | 0.0000 | |
| 103 | Y | D | 0.0000 | |
| 104 | L | D | 0.0000 | |
| 105 | L | D | 0.0000 | |
| 106 | H | D | -0.2448 | |
| 107 | I | D | 0.0000 | |
| 108 | R | D | 0.0000 | |
| 109 | Q | D | -0.4761 | |
| 110 | Q | D | 0.0000 | |
| 111 | F | D | 0.0000 | |
| 112 | D | D | -1.1936 | |
| 113 | W | D | -0.8061 | |
| 114 | L | D | 0.0000 | |
| 115 | E | D | -3.1239 | |
| 116 | E | D | -3.3933 | |
| 117 | P | D | -2.8211 | |
| 118 | L | D | 0.0000 | |
| 119 | L | D | 0.0000 | |
| 120 | R | D | -2.8158 | |
| 121 | K | D | -1.8674 | |
| 122 | L | D | 0.0000 | |
| 123 | V | D | 0.0000 | |
| 124 | V | D | 0.0000 | |
| 125 | E | D | 0.0000 | |
| 126 | R | D | 0.0000 | |
| 127 | I | D | 0.0000 | |
| 128 | F | D | 0.0000 | |
| 129 | A | D | 0.0000 | |
| 130 | V | D | 0.0000 | |
| 131 | R | D | -0.6010 | |
| 132 | N | D | 0.0000 | |
| 133 | A | D | 0.0000 | |
| 134 | P | D | 0.0000 | |
| 135 | N | D | 0.0000 | |
| 136 | L | D | 0.0000 | |
| 137 | H | D | 0.0000 | |
| 138 | T | D | 0.0000 | |
| 139 | L | D | 0.0000 | |
| 140 | L | D | 0.0000 | |
| 141 | A | D | 0.0000 | |
| 142 | I | D | 0.0000 | |
| 143 | I | D | 0.0000 | |
| 144 | D | D | 0.0000 | |
| 145 | E | D | 0.0000 | |
| 146 | T | D | 0.0000 | |
| 147 | L | D | 0.0000 | |
| 148 | S | D | 0.0000 | |
| 149 | Y | D | 0.0000 | |
| 150 | M | D | 0.0000 | |
| 151 | K | D | 0.0000 | |
| 152 | Y | D | 0.0000 | |
| 153 | H | D | 0.0000 | |
| 154 | H | D | -0.2735 | |
| 155 | L | D | 0.5023 | |
| 156 | H | D | 0.0160 | |
| 157 | G | D | -0.1734 | |
| 158 | L | D | 0.0000 | |
| 159 | P | D | 0.0000 | |
| 160 | V | D | 0.0000 | |
| 161 | N | D | 0.0000 | |
| 162 | P | D | 0.0000 | |
| 163 | H | D | -1.1690 | |
| 164 | D | D | 0.0000 | |
| 165 | P | D | 0.0000 | |
| 166 | Y | D | 0.0000 | |
| 167 | L | D | 0.0000 | |
| 168 | E | D | -0.5388 | |
| 169 | T | D | 0.0000 | |
| 170 | V | D | 0.0000 | |
| 171 | G | D | -0.4754 | |
| 172 | G | D | -0.5717 | |
| 173 | M | D | 0.0000 | |
| 174 | R | D | -0.8203 | |
| 175 | Q | D | -1.3155 | |
| 176 | L | D | -0.6166 | |
| 177 | L | D | 0.0000 | |
| 178 | F | D | 0.0000 | |
| 179 | N | D | -0.9679 | |
| 180 | K | D | -0.6200 | |
| 181 | L | D | 0.0000 | |
| 182 | N | D | -0.5716 | |
| 183 | N | D | 0.0000 | |
| 184 | L | D | 0.0000 | |
| 185 | D | D | -1.1529 | |
| 186 | L | D | 0.0000 | |
| 187 | G | D | 0.0000 | |
| 188 | C | D | -1.7345 | |
| 189 | I | D | 0.0000 | |
| 190 | L | D | 0.0000 | |
| 191 | D | D | -1.8183 | |
| 192 | H | D | -2.1701 | |
| 193 | Q | D | -2.4525 | |
| 194 | D | D | -2.8123 | |
| 195 | G | D | -1.9697 | |
| 196 | W | D | -1.5185 | |
| 197 | G | D | -1.9424 | |
| 198 | D | D | -2.5763 | |
| 199 | H | D | -1.8043 | |
| 200 | C | D | 0.0000 | |
| 201 | S | D | -1.5482 | |
| 202 | T | D | -1.2655 | |
| 203 | L | D | 0.0000 | |
| 204 | K | D | -1.8871 | |
| 205 | R | D | -1.4746 | |
| 206 | L | D | 0.0000 | |
| 207 | V | D | 0.0000 | |
| 208 | K | D | -2.1624 | |
| 209 | K | D | -2.0749 | |
| 210 | P | D | -1.3980 | |
| 211 | G | D | -1.0184 | |
| 212 | Q | D | -0.8614 | |
| 213 | M | D | -0.4467 | |
| 214 | S | D | -0.2161 | |
| 215 | A | D | -0.2207 | |
| 216 | W | D | -0.0088 | |
| 217 | L | D | -0.1809 | |
| 218 | R | D | -1.2764 | |
| 219 | D | D | -1.0282 | |
| 220 | D | D | -1.5107 | |
| 221 | V | D | -1.5837 | |
| 222 | C | D | -1.8970 | |
| 223 | D | D | -2.7786 | |
| 224 | L | D | -1.6850 | |
| 225 | Q | D | 0.0000 | |
| 226 | K | D | -2.9503 | |
| 227 | R | D | -2.6493 | |
| 228 | P | D | -1.7012 | |
| 229 | P | D | 0.0000 | |
| 230 | E | D | -1.4374 | |
| 231 | T | D | -0.8799 | |
| 232 | F | D | 0.0000 | |
| 233 | S | D | -0.5814 | |
| 234 | Q | D | -0.6223 | |
| 235 | P | D | -0.6566 | |
| 236 | M | D | 0.0000 | |
| 237 | H | D | 0.0000 | |
| 238 | R | D | -0.9405 | |
| 239 | A | D | 0.0000 | |
| 240 | M | D | 0.0000 | |
| 241 | A | D | 0.0000 | |
| 242 | Y | D | 0.0000 | |
| 243 | V | D | 0.0000 | |
| 244 | C | D | 0.0000 | |
| 245 | S | D | 0.0000 | |
| 246 | F | D | 0.0000 | |
| 247 | S | D | 0.0000 | |
| 248 | R | D | -0.7071 | |
| 249 | V | D | 0.0000 | |
| 250 | A | D | 0.0000 | |
| 251 | V | D | -0.4737 | |
| 252 | S | D | -0.7161 | |
| 253 | L | D | 0.0000 | |
| 254 | R | D | 0.0000 | |
| 255 | R | D | -0.9399 | |
| 256 | R | D | -0.8935 | |
| 257 | A | D | -0.0360 | |
| 258 | L | D | 0.5615 | |
| 259 | Q | D | -0.7150 | |
| 260 | V | D | 0.0047 | |
| 261 | T | D | 0.0880 | |
| 262 | G | D | -0.1014 | |
| 263 | T | D | -0.0541 | |
| 264 | P | D | 0.2132 | |
| 265 | Q | D | 0.0000 | |
| 266 | F | D | -0.3878 | |
| 267 | F | D | 0.0000 | |
| 268 | D | D | -2.2936 | |
| 269 | Q | D | -1.8116 | |
| 270 | F | D | -1.1628 | |
| 271 | D | D | 0.0000 | |
| 272 | T | D | -1.6077 | |
| 273 | N | D | -1.6016 | |
| 274 | N | D | -2.1117 | |
| 275 | A | D | 0.0000 | |
| 276 | M | D | 0.0000 | |
| 277 | G | D | -0.9985 | |
| 278 | T | D | -1.0207 | |
| 279 | Y | D | 0.0000 | |
| 280 | R | D | -2.0657 | |
| 281 | C | D | 0.0000 | |
| 282 | G | D | 0.0000 | |
| 283 | A | D | -1.1813 | |
| 284 | V | D | 0.0000 | |
| 285 | S | D | 0.0000 | |
| 286 | D | D | -1.6410 | |
| 287 | L | D | -0.5866 | |
| 288 | I | D | 0.0000 | |
| 289 | L | D | 0.0000 | |
| 290 | G | D | -0.6505 | |
| 291 | K | D | -0.7480 | |
| 292 | L | D | 0.0000 | |
| 293 | Q | D | -1.3816 | |
| 294 | C | D | -0.4191 | |
| 295 | H | D | 0.0000 | |
| 296 | E | D | -2.3785 | |
| 297 | C | D | -2.1131 | |
| 298 | Q | D | -2.4284 | |
| 299 | N | D | -2.5181 | |
| 300 | E | D | -3.0722 | |
| 301 | M | D | -1.9726 | |
| 302 | C | D | 0.0000 | |
| 303 | E | D | -2.6744 | |
| 304 | L | D | 0.0000 | |
| 305 | R | D | 0.0000 | |
| 306 | I | D | 0.0000 | |
| 307 | Q | D | -1.2496 | |
| 308 | R | D | 0.0000 | |
| 309 | A | D | 0.0000 | |
| 310 | L | D | -0.1922 | |
| 311 | A | D | -0.3365 | |
| 312 | P | D | -0.2160 | |
| 313 | Y | D | 0.0000 | |
| 314 | R | D | -0.4170 | |
| 315 | F | D | 0.0000 | |
| 316 | M | D | 0.0000 | |
| 317 | I | D | 0.0000 | |
| 318 | A | D | 0.0000 | |
| 319 | Y | D | 0.0000 | |
| 320 | C | D | 0.0000 | |
| 321 | P | D | 0.0000 | |
| 322 | F | D | -1.3655 | |
| 323 | D | D | -2.6030 | |
| 324 | E | D | -2.9343 | |
| 325 | Q | D | -2.3106 | |
| 326 | S | D | -1.1365 | |
| 327 | L | D | -0.6033 | |
| 328 | L | D | 0.0000 | |
| 329 | D | D | -0.6106 | |
| 330 | L | D | 0.1615 | |
| 331 | T | D | -0.1561 | |
| 332 | V | D | 0.0000 | |
| 333 | F | D | 0.0000 | |
| 334 | A | D | -0.2226 | |
| 335 | G | D | -0.1590 | |
| 336 | T | D | -0.2264 | |
| 337 | T | D | -0.3978 | |
| 338 | T | D | -0.2155 | |
| 339 | T | D | -0.1322 | |
| 340 | A | D | -0.0566 |
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 | -0.594 | 1.6959 | View | CSV | PDB |
| 4.5 | -0.6562 | 1.6642 | View | CSV | PDB |
| 5.0 | -0.7303 | 1.6316 | View | CSV | PDB |
| 5.5 | -0.8058 | 1.5988 | View | CSV | PDB |
| 6.0 | -0.8741 | 1.5659 | View | CSV | PDB |
| 6.5 | -0.9304 | 1.5334 | View | CSV | PDB |
| 7.0 | -0.9742 | 1.5016 | View | CSV | PDB |
| 7.5 | -1.0088 | 1.4722 | View | CSV | PDB |
| 8.0 | -1.0365 | 1.4483 | View | CSV | PDB |
| 8.5 | -1.0562 | 1.433 | View | CSV | PDB |
| 9.0 | -1.065 | 1.4255 | 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