| Chain sequence(s) | GVGNASGDWHCDSTWSEGHVTTTSTRTWVLPTYNNHLYKRLGESLQSNTYNGFSTPWGYFDFNRFHCHFSPRDWQRLINNNWGMRPKAMRVKIFNIQVKEVTTSNGETTVANNLTSTVQIFADSSYELPYVMDAGQEGSLPPFPNDVFMVPQYGYCGLVTGNTSQQQTDRNAFYCLEYFPSQMLRTGNNFEITYSFEKVPFHSMYAHSQSLDRLMNPLIDQYLWGLQSTTTGTTLNAGTATTNFTKLRPTNFSNFKKNWLPGPSIKQQGFSKTANQNYKIPATGSDSLIKYETHSTLDGRWSALTPGPPMATAGPADSKFSNSQLIFAGPKQNGNTATVPGTLIFTSEEELAATNATDTDMWGNLPGGDQSNSNLPTVDRLTALGAVPGMVWQNRDIYYQGPIWAKIPHTDGHFHPSPLIGGFGLKHPPPQIFIKNTPVPANPATTFSSTPVNSFITQYSTGQVSVQIDWEIQKERSKRWNPEVQFTSNYGQQNSLLWAPDAAGKYTEPRAIGTRYLTHHLGVGNASGDWHCDSTWSEGHVTTTSTRTWVLPTYNNHLYKRLGESLQSNTYNGFSTPWGYFDFNRFHCHFSPRDWQRLINNNWGMRPKAMRVKIFNIQVKEVTTSNGETTVANNLTSTVQIFADSSYELPYVMDAGQEGSLPPFPNDVFMVPQYGYCGLVTGNTSQQQTDRNAFYCLEYFPSQMLRTGNNFEITYSFEKVPFHSMYAHSQSLDRLMNPLIDQYLWGLQSTTTGTTLNAGTATTNFTKLRPTNFSNFKKNWLPGPSIKQQGFSKTANQNYKIPATGSDSLIKYETHSTLDGRWSALTPGPPMATAGPADSKFSNSQLIFAGPKQNGNTATVPGTLIFTSEEELAATNATDTDMWGNLPGGDQSNSNLPTVDRLTALGAVPGMVWQNRDIYYQGPIWAKIPHTDGHFHPSPLIGGFGLKHPPPQIFIKNTPVPANPATTFSSTPVNSFITQYSTGQVSVQIDWEIQKERSKRWNPEVQFTSNYGQQNSLLWAPDAAGKYTEPRAIGTRYLTHHLGVGNASGDWHCDSTWSEGHVTTTSTRTWVLPTYNNHLYKRLGESLQSNTYNGFSTPWGYFDFNRFHCHFSPRDWQRLINNNWGMRPKAMRVKIFNIQVKEVTTSNGETTVANNLTSTVQIFADSSYELPYVMDAGQEGSLPPFPNDVFMVPQYGYCGLVTGNTSQQQTDRNAFYCLEYFPSQMLRTGNNFEITYSFEKVPFHSMYAHSQSLDRLMNPLIDQYLWGLQSTTTGTTLNAGTATTNFTKLRPTNFSNFKKNWLPGPSIKQQGFSKTANQNYKIPATGSDSLIKYETHSTLDGRWSALTPGPPMATAGPADSKFSNSQLIFAGPKQNGNTATVPGTLIFTSEEELAATNATDTDMWGNLPGGDQSNSNLPTVDRLTALGAVPGMVWQNRDIYYQGPIWAKIPHTDGHFHPSPLIGGFGLKHPPPQIFIKNTPVPANPATTFSSTPVNSFITQYSTGQVSVQIDWEIQKERSKRWNPEVQFTSNYGQQNSLLWAPDAAGKYTEPRAIGTRYLTHHL input PDB |
| Selected Chain(s) | A,B,C |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[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. (00:00:11)
[INFO] FoldX: Starting FoldX energy minimization (00:00:11)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:11:53)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/e75eaee480678a/tmp/folded.pdb (00:11:53)
[INFO] Main: Simulation completed successfully. (00:40:33)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 18 | G | A | -0.5459 | |
| 19 | V | A | 0.6442 | |
| 20 | G | A | -0.3913 | |
| 21 | N | A | -1.2696 | |
| 22 | A | A | -1.0971 | |
| 23 | S | A | -1.1712 | |
| 24 | G | A | -1.4570 | |
| 25 | D | A | -1.7798 | |
| 26 | W | A | -0.8381 | |
| 27 | H | A | -1.4690 | |
| 28 | C | A | -1.1256 | |
| 29 | D | A | -1.9201 | |
| 30 | S | A | -1.0576 | |
| 31 | T | A | -0.5290 | |
| 32 | W | A | -0.5995 | |
| 33 | S | A | -1.1951 | |
| 34 | E | A | -2.5040 | |
| 35 | G | A | -1.9142 | |
| 36 | H | A | -1.5375 | |
| 37 | V | A | 0.0000 | |
| 38 | T | A | -0.6496 | |
| 39 | T | A | 0.0000 | |
| 40 | T | A | -0.9614 | |
| 41 | S | A | 0.0000 | |
| 42 | T | A | 0.0000 | |
| 43 | R | A | 0.0000 | |
| 44 | T | A | 0.2194 | |
| 45 | W | A | 0.0000 | |
| 46 | V | A | 0.9719 | |
| 47 | L | A | 0.0000 | |
| 48 | P | A | 0.1114 | |
| 49 | T | A | -0.2360 | |
| 50 | Y | A | -0.1979 | |
| 51 | N | A | -0.8119 | |
| 52 | N | A | -1.1766 | |
| 53 | H | A | -0.3587 | |
| 54 | L | A | 0.4279 | |
| 55 | Y | A | -0.1164 | |
| 56 | K | A | -1.3668 | |
| 57 | R | A | -0.8101 | |
| 58 | L | A | -0.4968 | |
| 59 | G | A | -1.0649 | |
| 60 | E | A | -1.2506 | |
| 61 | S | A | -1.0965 | |
| 62 | L | A | -0.6094 | |
| 63 | Q | A | -1.3758 | |
| 64 | S | A | 0.0000 | |
| 65 | N | A | -0.7893 | |
| 66 | T | A | 0.0000 | |
| 67 | Y | A | 0.0000 | |
| 68 | N | A | 0.0000 | |
| 69 | G | A | 0.0000 | |
| 70 | F | A | -0.1423 | |
| 71 | S | A | 0.0000 | |
| 72 | T | A | 0.0000 | |
| 73 | P | A | 0.0000 | |
| 74 | W | A | 0.0000 | |
| 75 | G | A | 0.0000 | |
| 76 | Y | A | 0.0000 | |
| 77 | F | A | 0.0000 | |
| 78 | D | A | 0.0000 | |
| 79 | F | A | 0.0000 | |
| 80 | N | A | 0.0000 | |
| 81 | R | A | -0.3647 | |
| 82 | F | A | 0.0000 | |
| 83 | H | A | 0.0000 | |
| 84 | C | A | 0.0000 | |
| 85 | H | A | 0.0000 | |
| 86 | F | A | 0.0000 | |
| 87 | S | A | -1.1504 | |
| 88 | P | A | -1.2801 | |
| 89 | R | A | -2.3694 | |
| 90 | D | A | -1.8246 | |
| 91 | W | A | 0.0000 | |
| 92 | Q | A | -1.8572 | |
| 93 | R | A | -2.1496 | |
| 94 | L | A | 0.0000 | |
| 95 | I | A | 0.0000 | |
| 96 | N | A | -1.5060 | |
| 97 | N | A | -2.5052 | |
| 98 | N | A | 0.0000 | |
| 99 | W | A | -1.2701 | |
| 100 | G | A | 0.0000 | |
| 101 | M | A | 0.0000 | |
| 102 | R | A | -0.9804 | |
| 103 | P | A | 0.0000 | |
| 104 | K | A | -1.4380 | |
| 105 | A | A | -0.8243 | |
| 106 | M | A | 0.0000 | |
| 107 | R | A | -1.2807 | |
| 108 | V | A | 0.0000 | |
| 109 | K | A | -1.5184 | |
| 110 | I | A | 0.0000 | |
| 111 | F | A | 0.0000 | |
| 112 | N | A | -1.1836 | |
| 113 | I | A | 0.0000 | |
| 114 | Q | A | -0.9285 | |
| 115 | V | A | 0.0000 | |
| 116 | K | A | -0.5067 | |
| 117 | E | A | -0.0612 | |
| 118 | V | A | 0.4189 | |
| 119 | T | A | -0.1141 | |
| 120 | T | A | -1.0111 | |
| 121 | S | A | -1.6612 | |
| 122 | N | A | -2.1943 | |
| 123 | G | A | -2.0820 | |
| 124 | E | A | -2.5901 | |
| 125 | T | A | -1.0319 | |
| 126 | T | A | -0.0674 | |
| 127 | V | A | 0.7994 | |
| 128 | A | A | -0.0795 | |
| 129 | N | A | -1.0878 | |
| 130 | N | A | -0.5746 | |
| 131 | L | A | 0.3574 | |
| 132 | T | A | 0.0111 | |
| 133 | S | A | 0.0000 | |
| 134 | T | A | -0.5476 | |
| 135 | V | A | 0.0000 | |
| 136 | Q | A | -0.5237 | |
| 137 | I | A | 0.0000 | |
| 138 | F | A | 0.0000 | |
| 139 | A | A | -0.3550 | |
| 140 | D | A | 0.0000 | |
| 141 | S | A | -0.4276 | |
| 142 | S | A | -0.4352 | |
| 143 | Y | A | -0.4910 | |
| 144 | E | A | -0.5648 | |
| 145 | L | A | 0.0000 | |
| 146 | P | A | 0.0000 | |
| 147 | Y | A | 0.0000 | |
| 148 | V | A | 0.0000 | |
| 149 | M | A | 0.0000 | |
| 150 | D | A | 0.0000 | |
| 151 | A | A | -0.1983 | |
| 152 | G | A | 0.0000 | |
| 153 | Q | A | 0.0000 | |
| 154 | E | A | -1.6515 | |
| 155 | G | A | -0.6075 | |
| 156 | S | A | -0.3890 | |
| 157 | L | A | 0.0000 | |
| 158 | P | A | -0.3436 | |
| 159 | P | A | -0.4499 | |
| 160 | F | A | -0.5709 | |
| 161 | P | A | -0.7713 | |
| 162 | N | A | -1.6304 | |
| 163 | D | A | -1.6367 | |
| 164 | V | A | 0.8734 | |
| 165 | F | A | 0.0000 | |
| 166 | M | A | 1.4511 | |
| 167 | V | A | 0.0000 | |
| 168 | P | A | 0.0000 | |
| 169 | Q | A | 0.0877 | |
| 170 | Y | A | 0.0000 | |
| 171 | G | A | 0.0000 | |
| 172 | Y | A | 0.0000 | |
| 173 | C | A | 0.0000 | |
| 174 | G | A | 0.0000 | |
| 175 | L | A | -0.4977 | |
| 176 | V | A | 0.0000 | |
| 177 | T | A | -0.9139 | |
| 178 | G | A | -0.8676 | |
| 179 | N | A | -1.0564 | |
| 180 | T | A | -1.0714 | |
| 181 | S | A | -1.2741 | |
| 182 | Q | A | -1.6763 | |
| 183 | Q | A | -2.1297 | |
| 184 | Q | A | -2.3287 | |
| 185 | T | A | -1.8696 | |
| 186 | D | A | -2.2522 | |
| 187 | R | A | -1.3925 | |
| 188 | N | A | -1.2383 | |
| 189 | A | A | -0.3202 | |
| 190 | F | A | 0.5012 | |
| 191 | Y | A | 0.0000 | |
| 192 | C | A | 0.3778 | |
| 193 | L | A | 0.0000 | |
| 194 | E | A | -0.8737 | |
| 195 | Y | A | 0.7070 | |
| 196 | F | A | 0.0000 | |
| 197 | P | A | -0.4350 | |
| 198 | S | A | -0.6516 | |
| 199 | Q | A | -0.9973 | |
| 200 | M | A | -0.2643 | |
| 201 | L | A | 0.0000 | |
| 202 | R | A | -1.5764 | |
| 203 | T | A | -1.2074 | |
| 204 | G | A | -1.1711 | |
| 205 | N | A | -1.6852 | |
| 206 | N | A | -1.7981 | |
| 207 | F | A | -1.3803 | |
| 208 | E | A | -2.0825 | |
| 209 | I | A | -0.8868 | |
| 210 | T | A | -0.7023 | |
| 211 | Y | A | -0.2897 | |
| 212 | S | A | -0.8767 | |
| 213 | F | A | 0.0000 | |
| 214 | E | A | -1.8113 | |
| 215 | K | A | -2.0626 | |
| 216 | V | A | 0.0000 | |
| 217 | P | A | -0.5859 | |
| 218 | F | A | -0.2292 | |
| 219 | H | A | 0.0000 | |
| 220 | S | A | 0.0000 | |
| 221 | M | A | 0.0000 | |
| 222 | Y | A | 0.0000 | |
| 223 | A | A | 0.0000 | |
| 224 | H | A | 0.0000 | |
| 225 | S | A | 0.0000 | |
| 226 | Q | A | 0.0000 | |
| 227 | S | A | 0.0000 | |
| 228 | L | A | 0.0000 | |
| 229 | D | A | 0.0000 | |
| 230 | R | A | 0.0000 | |
| 231 | L | A | 0.2528 | |
| 232 | M | A | 0.0000 | |
| 233 | N | A | 0.0000 | |
| 234 | P | A | 0.0000 | |
| 235 | L | A | 0.2221 | |
| 236 | I | A | -0.5005 | |
| 237 | D | A | -1.4612 | |
| 238 | Q | A | 0.0000 | |
| 239 | Y | A | 0.0000 | |
| 240 | L | A | 0.0000 | |
| 241 | W | A | 0.0000 | |
| 242 | G | A | 0.0000 | |
| 243 | L | A | 0.0000 | |
| 244 | Q | A | -0.3575 | |
| 245 | S | A | 0.0000 | |
| 246 | T | A | 0.0000 | |
| 247 | T | A | 0.0000 | |
| 248 | T | A | -0.5460 | |
| 249 | G | A | -0.7251 | |
| 250 | T | A | -0.7458 | |
| 251 | T | A | -0.7552 | |
| 252 | L | A | -0.7684 | |
| 253 | N | A | -1.5581 | |
| 254 | A | A | -0.9640 | |
| 255 | G | A | -0.9290 | |
| 256 | T | A | -0.7513 | |
| 257 | A | A | -1.1010 | |
| 258 | T | A | -0.3860 | |
| 259 | T | A | 0.0000 | |
| 260 | N | A | -0.0860 | |
| 261 | F | A | 0.0000 | |
| 262 | T | A | -0.9971 | |
| 263 | K | A | -1.4060 | |
| 264 | L | A | 0.0000 | |
| 265 | R | A | -2.2720 | |
| 266 | P | A | -1.0601 | |
| 267 | T | A | -0.7724 | |
| 268 | N | A | -0.9325 | |
| 269 | F | A | 0.0000 | |
| 270 | S | A | 0.0000 | |
| 271 | N | A | -0.5259 | |
| 272 | F | A | 0.0000 | |
| 273 | K | A | 0.0000 | |
| 274 | K | A | -0.1846 | |
| 275 | N | A | 0.0000 | |
| 276 | W | A | 0.0000 | |
| 277 | L | A | 0.0000 | |
| 278 | P | A | 0.0000 | |
| 279 | G | A | 0.0000 | |
| 280 | P | A | 0.0000 | |
| 281 | S | A | 0.0000 | |
| 282 | I | A | 0.0000 | |
| 283 | K | A | 0.0000 | |
| 284 | Q | A | 0.0000 | |
| 285 | Q | A | 0.0000 | |
| 286 | G | A | 0.0000 | |
| 287 | F | A | 0.0000 | |
| 288 | S | A | -1.3026 | |
| 289 | K | A | -0.9111 | |
| 290 | T | A | -0.7626 | |
| 291 | A | A | -1.0280 | |
| 292 | N | A | -2.1432 | |
| 293 | Q | A | -2.3216 | |
| 294 | N | A | 0.0000 | |
| 295 | Y | A | -1.4009 | |
| 296 | K | A | -1.4243 | |
| 297 | I | A | 0.0000 | |
| 298 | P | A | 0.0000 | |
| 299 | A | A | -0.3969 | |
| 300 | T | A | -0.5425 | |
| 301 | G | A | -0.8401 | |
| 302 | S | A | -0.7038 | |
| 303 | D | A | -0.8565 | |
| 304 | S | A | -0.5281 | |
| 305 | L | A | 0.0000 | |
| 306 | I | A | -0.0573 | |
| 307 | K | A | -0.3356 | |
| 308 | Y | A | 0.0000 | |
| 309 | E | A | 0.0000 | |
| 310 | T | A | 0.0000 | |
| 311 | H | A | 0.0000 | |
| 312 | S | A | 0.0000 | |
| 313 | T | A | 0.0000 | |
| 314 | L | A | 0.0000 | |
| 315 | D | A | -0.7711 | |
| 316 | G | A | -0.6653 | |
| 317 | R | A | 0.0000 | |
| 318 | W | A | -0.1087 | |
| 319 | S | A | -0.0065 | |
| 320 | A | A | 0.0000 | |
| 321 | L | A | 0.0000 | |
| 322 | T | A | 0.0000 | |
| 323 | P | A | 0.0000 | |
| 324 | G | A | 0.0000 | |
| 325 | P | A | 0.0000 | |
| 326 | P | A | 0.0000 | |
| 327 | M | A | 0.0000 | |
| 328 | A | A | 0.0000 | |
| 329 | T | A | 0.0000 | |
| 330 | A | A | -1.2101 | |
| 331 | G | A | -1.3480 | |
| 332 | P | A | -1.0303 | |
| 333 | A | A | -1.0011 | |
| 334 | D | A | -1.9096 | |
| 335 | S | A | -1.5199 | |
| 336 | K | A | -1.5363 | |
| 337 | F | A | 0.0000 | |
| 338 | S | A | 0.0000 | |
| 339 | N | A | -0.1483 | |
| 340 | S | A | 0.0000 | |
| 341 | Q | A | 0.0000 | |
| 342 | L | A | 0.0000 | |
| 343 | I | A | 0.0000 | |
| 344 | F | A | 0.0000 | |
| 345 | A | A | -0.8490 | |
| 346 | G | A | -1.0610 | |
| 347 | P | A | -1.4872 | |
| 348 | K | A | -2.3456 | |
| 349 | Q | A | -1.7337 | |
| 350 | N | A | -2.2196 | |
| 351 | G | A | -1.7303 | |
| 352 | N | A | -1.6503 | |
| 353 | T | A | -0.7947 | |
| 354 | A | A | 0.0000 | |
| 355 | T | A | 0.5908 | |
| 356 | V | A | 1.4601 | |
| 357 | P | A | 0.4716 | |
| 358 | G | A | -0.1617 | |
| 359 | T | A | -0.5443 | |
| 360 | L | A | 0.0000 | |
| 361 | I | A | -0.1281 | |
| 362 | F | A | 0.0000 | |
| 363 | T | A | 0.0000 | |
| 364 | S | A | -0.8543 | |
| 365 | E | A | 0.0000 | |
| 366 | E | A | -1.9802 | |
| 367 | E | A | -1.1846 | |
| 368 | L | A | 0.0000 | |
| 369 | A | A | -0.7622 | |
| 370 | A | A | 0.0000 | |
| 371 | T | A | 0.0000 | |
| 372 | N | A | 0.0000 | |
| 373 | A | A | 0.0000 | |
| 374 | T | A | -0.5368 | |
| 375 | D | A | 0.0000 | |
| 376 | T | A | -0.6259 | |
| 377 | D | A | -0.8918 | |
| 378 | M | A | -0.3448 | |
| 379 | W | A | 0.0000 | |
| 380 | G | A | 0.0000 | |
| 381 | N | A | 0.0000 | |
| 382 | L | A | 0.0000 | |
| 383 | P | A | 0.0000 | |
| 384 | G | A | -0.8785 | |
| 385 | G | A | -1.2244 | |
| 386 | D | A | -2.0721 | |
| 387 | Q | A | 0.0000 | |
| 388 | S | A | -1.9222 | |
| 389 | N | A | -2.4483 | |
| 390 | S | A | -1.4971 | |
| 391 | N | A | -1.6621 | |
| 392 | L | A | -0.7283 | |
| 393 | P | A | 0.0000 | |
| 394 | T | A | -0.4243 | |
| 395 | V | A | -0.1863 | |
| 396 | D | A | -1.2969 | |
| 397 | R | A | -1.2367 | |
| 398 | L | A | 0.0000 | |
| 399 | T | A | -0.5761 | |
| 400 | A | A | -0.1257 | |
| 401 | L | A | 0.0000 | |
| 402 | G | A | 0.0000 | |
| 403 | A | A | 0.0000 | |
| 404 | V | A | 0.0000 | |
| 405 | P | A | 0.0000 | |
| 406 | G | A | 0.0000 | |
| 407 | M | A | 0.0000 | |
| 408 | V | A | 0.0000 | |
| 409 | W | A | 0.0000 | |
| 410 | Q | A | 0.0000 | |
| 411 | N | A | -0.3522 | |
| 412 | R | A | 0.0000 | |
| 413 | D | A | 0.0000 | |
| 414 | I | A | 0.0000 | |
| 415 | Y | A | 0.0000 | |
| 416 | Y | A | 0.0000 | |
| 417 | Q | A | 0.0000 | |
| 418 | G | A | 0.0000 | |
| 419 | P | A | 0.0000 | |
| 420 | I | A | 0.0000 | |
| 421 | W | A | 0.0000 | |
| 422 | A | A | 0.0000 | |
| 423 | K | A | -0.9872 | |
| 424 | I | A | 0.0000 | |
| 425 | P | A | 0.0000 | |
| 426 | H | A | -0.9268 | |
| 427 | T | A | -0.6055 | |
| 428 | D | A | -0.7296 | |
| 429 | G | A | 0.0000 | |
| 430 | H | A | -0.9171 | |
| 431 | F | A | 0.0000 | |
| 432 | H | A | -0.5515 | |
| 433 | P | A | -0.5830 | |
| 434 | S | A | -0.3550 | |
| 435 | P | A | 0.0000 | |
| 436 | L | A | 0.0000 | |
| 437 | I | A | 0.0000 | |
| 438 | G | A | 0.0000 | |
| 439 | G | A | -0.1425 | |
| 440 | F | A | 0.0000 | |
| 441 | G | A | -0.7375 | |
| 442 | L | A | 0.0000 | |
| 443 | K | A | -2.3611 | |
| 444 | H | A | -1.9852 | |
| 445 | P | A | 0.0000 | |
| 446 | P | A | 0.0000 | |
| 447 | P | A | 0.0000 | |
| 448 | Q | A | 0.0000 | |
| 449 | I | A | 0.0000 | |
| 450 | F | A | 0.0000 | |
| 451 | I | A | 0.0000 | |
| 452 | K | A | 0.0000 | |
| 453 | N | A | 0.0000 | |
| 454 | T | A | 0.1473 | |
| 455 | P | A | 0.0294 | |
| 456 | V | A | 0.3554 | |
| 457 | P | A | 0.0622 | |
| 458 | A | A | -0.3085 | |
| 459 | N | A | -1.2655 | |
| 460 | P | A | -0.5225 | |
| 461 | A | A | 0.1351 | |
| 462 | T | A | 0.1412 | |
| 463 | T | A | 0.7709 | |
| 464 | F | A | 1.7083 | |
| 465 | S | A | 0.7446 | |
| 466 | S | A | 0.2579 | |
| 467 | T | A | 0.1209 | |
| 468 | P | A | 0.0831 | |
| 469 | V | A | 0.7912 | |
| 470 | N | A | -0.6024 | |
| 471 | S | A | -0.4539 | |
| 472 | F | A | 0.1359 | |
| 473 | I | A | 0.6124 | |
| 474 | T | A | 0.2838 | |
| 475 | Q | A | 0.0000 | |
| 476 | Y | A | 0.3433 | |
| 477 | S | A | 0.0000 | |
| 478 | T | A | 0.1636 | |
| 479 | G | A | 0.0000 | |
| 480 | Q | A | -0.3714 | |
| 481 | V | A | 0.0000 | |
| 482 | S | A | -0.9271 | |
| 483 | V | A | 0.0000 | |
| 484 | Q | A | -1.0190 | |
| 485 | I | A | 0.0000 | |
| 486 | D | A | -0.8343 | |
| 487 | W | A | 0.0000 | |
| 488 | E | A | -1.3821 | |
| 489 | I | A | 0.0000 | |
| 490 | Q | A | -2.3920 | |
| 491 | K | A | -3.4950 | |
| 492 | E | A | -2.8692 | |
| 493 | R | A | -2.9155 | |
| 494 | S | A | -1.2950 | |
| 495 | K | A | -0.1964 | |
| 496 | R | A | 0.0000 | |
| 497 | W | A | 1.1532 | |
| 498 | N | A | -0.1577 | |
| 499 | P | A | -0.6079 | |
| 500 | E | A | -0.8274 | |
| 501 | V | A | -0.7581 | |
| 502 | Q | A | -0.8379 | |
| 503 | F | A | 0.0000 | |
| 504 | T | A | -0.8593 | |
| 505 | S | A | -0.8573 | |
| 506 | N | A | -1.5132 | |
| 507 | Y | A | -0.7188 | |
| 508 | G | A | -1.3276 | |
| 509 | Q | A | -1.9074 | |
| 510 | Q | A | -1.4746 | |
| 511 | N | A | -1.6068 | |
| 512 | S | A | -0.4709 | |
| 513 | L | A | 0.8782 | |
| 514 | L | A | 0.7318 | |
| 515 | W | A | 0.3012 | |
| 516 | A | A | 0.1709 | |
| 517 | P | A | -0.7363 | |
| 518 | D | A | -1.1626 | |
| 519 | A | A | -0.7440 | |
| 520 | A | A | -0.8829 | |
| 521 | G | A | -1.4785 | |
| 522 | K | A | -2.2329 | |
| 523 | Y | A | -1.2085 | |
| 524 | T | A | -0.8277 | |
| 525 | E | A | -0.4434 | |
| 526 | P | A | -0.4892 | |
| 527 | R | A | -0.5681 | |
| 528 | A | A | 0.0000 | |
| 529 | I | A | 0.0000 | |
| 530 | G | A | -0.0906 | |
| 531 | T | A | 0.0000 | |
| 532 | R | A | 0.0000 | |
| 533 | Y | A | -0.4412 | |
| 534 | L | A | 0.0000 | |
| 535 | T | A | 0.0000 | |
| 536 | H | A | -0.5316 | |
| 537 | H | A | 0.0000 | |
| 538 | L | A | 0.0000 | |
| 18 | G | B | -0.5441 | |
| 19 | V | B | 0.6412 | |
| 20 | G | B | -0.3923 | |
| 21 | N | B | -1.2780 | |
| 22 | A | B | -1.1089 | |
| 23 | S | B | -1.2098 | |
| 24 | G | B | -1.4977 | |
| 25 | D | B | -1.7825 | |
| 26 | W | B | -0.8217 | |
| 27 | H | B | -1.4422 | |
| 28 | C | B | -1.0767 | |
| 29 | D | B | -1.8974 | |
| 30 | S | B | -1.0291 | |
| 31 | T | B | -0.5069 | |
| 32 | W | B | -0.5960 | |
| 33 | S | B | -1.1878 | |
| 34 | E | B | -2.2531 | |
| 35 | G | B | -1.5831 | |
| 36 | H | B | -1.3410 | |
| 37 | V | B | 0.0000 | |
| 38 | T | B | -0.5705 | |
| 39 | T | B | 0.0000 | |
| 40 | T | B | -0.9180 | |
| 41 | S | B | 0.0000 | |
| 42 | T | B | 0.0000 | |
| 43 | R | B | 0.0000 | |
| 44 | T | B | 0.2040 | |
| 45 | W | B | 0.0000 | |
| 46 | V | B | 1.0135 | |
| 47 | L | B | 0.0000 | |
| 48 | P | B | 0.1277 | |
| 49 | T | B | -0.2339 | |
| 50 | Y | B | -0.1951 | |
| 51 | N | B | -0.8070 | |
| 52 | N | B | -1.1813 | |
| 53 | H | B | -0.3633 | |
| 54 | L | B | 0.4648 | |
| 55 | Y | B | -0.1572 | |
| 56 | K | B | -1.4134 | |
| 57 | R | B | -1.0277 | |
| 58 | L | B | -0.5285 | |
| 59 | G | B | -1.0045 | |
| 60 | E | B | -1.2619 | |
| 61 | S | B | -1.1369 | |
| 62 | L | B | -0.6953 | |
| 63 | Q | B | -1.4225 | |
| 64 | S | B | 0.0000 | |
| 65 | N | B | -0.8246 | |
| 66 | T | B | 0.0000 | |
| 67 | Y | B | 0.0000 | |
| 68 | N | B | 0.0000 | |
| 69 | G | B | 0.0000 | |
| 70 | F | B | -0.1984 | |
| 71 | S | B | 0.0000 | |
| 72 | T | B | 0.0000 | |
| 73 | P | B | 0.0000 | |
| 74 | W | B | 0.0000 | |
| 75 | G | B | 0.0000 | |
| 76 | Y | B | 0.0000 | |
| 77 | F | B | 0.0000 | |
| 78 | D | B | 0.0000 | |
| 79 | F | B | 0.0000 | |
| 80 | N | B | 0.0000 | |
| 81 | R | B | -0.3620 | |
| 82 | F | B | 0.0000 | |
| 83 | H | B | 0.0000 | |
| 84 | C | B | 0.0000 | |
| 85 | H | B | 0.0000 | |
| 86 | F | B | 0.0000 | |
| 87 | S | B | -1.1465 | |
| 88 | P | B | -1.2774 | |
| 89 | R | B | -2.3691 | |
| 90 | D | B | -1.8307 | |
| 91 | W | B | 0.0000 | |
| 92 | Q | B | -1.7938 | |
| 93 | R | B | -2.0917 | |
| 94 | L | B | 0.0000 | |
| 95 | I | B | 0.0000 | |
| 96 | N | B | -1.1749 | |
| 97 | N | B | -1.8255 | |
| 98 | N | B | 0.0000 | |
| 99 | W | B | 0.0000 | |
| 100 | G | B | 0.0000 | |
| 101 | M | B | 0.0000 | |
| 102 | R | B | -0.9199 | |
| 103 | P | B | 0.0000 | |
| 104 | K | B | -1.3583 | |
| 105 | A | B | -0.7535 | |
| 106 | M | B | 0.0000 | |
| 107 | R | B | -1.2481 | |
| 108 | V | B | 0.0000 | |
| 109 | K | B | -1.5458 | |
| 110 | I | B | 0.0000 | |
| 111 | F | B | 0.0000 | |
| 112 | N | B | -1.2107 | |
| 113 | I | B | 0.0000 | |
| 114 | Q | B | -0.9313 | |
| 115 | V | B | 0.0000 | |
| 116 | K | B | -0.5924 | |
| 117 | E | B | -0.2005 | |
| 118 | V | B | 0.3401 | |
| 119 | T | B | -0.1438 | |
| 120 | T | B | -1.0111 | |
| 121 | S | B | -1.6598 | |
| 122 | N | B | -2.1950 | |
| 123 | G | B | -2.0811 | |
| 124 | E | B | -2.5887 | |
| 125 | T | B | -1.0348 | |
| 126 | T | B | -0.0946 | |
| 127 | V | B | 0.7403 | |
| 128 | A | B | -0.1407 | |
| 129 | N | B | -1.1499 | |
| 130 | N | B | -0.6458 | |
| 131 | L | B | 0.3067 | |
| 132 | T | B | 0.0014 | |
| 133 | S | B | 0.0000 | |
| 134 | T | B | -0.5630 | |
| 135 | V | B | 0.0000 | |
| 136 | Q | B | -0.5243 | |
| 137 | I | B | 0.0000 | |
| 138 | F | B | 0.0000 | |
| 139 | A | B | -0.3685 | |
| 140 | D | B | 0.0000 | |
| 141 | S | B | -0.4000 | |
| 142 | S | B | -0.6320 | |
| 143 | Y | B | -0.4986 | |
| 144 | E | B | -0.5791 | |
| 145 | L | B | 0.0000 | |
| 146 | P | B | 0.0000 | |
| 147 | Y | B | 0.0000 | |
| 148 | V | B | 0.0000 | |
| 149 | M | B | 0.0000 | |
| 150 | D | B | 0.0000 | |
| 151 | A | B | -0.1651 | |
| 152 | G | B | 0.0000 | |
| 153 | Q | B | 0.0000 | |
| 154 | E | B | -1.2841 | |
| 155 | G | B | -0.5103 | |
| 156 | S | B | -0.3324 | |
| 157 | L | B | 0.0000 | |
| 158 | P | B | -0.3291 | |
| 159 | P | B | -0.4417 | |
| 160 | F | B | -0.5653 | |
| 161 | P | B | -0.7625 | |
| 162 | N | B | -1.6436 | |
| 163 | D | B | -1.6718 | |
| 164 | V | B | 0.8137 | |
| 165 | F | B | 0.0000 | |
| 166 | M | B | 1.4914 | |
| 167 | V | B | 0.0000 | |
| 168 | P | B | 0.0000 | |
| 169 | Q | B | 0.0939 | |
| 170 | Y | B | 0.0000 | |
| 171 | G | B | 0.0000 | |
| 172 | Y | B | 0.0000 | |
| 173 | C | B | 0.0000 | |
| 174 | G | B | 0.0000 | |
| 175 | L | B | -0.3447 | |
| 176 | V | B | 0.0000 | |
| 177 | T | B | -0.8219 | |
| 178 | G | B | -0.8815 | |
| 179 | N | B | -1.0898 | |
| 180 | T | B | -1.0996 | |
| 181 | S | B | -1.1971 | |
| 182 | Q | B | -1.5268 | |
| 183 | Q | B | -1.8082 | |
| 184 | Q | B | -1.6727 | |
| 185 | T | B | -1.5314 | |
| 186 | D | B | -2.0866 | |
| 187 | R | B | -1.2392 | |
| 188 | N | B | 0.0000 | |
| 189 | A | B | -0.1806 | |
| 190 | F | B | 0.5384 | |
| 191 | Y | B | 0.0000 | |
| 192 | C | B | 0.4866 | |
| 193 | L | B | 0.0000 | |
| 194 | E | B | -0.5570 | |
| 195 | Y | B | 0.8637 | |
| 196 | F | B | 0.0000 | |
| 197 | P | B | -0.3767 | |
| 198 | S | B | -0.6056 | |
| 199 | Q | B | -1.0524 | |
| 200 | M | B | -0.3747 | |
| 201 | L | B | 0.0000 | |
| 202 | R | B | -1.5573 | |
| 203 | T | B | -1.1958 | |
| 204 | G | B | -1.1717 | |
| 205 | N | B | -1.7474 | |
| 206 | N | B | -1.8903 | |
| 207 | F | B | 0.0000 | |
| 208 | E | B | -2.1548 | |
| 209 | I | B | -0.9337 | |
| 210 | T | B | -0.6955 | |
| 211 | Y | B | -0.2911 | |
| 212 | S | B | -0.8572 | |
| 213 | F | B | 0.0000 | |
| 214 | E | B | -1.8366 | |
| 215 | K | B | -2.0617 | |
| 216 | V | B | 0.0000 | |
| 217 | P | B | -0.5592 | |
| 218 | F | B | -0.1717 | |
| 219 | H | B | 0.0000 | |
| 220 | S | B | 0.0000 | |
| 221 | M | B | 0.0000 | |
| 222 | Y | B | 0.0000 | |
| 223 | A | B | 0.0000 | |
| 224 | H | B | 0.0000 | |
| 225 | S | B | 0.0000 | |
| 226 | Q | B | 0.0000 | |
| 227 | S | B | 0.0000 | |
| 228 | L | B | 0.0000 | |
| 229 | D | B | 0.0000 | |
| 230 | R | B | 0.0000 | |
| 231 | L | B | 0.2372 | |
| 232 | M | B | 0.0000 | |
| 233 | N | B | 0.0000 | |
| 234 | P | B | 0.0000 | |
| 235 | L | B | 0.3305 | |
| 236 | I | B | -0.2589 | |
| 237 | D | B | -0.9957 | |
| 238 | Q | B | 0.0000 | |
| 239 | Y | B | 0.0000 | |
| 240 | L | B | 0.0000 | |
| 241 | W | B | 0.0000 | |
| 242 | G | B | 0.0000 | |
| 243 | L | B | 0.0000 | |
| 244 | Q | B | -0.3691 | |
| 245 | S | B | 0.0000 | |
| 246 | T | B | 0.0000 | |
| 247 | T | B | 0.0000 | |
| 248 | T | B | -0.5389 | |
| 249 | G | B | -0.7199 | |
| 250 | T | B | -0.7365 | |
| 251 | T | B | -0.7382 | |
| 252 | L | B | -0.7250 | |
| 253 | N | B | -1.5128 | |
| 254 | A | B | -0.9472 | |
| 255 | G | B | -0.9334 | |
| 256 | T | B | -0.7484 | |
| 257 | A | B | -1.0838 | |
| 258 | T | B | -0.3810 | |
| 259 | T | B | 0.0000 | |
| 260 | N | B | -0.0945 | |
| 261 | F | B | 0.0000 | |
| 262 | T | B | -0.8413 | |
| 263 | K | B | -1.1387 | |
| 264 | L | B | 0.0000 | |
| 265 | R | B | -1.6467 | |
| 266 | P | B | -0.7695 | |
| 267 | T | B | -0.6241 | |
| 268 | N | B | -0.7747 | |
| 269 | F | B | 0.0000 | |
| 270 | S | B | 0.0000 | |
| 271 | N | B | -0.4718 | |
| 272 | F | B | 0.0000 | |
| 273 | K | B | 0.0000 | |
| 274 | K | B | -0.1852 | |
| 275 | N | B | 0.0000 | |
| 276 | W | B | 0.0000 | |
| 277 | L | B | 0.0000 | |
| 278 | P | B | 0.0000 | |
| 279 | G | B | 0.0000 | |
| 280 | P | B | 0.0000 | |
| 281 | S | B | 0.0000 | |
| 282 | I | B | 0.0000 | |
| 283 | K | B | 0.0000 | |
| 284 | Q | B | 0.0000 | |
| 285 | Q | B | 0.0000 | |
| 286 | G | B | -0.9321 | |
| 287 | F | B | 0.0000 | |
| 288 | S | B | -1.4973 | |
| 289 | K | B | -1.0351 | |
| 290 | T | B | -0.8315 | |
| 291 | A | B | -1.0382 | |
| 292 | N | B | -2.1319 | |
| 293 | Q | B | -2.3735 | |
| 294 | N | B | 0.0000 | |
| 295 | Y | B | -1.5129 | |
| 296 | K | B | -1.6141 | |
| 297 | I | B | 0.0000 | |
| 298 | P | B | 0.0000 | |
| 299 | A | B | -0.3888 | |
| 300 | T | B | -0.5025 | |
| 301 | G | B | -0.7568 | |
| 302 | S | B | -0.6649 | |
| 303 | D | B | -0.8603 | |
| 304 | S | B | -0.5051 | |
| 305 | L | B | 0.0000 | |
| 306 | I | B | -0.0689 | |
| 307 | K | B | -0.3164 | |
| 308 | Y | B | 0.0000 | |
| 309 | E | B | 0.0000 | |
| 310 | T | B | 0.0000 | |
| 311 | H | B | 0.0000 | |
| 312 | S | B | 0.0000 | |
| 313 | T | B | 0.0000 | |
| 314 | L | B | 0.0000 | |
| 315 | D | B | -0.8215 | |
| 316 | G | B | -0.6834 | |
| 317 | R | B | 0.0000 | |
| 318 | W | B | -0.1164 | |
| 319 | S | B | -0.0103 | |
| 320 | A | B | 0.0000 | |
| 321 | L | B | 0.0000 | |
| 322 | T | B | 0.0000 | |
| 323 | P | B | 0.0000 | |
| 324 | G | B | 0.0000 | |
| 325 | P | B | 0.0000 | |
| 326 | P | B | 0.0000 | |
| 327 | M | B | 0.0000 | |
| 328 | A | B | 0.0000 | |
| 329 | T | B | 0.0000 | |
| 330 | A | B | -1.3173 | |
| 331 | G | B | -1.4072 | |
| 332 | P | B | -1.0855 | |
| 333 | A | B | -1.0729 | |
| 334 | D | B | -2.0686 | |
| 335 | S | B | -1.7556 | |
| 336 | K | B | -2.0139 | |
| 337 | F | B | 0.0000 | |
| 338 | S | B | 0.0000 | |
| 339 | N | B | -0.1616 | |
| 340 | S | B | 0.0000 | |
| 341 | Q | B | 0.0000 | |
| 342 | L | B | 0.0000 | |
| 343 | I | B | 0.0000 | |
| 344 | F | B | 0.0000 | |
| 345 | A | B | -0.8977 | |
| 346 | G | B | -1.0549 | |
| 347 | P | B | -1.4680 | |
| 348 | K | B | -2.3283 | |
| 349 | Q | B | -1.8089 | |
| 350 | N | B | -2.3345 | |
| 351 | G | B | -1.9765 | |
| 352 | N | B | -2.1719 | |
| 353 | T | B | -1.0239 | |
| 354 | A | B | 0.0000 | |
| 355 | T | B | 0.5954 | |
| 356 | V | B | 1.4623 | |
| 357 | P | B | 0.4705 | |
| 358 | G | B | -0.1631 | |
| 359 | T | B | -0.5329 | |
| 360 | L | B | 0.0000 | |
| 361 | I | B | -0.1380 | |
| 362 | F | B | 0.0000 | |
| 363 | T | B | 0.0000 | |
| 364 | S | B | -0.8327 | |
| 365 | E | B | 0.0000 | |
| 366 | E | B | -1.9058 | |
| 367 | E | B | -1.1388 | |
| 368 | L | B | 0.0000 | |
| 369 | A | B | -0.7488 | |
| 370 | A | B | 0.0000 | |
| 371 | T | B | 0.0000 | |
| 372 | N | B | 0.0000 | |
| 373 | A | B | 0.0000 | |
| 374 | T | B | -0.5217 | |
| 375 | D | B | 0.0000 | |
| 376 | T | B | 0.0000 | |
| 377 | D | B | -0.9306 | |
| 378 | M | B | -0.3300 | |
| 379 | W | B | 0.0000 | |
| 380 | G | B | 0.0000 | |
| 381 | N | B | 0.0000 | |
| 382 | L | B | 0.0000 | |
| 383 | P | B | 0.0000 | |
| 384 | G | B | -0.8957 | |
| 385 | G | B | -1.0730 | |
| 386 | D | B | -1.7648 | |
| 387 | Q | B | 0.0000 | |
| 388 | S | B | -1.8303 | |
| 389 | N | B | -2.4227 | |
| 390 | S | B | -1.6025 | |
| 391 | N | B | -1.5738 | |
| 392 | L | B | -0.6312 | |
| 393 | P | B | 0.0000 | |
| 394 | T | B | -0.4290 | |
| 395 | V | B | -0.3208 | |
| 396 | D | B | -1.2967 | |
| 397 | R | B | -1.1965 | |
| 398 | L | B | 0.0000 | |
| 399 | T | B | -0.5532 | |
| 400 | A | B | -0.1188 | |
| 401 | L | B | 0.0000 | |
| 402 | G | B | 0.0000 | |
| 403 | A | B | 0.0000 | |
| 404 | V | B | 0.0000 | |
| 405 | P | B | 0.0000 | |
| 406 | G | B | 0.0000 | |
| 407 | M | B | 0.0000 | |
| 408 | V | B | 0.0000 | |
| 409 | W | B | 0.0000 | |
| 410 | Q | B | 0.0000 | |
| 411 | N | B | -0.3676 | |
| 412 | R | B | 0.0000 | |
| 413 | D | B | 0.0000 | |
| 414 | I | B | 0.0000 | |
| 415 | Y | B | 0.0000 | |
| 416 | Y | B | 0.0000 | |
| 417 | Q | B | 0.0000 | |
| 418 | G | B | 0.0000 | |
| 419 | P | B | 0.0000 | |
| 420 | I | B | 0.0000 | |
| 421 | W | B | 0.0000 | |
| 422 | A | B | 0.0000 | |
| 423 | K | B | -0.9763 | |
| 424 | I | B | 0.0000 | |
| 425 | P | B | 0.0000 | |
| 426 | H | B | -0.9769 | |
| 427 | T | B | -0.6228 | |
| 428 | D | B | -0.7278 | |
| 429 | G | B | 0.0000 | |
| 430 | H | B | -0.9103 | |
| 431 | F | B | 0.0000 | |
| 432 | H | B | -0.5540 | |
| 433 | P | B | -0.5786 | |
| 434 | S | B | -0.3609 | |
| 435 | P | B | 0.0000 | |
| 436 | L | B | 0.0000 | |
| 437 | I | B | 0.0000 | |
| 438 | G | B | 0.0000 | |
| 439 | G | B | -0.1420 | |
| 440 | F | B | 0.0000 | |
| 441 | G | B | -0.7441 | |
| 442 | L | B | 0.0000 | |
| 443 | K | B | -2.3715 | |
| 444 | H | B | -1.9868 | |
| 445 | P | B | 0.0000 | |
| 446 | P | B | 0.0000 | |
| 447 | P | B | 0.0000 | |
| 448 | Q | B | 0.0000 | |
| 449 | I | B | 0.0000 | |
| 450 | F | B | 0.0000 | |
| 451 | I | B | 0.0000 | |
| 452 | K | B | 0.0000 | |
| 453 | N | B | 0.0000 | |
| 454 | T | B | 0.1327 | |
| 455 | P | B | 0.0199 | |
| 456 | V | B | 0.3235 | |
| 457 | P | B | -0.0143 | |
| 458 | A | B | -0.3744 | |
| 459 | N | B | -1.2813 | |
| 460 | P | B | -0.5685 | |
| 461 | A | B | 0.1106 | |
| 462 | T | B | 0.1410 | |
| 463 | T | B | 0.7695 | |
| 464 | F | B | 1.7083 | |
| 465 | S | B | 0.7129 | |
| 466 | S | B | 0.2253 | |
| 467 | T | B | 0.0617 | |
| 468 | P | B | -0.0364 | |
| 469 | V | B | 0.5429 | |
| 470 | N | B | -0.7394 | |
| 471 | S | B | -0.5727 | |
| 472 | F | B | 0.0453 | |
| 473 | I | B | 0.5347 | |
| 474 | T | B | 0.2205 | |
| 475 | Q | B | 0.0000 | |
| 476 | Y | B | 0.3075 | |
| 477 | S | B | 0.0000 | |
| 478 | T | B | 0.1734 | |
| 479 | G | B | 0.0000 | |
| 480 | Q | B | -0.3759 | |
| 481 | V | B | 0.0000 | |
| 482 | S | B | -0.9088 | |
| 483 | V | B | 0.0000 | |
| 484 | Q | B | -0.9618 | |
| 485 | I | B | 0.0000 | |
| 486 | D | B | 0.0000 | |
| 487 | W | B | 0.0000 | |
| 488 | E | B | -1.2010 | |
| 489 | I | B | 0.0000 | |
| 490 | Q | B | -1.6541 | |
| 491 | K | B | -2.0696 | |
| 492 | E | B | -1.9187 | |
| 493 | R | B | -2.5009 | |
| 494 | S | B | -1.3151 | |
| 495 | K | B | -0.6330 | |
| 496 | R | B | -0.1860 | |
| 497 | W | B | 0.8910 | |
| 498 | N | B | -0.1872 | |
| 499 | P | B | -0.5880 | |
| 500 | E | B | -0.7947 | |
| 501 | V | B | -0.6310 | |
| 502 | Q | B | -0.6581 | |
| 503 | F | B | 0.0000 | |
| 504 | T | B | -0.8076 | |
| 505 | S | B | -0.8615 | |
| 506 | N | B | -1.5085 | |
| 507 | Y | B | -0.7374 | |
| 508 | G | B | -1.3417 | |
| 509 | Q | B | -1.9380 | |
| 510 | Q | B | -1.5507 | |
| 511 | N | B | -1.6468 | |
| 512 | S | B | -0.5120 | |
| 513 | L | B | 0.8293 | |
| 514 | L | B | 0.6581 | |
| 515 | W | B | 0.2907 | |
| 516 | A | B | 0.1510 | |
| 517 | P | B | -0.7495 | |
| 518 | D | B | -1.1809 | |
| 519 | A | B | -0.7476 | |
| 520 | A | B | -0.8846 | |
| 521 | G | B | -1.4800 | |
| 522 | K | B | -2.2325 | |
| 523 | Y | B | -1.2138 | |
| 524 | T | B | -0.8334 | |
| 525 | E | B | -0.4628 | |
| 526 | P | B | -0.5202 | |
| 527 | R | B | -0.6305 | |
| 528 | A | B | 0.0000 | |
| 529 | I | B | 0.0000 | |
| 530 | G | B | -0.0937 | |
| 531 | T | B | 0.0000 | |
| 532 | R | B | 0.0000 | |
| 533 | Y | B | -0.3657 | |
| 534 | L | B | 0.0000 | |
| 535 | T | B | 0.0000 | |
| 536 | H | B | -0.5519 | |
| 537 | H | B | 0.0000 | |
| 538 | L | B | 0.0000 | |
| 18 | G | C | -0.5390 | |
| 19 | V | C | 0.6462 | |
| 20 | G | C | -0.3948 | |
| 21 | N | C | -1.2755 | |
| 22 | A | C | -1.1376 | |
| 23 | S | C | -1.2605 | |
| 24 | G | C | -1.5313 | |
| 25 | D | C | -1.7847 | |
| 26 | W | C | -0.8255 | |
| 27 | H | C | -1.4580 | |
| 28 | C | C | -1.1073 | |
| 29 | D | C | -1.9115 | |
| 30 | S | C | -1.0563 | |
| 31 | T | C | -0.5329 | |
| 32 | W | C | -0.6093 | |
| 33 | S | C | -1.1980 | |
| 34 | E | C | -2.4740 | |
| 35 | G | C | -1.8676 | |
| 36 | H | C | -1.5152 | |
| 37 | V | C | 0.0000 | |
| 38 | T | C | -0.6503 | |
| 39 | T | C | 0.0000 | |
| 40 | T | C | -0.9547 | |
| 41 | S | C | 0.0000 | |
| 42 | T | C | 0.0000 | |
| 43 | R | C | 0.0000 | |
| 44 | T | C | 0.2080 | |
| 45 | W | C | 0.0000 | |
| 46 | V | C | 0.9524 | |
| 47 | L | C | 0.0000 | |
| 48 | P | C | 0.1167 | |
| 49 | T | C | -0.2331 | |
| 50 | Y | C | -0.1699 | |
| 51 | N | C | -0.6493 | |
| 52 | N | C | -1.1808 | |
| 53 | H | C | -0.3942 | |
| 54 | L | C | 0.3444 | |
| 55 | Y | C | -0.0988 | |
| 56 | K | C | -1.1893 | |
| 57 | R | C | -1.2174 | |
| 58 | L | C | -0.5983 | |
| 59 | G | C | -1.0426 | |
| 60 | E | C | -1.2821 | |
| 61 | S | C | -1.1569 | |
| 62 | L | C | -0.7240 | |
| 63 | Q | C | -1.4336 | |
| 64 | S | C | 0.0000 | |
| 65 | N | C | -0.8412 | |
| 66 | T | C | 0.0000 | |
| 67 | Y | C | 0.0000 | |
| 68 | N | C | 0.0000 | |
| 69 | G | C | 0.0000 | |
| 70 | F | C | -0.2712 | |
| 71 | S | C | 0.0000 | |
| 72 | T | C | 0.0000 | |
| 73 | P | C | 0.0000 | |
| 74 | W | C | 0.0000 | |
| 75 | G | C | 0.0000 | |
| 76 | Y | C | 0.0000 | |
| 77 | F | C | 0.0000 | |
| 78 | D | C | 0.0000 | |
| 79 | F | C | 0.0000 | |
| 80 | N | C | 0.0000 | |
| 81 | R | C | -0.3397 | |
| 82 | F | C | 0.0000 | |
| 83 | H | C | 0.0000 | |
| 84 | C | C | 0.0000 | |
| 85 | H | C | 0.0000 | |
| 86 | F | C | 0.0000 | |
| 87 | S | C | -1.1485 | |
| 88 | P | C | -1.2778 | |
| 89 | R | C | -2.3681 | |
| 90 | D | C | -1.8275 | |
| 91 | W | C | 0.0000 | |
| 92 | Q | C | -1.8472 | |
| 93 | R | C | -2.1547 | |
| 94 | L | C | 0.0000 | |
| 95 | I | C | 0.0000 | |
| 96 | N | C | -1.4819 | |
| 97 | N | C | -2.4461 | |
| 98 | N | C | 0.0000 | |
| 99 | W | C | -1.2083 | |
| 100 | G | C | 0.0000 | |
| 101 | M | C | 0.0000 | |
| 102 | R | C | -0.9579 | |
| 103 | P | C | 0.0000 | |
| 104 | K | C | -1.4249 | |
| 105 | A | C | -0.8182 | |
| 106 | M | C | 0.0000 | |
| 107 | R | C | -1.2772 | |
| 108 | V | C | 0.0000 | |
| 109 | K | C | -1.5713 | |
| 110 | I | C | 0.0000 | |
| 111 | F | C | 0.0000 | |
| 112 | N | C | -1.2450 | |
| 113 | I | C | 0.0000 | |
| 114 | Q | C | -0.9403 | |
| 115 | V | C | 0.0000 | |
| 116 | K | C | -0.6149 | |
| 117 | E | C | -0.2296 | |
| 118 | V | C | 0.3187 | |
| 119 | T | C | -0.1544 | |
| 120 | T | C | -1.0115 | |
| 121 | S | C | -1.6581 | |
| 122 | N | C | -2.1958 | |
| 123 | G | C | -2.0807 | |
| 124 | E | C | -2.5895 | |
| 125 | T | C | -1.0430 | |
| 126 | T | C | -0.1140 | |
| 127 | V | C | 0.7026 | |
| 128 | A | C | -0.1625 | |
| 129 | N | C | -1.1610 | |
| 130 | N | C | -0.6486 | |
| 131 | L | C | 0.3202 | |
| 132 | T | C | 0.0117 | |
| 133 | S | C | 0.0000 | |
| 134 | T | C | -0.6141 | |
| 135 | V | C | 0.0000 | |
| 136 | Q | C | -0.5785 | |
| 137 | I | C | 0.0000 | |
| 138 | F | C | 0.0000 | |
| 139 | A | C | -0.3390 | |
| 140 | D | C | 0.0000 | |
| 141 | S | C | -0.4281 | |
| 142 | S | C | -0.4378 | |
| 143 | Y | C | -0.5304 | |
| 144 | E | C | -0.6904 | |
| 145 | L | C | 0.0000 | |
| 146 | P | C | 0.0000 | |
| 147 | Y | C | 0.0000 | |
| 148 | V | C | 0.0000 | |
| 149 | M | C | 0.0000 | |
| 150 | D | C | 0.0000 | |
| 151 | A | C | -0.1291 | |
| 152 | G | C | 0.0000 | |
| 153 | Q | C | 0.0000 | |
| 154 | E | C | -1.1144 | |
| 155 | G | C | -0.4635 | |
| 156 | S | C | -0.3220 | |
| 157 | L | C | 0.0000 | |
| 158 | P | C | -0.3219 | |
| 159 | P | C | -0.4430 | |
| 160 | F | C | -0.5636 | |
| 161 | P | C | -0.7594 | |
| 162 | N | C | -1.6259 | |
| 163 | D | C | -1.6337 | |
| 164 | V | C | 0.8514 | |
| 165 | F | C | 0.0000 | |
| 166 | M | C | 1.3251 | |
| 167 | V | C | 0.0000 | |
| 168 | P | C | 0.0000 | |
| 169 | Q | C | 0.0899 | |
| 170 | Y | C | 0.0000 | |
| 171 | G | C | 0.0000 | |
| 172 | Y | C | 0.0000 | |
| 173 | C | C | 0.0000 | |
| 174 | G | C | 0.0000 | |
| 175 | L | C | 0.0000 | |
| 176 | V | C | 0.0000 | |
| 177 | T | C | -0.8245 | |
| 178 | G | C | -0.8861 | |
| 179 | N | C | -1.0830 | |
| 180 | T | C | -1.1015 | |
| 181 | S | C | -1.1851 | |
| 182 | Q | C | -1.5231 | |
| 183 | Q | C | -1.7728 | |
| 184 | Q | C | -1.5882 | |
| 185 | T | C | -1.4996 | |
| 186 | D | C | -2.0449 | |
| 187 | R | C | -1.2236 | |
| 188 | N | C | 0.0000 | |
| 189 | A | C | -0.3258 | |
| 190 | F | C | 0.2808 | |
| 191 | Y | C | 0.0000 | |
| 192 | C | C | 0.3467 | |
| 193 | L | C | 0.0000 | |
| 194 | E | C | -0.5499 | |
| 195 | Y | C | 0.7621 | |
| 196 | F | C | 0.0000 | |
| 197 | P | C | -0.3829 | |
| 198 | S | C | -0.6247 | |
| 199 | Q | C | -1.0961 | |
| 200 | M | C | -0.5853 | |
| 201 | L | C | 0.0000 | |
| 202 | R | C | -1.6293 | |
| 203 | T | C | -1.2282 | |
| 204 | G | C | -1.2201 | |
| 205 | N | C | -1.8377 | |
| 206 | N | C | -2.0870 | |
| 207 | F | C | -1.5279 | |
| 208 | E | C | -2.1318 | |
| 209 | I | C | -0.8732 | |
| 210 | T | C | -0.6960 | |
| 211 | Y | C | -0.2863 | |
| 212 | S | C | -0.8769 | |
| 213 | F | C | 0.0000 | |
| 214 | E | C | -1.8316 | |
| 215 | K | C | -2.0659 | |
| 216 | V | C | 0.0000 | |
| 217 | P | C | -0.5776 | |
| 218 | F | C | -0.1972 | |
| 219 | H | C | 0.0000 | |
| 220 | S | C | 0.0000 | |
| 221 | M | C | 0.0000 | |
| 222 | Y | C | 0.0000 | |
| 223 | A | C | 0.0000 | |
| 224 | H | C | 0.0000 | |
| 225 | S | C | 0.0000 | |
| 226 | Q | C | 0.0000 | |
| 227 | S | C | 0.0000 | |
| 228 | L | C | 0.0000 | |
| 229 | D | C | 0.0000 | |
| 230 | R | C | 0.0000 | |
| 231 | L | C | 0.2318 | |
| 232 | M | C | 0.0000 | |
| 233 | N | C | 0.0000 | |
| 234 | P | C | 0.0000 | |
| 235 | L | C | 0.2375 | |
| 236 | I | C | -0.5203 | |
| 237 | D | C | -1.4715 | |
| 238 | Q | C | 0.0000 | |
| 239 | Y | C | 0.0000 | |
| 240 | L | C | 0.0000 | |
| 241 | W | C | 0.0000 | |
| 242 | G | C | 0.0000 | |
| 243 | L | C | 0.0000 | |
| 244 | Q | C | -0.3718 | |
| 245 | S | C | 0.0000 | |
| 246 | T | C | 0.0000 | |
| 247 | T | C | 0.0000 | |
| 248 | T | C | -0.5488 | |
| 249 | G | C | -0.7393 | |
| 250 | T | C | -0.7416 | |
| 251 | T | C | -0.7043 | |
| 252 | L | C | -0.6307 | |
| 253 | N | C | -1.2613 | |
| 254 | A | C | -0.8373 | |
| 255 | G | C | -0.9053 | |
| 256 | T | C | -0.7287 | |
| 257 | A | C | -1.0578 | |
| 258 | T | C | -0.3779 | |
| 259 | T | C | 0.0000 | |
| 260 | N | C | -0.0881 | |
| 261 | F | C | 0.0000 | |
| 262 | T | C | -0.8768 | |
| 263 | K | C | -1.3032 | |
| 264 | L | C | 0.0000 | |
| 265 | R | C | -2.2024 | |
| 266 | P | C | -0.9924 | |
| 267 | T | C | -0.7164 | |
| 268 | N | C | -0.8842 | |
| 269 | F | C | 0.0000 | |
| 270 | S | C | 0.0000 | |
| 271 | N | C | -0.5023 | |
| 272 | F | C | 0.0000 | |
| 273 | K | C | 0.0000 | |
| 274 | K | C | -0.1890 | |
| 275 | N | C | 0.0000 | |
| 276 | W | C | 0.0000 | |
| 277 | L | C | 0.0000 | |
| 278 | P | C | 0.0000 | |
| 279 | G | C | 0.0000 | |
| 280 | P | C | 0.0000 | |
| 281 | S | C | 0.0000 | |
| 282 | I | C | 0.0000 | |
| 283 | K | C | 0.0000 | |
| 284 | Q | C | 0.0000 | |
| 285 | Q | C | 0.0000 | |
| 286 | G | C | 0.0000 | |
| 287 | F | C | 0.0000 | |
| 288 | S | C | -1.2987 | |
| 289 | K | C | -0.9112 | |
| 290 | T | C | -0.7640 | |
| 291 | A | C | -1.0283 | |
| 292 | N | C | -2.1419 | |
| 293 | Q | C | -2.3183 | |
| 294 | N | C | 0.0000 | |
| 295 | Y | C | -1.4491 | |
| 296 | K | C | -1.5162 | |
| 297 | I | C | 0.0000 | |
| 298 | P | C | 0.0000 | |
| 299 | A | C | -0.3803 | |
| 300 | T | C | -0.4967 | |
| 301 | G | C | -0.7473 | |
| 302 | S | C | -0.6549 | |
| 303 | D | C | -0.8444 | |
| 304 | S | C | -0.4916 | |
| 305 | L | C | 0.0000 | |
| 306 | I | C | -0.0526 | |
| 307 | K | C | -0.3218 | |
| 308 | Y | C | 0.0000 | |
| 309 | E | C | 0.0000 | |
| 310 | T | C | 0.0000 | |
| 311 | H | C | 0.0000 | |
| 312 | S | C | 0.0000 | |
| 313 | T | C | 0.0000 | |
| 314 | L | C | 0.0000 | |
| 315 | D | C | -0.7954 | |
| 316 | G | C | -0.6736 | |
| 317 | R | C | 0.0000 | |
| 318 | W | C | -0.1091 | |
| 319 | S | C | -0.0083 | |
| 320 | A | C | 0.0000 | |
| 321 | L | C | 0.0000 | |
| 322 | T | C | 0.0000 | |
| 323 | P | C | 0.0000 | |
| 324 | G | C | 0.0000 | |
| 325 | P | C | 0.0000 | |
| 326 | P | C | 0.0000 | |
| 327 | M | C | 0.0000 | |
| 328 | A | C | 0.0000 | |
| 329 | T | C | 0.0000 | |
| 330 | A | C | -1.1249 | |
| 331 | G | C | -1.2596 | |
| 332 | P | C | -0.9754 | |
| 333 | A | C | -0.9935 | |
| 334 | D | C | -1.9045 | |
| 335 | S | C | -1.5158 | |
| 336 | K | C | -1.5305 | |
| 337 | F | C | 0.0000 | |
| 338 | S | C | 0.0000 | |
| 339 | N | C | -0.1504 | |
| 340 | S | C | 0.0000 | |
| 341 | Q | C | 0.0000 | |
| 342 | L | C | 0.0000 | |
| 343 | I | C | 0.0000 | |
| 344 | F | C | 0.0000 | |
| 345 | A | C | -0.8586 | |
| 346 | G | C | -1.0521 | |
| 347 | P | C | -1.4571 | |
| 348 | K | C | -2.3229 | |
| 349 | Q | C | -1.7581 | |
| 350 | N | C | -2.2655 | |
| 351 | G | C | -1.8298 | |
| 352 | N | C | -1.8033 | |
| 353 | T | C | -0.8820 | |
| 354 | A | C | 0.0000 | |
| 355 | T | C | 0.5893 | |
| 356 | V | C | 1.4586 | |
| 357 | P | C | 0.4700 | |
| 358 | G | C | -0.1646 | |
| 359 | T | C | -0.5342 | |
| 360 | L | C | 0.0000 | |
| 361 | I | C | -0.1361 | |
| 362 | F | C | 0.0000 | |
| 363 | T | C | 0.0000 | |
| 364 | S | C | -0.7597 | |
| 365 | E | C | 0.0000 | |
| 366 | E | C | -1.6925 | |
| 367 | E | C | -1.0328 | |
| 368 | L | C | 0.0000 | |
| 369 | A | C | -0.6680 | |
| 370 | A | C | 0.0000 | |
| 371 | T | C | 0.0000 | |
| 372 | N | C | 0.0000 | |
| 373 | A | C | 0.0000 | |
| 374 | T | C | -0.4942 | |
| 375 | D | C | 0.0000 | |
| 376 | T | C | -0.6335 | |
| 377 | D | C | -0.9682 | |
| 378 | M | C | -0.4956 | |
| 379 | W | C | 0.0000 | |
| 380 | G | C | 0.0000 | |
| 381 | N | C | 0.0000 | |
| 382 | L | C | 0.0000 | |
| 383 | P | C | 0.0000 | |
| 384 | G | C | -0.9629 | |
| 385 | G | C | -1.0836 | |
| 386 | D | C | -1.7315 | |
| 387 | Q | C | 0.0000 | |
| 388 | S | C | -1.8262 | |
| 389 | N | C | -2.3959 | |
| 390 | S | C | -1.5799 | |
| 391 | N | C | -1.5753 | |
| 392 | L | C | -0.5915 | |
| 393 | P | C | 0.0000 | |
| 394 | T | C | -0.4431 | |
| 395 | V | C | -0.5006 | |
| 396 | D | C | -1.6929 | |
| 397 | R | C | -1.9186 | |
| 398 | L | C | 0.0000 | |
| 399 | T | C | -0.7557 | |
| 400 | A | C | -0.2110 | |
| 401 | L | C | 0.0000 | |
| 402 | G | C | 0.0000 | |
| 403 | A | C | 0.0000 | |
| 404 | V | C | 0.0000 | |
| 405 | P | C | 0.0000 | |
| 406 | G | C | 0.0000 | |
| 407 | M | C | 0.0000 | |
| 408 | V | C | 0.0000 | |
| 409 | W | C | 0.0000 | |
| 410 | Q | C | 0.0000 | |
| 411 | N | C | -0.3619 | |
| 412 | R | C | 0.0000 | |
| 413 | D | C | 0.0000 | |
| 414 | I | C | 0.0000 | |
| 415 | Y | C | 0.0000 | |
| 416 | Y | C | 0.0000 | |
| 417 | Q | C | 0.0000 | |
| 418 | G | C | 0.0000 | |
| 419 | P | C | 0.0000 | |
| 420 | I | C | 0.0000 | |
| 421 | W | C | 0.0000 | |
| 422 | A | C | 0.0000 | |
| 423 | K | C | -0.8719 | |
| 424 | I | C | -0.8904 | |
| 425 | P | C | 0.0000 | |
| 426 | H | C | -0.8877 | |
| 427 | T | C | -0.5937 | |
| 428 | D | C | -0.7550 | |
| 429 | G | C | 0.0000 | |
| 430 | H | C | -0.8988 | |
| 431 | F | C | 0.0000 | |
| 432 | H | C | -0.5552 | |
| 433 | P | C | -0.5345 | |
| 434 | S | C | -0.3309 | |
| 435 | P | C | 0.0000 | |
| 436 | L | C | 0.0000 | |
| 437 | I | C | 0.0000 | |
| 438 | G | C | 0.0000 | |
| 439 | G | C | -0.1423 | |
| 440 | F | C | 0.0000 | |
| 441 | G | C | -0.6765 | |
| 442 | L | C | 0.0000 | |
| 443 | K | C | -2.2889 | |
| 444 | H | C | -1.9500 | |
| 445 | P | C | 0.0000 | |
| 446 | P | C | 0.0000 | |
| 447 | P | C | 0.0000 | |
| 448 | Q | C | 0.0000 | |
| 449 | I | C | 0.0000 | |
| 450 | F | C | 0.0000 | |
| 451 | I | C | 0.0000 | |
| 452 | K | C | 0.0000 | |
| 453 | N | C | 0.0000 | |
| 454 | T | C | 0.0935 | |
| 455 | P | C | 0.0339 | |
| 456 | V | C | 0.3407 | |
| 457 | P | C | 0.0112 | |
| 458 | A | C | -0.3499 | |
| 459 | N | C | -1.2708 | |
| 460 | P | C | -0.5629 | |
| 461 | A | C | 0.1103 | |
| 462 | T | C | 0.1403 | |
| 463 | T | C | 0.7706 | |
| 464 | F | C | 1.7083 | |
| 465 | S | C | 0.7119 | |
| 466 | S | C | 0.2244 | |
| 467 | T | C | 0.0600 | |
| 468 | P | C | -0.0402 | |
| 469 | V | C | 0.5454 | |
| 470 | N | C | -0.7658 | |
| 471 | S | C | -0.5465 | |
| 472 | F | C | 0.1048 | |
| 473 | I | C | 0.5654 | |
| 474 | T | C | 0.2306 | |
| 475 | Q | C | 0.0000 | |
| 476 | Y | C | 0.2906 | |
| 477 | S | C | 0.0000 | |
| 478 | T | C | 0.1499 | |
| 479 | G | C | 0.0000 | |
| 480 | Q | C | -0.4009 | |
| 481 | V | C | 0.0000 | |
| 482 | S | C | -0.9246 | |
| 483 | V | C | 0.0000 | |
| 484 | Q | C | -1.0172 | |
| 485 | I | C | 0.0000 | |
| 486 | D | C | -0.8278 | |
| 487 | W | C | 0.0000 | |
| 488 | E | C | -1.3651 | |
| 489 | I | C | 0.0000 | |
| 490 | Q | C | -2.2690 | |
| 491 | K | C | -3.3447 | |
| 492 | E | C | -2.7746 | |
| 493 | R | C | -2.8436 | |
| 494 | S | C | -1.2501 | |
| 495 | K | C | -0.1890 | |
| 496 | R | C | 0.0000 | |
| 497 | W | C | 1.1420 | |
| 498 | N | C | -0.1838 | |
| 499 | P | C | -0.6264 | |
| 500 | E | C | -0.8448 | |
| 501 | V | C | -0.7571 | |
| 502 | Q | C | -0.8386 | |
| 503 | F | C | 0.0000 | |
| 504 | T | C | -0.8571 | |
| 505 | S | C | -0.8753 | |
| 506 | N | C | -1.5036 | |
| 507 | Y | C | -0.7070 | |
| 508 | G | C | -1.3170 | |
| 509 | Q | C | -1.8981 | |
| 510 | Q | C | -1.4705 | |
| 511 | N | C | -1.5916 | |
| 512 | S | C | -0.4409 | |
| 513 | L | C | 0.8742 | |
| 514 | L | C | 0.6885 | |
| 515 | W | C | 0.2887 | |
| 516 | A | C | 0.1595 | |
| 517 | P | C | -0.7353 | |
| 518 | D | C | -1.1426 | |
| 519 | A | C | -0.7282 | |
| 520 | A | C | -0.8780 | |
| 521 | G | C | -1.4722 | |
| 522 | K | C | -2.2239 | |
| 523 | Y | C | -1.2109 | |
| 524 | T | C | -0.8279 | |
| 525 | E | C | -0.4634 | |
| 526 | P | C | -0.5190 | |
| 527 | R | C | -0.6361 | |
| 528 | A | C | 0.0000 | |
| 529 | I | C | 0.0000 | |
| 530 | G | C | -0.0958 | |
| 531 | T | C | 0.0000 | |
| 532 | R | C | 0.0000 | |
| 533 | Y | C | -0.4308 | |
| 534 | L | C | 0.0000 | |
| 535 | T | C | 0.0000 | |
| 536 | H | C | -0.5329 | |
| 537 | H | C | 0.0000 | |
| 538 | L | C | 0.0000 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
pH |
Average A3D Score |
Max A3D Score |
|||
| 4.0 | -0.254 | 4.0701 | View | CSV | PDB |
| 4.5 | -0.28 | 4.0657 | View | CSV | PDB |
| 5.0 | -0.3118 | 4.0586 | View | CSV | PDB |
| 5.5 | -0.3434 | 4.0507 | View | CSV | PDB |
| 6.0 | -0.3685 | 4.046 | View | CSV | PDB |
| 6.5 | -0.3827 | 4.0473 | View | CSV | PDB |
| 7.0 | -0.3871 | 4.055 | View | CSV | PDB |
| 7.5 | -0.3856 | 4.0679 | View | CSV | PDB |
| 8.0 | -0.3809 | 4.084 | View | CSV | PDB |
| 8.5 | -0.3732 | 4.1011 | View | CSV | PDB |
| 9.0 | -0.3618 | 4.1178 | View | CSV | PDB |