| Chain sequence(s) | DGVGNASGNWHCDSTWLGDRVITTSTRTWALPTYNNHLYKQISSASTGASNDNHYFGYSTPWGYFDFNRFHCHFSPRDWQRLINNNWGFRPKRLNFKLFNIQVKEVTTNDGVTTIANNLTSTVQVFSDSEYQLPYVLGSAHQGCLPPFPADVFMIPQYGYLTLNNGSQAVGRSSFYCLEYFPSQMLRTGNNFTFSYTFEEVPFHSSYAHSQSLDRLMNPLIDQYLYYLNRTQNQSGSAQNKDLLFSRGSPAGMSVQPKNWLPGPCYRQQRVSKTKTDNNNSNFTWTGASKYNLNGRESIINPGTAMASHKDDEDKFFPMSGVMIFGKESAGASNTALDNVMITDEEEIKATNPVATERFGTVAVNFQSSSTDPATGDVHAMGALPGMVWQDRDVYLQGPIWAKIPHTDGHFHPSPLMGGFGLKNPPPQILIKNTPVPANPPAEFSATKFASFITQYSTGQVSVEIEWELQKENSKRWNPEVQYTSNYAKSANVDFTVDNNGLYTEPRPIGTRYLTRPLDGVGNASGNWHCDSTWLGDRVITTSTRTWALPTYNNHLYKQISSASTGASNDNHYFGYSTPWGYFDFNRFHCHFSPRDWQRLINNNWGFRPKRLNFKLFNIQVKEVTTNDGVTTIANNLTSTVQVFSDSEYQLPYVLGSAHQGCLPPFPADVFMIPQYGYLTLNNGSQAVGRSSFYCLEYFPSQMLRTGNNFTFSYTFEEVPFHSSYAHSQSLDRLMNPLIDQYLYYLNRTQNQSGSAQNKDLLFSRGSPAGMSVQPKNWLPGPCYRQQRVSKTKTDNNNSNFTWTGASKYNLNGRESIINPGTAMASHKDDEDKFFPMSGVMIFGKESAGASNTALDNVMITDEEEIKATNPVATERFGTVAVNFQSSSTDPATGDVHAMGALPGMVWQDRDVYLQGPIWAKIPHTDGHFHPSPLMGGFGLKNPPPQILIKNTPVPANPPAEFSATKFASFITQYSTGQVSVEIEWELQKENSKRWNPEVQYTSNYAKSANVDFTVDNNGLYTEPRPIGTRYLTRPLDGVGNASGNWHCDSTWLGDRVITTSTRTWALPTYNNHLYKQISSASTGASNDNHYFGYSTPWGYFDFNRFHCHFSPRDWQRLINNNWGFRPKRLNFKLFNIQVKEVTTNDGVTTIANNLTSTVQVFSDSEYQLPYVLGSAHQGCLPPFPADVFMIPQYGYLTLNNGSQAVGRSSFYCLEYFPSQMLRTGNNFTFSYTFEEVPFHSSYAHSQSLDRLMNPLIDQYLYYLNRTQNQSGSAQNKDLLFSRGSPAGMSVQPKNWLPGPCYRQQRVSKTKTDNNNSNFTWTGASKYNLNGRESIINPGTAMASHKDDEDKFFPMSGVMIFGKESAGASNTALDNVMITDEEEIKATNPVATERFGTVAVNFQSSSTDPATGDVHAMGALPGMVWQDRDVYLQGPIWAKIPHTDGHFHPSPLMGGFGLKNPPPQILIKNTPVPANPPAEFSATKFASFITQYSTGQVSVEIEWELQKENSKRWNPEVQYTSNYAKSANVDFTVDNNGLYTEPRPIGTRYLTRPL 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] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[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] Analysis: Starting Aggrescan4D on folded.pdb (00:06:52)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/3b47777381d0ac/tmp/folded.pdb (00:06:52)
[INFO] Main: Simulation completed successfully. (00:21:40)
|
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 | |
| 17 | D | A | -2.5063 | |
| 18 | G | A | -1.3420 | |
| 19 | V | A | 0.3285 | |
| 20 | G | A | -0.6656 | |
| 21 | N | A | -1.7475 | |
| 22 | A | A | -1.2891 | |
| 23 | S | A | -1.4346 | |
| 24 | G | A | -1.1209 | |
| 25 | N | A | -1.1089 | |
| 26 | W | A | -0.2713 | |
| 27 | H | A | -1.2070 | |
| 28 | C | A | -0.9595 | |
| 29 | D | A | -1.7656 | |
| 30 | S | A | -0.7945 | |
| 31 | T | A | -0.0623 | |
| 32 | W | A | 0.1204 | |
| 33 | L | A | 0.3539 | |
| 34 | G | A | -1.0837 | |
| 35 | D | A | -2.2426 | |
| 36 | R | A | -1.2130 | |
| 37 | V | A | 0.0000 | |
| 38 | I | A | -0.1308 | |
| 39 | T | A | 0.0000 | |
| 40 | T | A | 0.0000 | |
| 41 | S | A | 0.0000 | |
| 42 | T | A | 0.0000 | |
| 43 | R | A | 0.0000 | |
| 44 | T | A | 0.4089 | |
| 45 | W | A | 0.0000 | |
| 46 | A | A | 0.6916 | |
| 47 | L | A | 0.0000 | |
| 48 | P | A | 0.0809 | |
| 49 | T | A | -0.2267 | |
| 50 | Y | A | -0.1803 | |
| 51 | N | A | -0.6609 | |
| 52 | N | A | -1.0131 | |
| 53 | H | A | -0.2713 | |
| 54 | L | A | 0.2040 | |
| 55 | Y | A | -0.1780 | |
| 56 | K | A | -1.1859 | |
| 57 | Q | A | -1.2580 | |
| 58 | I | A | -0.3343 | |
| 59 | S | A | -0.3942 | |
| 60 | S | A | 0.0000 | |
| 61 | A | A | -0.3606 | |
| 62 | S | A | -0.3209 | |
| 63 | T | A | -0.4369 | |
| 64 | G | A | -0.7759 | |
| 65 | A | A | -0.7949 | |
| 66 | S | A | -1.0872 | |
| 67 | N | A | -1.7568 | |
| 68 | D | A | -1.1729 | |
| 69 | N | A | -0.8965 | |
| 70 | H | A | -0.9977 | |
| 71 | Y | A | -0.2853 | |
| 72 | F | A | -0.0966 | |
| 73 | G | A | 0.0000 | |
| 74 | Y | A | -0.3279 | |
| 75 | S | A | 0.0000 | |
| 76 | T | A | 0.0000 | |
| 77 | P | A | 0.0000 | |
| 78 | W | A | 0.0000 | |
| 79 | G | A | 0.0000 | |
| 80 | Y | A | 0.0000 | |
| 81 | F | A | 0.0000 | |
| 82 | D | A | 0.0000 | |
| 83 | F | A | 0.0000 | |
| 84 | N | A | 0.0000 | |
| 85 | R | A | -0.2279 | |
| 86 | F | A | 0.0000 | |
| 87 | H | A | 0.0000 | |
| 88 | C | A | 0.0000 | |
| 89 | H | A | 0.0000 | |
| 90 | F | A | 0.0000 | |
| 91 | S | A | -1.0479 | |
| 92 | P | A | -1.4098 | |
| 93 | R | A | -2.5242 | |
| 94 | D | A | -1.8161 | |
| 95 | W | A | 0.0000 | |
| 96 | Q | A | -2.0634 | |
| 97 | R | A | -2.5489 | |
| 98 | L | A | 0.0000 | |
| 99 | I | A | 0.0000 | |
| 100 | N | A | -1.1882 | |
| 101 | N | A | -1.7909 | |
| 102 | N | A | 0.0000 | |
| 103 | W | A | -0.9230 | |
| 104 | G | A | 0.0000 | |
| 105 | F | A | 0.0000 | |
| 106 | R | A | -0.9316 | |
| 107 | P | A | 0.0000 | |
| 108 | K | A | -1.8794 | |
| 109 | R | A | -2.0286 | |
| 110 | L | A | 0.0000 | |
| 111 | N | A | -1.4270 | |
| 112 | F | A | 0.0000 | |
| 113 | K | A | -0.9952 | |
| 114 | L | A | 0.0000 | |
| 115 | F | A | 0.0000 | |
| 116 | N | A | -1.0374 | |
| 117 | I | A | 0.0000 | |
| 118 | Q | A | -1.0031 | |
| 119 | V | A | 0.0000 | |
| 120 | K | A | -0.3872 | |
| 121 | E | A | -0.0494 | |
| 122 | V | A | 0.6339 | |
| 123 | T | A | 0.3129 | |
| 124 | T | A | -0.4009 | |
| 125 | N | A | -1.7781 | |
| 126 | D | A | -2.0967 | |
| 127 | G | A | -0.9414 | |
| 128 | V | A | 0.4899 | |
| 129 | T | A | 0.5453 | |
| 130 | T | A | 1.0025 | |
| 131 | I | A | 1.6162 | |
| 132 | A | A | 0.2829 | |
| 133 | N | A | -0.9737 | |
| 134 | N | A | -0.5776 | |
| 135 | L | A | 0.3082 | |
| 136 | T | A | -0.0259 | |
| 137 | S | A | 0.0000 | |
| 138 | T | A | -0.5483 | |
| 139 | V | A | 0.0000 | |
| 140 | Q | A | -0.5066 | |
| 141 | V | A | 0.0000 | |
| 142 | F | A | 0.0000 | |
| 143 | S | A | -0.4841 | |
| 144 | D | A | 0.0000 | |
| 145 | S | A | -1.1906 | |
| 146 | E | A | -2.1717 | |
| 147 | Y | A | -1.2831 | |
| 148 | Q | A | -0.9782 | |
| 149 | L | A | 0.0000 | |
| 150 | P | A | 0.0000 | |
| 151 | Y | A | 0.0000 | |
| 152 | V | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | G | A | -0.1024 | |
| 155 | S | A | -0.1530 | |
| 156 | A | A | 0.0000 | |
| 157 | H | A | 0.0000 | |
| 158 | Q | A | -0.6160 | |
| 159 | G | A | -0.1272 | |
| 160 | C | A | -0.0332 | |
| 161 | L | A | 0.0000 | |
| 162 | P | A | 0.1059 | |
| 163 | P | A | -0.0135 | |
| 164 | F | A | 0.6992 | |
| 165 | P | A | 0.0683 | |
| 166 | A | A | -0.1926 | |
| 167 | D | A | -0.5895 | |
| 168 | V | A | 1.1961 | |
| 169 | F | A | 0.0000 | |
| 170 | M | A | 1.3861 | |
| 171 | I | A | 0.0000 | |
| 172 | P | A | 0.0000 | |
| 173 | Q | A | 0.1375 | |
| 174 | Y | A | 0.0000 | |
| 175 | G | A | 0.0000 | |
| 176 | Y | A | 0.0000 | |
| 177 | L | A | 0.0000 | |
| 178 | T | A | 0.0000 | |
| 179 | L | A | 0.0924 | |
| 180 | N | A | 0.0000 | |
| 181 | N | A | -1.1483 | |
| 182 | G | A | -1.0194 | |
| 183 | S | A | -0.9451 | |
| 184 | Q | A | -1.1057 | |
| 185 | A | A | -0.3192 | |
| 186 | V | A | 0.2105 | |
| 187 | G | A | -0.1474 | |
| 188 | R | A | -0.1948 | |
| 189 | S | A | 0.0000 | |
| 190 | S | A | 0.0000 | |
| 191 | F | A | 0.3899 | |
| 192 | Y | A | 0.0000 | |
| 193 | C | A | 0.4486 | |
| 194 | L | A | 0.0000 | |
| 195 | E | A | -0.5718 | |
| 196 | Y | A | 0.8518 | |
| 197 | F | A | 0.0000 | |
| 198 | P | A | -0.3914 | |
| 199 | S | A | -0.6166 | |
| 200 | Q | A | -1.1517 | |
| 201 | M | A | -0.2685 | |
| 202 | L | A | 0.0000 | |
| 203 | R | A | -1.8217 | |
| 204 | T | A | -1.3554 | |
| 205 | G | A | 0.0000 | |
| 206 | N | A | -1.9729 | |
| 207 | N | A | -1.5301 | |
| 208 | F | A | -0.5026 | |
| 209 | T | A | -0.4379 | |
| 210 | F | A | -0.2038 | |
| 211 | S | A | -0.7473 | |
| 212 | Y | A | -0.7767 | |
| 213 | T | A | -1.3388 | |
| 214 | F | A | 0.0000 | |
| 215 | E | A | -2.1492 | |
| 216 | E | A | -2.2638 | |
| 217 | V | A | 0.0000 | |
| 218 | P | A | -0.6099 | |
| 219 | F | A | -0.1280 | |
| 220 | H | A | 0.0000 | |
| 221 | S | A | 0.0000 | |
| 222 | S | A | 0.0000 | |
| 223 | Y | A | -0.0768 | |
| 224 | A | A | 0.0000 | |
| 225 | H | A | 0.0000 | |
| 226 | S | A | 0.0000 | |
| 227 | Q | A | 0.0000 | |
| 228 | S | A | 0.0000 | |
| 229 | L | A | 0.0000 | |
| 230 | D | A | 0.0000 | |
| 231 | R | A | 0.0000 | |
| 232 | L | A | 0.1869 | |
| 233 | M | A | 0.0000 | |
| 234 | N | A | 0.0000 | |
| 235 | P | A | 0.0000 | |
| 236 | L | A | 0.4768 | |
| 237 | I | A | 0.0495 | |
| 238 | D | A | -0.5708 | |
| 239 | Q | A | 0.0000 | |
| 240 | Y | A | 0.0000 | |
| 241 | L | A | 0.0000 | |
| 242 | Y | A | 0.0000 | |
| 243 | Y | A | -0.0389 | |
| 244 | L | A | 0.0000 | |
| 245 | N | A | -0.5636 | |
| 246 | R | A | -1.0566 | |
| 247 | T | A | 0.0000 | |
| 248 | Q | A | -2.2790 | |
| 249 | N | A | -2.3728 | |
| 250 | Q | A | -2.2721 | |
| 251 | S | A | -1.5946 | |
| 252 | G | A | -1.4782 | |
| 253 | S | A | -1.0954 | |
| 254 | A | A | -1.5119 | |
| 255 | Q | A | -2.6908 | |
| 256 | N | A | -2.8648 | |
| 257 | K | A | -2.4307 | |
| 258 | D | A | -1.7944 | |
| 259 | L | A | 0.0000 | |
| 260 | L | A | -0.6505 | |
| 261 | F | A | 0.0000 | |
| 262 | S | A | 0.0000 | |
| 263 | R | A | -0.6293 | |
| 264 | G | A | 0.0000 | |
| 265 | S | A | -0.2766 | |
| 266 | P | A | -0.0804 | |
| 267 | A | A | -0.0850 | |
| 268 | G | A | -0.1904 | |
| 269 | M | A | 0.0000 | |
| 270 | S | A | 0.0000 | |
| 271 | V | A | 0.0656 | |
| 272 | Q | A | 0.0000 | |
| 273 | P | A | 0.0000 | |
| 274 | K | A | -0.1353 | |
| 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 | C | A | 0.0000 | |
| 282 | Y | A | 0.0000 | |
| 283 | R | A | 0.0000 | |
| 284 | Q | A | 0.0000 | |
| 285 | Q | A | 0.0000 | |
| 286 | R | A | -0.0535 | |
| 287 | V | A | 0.0000 | |
| 288 | S | A | 0.0000 | |
| 289 | K | A | -1.4798 | |
| 290 | T | A | -1.1305 | |
| 291 | K | A | -1.5782 | |
| 292 | T | A | -1.1851 | |
| 293 | D | A | -1.2138 | |
| 294 | N | A | 0.0000 | |
| 295 | N | A | 0.0000 | |
| 296 | N | A | -2.1309 | |
| 297 | S | A | -1.6064 | |
| 298 | N | A | -1.2022 | |
| 299 | F | A | 0.0000 | |
| 300 | T | A | 0.0000 | |
| 301 | W | A | 0.1720 | |
| 302 | T | A | 0.0295 | |
| 303 | G | A | 0.0000 | |
| 304 | A | A | 0.0000 | |
| 305 | S | A | 0.0000 | |
| 306 | K | A | 0.0000 | |
| 307 | Y | A | 0.0000 | |
| 308 | N | A | -0.5240 | |
| 309 | L | A | 0.0000 | |
| 310 | N | A | -0.9066 | |
| 311 | G | A | -0.9578 | |
| 312 | R | A | 0.0000 | |
| 313 | E | A | -0.5977 | |
| 314 | S | A | 0.0000 | |
| 315 | I | A | 0.0000 | |
| 316 | I | A | 0.0000 | |
| 317 | N | A | 0.0000 | |
| 318 | P | A | 0.0000 | |
| 319 | G | A | 0.0000 | |
| 320 | T | A | 0.0000 | |
| 321 | A | A | -0.0768 | |
| 322 | M | A | 0.0000 | |
| 323 | A | A | 0.0000 | |
| 324 | S | A | 0.0000 | |
| 325 | H | A | 0.0000 | |
| 326 | K | A | -1.6310 | |
| 327 | D | A | -2.1091 | |
| 328 | D | A | -2.8703 | |
| 329 | E | A | -2.5097 | |
| 330 | D | A | -3.2798 | |
| 331 | K | A | -2.4359 | |
| 332 | F | A | -1.5374 | |
| 333 | F | A | 0.0000 | |
| 334 | P | A | 0.0000 | |
| 335 | M | A | 0.0000 | |
| 336 | S | A | 0.0000 | |
| 337 | G | A | 0.0000 | |
| 338 | V | A | 0.0000 | |
| 339 | M | A | 0.0000 | |
| 340 | I | A | 0.0000 | |
| 341 | F | A | 0.0000 | |
| 342 | G | A | -1.3787 | |
| 343 | K | A | -2.3444 | |
| 344 | E | A | -2.3065 | |
| 345 | S | A | -1.7130 | |
| 346 | A | A | 0.0000 | |
| 347 | G | A | -0.9047 | |
| 348 | A | A | -0.4914 | |
| 349 | S | A | -0.5348 | |
| 350 | N | A | -0.7251 | |
| 351 | T | A | 0.0000 | |
| 352 | A | A | -0.6287 | |
| 353 | L | A | -0.8715 | |
| 354 | D | A | -1.9273 | |
| 355 | N | A | -1.7610 | |
| 356 | V | A | 0.0000 | |
| 357 | M | A | 0.0000 | |
| 358 | I | A | -0.0300 | |
| 359 | T | A | 0.0000 | |
| 360 | D | A | -1.1752 | |
| 361 | E | A | 0.0000 | |
| 362 | E | A | -1.4755 | |
| 363 | E | A | -0.7671 | |
| 364 | I | A | 0.0000 | |
| 365 | K | A | -0.6853 | |
| 366 | A | A | 0.0000 | |
| 367 | T | A | 0.0000 | |
| 368 | N | A | 0.0000 | |
| 369 | P | A | 0.0000 | |
| 370 | V | A | 0.0000 | |
| 371 | A | A | 0.0000 | |
| 372 | T | A | 0.0000 | |
| 373 | E | A | 0.0000 | |
| 374 | R | A | -0.9681 | |
| 375 | F | A | 0.0000 | |
| 376 | G | A | 0.0000 | |
| 377 | T | A | 0.0000 | |
| 378 | V | A | 0.0000 | |
| 379 | A | A | 0.0000 | |
| 380 | V | A | -0.1284 | |
| 381 | N | A | -0.3205 | |
| 382 | F | A | 0.1385 | |
| 383 | Q | A | 0.0000 | |
| 384 | S | A | -1.0011 | |
| 385 | S | A | -1.2757 | |
| 386 | S | A | -0.9673 | |
| 387 | T | A | -1.1313 | |
| 388 | D | A | -2.0312 | |
| 389 | P | A | -0.9118 | |
| 390 | A | A | -0.3432 | |
| 391 | T | A | -0.3870 | |
| 392 | G | A | -0.9250 | |
| 393 | D | A | -1.9054 | |
| 394 | V | A | 0.0000 | |
| 395 | H | A | -0.7099 | |
| 396 | A | A | -0.2986 | |
| 397 | M | A | 0.0000 | |
| 398 | G | A | 0.0000 | |
| 399 | A | A | 0.0000 | |
| 400 | L | A | 0.0000 | |
| 401 | P | A | 0.0000 | |
| 402 | G | A | 0.0000 | |
| 403 | M | A | 0.0000 | |
| 404 | V | A | 0.0000 | |
| 405 | W | A | 0.0000 | |
| 406 | Q | A | 0.0000 | |
| 407 | D | A | -0.4485 | |
| 408 | R | A | 0.0000 | |
| 409 | D | A | 0.0000 | |
| 410 | V | A | 0.0000 | |
| 411 | Y | A | 0.0000 | |
| 412 | L | A | 0.0000 | |
| 413 | Q | A | 0.0000 | |
| 414 | G | A | 0.0000 | |
| 415 | P | A | 0.0000 | |
| 416 | I | A | 0.0000 | |
| 417 | W | A | 0.0000 | |
| 418 | A | A | 0.0000 | |
| 419 | K | A | 0.0000 | |
| 420 | I | A | 0.0000 | |
| 421 | P | A | 0.0000 | |
| 422 | H | A | -0.5243 | |
| 423 | T | A | -0.4313 | |
| 424 | D | A | -0.6524 | |
| 425 | G | A | 0.0000 | |
| 426 | H | A | -0.5020 | |
| 427 | F | A | 0.0000 | |
| 428 | H | A | -0.4587 | |
| 429 | P | A | -0.3772 | |
| 430 | S | A | -0.3256 | |
| 431 | P | A | 0.0000 | |
| 432 | L | A | 0.0000 | |
| 433 | M | A | 0.0000 | |
| 434 | G | A | 0.0000 | |
| 435 | G | A | -0.1416 | |
| 436 | F | A | 0.0000 | |
| 437 | G | A | -0.5615 | |
| 438 | L | A | 0.0000 | |
| 439 | K | A | -1.5297 | |
| 440 | N | A | -1.7515 | |
| 441 | P | A | 0.0000 | |
| 442 | P | A | 0.0000 | |
| 443 | P | A | 0.0000 | |
| 444 | Q | A | 0.0000 | |
| 445 | I | A | 0.0000 | |
| 446 | L | A | 0.0000 | |
| 447 | I | A | 0.0000 | |
| 448 | K | A | 0.0000 | |
| 449 | N | A | 0.0000 | |
| 450 | T | A | 0.1796 | |
| 451 | P | A | 0.0198 | |
| 452 | V | A | 0.3500 | |
| 453 | P | A | 0.0147 | |
| 454 | A | A | -0.4015 | |
| 455 | N | A | -1.3641 | |
| 456 | P | A | -0.9095 | |
| 457 | P | A | -0.8334 | |
| 458 | A | A | -0.7387 | |
| 459 | E | A | -1.0045 | |
| 460 | F | A | 0.9100 | |
| 461 | S | A | 0.0936 | |
| 462 | A | A | 0.0746 | |
| 463 | T | A | -0.4915 | |
| 464 | K | A | -1.4403 | |
| 465 | F | A | -0.2507 | |
| 466 | A | A | -0.2408 | |
| 467 | S | A | -0.3724 | |
| 468 | F | A | 0.1280 | |
| 469 | I | A | 0.1917 | |
| 470 | T | A | -0.0122 | |
| 471 | Q | A | 0.0000 | |
| 472 | Y | A | 0.2879 | |
| 473 | S | A | 0.0000 | |
| 474 | T | A | 0.0369 | |
| 475 | G | A | 0.0000 | |
| 476 | Q | A | -0.2859 | |
| 477 | V | A | 0.0000 | |
| 478 | S | A | -0.7040 | |
| 479 | V | A | 0.0000 | |
| 480 | E | A | -1.3284 | |
| 481 | I | A | 0.0000 | |
| 482 | E | A | -1.0561 | |
| 483 | W | A | 0.0000 | |
| 484 | E | A | -1.4244 | |
| 485 | L | A | 0.0000 | |
| 486 | Q | A | -1.9970 | |
| 487 | K | A | -2.6317 | |
| 488 | E | A | -2.3344 | |
| 489 | N | A | -2.1462 | |
| 490 | S | A | -1.2161 | |
| 491 | K | A | -0.1739 | |
| 492 | R | A | 0.0000 | |
| 493 | W | A | 1.1262 | |
| 494 | N | A | 0.0471 | |
| 495 | P | A | -0.3098 | |
| 496 | E | A | -0.3522 | |
| 497 | V | A | -0.0070 | |
| 498 | Q | A | -0.5878 | |
| 499 | Y | A | -0.5000 | |
| 500 | T | A | -0.5575 | |
| 501 | S | A | -0.6482 | |
| 502 | N | A | -0.8801 | |
| 503 | Y | A | 0.2892 | |
| 504 | A | A | -0.5852 | |
| 505 | K | A | -1.6119 | |
| 506 | S | A | -1.0808 | |
| 507 | A | A | -0.7790 | |
| 508 | N | A | -0.9750 | |
| 509 | V | A | 0.4888 | |
| 510 | D | A | -0.4213 | |
| 511 | F | A | -0.0831 | |
| 512 | T | A | 0.5296 | |
| 513 | V | A | 0.5046 | |
| 514 | D | A | -0.9630 | |
| 515 | N | A | -2.0263 | |
| 516 | N | A | -1.7823 | |
| 517 | G | A | -0.8228 | |
| 518 | L | A | -0.0326 | |
| 519 | Y | A | 0.0605 | |
| 520 | T | A | -0.2511 | |
| 521 | E | A | -0.9562 | |
| 522 | P | A | -0.8897 | |
| 523 | R | A | -1.0850 | |
| 524 | P | A | -0.6300 | |
| 525 | I | A | 0.0000 | |
| 526 | G | A | -0.2735 | |
| 527 | T | A | 0.0000 | |
| 528 | R | A | 0.0000 | |
| 529 | Y | A | 0.0244 | |
| 530 | L | A | 0.0000 | |
| 531 | T | A | 0.0000 | |
| 532 | R | A | -0.5474 | |
| 533 | P | A | 0.0000 | |
| 534 | L | A | 0.0000 | |
| 17 | D | B | -2.5216 | |
| 18 | G | B | -1.3513 | |
| 19 | V | B | 0.3171 | |
| 20 | G | B | -0.6664 | |
| 21 | N | B | -1.7575 | |
| 22 | A | B | -1.3069 | |
| 23 | S | B | -1.4634 | |
| 24 | G | B | -1.1524 | |
| 25 | N | B | -1.1523 | |
| 26 | W | B | -0.3572 | |
| 27 | H | B | -1.2583 | |
| 28 | C | B | -1.0087 | |
| 29 | D | B | -1.8148 | |
| 30 | S | B | -0.8270 | |
| 31 | T | B | -0.2425 | |
| 32 | W | B | -0.1951 | |
| 33 | L | B | -0.2581 | |
| 34 | G | B | -1.3955 | |
| 35 | D | B | -2.5477 | |
| 36 | R | B | -1.7730 | |
| 37 | V | B | 0.0000 | |
| 38 | I | B | -0.4220 | |
| 39 | T | B | 0.0000 | |
| 40 | T | B | 0.0000 | |
| 41 | S | B | 0.0000 | |
| 42 | T | B | 0.0000 | |
| 43 | R | B | 0.0000 | |
| 44 | T | B | 0.4234 | |
| 45 | W | B | 0.0000 | |
| 46 | A | B | 0.7058 | |
| 47 | L | B | 0.0000 | |
| 48 | P | B | 0.1206 | |
| 49 | T | B | -0.2402 | |
| 50 | Y | B | -0.2304 | |
| 51 | N | B | -0.8354 | |
| 52 | N | B | -1.1012 | |
| 53 | H | B | -0.5008 | |
| 54 | L | B | -0.2649 | |
| 55 | Y | B | -0.5108 | |
| 56 | K | B | -1.5567 | |
| 57 | Q | B | -1.4664 | |
| 58 | I | B | -0.4620 | |
| 59 | S | B | -0.5075 | |
| 60 | S | B | 0.0000 | |
| 61 | A | B | -0.3871 | |
| 62 | S | B | -0.3227 | |
| 63 | T | B | -0.4386 | |
| 64 | G | B | -0.7770 | |
| 65 | A | B | -0.7958 | |
| 66 | S | B | -1.0894 | |
| 67 | N | B | -1.7476 | |
| 68 | D | B | -1.1607 | |
| 69 | N | B | -0.9081 | |
| 70 | H | B | -1.0316 | |
| 71 | Y | B | -0.4173 | |
| 72 | F | B | 0.0000 | |
| 73 | G | B | 0.0000 | |
| 74 | Y | B | -0.4385 | |
| 75 | S | B | 0.0000 | |
| 76 | T | B | 0.0000 | |
| 77 | P | B | 0.0000 | |
| 78 | W | B | 0.0000 | |
| 79 | G | B | 0.0000 | |
| 80 | Y | B | 0.0000 | |
| 81 | F | B | 0.0000 | |
| 82 | D | B | 0.0000 | |
| 83 | F | B | 0.0000 | |
| 84 | N | B | 0.0000 | |
| 85 | R | B | -0.2286 | |
| 86 | F | B | 0.0000 | |
| 87 | H | B | 0.0000 | |
| 88 | C | B | 0.0000 | |
| 89 | H | B | 0.0000 | |
| 90 | F | B | 0.0000 | |
| 91 | S | B | -1.0005 | |
| 92 | P | B | -1.3481 | |
| 93 | R | B | -2.3860 | |
| 94 | D | B | 0.0000 | |
| 95 | W | B | 0.0000 | |
| 96 | Q | B | -1.9256 | |
| 97 | R | B | -2.3186 | |
| 98 | L | B | 0.0000 | |
| 99 | I | B | 0.0000 | |
| 100 | N | B | -1.1713 | |
| 101 | N | B | -1.7857 | |
| 102 | N | B | 0.0000 | |
| 103 | W | B | -0.9058 | |
| 104 | G | B | 0.0000 | |
| 105 | F | B | 0.0000 | |
| 106 | R | B | -0.9126 | |
| 107 | P | B | 0.0000 | |
| 108 | K | B | -1.9150 | |
| 109 | R | B | -2.2721 | |
| 110 | L | B | 0.0000 | |
| 111 | N | B | -1.4904 | |
| 112 | F | B | 0.0000 | |
| 113 | K | B | -1.0105 | |
| 114 | L | B | 0.0000 | |
| 115 | F | B | 0.0000 | |
| 116 | N | B | -1.0600 | |
| 117 | I | B | 0.0000 | |
| 118 | Q | B | -0.9816 | |
| 119 | V | B | 0.0000 | |
| 120 | K | B | -0.4773 | |
| 121 | E | B | -0.0543 | |
| 122 | V | B | 0.5081 | |
| 123 | T | B | 0.2293 | |
| 124 | T | B | -0.4939 | |
| 125 | N | B | -1.7769 | |
| 126 | D | B | -2.0973 | |
| 127 | G | B | -0.9405 | |
| 128 | V | B | 0.4888 | |
| 129 | T | B | 0.3763 | |
| 130 | T | B | 0.6586 | |
| 131 | I | B | 0.9091 | |
| 132 | A | B | -0.0396 | |
| 133 | N | B | -1.0861 | |
| 134 | N | B | -0.5911 | |
| 135 | L | B | 0.3100 | |
| 136 | T | B | -0.0302 | |
| 137 | S | B | 0.0000 | |
| 138 | T | B | -0.5604 | |
| 139 | V | B | 0.0000 | |
| 140 | Q | B | -0.5011 | |
| 141 | V | B | 0.0000 | |
| 142 | F | B | 0.0000 | |
| 143 | S | B | -0.4743 | |
| 144 | D | B | 0.0000 | |
| 145 | S | B | -1.1779 | |
| 146 | E | B | -2.1644 | |
| 147 | Y | B | -1.3208 | |
| 148 | Q | B | -0.9894 | |
| 149 | L | B | 0.0000 | |
| 150 | P | B | 0.0000 | |
| 151 | Y | B | 0.0000 | |
| 152 | V | B | 0.0000 | |
| 153 | L | B | 0.0000 | |
| 154 | G | B | -0.1043 | |
| 155 | S | B | -0.1267 | |
| 156 | A | B | 0.0000 | |
| 157 | H | B | 0.0000 | |
| 158 | Q | B | -0.4462 | |
| 159 | G | B | -0.0466 | |
| 160 | C | B | 0.0031 | |
| 161 | L | B | 0.0000 | |
| 162 | P | B | 0.1204 | |
| 163 | P | B | -0.0536 | |
| 164 | F | B | 0.6239 | |
| 165 | P | B | 0.0520 | |
| 166 | A | B | -0.1573 | |
| 167 | D | B | -0.4782 | |
| 168 | V | B | 1.2495 | |
| 169 | F | B | 0.0000 | |
| 170 | M | B | 1.3864 | |
| 171 | I | B | 0.0000 | |
| 172 | P | B | 0.0000 | |
| 173 | Q | B | 0.1396 | |
| 174 | Y | B | 0.0000 | |
| 175 | G | B | 0.0000 | |
| 176 | Y | B | 0.0000 | |
| 177 | L | B | 0.0000 | |
| 178 | T | B | 0.0000 | |
| 179 | L | B | 0.0000 | |
| 180 | N | B | 0.0000 | |
| 181 | N | B | -1.2236 | |
| 182 | G | B | -1.0670 | |
| 183 | S | B | -0.9897 | |
| 184 | Q | B | -1.2346 | |
| 185 | A | B | -0.5525 | |
| 186 | V | B | -0.1369 | |
| 187 | G | B | -0.3105 | |
| 188 | R | B | -0.2686 | |
| 189 | S | B | 0.0000 | |
| 190 | S | B | 0.0000 | |
| 191 | F | B | 0.3900 | |
| 192 | Y | B | 0.0000 | |
| 193 | C | B | 0.4564 | |
| 194 | L | B | 0.0000 | |
| 195 | E | B | -0.5701 | |
| 196 | Y | B | 0.8461 | |
| 197 | F | B | 0.0000 | |
| 198 | P | B | -0.3894 | |
| 199 | S | B | -0.6109 | |
| 200 | Q | B | -1.1479 | |
| 201 | M | B | -0.2597 | |
| 202 | L | B | 0.0000 | |
| 203 | R | B | -1.8452 | |
| 204 | T | B | -1.3748 | |
| 205 | G | B | 0.0000 | |
| 206 | N | B | -2.0058 | |
| 207 | N | B | -1.5627 | |
| 208 | F | B | -0.5089 | |
| 209 | T | B | -0.4390 | |
| 210 | F | B | -0.2015 | |
| 211 | S | B | -0.8139 | |
| 212 | Y | B | -0.8344 | |
| 213 | T | B | -1.3775 | |
| 214 | F | B | 0.0000 | |
| 215 | E | B | -1.9768 | |
| 216 | E | B | -2.1146 | |
| 217 | V | B | 0.0000 | |
| 218 | P | B | -0.5716 | |
| 219 | F | B | -0.1077 | |
| 220 | H | B | 0.0000 | |
| 221 | S | B | 0.0000 | |
| 222 | S | B | 0.0000 | |
| 223 | Y | B | -0.0971 | |
| 224 | A | B | 0.0000 | |
| 225 | H | B | 0.0000 | |
| 226 | S | B | 0.0000 | |
| 227 | Q | B | 0.0000 | |
| 228 | S | B | 0.0000 | |
| 229 | L | B | 0.0000 | |
| 230 | D | B | 0.0000 | |
| 231 | R | B | 0.0000 | |
| 232 | L | B | 0.1788 | |
| 233 | M | B | 0.0000 | |
| 234 | N | B | 0.0000 | |
| 235 | P | B | 0.0000 | |
| 236 | L | B | 0.4595 | |
| 237 | I | B | 0.0080 | |
| 238 | D | B | -0.6251 | |
| 239 | Q | B | 0.0000 | |
| 240 | Y | B | 0.0000 | |
| 241 | L | B | 0.0000 | |
| 242 | Y | B | 0.0000 | |
| 243 | Y | B | -0.0212 | |
| 244 | L | B | 0.0000 | |
| 245 | N | B | -0.5228 | |
| 246 | R | B | -1.0445 | |
| 247 | T | B | 0.0000 | |
| 248 | Q | B | -2.2216 | |
| 249 | N | B | -2.3590 | |
| 250 | Q | B | -2.2610 | |
| 251 | S | B | -1.5841 | |
| 252 | G | B | -1.4791 | |
| 253 | S | B | -1.0955 | |
| 254 | A | B | -1.5029 | |
| 255 | Q | B | -2.6848 | |
| 256 | N | B | -2.8345 | |
| 257 | K | B | -2.3695 | |
| 258 | D | B | -1.7746 | |
| 259 | L | B | 0.0000 | |
| 260 | L | B | -0.6537 | |
| 261 | F | B | 0.0000 | |
| 262 | S | B | 0.0000 | |
| 263 | R | B | -0.5881 | |
| 264 | G | B | 0.0000 | |
| 265 | S | B | -0.2827 | |
| 266 | P | B | -0.0740 | |
| 267 | A | B | -0.0925 | |
| 268 | G | B | -0.1887 | |
| 269 | M | B | 0.0000 | |
| 270 | S | B | 0.0000 | |
| 271 | V | B | 0.0813 | |
| 272 | Q | B | 0.0000 | |
| 273 | P | B | 0.0000 | |
| 274 | K | B | -0.1309 | |
| 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 | C | B | 0.0000 | |
| 282 | Y | B | 0.0000 | |
| 283 | R | B | 0.0000 | |
| 284 | Q | B | 0.0000 | |
| 285 | Q | B | 0.0000 | |
| 286 | R | B | -0.1160 | |
| 287 | V | B | 0.0000 | |
| 288 | S | B | 0.0000 | |
| 289 | K | B | -1.4913 | |
| 290 | T | B | -1.2316 | |
| 291 | K | B | -1.8772 | |
| 292 | T | B | -1.3595 | |
| 293 | D | B | -1.3449 | |
| 294 | N | B | 0.0000 | |
| 295 | N | B | 0.0000 | |
| 296 | N | B | -2.4883 | |
| 297 | S | B | -1.7740 | |
| 298 | N | B | -1.3054 | |
| 299 | F | B | 0.0000 | |
| 300 | T | B | 0.0000 | |
| 301 | W | B | 0.1494 | |
| 302 | T | B | 0.0074 | |
| 303 | G | B | 0.0000 | |
| 304 | A | B | 0.0000 | |
| 305 | S | B | 0.0000 | |
| 306 | K | B | 0.0000 | |
| 307 | Y | B | 0.0000 | |
| 308 | N | B | 0.0000 | |
| 309 | L | B | 0.0000 | |
| 310 | N | B | -0.6998 | |
| 311 | G | B | -0.7481 | |
| 312 | R | B | 0.0000 | |
| 313 | E | B | -0.5174 | |
| 314 | S | B | 0.0000 | |
| 315 | I | B | 0.0000 | |
| 316 | I | B | 0.0000 | |
| 317 | N | B | 0.0000 | |
| 318 | P | B | 0.0000 | |
| 319 | G | B | 0.0000 | |
| 320 | T | B | 0.0000 | |
| 321 | A | B | -0.0775 | |
| 322 | M | B | 0.0000 | |
| 323 | A | B | 0.0000 | |
| 324 | S | B | 0.0000 | |
| 325 | H | B | 0.0000 | |
| 326 | K | B | -1.8758 | |
| 327 | D | B | -2.1766 | |
| 328 | D | B | -2.9092 | |
| 329 | E | B | -2.5873 | |
| 330 | D | B | -3.3184 | |
| 331 | K | B | -2.3946 | |
| 332 | F | B | -1.5890 | |
| 333 | F | B | 0.0000 | |
| 334 | P | B | 0.0000 | |
| 335 | M | B | 0.0000 | |
| 336 | S | B | 0.0000 | |
| 337 | G | B | 0.0000 | |
| 338 | V | B | 0.0000 | |
| 339 | M | B | 0.0000 | |
| 340 | I | B | 0.0000 | |
| 341 | F | B | 0.0000 | |
| 342 | G | B | -1.3703 | |
| 343 | K | B | -2.3340 | |
| 344 | E | B | -2.3060 | |
| 345 | S | B | -1.7121 | |
| 346 | A | B | 0.0000 | |
| 347 | G | B | -0.9117 | |
| 348 | A | B | -0.4875 | |
| 349 | S | B | -0.5456 | |
| 350 | N | B | -0.7115 | |
| 351 | T | B | 0.0000 | |
| 352 | A | B | -0.5994 | |
| 353 | L | B | -0.8451 | |
| 354 | D | B | -1.9082 | |
| 355 | N | B | -1.7480 | |
| 356 | V | B | 0.0000 | |
| 357 | M | B | 0.0000 | |
| 358 | I | B | -0.0134 | |
| 359 | T | B | 0.0000 | |
| 360 | D | B | -1.2462 | |
| 361 | E | B | 0.0000 | |
| 362 | E | B | -1.5990 | |
| 363 | E | B | -0.8412 | |
| 364 | I | B | 0.0000 | |
| 365 | K | B | -0.6865 | |
| 366 | A | B | 0.0000 | |
| 367 | T | B | 0.0000 | |
| 368 | N | B | 0.0000 | |
| 369 | P | B | 0.0000 | |
| 370 | V | B | 0.0000 | |
| 371 | A | B | 0.0000 | |
| 372 | T | B | 0.0000 | |
| 373 | E | B | -0.6578 | |
| 374 | R | B | -0.8939 | |
| 375 | F | B | 0.0000 | |
| 376 | G | B | 0.0000 | |
| 377 | T | B | 0.0000 | |
| 378 | V | B | 0.0000 | |
| 379 | A | B | 0.0000 | |
| 380 | V | B | -0.1871 | |
| 381 | N | B | -0.4178 | |
| 382 | F | B | 0.0231 | |
| 383 | Q | B | 0.0000 | |
| 384 | S | B | -1.0144 | |
| 385 | S | B | -1.2586 | |
| 386 | S | B | -0.9733 | |
| 387 | T | B | -1.1558 | |
| 388 | D | B | -2.0526 | |
| 389 | P | B | -0.9308 | |
| 390 | A | B | -0.3586 | |
| 391 | T | B | -0.3362 | |
| 392 | G | B | -0.8166 | |
| 393 | D | B | -1.6767 | |
| 394 | V | B | 0.0000 | |
| 395 | H | B | -0.6702 | |
| 396 | A | B | -0.2585 | |
| 397 | M | B | 0.0000 | |
| 398 | G | B | 0.0000 | |
| 399 | A | B | 0.0000 | |
| 400 | L | B | 0.0000 | |
| 401 | P | B | 0.0000 | |
| 402 | G | B | 0.0000 | |
| 403 | M | B | 0.0000 | |
| 404 | V | B | 0.0000 | |
| 405 | W | B | 0.0000 | |
| 406 | Q | B | 0.0000 | |
| 407 | D | B | -0.4402 | |
| 408 | R | B | 0.0000 | |
| 409 | D | B | 0.0000 | |
| 410 | V | B | 0.0000 | |
| 411 | Y | B | 0.0000 | |
| 412 | L | B | 0.0000 | |
| 413 | Q | B | 0.0000 | |
| 414 | G | B | 0.0000 | |
| 415 | P | B | 0.0000 | |
| 416 | I | B | 0.0000 | |
| 417 | W | B | 0.0000 | |
| 418 | A | B | 0.0000 | |
| 419 | K | B | 0.0000 | |
| 420 | I | B | 0.0000 | |
| 421 | P | B | 0.0000 | |
| 422 | H | B | -0.7364 | |
| 423 | T | B | -0.5338 | |
| 424 | D | B | -0.7275 | |
| 425 | G | B | 0.0000 | |
| 426 | H | B | -0.7312 | |
| 427 | F | B | 0.0000 | |
| 428 | H | B | -0.4909 | |
| 429 | P | B | -0.4878 | |
| 430 | S | B | -0.3453 | |
| 431 | P | B | 0.0000 | |
| 432 | L | B | 0.0000 | |
| 433 | M | B | 0.0000 | |
| 434 | G | B | 0.0000 | |
| 435 | G | B | -0.1316 | |
| 436 | F | B | 0.0000 | |
| 437 | G | B | -0.6227 | |
| 438 | L | B | 0.0000 | |
| 439 | K | B | -1.9188 | |
| 440 | N | B | -1.8517 | |
| 441 | P | B | 0.0000 | |
| 442 | P | B | 0.0000 | |
| 443 | P | B | 0.0000 | |
| 444 | Q | B | 0.0000 | |
| 445 | I | B | 0.0000 | |
| 446 | L | B | 0.0000 | |
| 447 | I | B | 0.0000 | |
| 448 | K | B | 0.0000 | |
| 449 | N | B | 0.0000 | |
| 450 | T | B | 0.1709 | |
| 451 | P | B | 0.0445 | |
| 452 | V | B | 0.3937 | |
| 453 | P | B | 0.0831 | |
| 454 | A | B | -0.3001 | |
| 455 | N | B | -1.3247 | |
| 456 | P | B | -0.9149 | |
| 457 | P | B | -0.8439 | |
| 458 | A | B | -0.7459 | |
| 459 | E | B | -1.0189 | |
| 460 | F | B | 0.8774 | |
| 461 | S | B | 0.0311 | |
| 462 | A | B | 0.0456 | |
| 463 | T | B | -0.5077 | |
| 464 | K | B | -1.4405 | |
| 465 | F | B | -0.2444 | |
| 466 | A | B | -0.2892 | |
| 467 | S | B | -0.3155 | |
| 468 | F | B | 0.2536 | |
| 469 | I | B | 0.5690 | |
| 470 | T | B | 0.2100 | |
| 471 | Q | B | 0.0000 | |
| 472 | Y | B | 0.3585 | |
| 473 | S | B | 0.0000 | |
| 474 | T | B | 0.0513 | |
| 475 | G | B | 0.0000 | |
| 476 | Q | B | -0.3146 | |
| 477 | V | B | 0.0000 | |
| 478 | S | B | -0.7296 | |
| 479 | V | B | 0.0000 | |
| 480 | E | B | -1.3773 | |
| 481 | I | B | 0.0000 | |
| 482 | E | B | 0.0000 | |
| 483 | W | B | 0.0000 | |
| 484 | E | B | -1.5888 | |
| 485 | L | B | 0.0000 | |
| 486 | Q | B | -1.9698 | |
| 487 | K | B | -2.5539 | |
| 488 | E | B | -2.2718 | |
| 489 | N | B | -2.0775 | |
| 490 | S | B | -1.1870 | |
| 491 | K | B | -0.3444 | |
| 492 | R | B | 0.0000 | |
| 493 | W | B | 1.1294 | |
| 494 | N | B | 0.0440 | |
| 495 | P | B | -0.3134 | |
| 496 | E | B | -0.3586 | |
| 497 | V | B | -0.0278 | |
| 498 | Q | B | -0.6069 | |
| 499 | Y | B | -0.4842 | |
| 500 | T | B | -0.5626 | |
| 501 | S | B | -0.6574 | |
| 502 | N | B | -0.8891 | |
| 503 | Y | B | 0.2864 | |
| 504 | A | B | -0.4122 | |
| 505 | K | B | -1.6156 | |
| 506 | S | B | -1.0951 | |
| 507 | A | B | -0.7905 | |
| 508 | N | B | -0.9928 | |
| 509 | V | B | 0.4717 | |
| 510 | D | B | -0.4564 | |
| 511 | F | B | -0.1097 | |
| 512 | T | B | 0.4959 | |
| 513 | V | B | 0.4622 | |
| 514 | D | B | -0.9955 | |
| 515 | N | B | -2.0416 | |
| 516 | N | B | -1.7953 | |
| 517 | G | B | -0.8405 | |
| 518 | L | B | -0.0565 | |
| 519 | Y | B | 0.0306 | |
| 520 | T | B | -0.2732 | |
| 521 | E | B | -0.9508 | |
| 522 | P | B | -0.8790 | |
| 523 | R | B | -1.0530 | |
| 524 | P | B | -0.6154 | |
| 525 | I | B | 0.0000 | |
| 526 | G | B | -0.2816 | |
| 527 | T | B | 0.0000 | |
| 528 | R | B | 0.0000 | |
| 529 | Y | B | -0.0034 | |
| 530 | L | B | 0.0000 | |
| 531 | T | B | 0.0000 | |
| 532 | R | B | -0.5392 | |
| 533 | P | B | 0.0000 | |
| 534 | L | B | 0.0000 | |
| 17 | D | C | -2.5015 | |
| 18 | G | C | -1.3343 | |
| 19 | V | C | 0.3300 | |
| 20 | G | C | -0.6651 | |
| 21 | N | C | -1.7444 | |
| 22 | A | C | -1.2977 | |
| 23 | S | C | -1.4627 | |
| 24 | G | C | -1.1647 | |
| 25 | N | C | -1.1528 | |
| 26 | W | C | -0.3497 | |
| 27 | H | C | -1.2735 | |
| 28 | C | C | -1.0563 | |
| 29 | D | C | -1.8326 | |
| 30 | S | C | -0.8290 | |
| 31 | T | C | -0.2321 | |
| 32 | W | C | -0.1908 | |
| 33 | L | C | -0.2673 | |
| 34 | G | C | -1.3932 | |
| 35 | D | C | -2.5269 | |
| 36 | R | C | -1.7275 | |
| 37 | V | C | 0.0000 | |
| 38 | I | C | -0.3471 | |
| 39 | T | C | 0.0000 | |
| 40 | T | C | 0.0000 | |
| 41 | S | C | 0.0000 | |
| 42 | T | C | 0.0000 | |
| 43 | R | C | 0.0000 | |
| 44 | T | C | 0.4233 | |
| 45 | W | C | 0.0000 | |
| 46 | A | C | 0.7003 | |
| 47 | L | C | 0.0000 | |
| 48 | P | C | 0.0988 | |
| 49 | T | C | -0.2141 | |
| 50 | Y | C | -0.1888 | |
| 51 | N | C | -0.6400 | |
| 52 | N | C | -0.9480 | |
| 53 | H | C | -0.2415 | |
| 54 | L | C | 0.2936 | |
| 55 | Y | C | -0.1352 | |
| 56 | K | C | -1.1440 | |
| 57 | Q | C | -1.2743 | |
| 58 | I | C | -0.3869 | |
| 59 | S | C | -0.4749 | |
| 60 | S | C | 0.0000 | |
| 61 | A | C | -0.3889 | |
| 62 | S | C | -0.3205 | |
| 63 | T | C | -0.4381 | |
| 64 | G | C | -0.7786 | |
| 65 | A | C | -0.8061 | |
| 66 | S | C | -1.1065 | |
| 67 | N | C | -1.7654 | |
| 68 | D | C | -1.1802 | |
| 69 | N | C | -0.9218 | |
| 70 | H | C | -1.0507 | |
| 71 | Y | C | -0.3938 | |
| 72 | F | C | 0.0000 | |
| 73 | G | C | 0.0000 | |
| 74 | Y | C | -0.3403 | |
| 75 | S | C | 0.0000 | |
| 76 | T | C | 0.0000 | |
| 77 | P | C | 0.0000 | |
| 78 | W | C | 0.0000 | |
| 79 | G | C | 0.0000 | |
| 80 | Y | C | 0.0000 | |
| 81 | F | C | 0.0000 | |
| 82 | D | C | 0.0000 | |
| 83 | F | C | 0.0000 | |
| 84 | N | C | 0.0000 | |
| 85 | R | C | -0.2255 | |
| 86 | F | C | 0.0000 | |
| 87 | H | C | 0.0000 | |
| 88 | C | C | 0.0000 | |
| 89 | H | C | 0.0000 | |
| 90 | F | C | 0.0000 | |
| 91 | S | C | -1.0076 | |
| 92 | P | C | -1.3444 | |
| 93 | R | C | -2.3800 | |
| 94 | D | C | 0.0000 | |
| 95 | W | C | 0.0000 | |
| 96 | Q | C | -1.9179 | |
| 97 | R | C | -2.3036 | |
| 98 | L | C | 0.0000 | |
| 99 | I | C | 0.0000 | |
| 100 | N | C | -1.1780 | |
| 101 | N | C | -1.8056 | |
| 102 | N | C | 0.0000 | |
| 103 | W | C | -0.9091 | |
| 104 | G | C | 0.0000 | |
| 105 | F | C | 0.0000 | |
| 106 | R | C | -0.8762 | |
| 107 | P | C | 0.0000 | |
| 108 | K | C | -1.7987 | |
| 109 | R | C | -2.0581 | |
| 110 | L | C | 0.0000 | |
| 111 | N | C | -1.4476 | |
| 112 | F | C | 0.0000 | |
| 113 | K | C | -1.1009 | |
| 114 | L | C | 0.0000 | |
| 115 | F | C | 0.0000 | |
| 116 | N | C | -1.0739 | |
| 117 | I | C | 0.0000 | |
| 118 | Q | C | -1.0124 | |
| 119 | V | C | 0.0000 | |
| 120 | K | C | -0.3671 | |
| 121 | E | C | 0.1269 | |
| 122 | V | C | 0.5987 | |
| 123 | T | C | 0.3882 | |
| 124 | T | C | -0.4137 | |
| 125 | N | C | -1.7361 | |
| 126 | D | C | -2.0957 | |
| 127 | G | C | -0.9326 | |
| 128 | V | C | 0.5021 | |
| 129 | T | C | 0.5155 | |
| 130 | T | C | 0.9351 | |
| 131 | I | C | 1.4366 | |
| 132 | A | C | 0.2073 | |
| 133 | N | C | -1.0101 | |
| 134 | N | C | -0.5948 | |
| 135 | L | C | 0.2957 | |
| 136 | T | C | -0.0361 | |
| 137 | S | C | 0.0000 | |
| 138 | T | C | 0.0000 | |
| 139 | V | C | 0.0000 | |
| 140 | Q | C | -0.5780 | |
| 141 | V | C | 0.0000 | |
| 142 | F | C | 0.0000 | |
| 143 | S | C | -0.4980 | |
| 144 | D | C | 0.0000 | |
| 145 | S | C | -1.2125 | |
| 146 | E | C | -2.2712 | |
| 147 | Y | C | 0.0000 | |
| 148 | Q | C | -1.0427 | |
| 149 | L | C | 0.0000 | |
| 150 | P | C | 0.0000 | |
| 151 | Y | C | 0.0000 | |
| 152 | V | C | 0.0000 | |
| 153 | L | C | 0.0000 | |
| 154 | G | C | -0.1021 | |
| 155 | S | C | -0.1406 | |
| 156 | A | C | 0.0000 | |
| 157 | H | C | 0.0000 | |
| 158 | Q | C | -0.5552 | |
| 159 | G | C | -0.0977 | |
| 160 | C | C | -0.0243 | |
| 161 | L | C | 0.0000 | |
| 162 | P | C | 0.1011 | |
| 163 | P | C | -0.0745 | |
| 164 | F | C | 0.5727 | |
| 165 | P | C | 0.0309 | |
| 166 | A | C | -0.1536 | |
| 167 | D | C | -0.4653 | |
| 168 | V | C | 1.2618 | |
| 169 | F | C | 0.0000 | |
| 170 | M | C | 1.3869 | |
| 171 | I | C | 0.0000 | |
| 172 | P | C | 0.0000 | |
| 173 | Q | C | 0.1304 | |
| 174 | Y | C | 0.0000 | |
| 175 | G | C | 0.0000 | |
| 176 | Y | C | 0.0000 | |
| 177 | L | C | 0.0000 | |
| 178 | T | C | 0.0000 | |
| 179 | L | C | 0.0506 | |
| 180 | N | C | 0.0000 | |
| 181 | N | C | -1.1725 | |
| 182 | G | C | -1.0536 | |
| 183 | S | C | -1.0024 | |
| 184 | Q | C | -1.1558 | |
| 185 | A | C | -0.3746 | |
| 186 | V | C | 0.1804 | |
| 187 | G | C | -0.1559 | |
| 188 | R | C | -0.2100 | |
| 189 | S | C | 0.0000 | |
| 190 | S | C | 0.0000 | |
| 191 | F | C | 0.3770 | |
| 192 | Y | C | 0.0000 | |
| 193 | C | C | 0.4633 | |
| 194 | L | C | 0.0000 | |
| 195 | E | C | -0.5713 | |
| 196 | Y | C | 0.8513 | |
| 197 | F | C | 0.0000 | |
| 198 | P | C | -0.4032 | |
| 199 | S | C | -0.6463 | |
| 200 | Q | C | -1.2145 | |
| 201 | M | C | -0.3975 | |
| 202 | L | C | 0.0000 | |
| 203 | R | C | -1.8441 | |
| 204 | T | C | -1.3617 | |
| 205 | G | C | 0.0000 | |
| 206 | N | C | -1.9635 | |
| 207 | N | C | -1.6007 | |
| 208 | F | C | -0.5612 | |
| 209 | T | C | -0.4835 | |
| 210 | F | C | -0.2366 | |
| 211 | S | C | -0.7805 | |
| 212 | Y | C | -0.7986 | |
| 213 | T | C | -1.3406 | |
| 214 | F | C | 0.0000 | |
| 215 | E | C | -2.0801 | |
| 216 | E | C | -2.2144 | |
| 217 | V | C | 0.0000 | |
| 218 | P | C | -0.5971 | |
| 219 | F | C | -0.1041 | |
| 220 | H | C | 0.0000 | |
| 221 | S | C | 0.0000 | |
| 222 | S | C | 0.0000 | |
| 223 | Y | C | -0.1027 | |
| 224 | A | C | 0.0000 | |
| 225 | H | C | 0.0000 | |
| 226 | S | C | 0.0000 | |
| 227 | Q | C | 0.0000 | |
| 228 | S | C | 0.0000 | |
| 229 | L | C | 0.0000 | |
| 230 | D | C | 0.0000 | |
| 231 | R | C | 0.0000 | |
| 232 | L | C | 0.1934 | |
| 233 | M | C | 0.0000 | |
| 234 | N | C | 0.0000 | |
| 235 | P | C | 0.0000 | |
| 236 | L | C | 0.4300 | |
| 237 | I | C | -0.0512 | |
| 238 | D | C | -0.7428 | |
| 239 | Q | C | 0.0000 | |
| 240 | Y | C | 0.0000 | |
| 241 | L | C | 0.0000 | |
| 242 | Y | C | 0.0000 | |
| 243 | Y | C | -0.0356 | |
| 244 | L | C | 0.0000 | |
| 245 | N | C | -0.5559 | |
| 246 | R | C | -1.1277 | |
| 247 | T | C | 0.0000 | |
| 248 | Q | C | -2.2067 | |
| 249 | N | C | -2.4175 | |
| 250 | Q | C | -2.3098 | |
| 251 | S | C | -1.6061 | |
| 252 | G | C | -1.4869 | |
| 253 | S | C | -1.1025 | |
| 254 | A | C | -1.5239 | |
| 255 | Q | C | -2.6461 | |
| 256 | N | C | -2.8007 | |
| 257 | K | C | -2.3127 | |
| 258 | D | C | -1.7854 | |
| 259 | L | C | 0.0000 | |
| 260 | L | C | -0.7066 | |
| 261 | F | C | 0.0000 | |
| 262 | S | C | 0.0000 | |
| 263 | R | C | -0.6233 | |
| 264 | G | C | 0.0000 | |
| 265 | S | C | -0.3286 | |
| 266 | P | C | -0.1163 | |
| 267 | A | C | -0.1048 | |
| 268 | G | C | -0.1854 | |
| 269 | M | C | 0.0000 | |
| 270 | S | C | 0.0000 | |
| 271 | V | C | 0.0728 | |
| 272 | Q | C | 0.0000 | |
| 273 | P | C | 0.0000 | |
| 274 | K | C | -0.1352 | |
| 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 | C | C | 0.0000 | |
| 282 | Y | C | 0.0000 | |
| 283 | R | C | 0.0000 | |
| 284 | Q | C | 0.0000 | |
| 285 | Q | C | 0.0000 | |
| 286 | R | C | -0.1424 | |
| 287 | V | C | 0.0000 | |
| 288 | S | C | 0.0000 | |
| 289 | K | C | -1.4302 | |
| 290 | T | C | -1.1355 | |
| 291 | K | C | -1.6804 | |
| 292 | T | C | -1.2647 | |
| 293 | D | C | -1.2778 | |
| 294 | N | C | 0.0000 | |
| 295 | N | C | 0.0000 | |
| 296 | N | C | -2.4777 | |
| 297 | S | C | -1.7710 | |
| 298 | N | C | -1.2849 | |
| 299 | F | C | 0.0000 | |
| 300 | T | C | 0.0000 | |
| 301 | W | C | 0.1608 | |
| 302 | T | C | 0.0111 | |
| 303 | G | C | 0.0000 | |
| 304 | A | C | 0.0000 | |
| 305 | S | C | 0.0000 | |
| 306 | K | C | 0.0000 | |
| 307 | Y | C | 0.0000 | |
| 308 | N | C | 0.0000 | |
| 309 | L | C | 0.0000 | |
| 310 | N | C | -0.8154 | |
| 311 | G | C | -0.8173 | |
| 312 | R | C | 0.0000 | |
| 313 | E | C | -0.5017 | |
| 314 | S | C | 0.0000 | |
| 315 | I | C | 0.0000 | |
| 316 | I | C | 0.0000 | |
| 317 | N | C | 0.0000 | |
| 318 | P | C | 0.0000 | |
| 319 | G | C | 0.0000 | |
| 320 | T | C | 0.0000 | |
| 321 | A | C | -0.0761 | |
| 322 | M | C | 0.0000 | |
| 323 | A | C | 0.0000 | |
| 324 | S | C | 0.0000 | |
| 325 | H | C | 0.0000 | |
| 326 | K | C | -1.8776 | |
| 327 | D | C | -2.1598 | |
| 328 | D | C | -2.8560 | |
| 329 | E | C | -2.4598 | |
| 330 | D | C | -3.2546 | |
| 331 | K | C | -2.3700 | |
| 332 | F | C | -1.5305 | |
| 333 | F | C | 0.0000 | |
| 334 | P | C | 0.0000 | |
| 335 | M | C | 0.0000 | |
| 336 | S | C | 0.0000 | |
| 337 | G | C | 0.0000 | |
| 338 | V | C | 0.0000 | |
| 339 | M | C | 0.0000 | |
| 340 | I | C | 0.0000 | |
| 341 | F | C | 0.0000 | |
| 342 | G | C | -1.3690 | |
| 343 | K | C | -2.3318 | |
| 344 | E | C | -2.3199 | |
| 345 | S | C | -1.7109 | |
| 346 | A | C | 0.0000 | |
| 347 | G | C | -0.9024 | |
| 348 | A | C | -0.4749 | |
| 349 | S | C | -0.5225 | |
| 350 | N | C | -0.6934 | |
| 351 | T | C | 0.0000 | |
| 352 | A | C | -0.6261 | |
| 353 | L | C | -0.8717 | |
| 354 | D | C | -1.9281 | |
| 355 | N | C | -1.7577 | |
| 356 | V | C | 0.0000 | |
| 357 | M | C | 0.0000 | |
| 358 | I | C | -0.0422 | |
| 359 | T | C | 0.0000 | |
| 360 | D | C | -1.2404 | |
| 361 | E | C | 0.0000 | |
| 362 | E | C | -1.5301 | |
| 363 | E | C | -0.8057 | |
| 364 | I | C | 0.0000 | |
| 365 | K | C | -0.7151 | |
| 366 | A | C | 0.0000 | |
| 367 | T | C | 0.0000 | |
| 368 | N | C | 0.0000 | |
| 369 | P | C | 0.0000 | |
| 370 | V | C | 0.0000 | |
| 371 | A | C | 0.0000 | |
| 372 | T | C | 0.0000 | |
| 373 | E | C | -0.9296 | |
| 374 | R | C | -1.1139 | |
| 375 | F | C | 0.0000 | |
| 376 | G | C | 0.0000 | |
| 377 | T | C | 0.0000 | |
| 378 | V | C | 0.0000 | |
| 379 | A | C | 0.0000 | |
| 380 | V | C | -0.1671 | |
| 381 | N | C | -0.3500 | |
| 382 | F | C | 0.1226 | |
| 383 | Q | C | 0.0000 | |
| 384 | S | C | -0.9399 | |
| 385 | S | C | -1.1633 | |
| 386 | S | C | -0.9253 | |
| 387 | T | C | -1.1112 | |
| 388 | D | C | -1.9954 | |
| 389 | P | C | -0.9184 | |
| 390 | A | C | -0.3567 | |
| 391 | T | C | -0.3871 | |
| 392 | G | C | -0.9232 | |
| 393 | D | C | -1.9280 | |
| 394 | V | C | 0.0000 | |
| 395 | H | C | -0.7538 | |
| 396 | A | C | -0.2804 | |
| 397 | M | C | 0.0000 | |
| 398 | G | C | 0.0000 | |
| 399 | A | C | 0.0000 | |
| 400 | L | C | 0.0000 | |
| 401 | P | C | 0.0000 | |
| 402 | G | C | 0.0000 | |
| 403 | M | C | 0.0000 | |
| 404 | V | C | 0.0000 | |
| 405 | W | C | 0.0000 | |
| 406 | Q | C | 0.0000 | |
| 407 | D | C | -0.4351 | |
| 408 | R | C | 0.0000 | |
| 409 | D | C | 0.0000 | |
| 410 | V | C | 0.0000 | |
| 411 | Y | C | 0.0000 | |
| 412 | L | C | 0.0000 | |
| 413 | Q | C | 0.0000 | |
| 414 | G | C | 0.0000 | |
| 415 | P | C | 0.0000 | |
| 416 | I | C | 0.0000 | |
| 417 | W | C | 0.0000 | |
| 418 | A | C | 0.0000 | |
| 419 | K | C | 0.0000 | |
| 420 | I | C | 0.0000 | |
| 421 | P | C | 0.0000 | |
| 422 | H | C | -0.5063 | |
| 423 | T | C | -0.4540 | |
| 424 | D | C | -0.6733 | |
| 425 | G | C | 0.0000 | |
| 426 | H | C | -0.5808 | |
| 427 | F | C | 0.0000 | |
| 428 | H | C | -0.4691 | |
| 429 | P | C | -0.3878 | |
| 430 | S | C | -0.3333 | |
| 431 | P | C | 0.0000 | |
| 432 | L | C | 0.0000 | |
| 433 | M | C | 0.0000 | |
| 434 | G | C | 0.0000 | |
| 435 | G | C | -0.1258 | |
| 436 | F | C | 0.0000 | |
| 437 | G | C | -0.5238 | |
| 438 | L | C | 0.0000 | |
| 439 | K | C | -1.3829 | |
| 440 | N | C | -1.7319 | |
| 441 | P | C | 0.0000 | |
| 442 | P | C | 0.0000 | |
| 443 | P | C | 0.0000 | |
| 444 | Q | C | 0.0000 | |
| 445 | I | C | 0.0000 | |
| 446 | L | C | 0.0000 | |
| 447 | I | C | 0.0000 | |
| 448 | K | C | 0.0000 | |
| 449 | N | C | 0.0000 | |
| 450 | T | C | 0.1506 | |
| 451 | P | C | 0.0659 | |
| 452 | V | C | 0.4621 | |
| 453 | P | C | 0.1339 | |
| 454 | A | C | -0.2544 | |
| 455 | N | C | -1.3055 | |
| 456 | P | C | -0.9116 | |
| 457 | P | C | -0.8434 | |
| 458 | A | C | -0.7460 | |
| 459 | E | C | -1.0195 | |
| 460 | F | C | 0.8778 | |
| 461 | S | C | 0.0286 | |
| 462 | A | C | 0.0433 | |
| 463 | T | C | -0.5122 | |
| 464 | K | C | -1.4502 | |
| 465 | F | C | -0.2560 | |
| 466 | A | C | -0.2252 | |
| 467 | S | C | -0.2755 | |
| 468 | F | C | 0.3470 | |
| 469 | I | C | 0.6732 | |
| 470 | T | C | 0.2633 | |
| 471 | Q | C | 0.0000 | |
| 472 | Y | C | 0.4023 | |
| 473 | S | C | 0.0000 | |
| 474 | T | C | 0.0340 | |
| 475 | G | C | 0.0000 | |
| 476 | Q | C | -0.3603 | |
| 477 | V | C | 0.0000 | |
| 478 | S | C | -0.7683 | |
| 479 | V | C | 0.0000 | |
| 480 | E | C | -1.3603 | |
| 481 | I | C | 0.0000 | |
| 482 | E | C | 0.0000 | |
| 483 | W | C | 0.0000 | |
| 484 | E | C | -1.5092 | |
| 485 | L | C | 0.0000 | |
| 486 | Q | C | -1.9474 | |
| 487 | K | C | -2.5241 | |
| 488 | E | C | -2.2792 | |
| 489 | N | C | -2.0809 | |
| 490 | S | C | -1.1781 | |
| 491 | K | C | -0.1412 | |
| 492 | R | C | 0.0000 | |
| 493 | W | C | 1.1366 | |
| 494 | N | C | 0.0533 | |
| 495 | P | C | -0.3066 | |
| 496 | E | C | -0.3502 | |
| 497 | V | C | -0.0087 | |
| 498 | Q | C | -0.5965 | |
| 499 | Y | C | -0.4749 | |
| 500 | T | C | -0.5578 | |
| 501 | S | C | -0.6566 | |
| 502 | N | C | -0.8883 | |
| 503 | Y | C | 0.2862 | |
| 504 | A | C | -0.4137 | |
| 505 | K | C | -1.6169 | |
| 506 | S | C | -1.0939 | |
| 507 | A | C | -0.7863 | |
| 508 | N | C | -0.9811 | |
| 509 | V | C | 0.4832 | |
| 510 | D | C | -0.4435 | |
| 511 | F | C | -0.1072 | |
| 512 | T | C | 0.4892 | |
| 513 | V | C | 0.4491 | |
| 514 | D | C | -0.9913 | |
| 515 | N | C | -2.0436 | |
| 516 | N | C | -1.8145 | |
| 517 | G | C | -0.8733 | |
| 518 | L | C | -0.1460 | |
| 519 | Y | C | -0.0127 | |
| 520 | T | C | -0.2967 | |
| 521 | E | C | -0.9463 | |
| 522 | P | C | -0.8746 | |
| 523 | R | C | -1.0503 | |
| 524 | P | C | -0.6192 | |
| 525 | I | C | 0.0000 | |
| 526 | G | C | -0.2830 | |
| 527 | T | C | 0.0000 | |
| 528 | R | C | 0.0000 | |
| 529 | Y | C | 0.0010 | |
| 530 | L | C | 0.0000 | |
| 531 | T | C | 0.0000 | |
| 532 | R | C | -0.5384 | |
| 533 | P | C | 0.0000 | |
| 534 | 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 | -0.1563 | 4.4406 | View | CSV | PDB |
| 4.5 | -0.192 | 4.3216 | View | CSV | PDB |
| 5.0 | -0.2344 | 4.1402 | View | CSV | PDB |
| 5.5 | -0.2775 | 3.9642 | View | CSV | PDB |
| 6.0 | -0.3153 | 3.9627 | View | CSV | PDB |
| 6.5 | -0.3438 | 3.9701 | View | CSV | PDB |
| 7.0 | -0.3629 | 3.9849 | View | CSV | PDB |
| 7.5 | -0.3754 | 4.0037 | View | CSV | PDB |
| 8.0 | -0.3835 | 4.0241 | View | CSV | PDB |
| 8.5 | -0.3868 | 4.0448 | View | CSV | PDB |
| 9.0 | -0.3836 | 4.065 | View | CSV | PDB |