| 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] (00:00:01)
[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. (00:00:10)
[INFO] FoldX: Starting FoldX energy minimization (00:00:10)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:06:34)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/7072a4683100ff/tmp/folded.pdb (00:06:34)
[INFO] Main: Simulation completed successfully. (00:20:58)
|
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 | -2.1633 | |
| 18 | G | A | -1.0722 | |
| 19 | V | A | 0.4502 | |
| 20 | G | A | -0.5348 | |
| 21 | N | A | -1.5096 | |
| 22 | A | A | -1.1557 | |
| 23 | S | A | -1.2657 | |
| 24 | G | A | -1.0593 | |
| 25 | N | A | -1.0936 | |
| 26 | W | A | -0.2587 | |
| 27 | H | A | -1.1545 | |
| 28 | C | A | -0.9217 | |
| 29 | D | A | -1.7506 | |
| 30 | S | A | -0.7990 | |
| 31 | T | A | -0.0888 | |
| 32 | W | A | 0.1066 | |
| 33 | L | A | 0.3004 | |
| 34 | G | A | -1.0775 | |
| 35 | D | A | -2.1977 | |
| 36 | R | A | -1.0773 | |
| 37 | V | A | 0.0000 | |
| 38 | I | A | -0.2109 | |
| 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 | 0.4032 | |
| 45 | W | A | 0.0000 | |
| 46 | A | A | 0.6930 | |
| 47 | L | A | 0.0000 | |
| 48 | P | A | 0.0984 | |
| 49 | T | A | -0.1962 | |
| 50 | Y | A | -0.1214 | |
| 51 | N | A | -0.5458 | |
| 52 | N | A | -0.9310 | |
| 53 | H | A | -0.2037 | |
| 54 | L | A | 0.3440 | |
| 55 | Y | A | -0.0769 | |
| 56 | K | A | -1.0288 | |
| 57 | Q | A | -1.1966 | |
| 58 | I | A | -0.3201 | |
| 59 | S | A | -0.3961 | |
| 60 | S | A | 0.0000 | |
| 61 | A | A | -0.3613 | |
| 62 | S | A | -0.3209 | |
| 63 | T | A | -0.4388 | |
| 64 | G | A | -0.7715 | |
| 65 | A | A | -0.7983 | |
| 66 | S | A | -1.0931 | |
| 67 | N | A | -1.7475 | |
| 68 | D | A | -1.1675 | |
| 69 | N | A | -0.9045 | |
| 70 | H | A | -0.9760 | |
| 71 | Y | A | -0.3191 | |
| 72 | F | A | -0.1931 | |
| 73 | G | A | 0.0000 | |
| 74 | Y | A | -0.2998 | |
| 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 | -0.2290 | |
| 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 | -1.0446 | |
| 92 | P | A | -1.4102 | |
| 93 | R | A | -2.4893 | |
| 94 | D | A | -1.7596 | |
| 95 | W | A | 0.0000 | |
| 96 | Q | A | -2.0355 | |
| 97 | R | A | -2.3457 | |
| 98 | L | A | 0.0000 | |
| 99 | I | A | 0.0000 | |
| 100 | N | A | 0.0000 | |
| 101 | N | A | -1.6902 | |
| 102 | N | A | 0.0000 | |
| 103 | W | A | -0.8485 | |
| 104 | G | A | 0.0000 | |
| 105 | F | A | 0.0000 | |
| 106 | R | A | -0.8410 | |
| 107 | P | A | 0.0000 | |
| 108 | K | A | -1.9341 | |
| 109 | R | A | -2.4638 | |
| 110 | L | A | 0.0000 | |
| 111 | N | A | -1.4442 | |
| 112 | F | A | 0.0000 | |
| 113 | K | A | -0.7524 | |
| 114 | L | A | 0.0000 | |
| 115 | F | A | 0.0000 | |
| 116 | N | A | -1.0487 | |
| 117 | I | A | 0.0000 | |
| 118 | Q | A | -1.0127 | |
| 119 | V | A | 0.0000 | |
| 120 | K | A | -0.4557 | |
| 121 | E | A | -0.1194 | |
| 122 | V | A | 0.4520 | |
| 123 | T | A | 0.2973 | |
| 124 | T | A | -0.4265 | |
| 125 | N | A | -1.7416 | |
| 126 | D | A | -2.0979 | |
| 127 | G | A | -0.9397 | |
| 128 | V | A | 0.4916 | |
| 129 | T | A | 0.5076 | |
| 130 | T | A | 0.8796 | |
| 131 | I | A | 1.3651 | |
| 132 | A | A | 0.1327 | |
| 133 | N | A | -1.0472 | |
| 134 | N | A | -0.6239 | |
| 135 | L | A | 0.2227 | |
| 136 | T | A | -0.0361 | |
| 137 | S | A | 0.0000 | |
| 138 | T | A | -0.5679 | |
| 139 | V | A | 0.0000 | |
| 140 | Q | A | -0.5380 | |
| 141 | V | A | 0.0000 | |
| 142 | F | A | 0.0000 | |
| 143 | S | A | -0.4879 | |
| 144 | D | A | 0.0000 | |
| 145 | S | A | -1.2451 | |
| 146 | E | A | -2.2671 | |
| 147 | Y | A | 0.0000 | |
| 148 | Q | A | -1.0276 | |
| 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 | -0.1667 | |
| 156 | A | A | 0.0000 | |
| 157 | H | A | 0.0000 | |
| 158 | Q | A | -0.6450 | |
| 159 | G | A | -0.1411 | |
| 160 | C | A | -0.0319 | |
| 161 | L | A | 0.0000 | |
| 162 | P | A | 0.0875 | |
| 163 | P | A | -0.0398 | |
| 164 | F | A | 0.6430 | |
| 165 | P | A | 0.0379 | |
| 166 | A | A | -0.2073 | |
| 167 | D | A | -0.6600 | |
| 168 | V | A | 1.1872 | |
| 169 | F | A | 0.0000 | |
| 170 | M | A | 1.3868 | |
| 171 | I | A | 0.0000 | |
| 172 | P | A | 0.0000 | |
| 173 | Q | A | 0.1539 | |
| 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 | 0.0000 | |
| 180 | N | A | 0.0000 | |
| 181 | N | A | -1.2011 | |
| 182 | G | A | -1.0659 | |
| 183 | S | A | -0.9308 | |
| 184 | Q | A | -1.1964 | |
| 185 | A | A | -0.5267 | |
| 186 | V | A | -0.1549 | |
| 187 | G | A | -0.3440 | |
| 188 | R | A | -0.3179 | |
| 189 | S | A | 0.0000 | |
| 190 | S | A | 0.0000 | |
| 191 | F | A | 0.3718 | |
| 192 | Y | A | 0.0000 | |
| 193 | C | A | 0.3612 | |
| 194 | L | A | 0.0000 | |
| 195 | E | A | -0.8321 | |
| 196 | Y | A | 0.7291 | |
| 197 | F | A | 0.0000 | |
| 198 | P | A | -0.4426 | |
| 199 | S | A | -0.6599 | |
| 200 | Q | A | -1.0075 | |
| 201 | M | A | -0.2727 | |
| 202 | L | A | 0.0000 | |
| 203 | R | A | -1.5584 | |
| 204 | T | A | -1.3312 | |
| 205 | G | A | -1.5399 | |
| 206 | N | A | -1.9521 | |
| 207 | N | A | -1.3407 | |
| 208 | F | A | -0.4709 | |
| 209 | T | A | -0.3388 | |
| 210 | F | A | -0.1270 | |
| 211 | S | A | -0.7850 | |
| 212 | Y | A | -0.8886 | |
| 213 | T | A | -1.4874 | |
| 214 | F | A | 0.0000 | |
| 215 | E | A | -2.0889 | |
| 216 | E | A | -2.1234 | |
| 217 | V | A | 0.0000 | |
| 218 | P | A | -0.5532 | |
| 219 | F | A | -0.0571 | |
| 220 | H | A | 0.0000 | |
| 221 | S | A | 0.0000 | |
| 222 | S | A | 0.0000 | |
| 223 | Y | A | -0.0475 | |
| 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 | 0.1764 | |
| 233 | M | A | 0.0000 | |
| 234 | N | A | 0.0000 | |
| 235 | P | A | 0.0000 | |
| 236 | L | A | 0.4860 | |
| 237 | I | A | 0.0524 | |
| 238 | D | A | -0.5612 | |
| 239 | Q | A | 0.0000 | |
| 240 | Y | A | 0.0000 | |
| 241 | L | A | 0.0000 | |
| 242 | Y | A | 0.0000 | |
| 243 | Y | A | -0.0334 | |
| 244 | L | A | 0.0000 | |
| 245 | N | A | -0.5664 | |
| 246 | R | A | -1.0549 | |
| 247 | T | A | 0.0000 | |
| 248 | Q | A | -2.3436 | |
| 249 | N | A | -2.4611 | |
| 250 | Q | A | -2.2921 | |
| 251 | S | A | -1.5243 | |
| 252 | G | A | -1.4382 | |
| 253 | S | A | -1.1001 | |
| 254 | A | A | -1.4535 | |
| 255 | Q | A | -2.7496 | |
| 256 | N | A | -2.9681 | |
| 257 | K | A | -2.4747 | |
| 258 | D | A | -1.8516 | |
| 259 | L | A | 0.0000 | |
| 260 | L | A | -0.6682 | |
| 261 | F | A | 0.0000 | |
| 262 | S | A | 0.0000 | |
| 263 | R | A | -0.6157 | |
| 264 | G | A | 0.0000 | |
| 265 | S | A | -0.2636 | |
| 266 | P | A | -0.0533 | |
| 267 | A | A | -0.1257 | |
| 268 | G | A | -0.1822 | |
| 269 | M | A | 0.0000 | |
| 270 | S | A | 0.0000 | |
| 271 | V | A | 0.0643 | |
| 272 | Q | A | 0.0000 | |
| 273 | P | A | 0.0000 | |
| 274 | K | A | -0.1291 | |
| 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 | -0.1391 | |
| 287 | V | A | 0.0000 | |
| 288 | S | A | 0.0000 | |
| 289 | K | A | -1.4419 | |
| 290 | T | A | -1.0969 | |
| 291 | K | A | -1.5949 | |
| 292 | T | A | -1.2099 | |
| 293 | D | A | -1.2582 | |
| 294 | N | A | 0.0000 | |
| 295 | N | A | 0.0000 | |
| 296 | N | A | -2.4906 | |
| 297 | S | A | -1.8386 | |
| 298 | N | A | -1.5462 | |
| 299 | F | A | 0.0000 | |
| 300 | T | A | 0.0000 | |
| 301 | W | A | 0.1511 | |
| 302 | T | A | -0.0013 | |
| 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 | 0.0000 | |
| 309 | L | A | 0.0000 | |
| 310 | N | A | -0.6699 | |
| 311 | G | A | -0.7617 | |
| 312 | R | A | 0.0000 | |
| 313 | E | A | -0.5354 | |
| 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 | -0.0737 | |
| 322 | M | A | 0.0000 | |
| 323 | A | A | 0.0000 | |
| 324 | S | A | 0.0000 | |
| 325 | H | A | 0.0000 | |
| 326 | K | A | -1.9128 | |
| 327 | D | A | -2.2064 | |
| 328 | D | A | -2.9436 | |
| 329 | E | A | -2.6510 | |
| 330 | D | A | -3.3593 | |
| 331 | K | A | -2.4181 | |
| 332 | F | A | -1.5232 | |
| 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 | -1.3718 | |
| 343 | K | A | -2.2986 | |
| 344 | E | A | -2.3042 | |
| 345 | S | A | -1.7103 | |
| 346 | A | A | 0.0000 | |
| 347 | G | A | -0.9176 | |
| 348 | A | A | -0.5135 | |
| 349 | S | A | -0.5419 | |
| 350 | N | A | -0.7240 | |
| 351 | T | A | 0.0000 | |
| 352 | A | A | -0.6660 | |
| 353 | L | A | -0.8513 | |
| 354 | D | A | -1.9204 | |
| 355 | N | A | -1.7620 | |
| 356 | V | A | 0.0000 | |
| 357 | M | A | 0.0000 | |
| 358 | I | A | -0.2336 | |
| 359 | T | A | 0.0000 | |
| 360 | D | A | -1.3915 | |
| 361 | E | A | 0.0000 | |
| 362 | E | A | -1.5813 | |
| 363 | E | A | -0.8570 | |
| 364 | I | A | 0.0000 | |
| 365 | K | A | -0.6809 | |
| 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 | -0.8195 | |
| 374 | R | A | -0.9560 | |
| 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 | -0.0942 | |
| 381 | N | A | -0.1823 | |
| 382 | F | A | 0.1187 | |
| 383 | Q | A | 0.0000 | |
| 384 | S | A | -1.0151 | |
| 385 | S | A | -1.2788 | |
| 386 | S | A | -0.9736 | |
| 387 | T | A | -1.1285 | |
| 388 | D | A | -2.0301 | |
| 389 | P | A | -0.9245 | |
| 390 | A | A | -0.3377 | |
| 391 | T | A | -0.3159 | |
| 392 | G | A | -0.7762 | |
| 393 | D | A | -1.5849 | |
| 394 | V | A | 0.0000 | |
| 395 | H | A | -0.6703 | |
| 396 | A | A | -0.2480 | |
| 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 | -0.4426 | |
| 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 | -0.7792 | |
| 423 | T | A | -0.5102 | |
| 424 | D | A | -0.6582 | |
| 425 | G | A | 0.0000 | |
| 426 | H | A | -0.7120 | |
| 427 | F | A | 0.0000 | |
| 428 | H | A | -0.4992 | |
| 429 | P | A | -0.5167 | |
| 430 | S | A | -0.3534 | |
| 431 | P | A | 0.0000 | |
| 432 | L | A | 0.0000 | |
| 433 | M | A | 0.0000 | |
| 434 | G | A | 0.0000 | |
| 435 | G | A | -0.1334 | |
| 436 | F | A | 0.0000 | |
| 437 | G | A | -0.6838 | |
| 438 | L | A | 0.0000 | |
| 439 | K | A | -2.1867 | |
| 440 | N | A | -2.1243 | |
| 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 | 0.1535 | |
| 451 | P | A | 0.0138 | |
| 452 | V | A | 0.3343 | |
| 453 | P | A | 0.0586 | |
| 454 | A | A | -0.3285 | |
| 455 | N | A | -1.3309 | |
| 456 | P | A | -0.9139 | |
| 457 | P | A | -0.8400 | |
| 458 | A | A | -0.7492 | |
| 459 | E | A | -1.0118 | |
| 460 | F | A | 0.8914 | |
| 461 | S | A | 0.0388 | |
| 462 | A | A | 0.0367 | |
| 463 | T | A | -0.5175 | |
| 464 | K | A | -1.4659 | |
| 465 | F | A | -0.3037 | |
| 466 | A | A | -0.2460 | |
| 467 | S | A | -0.3500 | |
| 468 | F | A | 0.2049 | |
| 469 | I | A | 0.4251 | |
| 470 | T | A | 0.0985 | |
| 471 | Q | A | 0.0000 | |
| 472 | Y | A | 0.2968 | |
| 473 | S | A | 0.0000 | |
| 474 | T | A | 0.0425 | |
| 475 | G | A | 0.0000 | |
| 476 | Q | A | -0.2560 | |
| 477 | V | A | 0.0000 | |
| 478 | S | A | -0.5986 | |
| 479 | V | A | 0.0000 | |
| 480 | E | A | -1.3553 | |
| 481 | I | A | 0.0000 | |
| 482 | E | A | -1.1830 | |
| 483 | W | A | 0.0000 | |
| 484 | E | A | -1.3159 | |
| 485 | L | A | 0.0000 | |
| 486 | Q | A | -1.8591 | |
| 487 | K | A | -2.4497 | |
| 488 | E | A | -2.2270 | |
| 489 | N | A | -2.3398 | |
| 490 | S | A | -1.3070 | |
| 491 | K | A | -0.4035 | |
| 492 | R | A | 0.0000 | |
| 493 | W | A | 1.1427 | |
| 494 | N | A | 0.0653 | |
| 495 | P | A | -0.3145 | |
| 496 | E | A | -0.3539 | |
| 497 | V | A | -0.0267 | |
| 498 | Q | A | -0.6510 | |
| 499 | Y | A | -0.5065 | |
| 500 | T | A | -0.4036 | |
| 501 | S | A | -0.6926 | |
| 502 | N | A | -0.8871 | |
| 503 | Y | A | 0.2932 | |
| 504 | A | A | -0.5795 | |
| 505 | K | A | -1.6197 | |
| 506 | S | A | -1.0921 | |
| 507 | A | A | -0.7906 | |
| 508 | N | A | -0.9885 | |
| 509 | V | A | 0.4619 | |
| 510 | D | A | -0.4925 | |
| 511 | F | A | -0.1123 | |
| 512 | T | A | 0.4986 | |
| 513 | V | A | 0.4836 | |
| 514 | D | A | -1.0378 | |
| 515 | N | A | -2.0603 | |
| 516 | N | A | -1.8267 | |
| 517 | G | A | -1.0559 | |
| 518 | L | A | -0.1498 | |
| 519 | Y | A | 0.0182 | |
| 520 | T | A | -0.2613 | |
| 521 | E | A | -0.9173 | |
| 522 | P | A | -0.8714 | |
| 523 | R | A | -1.0199 | |
| 524 | P | A | -0.6126 | |
| 525 | I | A | 0.0000 | |
| 526 | G | A | -0.2743 | |
| 527 | T | A | 0.0000 | |
| 528 | R | A | 0.0000 | |
| 529 | Y | A | 0.0095 | |
| 530 | L | A | 0.0000 | |
| 531 | T | A | 0.0000 | |
| 532 | R | A | -0.5543 | |
| 533 | P | A | 0.0000 | |
| 534 | L | A | 0.0000 | |
| 17 | D | B | -2.1509 | |
| 18 | G | B | -1.0647 | |
| 19 | V | B | 0.4548 | |
| 20 | G | B | -0.5331 | |
| 21 | N | B | -1.5027 | |
| 22 | A | B | -1.1563 | |
| 23 | S | B | -1.2910 | |
| 24 | G | B | -1.0958 | |
| 25 | N | B | -1.1179 | |
| 26 | W | B | -0.3007 | |
| 27 | H | B | -1.2008 | |
| 28 | C | B | -1.0194 | |
| 29 | D | B | -1.8086 | |
| 30 | S | B | -0.8246 | |
| 31 | T | B | -0.0803 | |
| 32 | W | B | 0.0996 | |
| 33 | L | B | 0.3469 | |
| 34 | G | B | -1.0467 | |
| 35 | D | B | -2.1749 | |
| 36 | R | B | -1.0867 | |
| 37 | V | B | 0.0000 | |
| 38 | I | B | -0.2197 | |
| 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 | 0.6319 | |
| 45 | W | B | 0.0000 | |
| 46 | A | B | 0.7054 | |
| 47 | L | B | 0.0000 | |
| 48 | P | B | 0.0976 | |
| 49 | T | B | -0.2375 | |
| 50 | Y | B | -0.2236 | |
| 51 | N | B | -0.6913 | |
| 52 | N | B | -1.0907 | |
| 53 | H | B | -0.3374 | |
| 54 | L | B | 0.1087 | |
| 55 | Y | B | -0.2098 | |
| 56 | K | B | -1.1498 | |
| 57 | Q | B | -1.2773 | |
| 58 | I | B | -0.3799 | |
| 59 | S | B | -0.4752 | |
| 60 | S | B | 0.0000 | |
| 61 | A | B | -0.3809 | |
| 62 | S | B | -0.3169 | |
| 63 | T | B | -0.4365 | |
| 64 | G | B | -0.7692 | |
| 65 | A | B | -0.7960 | |
| 66 | S | B | -1.0930 | |
| 67 | N | B | -1.7588 | |
| 68 | D | B | -1.1961 | |
| 69 | N | B | -0.9078 | |
| 70 | H | B | -1.0174 | |
| 71 | Y | B | -0.3782 | |
| 72 | F | B | 0.0000 | |
| 73 | G | B | 0.0000 | |
| 74 | Y | B | -0.3705 | |
| 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 | -0.2285 | |
| 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 | -1.0730 | |
| 92 | P | B | -1.4188 | |
| 93 | R | B | -2.4666 | |
| 94 | D | B | -1.7816 | |
| 95 | W | B | 0.0000 | |
| 96 | Q | B | -1.9112 | |
| 97 | R | B | -2.5166 | |
| 98 | L | B | 0.0000 | |
| 99 | I | B | 0.0000 | |
| 100 | N | B | -1.2463 | |
| 101 | N | B | -1.8850 | |
| 102 | N | B | 0.0000 | |
| 103 | W | B | -0.9034 | |
| 104 | G | B | 0.0000 | |
| 105 | F | B | 0.0000 | |
| 106 | R | B | -0.9052 | |
| 107 | P | B | 0.0000 | |
| 108 | K | B | -2.0987 | |
| 109 | R | B | -2.3979 | |
| 110 | L | B | 0.0000 | |
| 111 | N | B | -1.2176 | |
| 112 | F | B | 0.0000 | |
| 113 | K | B | -0.8147 | |
| 114 | L | B | 0.0000 | |
| 115 | F | B | 0.0000 | |
| 116 | N | B | -1.0731 | |
| 117 | I | B | 0.0000 | |
| 118 | Q | B | -1.0072 | |
| 119 | V | B | 0.0000 | |
| 120 | K | B | -0.4308 | |
| 121 | E | B | -0.0950 | |
| 122 | V | B | 0.5007 | |
| 123 | T | B | 0.3370 | |
| 124 | T | B | -0.3983 | |
| 125 | N | B | -1.7299 | |
| 126 | D | B | -2.0945 | |
| 127 | G | B | -0.9320 | |
| 128 | V | B | 0.5008 | |
| 129 | T | B | 0.5416 | |
| 130 | T | B | 0.9234 | |
| 131 | I | B | 1.4399 | |
| 132 | A | B | 0.1646 | |
| 133 | N | B | -1.0434 | |
| 134 | N | B | -0.6259 | |
| 135 | L | B | 0.1983 | |
| 136 | T | B | -0.0484 | |
| 137 | S | B | 0.0000 | |
| 138 | T | B | -0.5567 | |
| 139 | V | B | 0.0000 | |
| 140 | Q | B | -0.5065 | |
| 141 | V | B | 0.0000 | |
| 142 | F | B | 0.0000 | |
| 143 | S | B | -0.4722 | |
| 144 | D | B | 0.0000 | |
| 145 | S | B | -1.2020 | |
| 146 | E | B | -2.2670 | |
| 147 | Y | B | -1.3526 | |
| 148 | Q | B | -1.0836 | |
| 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 | -0.1026 | |
| 155 | S | B | -0.1257 | |
| 156 | A | B | 0.0000 | |
| 157 | H | B | 0.0000 | |
| 158 | Q | B | -0.4552 | |
| 159 | G | B | -0.0500 | |
| 160 | C | B | 0.0078 | |
| 161 | L | B | 0.0000 | |
| 162 | P | B | 0.0000 | |
| 163 | P | B | 0.2272 | |
| 164 | F | B | 1.1129 | |
| 165 | P | B | 0.4491 | |
| 166 | A | B | 0.4272 | |
| 167 | D | B | 0.5817 | |
| 168 | V | B | 1.7912 | |
| 169 | F | B | 0.0000 | |
| 170 | M | B | 1.3890 | |
| 171 | I | B | 0.0000 | |
| 172 | P | B | 0.0000 | |
| 173 | Q | B | 0.1303 | |
| 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 | 0.0580 | |
| 180 | N | B | 0.0000 | |
| 181 | N | B | -1.1536 | |
| 182 | G | B | -1.0937 | |
| 183 | S | B | -0.9825 | |
| 184 | Q | B | -1.1504 | |
| 185 | A | B | -0.3695 | |
| 186 | V | B | 0.2004 | |
| 187 | G | B | -0.1432 | |
| 188 | R | B | -0.1370 | |
| 189 | S | B | 0.0000 | |
| 190 | S | B | 0.0000 | |
| 191 | F | B | 0.4052 | |
| 192 | Y | B | 0.0000 | |
| 193 | C | B | 0.4348 | |
| 194 | L | B | 0.0000 | |
| 195 | E | B | -0.6264 | |
| 196 | Y | B | 0.8252 | |
| 197 | F | B | 0.0000 | |
| 198 | P | B | -0.4047 | |
| 199 | S | B | -0.6250 | |
| 200 | Q | B | -1.0353 | |
| 201 | M | B | -0.2817 | |
| 202 | L | B | 0.0000 | |
| 203 | R | B | -1.5389 | |
| 204 | T | B | -1.3205 | |
| 205 | G | B | -1.5208 | |
| 206 | N | B | -1.9456 | |
| 207 | N | B | -1.4480 | |
| 208 | F | B | 0.0000 | |
| 209 | T | B | -0.4195 | |
| 210 | F | B | -0.1268 | |
| 211 | S | B | -0.6873 | |
| 212 | Y | B | -0.7366 | |
| 213 | T | B | -1.4777 | |
| 214 | F | B | 0.0000 | |
| 215 | E | B | -2.1319 | |
| 216 | E | B | -2.2092 | |
| 217 | V | B | 0.0000 | |
| 218 | P | B | -0.5674 | |
| 219 | F | B | -0.0702 | |
| 220 | H | B | 0.0000 | |
| 221 | S | B | 0.0000 | |
| 222 | S | B | 0.0000 | |
| 223 | Y | B | -0.0535 | |
| 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 | 0.1770 | |
| 233 | M | B | 0.0000 | |
| 234 | N | B | 0.0000 | |
| 235 | P | B | 0.0000 | |
| 236 | L | B | 0.4721 | |
| 237 | I | B | 0.0462 | |
| 238 | D | B | -0.5620 | |
| 239 | Q | B | 0.0000 | |
| 240 | Y | B | 0.0000 | |
| 241 | L | B | 0.0000 | |
| 242 | Y | B | 0.0000 | |
| 243 | Y | B | -0.0359 | |
| 244 | L | B | 0.0000 | |
| 245 | N | B | -0.5693 | |
| 246 | R | B | -1.0456 | |
| 247 | T | B | 0.0000 | |
| 248 | Q | B | -2.2899 | |
| 249 | N | B | -2.3651 | |
| 250 | Q | B | -2.2688 | |
| 251 | S | B | -1.5464 | |
| 252 | G | B | -1.3532 | |
| 253 | S | B | -1.0403 | |
| 254 | A | B | -1.4429 | |
| 255 | Q | B | -2.6935 | |
| 256 | N | B | -2.9059 | |
| 257 | K | B | -2.4048 | |
| 258 | D | B | -1.7969 | |
| 259 | L | B | 0.0000 | |
| 260 | L | B | -0.6540 | |
| 261 | F | B | 0.0000 | |
| 262 | S | B | 0.0000 | |
| 263 | R | B | -0.6152 | |
| 264 | G | B | 0.0000 | |
| 265 | S | B | -0.2657 | |
| 266 | P | B | -0.0570 | |
| 267 | A | B | -0.1260 | |
| 268 | G | B | -0.1831 | |
| 269 | M | B | 0.0000 | |
| 270 | S | B | 0.0000 | |
| 271 | V | B | 0.0590 | |
| 272 | Q | B | 0.0000 | |
| 273 | P | B | 0.0000 | |
| 274 | K | B | -0.1321 | |
| 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 | -0.1261 | |
| 287 | V | B | 0.0000 | |
| 288 | S | B | 0.0000 | |
| 289 | K | B | -1.5407 | |
| 290 | T | B | -1.2232 | |
| 291 | K | B | -1.8621 | |
| 292 | T | B | -1.3487 | |
| 293 | D | B | -1.3603 | |
| 294 | N | B | 0.0000 | |
| 295 | N | B | 0.0000 | |
| 296 | N | B | -2.5307 | |
| 297 | S | B | -1.8548 | |
| 298 | N | B | -1.5824 | |
| 299 | F | B | 0.0000 | |
| 300 | T | B | 0.0000 | |
| 301 | W | B | 0.1388 | |
| 302 | T | B | -0.0098 | |
| 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 | -0.5081 | |
| 309 | L | B | 0.0000 | |
| 310 | N | B | -0.8690 | |
| 311 | G | B | -0.9402 | |
| 312 | R | B | 0.0000 | |
| 313 | E | B | -0.6148 | |
| 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 | -0.0734 | |
| 322 | M | B | 0.0000 | |
| 323 | A | B | 0.0000 | |
| 324 | S | B | 0.0000 | |
| 325 | H | B | 0.0000 | |
| 326 | K | B | -1.9935 | |
| 327 | D | B | -2.2436 | |
| 328 | D | B | -2.8998 | |
| 329 | E | B | -2.5484 | |
| 330 | D | B | -3.2884 | |
| 331 | K | B | -2.2854 | |
| 332 | F | B | -1.4402 | |
| 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 | -1.3705 | |
| 343 | K | B | -2.3118 | |
| 344 | E | B | -2.3242 | |
| 345 | S | B | -1.7089 | |
| 346 | A | B | 0.0000 | |
| 347 | G | B | -0.9216 | |
| 348 | A | B | -0.4920 | |
| 349 | S | B | -0.5496 | |
| 350 | N | B | -0.7286 | |
| 351 | T | B | 0.0000 | |
| 352 | A | B | -0.6427 | |
| 353 | L | B | -0.8245 | |
| 354 | D | B | -1.8999 | |
| 355 | N | B | -1.7444 | |
| 356 | V | B | 0.0000 | |
| 357 | M | B | 0.0000 | |
| 358 | I | B | -0.2520 | |
| 359 | T | B | 0.0000 | |
| 360 | D | B | -1.4311 | |
| 361 | E | B | 0.0000 | |
| 362 | E | B | -1.6905 | |
| 363 | E | B | -0.9189 | |
| 364 | I | B | 0.0000 | |
| 365 | K | B | -0.7309 | |
| 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 | -0.8271 | |
| 374 | R | B | -0.9489 | |
| 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 | -0.0062 | |
| 381 | N | B | -0.0923 | |
| 382 | F | B | 0.2795 | |
| 383 | Q | B | 0.0000 | |
| 384 | S | B | -0.9236 | |
| 385 | S | B | -1.2084 | |
| 386 | S | B | -0.9347 | |
| 387 | T | B | -1.0789 | |
| 388 | D | B | -1.9804 | |
| 389 | P | B | -0.8659 | |
| 390 | A | B | -0.3198 | |
| 391 | T | B | -0.3177 | |
| 392 | G | B | -0.7796 | |
| 393 | D | B | -1.5787 | |
| 394 | V | B | 0.0000 | |
| 395 | H | B | -0.6610 | |
| 396 | A | B | -0.2413 | |
| 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 | -0.4383 | |
| 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 | -0.6578 | |
| 423 | T | B | -0.5031 | |
| 424 | D | B | -0.6966 | |
| 425 | G | B | 0.0000 | |
| 426 | H | B | -0.6278 | |
| 427 | F | B | 0.0000 | |
| 428 | H | B | -0.4717 | |
| 429 | P | B | -0.4304 | |
| 430 | S | B | -0.3338 | |
| 431 | P | B | 0.0000 | |
| 432 | L | B | 0.0000 | |
| 433 | M | B | 0.0000 | |
| 434 | G | B | 0.0000 | |
| 435 | G | B | -0.1322 | |
| 436 | F | B | 0.0000 | |
| 437 | G | B | -0.5917 | |
| 438 | L | B | 0.0000 | |
| 439 | K | B | -1.7369 | |
| 440 | N | B | -1.8830 | |
| 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 | 0.1641 | |
| 451 | P | B | 0.0201 | |
| 452 | V | B | 0.3295 | |
| 453 | P | B | 0.0524 | |
| 454 | A | B | -0.3336 | |
| 455 | N | B | -1.3346 | |
| 456 | P | B | -0.9140 | |
| 457 | P | B | -0.8412 | |
| 458 | A | B | -0.7507 | |
| 459 | E | B | -1.0149 | |
| 460 | F | B | 0.8917 | |
| 461 | S | B | 0.0361 | |
| 462 | A | B | 0.0361 | |
| 463 | T | B | -0.5185 | |
| 464 | K | B | -1.4641 | |
| 465 | F | B | -0.2941 | |
| 466 | A | B | -0.2633 | |
| 467 | S | B | -0.3429 | |
| 468 | F | B | 0.2150 | |
| 469 | I | B | 0.5499 | |
| 470 | T | B | 0.1102 | |
| 471 | Q | B | 0.0000 | |
| 472 | Y | B | 0.3575 | |
| 473 | S | B | 0.0000 | |
| 474 | T | B | 0.0481 | |
| 475 | G | B | 0.0000 | |
| 476 | Q | B | -0.3065 | |
| 477 | V | B | 0.0000 | |
| 478 | S | B | -0.6014 | |
| 479 | V | B | 0.0000 | |
| 480 | E | B | -1.2734 | |
| 481 | I | B | 0.0000 | |
| 482 | E | B | -1.1637 | |
| 483 | W | B | 0.0000 | |
| 484 | E | B | -1.3599 | |
| 485 | L | B | 0.0000 | |
| 486 | Q | B | -1.8881 | |
| 487 | K | B | -2.4916 | |
| 488 | E | B | -2.3445 | |
| 489 | N | B | -2.3853 | |
| 490 | S | B | -1.3112 | |
| 491 | K | B | -0.4005 | |
| 492 | R | B | 0.0000 | |
| 493 | W | B | 1.1552 | |
| 494 | N | B | 0.0700 | |
| 495 | P | B | -0.3297 | |
| 496 | E | B | -0.4217 | |
| 497 | V | B | -0.1326 | |
| 498 | Q | B | -0.7057 | |
| 499 | Y | B | -0.5086 | |
| 500 | T | B | -0.3517 | |
| 501 | S | B | -0.6317 | |
| 502 | N | B | -0.8854 | |
| 503 | Y | B | 0.3015 | |
| 504 | A | B | -0.5771 | |
| 505 | K | B | -1.6198 | |
| 506 | S | B | -1.1049 | |
| 507 | A | B | -0.8071 | |
| 508 | N | B | -1.0053 | |
| 509 | V | B | 0.4377 | |
| 510 | D | B | -0.5541 | |
| 511 | F | B | -0.0617 | |
| 512 | T | B | 0.5227 | |
| 513 | V | B | 0.4877 | |
| 514 | D | B | -1.1126 | |
| 515 | N | B | -2.1044 | |
| 516 | N | B | -1.8844 | |
| 517 | G | B | -1.0046 | |
| 518 | L | B | -0.1500 | |
| 519 | Y | B | 0.2138 | |
| 520 | T | B | -0.2696 | |
| 521 | E | B | -0.9434 | |
| 522 | P | B | -0.9043 | |
| 523 | R | B | -1.0916 | |
| 524 | P | B | -0.6503 | |
| 525 | I | B | 0.0000 | |
| 526 | G | B | -0.2512 | |
| 527 | T | B | 0.0000 | |
| 528 | R | B | 0.0000 | |
| 529 | Y | B | -0.0748 | |
| 530 | L | B | 0.0000 | |
| 531 | T | B | 0.0000 | |
| 532 | R | B | 0.0000 | |
| 533 | P | B | 0.0000 | |
| 534 | L | B | 0.0000 | |
| 17 | D | C | -2.1622 | |
| 18 | G | C | -1.0704 | |
| 19 | V | C | 0.4524 | |
| 20 | G | C | -0.5351 | |
| 21 | N | C | -1.5102 | |
| 22 | A | C | -1.1574 | |
| 23 | S | C | -1.2674 | |
| 24 | G | C | -1.0726 | |
| 25 | N | C | -1.1145 | |
| 26 | W | C | -0.3038 | |
| 27 | H | C | -1.1773 | |
| 28 | C | C | -0.9682 | |
| 29 | D | C | -1.7715 | |
| 30 | S | C | -0.8029 | |
| 31 | T | C | -0.0857 | |
| 32 | W | C | 0.1034 | |
| 33 | L | C | 0.3173 | |
| 34 | G | C | -1.0815 | |
| 35 | D | C | -2.2191 | |
| 36 | R | C | -1.1074 | |
| 37 | V | C | 0.0000 | |
| 38 | I | C | -0.2141 | |
| 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 | 0.3951 | |
| 45 | W | C | 0.0000 | |
| 46 | A | C | 0.7054 | |
| 47 | L | C | 0.0000 | |
| 48 | P | C | 0.1173 | |
| 49 | T | C | -0.2465 | |
| 50 | Y | C | -0.2241 | |
| 51 | N | C | -0.7841 | |
| 52 | N | C | -1.1059 | |
| 53 | H | C | -0.4547 | |
| 54 | L | C | -0.1264 | |
| 55 | Y | C | -0.2927 | |
| 56 | K | C | -1.2719 | |
| 57 | Q | C | -1.3302 | |
| 58 | I | C | -0.3980 | |
| 59 | S | C | -0.4909 | |
| 60 | S | C | 0.0000 | |
| 61 | A | C | -0.3880 | |
| 62 | S | C | -0.3168 | |
| 63 | T | C | -0.4347 | |
| 64 | G | C | -0.7677 | |
| 65 | A | C | -0.7988 | |
| 66 | S | C | -1.0964 | |
| 67 | N | C | -1.7722 | |
| 68 | D | C | -1.2082 | |
| 69 | N | C | -0.9114 | |
| 70 | H | C | -1.0240 | |
| 71 | Y | C | -0.3865 | |
| 72 | F | C | 0.0000 | |
| 73 | G | C | 0.0000 | |
| 74 | Y | C | -0.3857 | |
| 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 | -0.2327 | |
| 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 | -1.0597 | |
| 92 | P | C | -1.4388 | |
| 93 | R | C | -2.5353 | |
| 94 | D | C | -1.8105 | |
| 95 | W | C | 0.0000 | |
| 96 | Q | C | -2.1541 | |
| 97 | R | C | -2.4810 | |
| 98 | L | C | 0.0000 | |
| 99 | I | C | 0.0000 | |
| 100 | N | C | 0.0000 | |
| 101 | N | C | -1.8132 | |
| 102 | N | C | 0.0000 | |
| 103 | W | C | -0.9108 | |
| 104 | G | C | 0.0000 | |
| 105 | F | C | 0.0000 | |
| 106 | R | C | -0.8950 | |
| 107 | P | C | 0.0000 | |
| 108 | K | C | -2.0043 | |
| 109 | R | C | -2.4457 | |
| 110 | L | C | 0.0000 | |
| 111 | N | C | -1.4909 | |
| 112 | F | C | 0.0000 | |
| 113 | K | C | -0.8064 | |
| 114 | L | C | 0.0000 | |
| 115 | F | C | 0.0000 | |
| 116 | N | C | -1.0539 | |
| 117 | I | C | 0.0000 | |
| 118 | Q | C | -0.9990 | |
| 119 | V | C | 0.0000 | |
| 120 | K | C | -0.4820 | |
| 121 | E | C | -0.1695 | |
| 122 | V | C | 0.3683 | |
| 123 | T | C | 0.2377 | |
| 124 | T | C | -0.4564 | |
| 125 | N | C | -1.7401 | |
| 126 | D | C | -2.0940 | |
| 127 | G | C | -0.9359 | |
| 128 | V | C | 0.4955 | |
| 129 | T | C | 0.4640 | |
| 130 | T | C | 0.7805 | |
| 131 | I | C | 1.1624 | |
| 132 | A | C | 0.0312 | |
| 133 | N | C | -1.0890 | |
| 134 | N | C | -0.6381 | |
| 135 | L | C | 0.2305 | |
| 136 | T | C | -0.0343 | |
| 137 | S | C | 0.0000 | |
| 138 | T | C | -0.5636 | |
| 139 | V | C | 0.0000 | |
| 140 | Q | C | -0.5194 | |
| 141 | V | C | 0.0000 | |
| 142 | F | C | 0.0000 | |
| 143 | S | C | -0.4897 | |
| 144 | D | C | 0.0000 | |
| 145 | S | C | -1.2512 | |
| 146 | E | C | -2.3471 | |
| 147 | Y | C | 0.0000 | |
| 148 | Q | C | -1.1171 | |
| 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 | -0.1028 | |
| 155 | S | C | -0.1254 | |
| 156 | A | C | 0.0000 | |
| 157 | H | C | 0.0000 | |
| 158 | Q | C | -0.4592 | |
| 159 | G | C | -0.0534 | |
| 160 | C | C | -0.0005 | |
| 161 | L | C | 0.0000 | |
| 162 | P | C | 0.0963 | |
| 163 | P | C | -0.0447 | |
| 164 | F | C | 0.6332 | |
| 165 | P | C | 0.0377 | |
| 166 | A | C | -0.2058 | |
| 167 | D | C | -0.6659 | |
| 168 | V | C | 1.1868 | |
| 169 | F | C | 0.0000 | |
| 170 | M | C | 1.3872 | |
| 171 | I | C | 0.0000 | |
| 172 | P | C | 0.0000 | |
| 173 | Q | C | 0.1378 | |
| 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 | 0.0371 | |
| 180 | N | C | 0.0000 | |
| 181 | N | C | -1.1854 | |
| 182 | G | C | -1.1404 | |
| 183 | S | C | -1.0033 | |
| 184 | Q | C | -1.1681 | |
| 185 | A | C | -0.3911 | |
| 186 | V | C | 0.1731 | |
| 187 | G | C | -0.1825 | |
| 188 | R | C | -0.1653 | |
| 189 | S | C | 0.0000 | |
| 190 | S | C | 0.0000 | |
| 191 | F | C | 0.3994 | |
| 192 | Y | C | 0.0000 | |
| 193 | C | C | 0.3838 | |
| 194 | L | C | 0.0000 | |
| 195 | E | C | -0.8470 | |
| 196 | Y | C | 0.7237 | |
| 197 | F | C | 0.0000 | |
| 198 | P | C | -0.4465 | |
| 199 | S | C | -0.6650 | |
| 200 | Q | C | -1.0093 | |
| 201 | M | C | -0.2746 | |
| 202 | L | C | 0.0000 | |
| 203 | R | C | -1.5468 | |
| 204 | T | C | -1.3234 | |
| 205 | G | C | -1.5343 | |
| 206 | N | C | -1.9448 | |
| 207 | N | C | -1.3503 | |
| 208 | F | C | -0.4992 | |
| 209 | T | C | -0.3701 | |
| 210 | F | C | -0.1582 | |
| 211 | S | C | -0.7996 | |
| 212 | Y | C | -0.8966 | |
| 213 | T | C | -1.4947 | |
| 214 | F | C | 0.0000 | |
| 215 | E | C | -2.1364 | |
| 216 | E | C | -2.1525 | |
| 217 | V | C | 0.0000 | |
| 218 | P | C | -0.5617 | |
| 219 | F | C | -0.0940 | |
| 220 | H | C | 0.0000 | |
| 221 | S | C | 0.0000 | |
| 222 | S | C | 0.0000 | |
| 223 | Y | C | -0.0953 | |
| 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 | 0.1742 | |
| 233 | M | C | 0.0000 | |
| 234 | N | C | 0.0000 | |
| 235 | P | C | 0.0000 | |
| 236 | L | C | 0.4480 | |
| 237 | I | C | -0.0861 | |
| 238 | D | C | -0.8374 | |
| 239 | Q | C | 0.0000 | |
| 240 | Y | C | 0.0000 | |
| 241 | L | C | 0.0000 | |
| 242 | Y | C | 0.0000 | |
| 243 | Y | C | -0.0302 | |
| 244 | L | C | 0.0000 | |
| 245 | N | C | -0.5590 | |
| 246 | R | C | -1.0380 | |
| 247 | T | C | 0.0000 | |
| 248 | Q | C | -2.2707 | |
| 249 | N | C | -2.3859 | |
| 250 | Q | C | -2.2567 | |
| 251 | S | C | -1.5035 | |
| 252 | G | C | -1.4152 | |
| 253 | S | C | -1.0883 | |
| 254 | A | C | -1.4409 | |
| 255 | Q | C | -2.7248 | |
| 256 | N | C | -2.9126 | |
| 257 | K | C | -2.3852 | |
| 258 | D | C | -1.7724 | |
| 259 | L | C | 0.0000 | |
| 260 | L | C | -0.6717 | |
| 261 | F | C | 0.0000 | |
| 262 | S | C | 0.0000 | |
| 263 | R | C | -0.6473 | |
| 264 | G | C | 0.0000 | |
| 265 | S | C | -0.3578 | |
| 266 | P | C | -0.1022 | |
| 267 | A | C | -0.1519 | |
| 268 | G | C | -0.1790 | |
| 269 | M | C | 0.0000 | |
| 270 | S | C | 0.0000 | |
| 271 | V | C | 0.0653 | |
| 272 | Q | C | 0.0000 | |
| 273 | P | C | 0.0000 | |
| 274 | K | C | -0.1299 | |
| 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 | -0.0896 | |
| 287 | V | C | 0.0000 | |
| 288 | S | C | 0.0000 | |
| 289 | K | C | -1.7077 | |
| 290 | T | C | -1.3243 | |
| 291 | K | C | -1.8606 | |
| 292 | T | C | -1.3252 | |
| 293 | D | C | -1.3448 | |
| 294 | N | C | 0.0000 | |
| 295 | N | C | 0.0000 | |
| 296 | N | C | -2.3323 | |
| 297 | S | C | -1.7519 | |
| 298 | N | C | -1.5181 | |
| 299 | F | C | 0.0000 | |
| 300 | T | C | 0.0000 | |
| 301 | W | C | 0.1458 | |
| 302 | T | C | -0.0038 | |
| 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 | -0.5148 | |
| 309 | L | C | 0.0000 | |
| 310 | N | C | -0.9309 | |
| 311 | G | C | -1.0055 | |
| 312 | R | C | 0.0000 | |
| 313 | E | C | -0.6222 | |
| 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 | -0.0750 | |
| 322 | M | C | 0.0000 | |
| 323 | A | C | 0.0000 | |
| 324 | S | C | 0.0000 | |
| 325 | H | C | 0.0000 | |
| 326 | K | C | -1.7296 | |
| 327 | D | C | -2.0907 | |
| 328 | D | C | -2.9038 | |
| 329 | E | C | -2.6158 | |
| 330 | D | C | -3.4068 | |
| 331 | K | C | -2.5468 | |
| 332 | F | C | 0.0000 | |
| 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 | -1.3613 | |
| 343 | K | C | -2.2838 | |
| 344 | E | C | -2.3060 | |
| 345 | S | C | -1.7064 | |
| 346 | A | C | 0.0000 | |
| 347 | G | C | -0.9211 | |
| 348 | A | C | -0.4893 | |
| 349 | S | C | -0.5490 | |
| 350 | N | C | -0.7186 | |
| 351 | T | C | 0.0000 | |
| 352 | A | C | -0.6312 | |
| 353 | L | C | -0.9128 | |
| 354 | D | C | -1.8924 | |
| 355 | N | C | -1.7396 | |
| 356 | V | C | 0.0000 | |
| 357 | M | C | 0.0000 | |
| 358 | I | C | -0.2378 | |
| 359 | T | C | 0.0000 | |
| 360 | D | C | -1.4205 | |
| 361 | E | C | 0.0000 | |
| 362 | E | C | -1.6093 | |
| 363 | E | C | -0.8942 | |
| 364 | I | C | 0.0000 | |
| 365 | K | C | 0.0000 | |
| 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 | -0.5184 | |
| 374 | R | C | -0.7770 | |
| 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 | -0.0887 | |
| 381 | N | C | -0.2382 | |
| 382 | F | C | 0.0124 | |
| 383 | Q | C | 0.0000 | |
| 384 | S | C | -0.9998 | |
| 385 | S | C | -1.2396 | |
| 386 | S | C | -0.9676 | |
| 387 | T | C | -1.1498 | |
| 388 | D | C | -2.0483 | |
| 389 | P | C | -0.9428 | |
| 390 | A | C | -0.3592 | |
| 391 | T | C | -0.2557 | |
| 392 | G | C | -0.6419 | |
| 393 | D | C | -1.2751 | |
| 394 | V | C | 0.0000 | |
| 395 | H | C | -0.5609 | |
| 396 | A | C | -0.2147 | |
| 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 | -0.4270 | |
| 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 | -0.7284 | |
| 423 | T | C | -0.5017 | |
| 424 | D | C | -0.6906 | |
| 425 | G | C | 0.0000 | |
| 426 | H | C | -0.6569 | |
| 427 | F | C | 0.0000 | |
| 428 | H | C | -0.4987 | |
| 429 | P | C | -0.5127 | |
| 430 | S | C | -0.3387 | |
| 431 | P | C | 0.0000 | |
| 432 | L | C | 0.0000 | |
| 433 | M | C | 0.0000 | |
| 434 | G | C | 0.0000 | |
| 435 | G | C | -0.1389 | |
| 436 | F | C | 0.0000 | |
| 437 | G | C | -0.7190 | |
| 438 | L | C | 0.0000 | |
| 439 | K | C | -2.3225 | |
| 440 | N | C | -2.1979 | |
| 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 | 0.1568 | |
| 451 | P | C | -0.0019 | |
| 452 | V | C | 0.3168 | |
| 453 | P | C | 0.0332 | |
| 454 | A | C | -0.3529 | |
| 455 | N | C | -1.3398 | |
| 456 | P | C | -0.9298 | |
| 457 | P | C | -0.8476 | |
| 458 | A | C | -0.7550 | |
| 459 | E | C | -1.0198 | |
| 460 | F | C | 0.8788 | |
| 461 | S | C | 0.0107 | |
| 462 | A | C | 0.0218 | |
| 463 | T | C | -0.5340 | |
| 464 | K | C | -1.4853 | |
| 465 | F | C | -0.3395 | |
| 466 | A | C | -0.3202 | |
| 467 | S | C | -0.3708 | |
| 468 | F | C | 0.1698 | |
| 469 | I | C | 0.4025 | |
| 470 | T | C | 0.0947 | |
| 471 | Q | C | 0.0000 | |
| 472 | Y | C | 0.3431 | |
| 473 | S | C | 0.0000 | |
| 474 | T | C | 0.0547 | |
| 475 | G | C | 0.0000 | |
| 476 | Q | C | -0.2821 | |
| 477 | V | C | 0.0000 | |
| 478 | S | C | -0.6321 | |
| 479 | V | C | 0.0000 | |
| 480 | E | C | -1.3594 | |
| 481 | I | C | 0.0000 | |
| 482 | E | C | -1.2100 | |
| 483 | W | C | 0.0000 | |
| 484 | E | C | -1.3663 | |
| 485 | L | C | 0.0000 | |
| 486 | Q | C | -1.9535 | |
| 487 | K | C | -2.5345 | |
| 488 | E | C | -2.2874 | |
| 489 | N | C | -2.0351 | |
| 490 | S | C | -1.1722 | |
| 491 | K | C | -0.3324 | |
| 492 | R | C | 0.0000 | |
| 493 | W | C | 1.1426 | |
| 494 | N | C | 0.0663 | |
| 495 | P | C | -0.3196 | |
| 496 | E | C | -0.3682 | |
| 497 | V | C | -0.0695 | |
| 498 | Q | C | -0.6879 | |
| 499 | Y | C | -0.5465 | |
| 500 | T | C | -0.4195 | |
| 501 | S | C | -0.6961 | |
| 502 | N | C | -0.8854 | |
| 503 | Y | C | 0.2925 | |
| 504 | A | C | -0.5795 | |
| 505 | K | C | -1.6193 | |
| 506 | S | C | -1.0909 | |
| 507 | A | C | -0.7897 | |
| 508 | N | C | -0.9822 | |
| 509 | V | C | 0.4725 | |
| 510 | D | C | -0.4689 | |
| 511 | F | C | -0.0912 | |
| 512 | T | C | 0.5008 | |
| 513 | V | C | 0.4686 | |
| 514 | D | C | -1.0501 | |
| 515 | N | C | -2.0692 | |
| 516 | N | C | -1.8423 | |
| 517 | G | C | -1.0813 | |
| 518 | L | C | -0.2036 | |
| 519 | Y | C | -0.0169 | |
| 520 | T | C | -0.2665 | |
| 521 | E | C | -0.9037 | |
| 522 | P | C | -0.8525 | |
| 523 | R | C | -0.9970 | |
| 524 | P | C | -0.6022 | |
| 525 | I | C | 0.0000 | |
| 526 | G | C | -0.2816 | |
| 527 | T | C | 0.0000 | |
| 528 | R | C | 0.0000 | |
| 529 | Y | C | -0.0156 | |
| 530 | L | C | 0.0000 | |
| 531 | T | C | 0.0000 | |
| 532 | R | C | -0.5495 | |
| 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 | -0.1597 | 4.3216 | View | CSV | PDB |
| 4.5 | -0.1958 | 4.2247 | View | CSV | PDB |
| 5.0 | -0.2384 | 4.0694 | View | CSV | PDB |
| 5.5 | -0.2817 | 3.9873 | View | CSV | PDB |
| 6.0 | -0.3198 | 3.985 | View | CSV | PDB |
| 6.5 | -0.3486 | 3.9917 | View | CSV | PDB |
| 7.0 | -0.3677 | 4.0065 | View | CSV | PDB |
| 7.5 | -0.38 | 4.026 | View | CSV | PDB |
| 8.0 | -0.3876 | 4.0475 | View | CSV | PDB |
| 8.5 | -0.3901 | 4.0693 | View | CSV | PDB |
| 9.0 | -0.386 | 4.0905 | View | CSV | PDB |