| 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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[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 (00:06:56)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/32e7a6f82a73e8/tmp/folded.pdb (00:06:56)
[INFO] Main: Simulation completed successfully. (00:20:52)
|
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 | -2.5814 | |
| 18 | G | A | -1.3643 | |
| 19 | V | A | 0.3136 | |
| 20 | G | A | -0.6683 | |
| 21 | N | A | -1.7738 | |
| 22 | A | A | -1.3262 | |
| 23 | S | A | 0.0000 | |
| 24 | G | A | -1.3283 | |
| 25 | N | A | -1.0833 | |
| 26 | W | A | -0.2360 | |
| 27 | H | A | -1.1208 | |
| 28 | C | A | -0.9067 | |
| 29 | D | A | -1.7488 | |
| 30 | S | A | -0.8005 | |
| 31 | T | A | -0.0861 | |
| 32 | W | A | 0.0989 | |
| 33 | L | A | 0.3173 | |
| 34 | G | A | -1.0808 | |
| 35 | D | A | -2.2169 | |
| 36 | R | A | -1.0876 | |
| 37 | V | A | 0.0000 | |
| 38 | I | A | -0.2060 | |
| 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 | 0.4484 | |
| 45 | W | A | 0.0000 | |
| 46 | A | A | 0.6587 | |
| 47 | L | A | 0.0000 | |
| 48 | P | A | 0.0861 | |
| 49 | T | A | -0.2028 | |
| 50 | Y | A | -0.1538 | |
| 51 | N | A | -0.6307 | |
| 52 | N | A | -0.9683 | |
| 53 | H | A | -0.2564 | |
| 54 | L | A | 0.2597 | |
| 55 | Y | A | -0.1700 | |
| 56 | K | A | -1.1960 | |
| 57 | Q | A | -1.3001 | |
| 58 | I | A | -0.4007 | |
| 59 | S | A | -0.4844 | |
| 60 | S | A | 0.0000 | |
| 61 | A | A | -0.3890 | |
| 62 | S | A | -0.3209 | |
| 63 | T | A | -0.4385 | |
| 64 | G | A | -0.7696 | |
| 65 | A | A | -0.8068 | |
| 66 | S | A | -1.1053 | |
| 67 | N | A | -1.7613 | |
| 68 | D | A | -1.1883 | |
| 69 | N | A | -0.9249 | |
| 70 | H | A | -1.0464 | |
| 71 | Y | A | -0.3942 | |
| 72 | F | A | 0.0000 | |
| 73 | G | A | 0.0000 | |
| 74 | Y | A | -0.3542 | |
| 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 | -0.2321 | |
| 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 | -1.1142 | |
| 92 | P | A | -1.4467 | |
| 93 | R | A | -2.5219 | |
| 94 | D | A | -1.8254 | |
| 95 | W | A | 0.0000 | |
| 96 | Q | A | -2.1229 | |
| 97 | R | A | -2.5419 | |
| 98 | L | A | 0.0000 | |
| 99 | I | A | 0.0000 | |
| 100 | N | A | -1.2950 | |
| 101 | N | A | -1.9413 | |
| 102 | N | A | 0.0000 | |
| 103 | W | A | -0.9935 | |
| 104 | G | A | 0.0000 | |
| 105 | F | A | 0.0000 | |
| 106 | R | A | -0.9007 | |
| 107 | P | A | 0.0000 | |
| 108 | K | A | -2.0675 | |
| 109 | R | A | -2.5531 | |
| 110 | L | A | 0.0000 | |
| 111 | N | A | -1.5782 | |
| 112 | F | A | 0.0000 | |
| 113 | K | A | -1.0769 | |
| 114 | L | A | 0.0000 | |
| 115 | F | A | 0.0000 | |
| 116 | N | A | -1.2605 | |
| 117 | I | A | 0.0000 | |
| 118 | Q | A | -0.9814 | |
| 119 | V | A | 0.0000 | |
| 120 | K | A | -0.4382 | |
| 121 | E | A | -0.0835 | |
| 122 | V | A | 0.6165 | |
| 123 | T | A | 0.3118 | |
| 124 | T | A | -0.4285 | |
| 125 | N | A | -1.7705 | |
| 126 | D | A | -2.0934 | |
| 127 | G | A | -0.9365 | |
| 128 | V | A | 0.4927 | |
| 129 | T | A | 0.4907 | |
| 130 | T | A | 0.8404 | |
| 131 | I | A | 1.2674 | |
| 132 | A | A | 0.0919 | |
| 133 | N | A | -1.0653 | |
| 134 | N | A | -0.6476 | |
| 135 | L | A | 0.2758 | |
| 136 | T | A | -0.0417 | |
| 137 | S | A | 0.0000 | |
| 138 | T | A | -0.5700 | |
| 139 | V | A | 0.0000 | |
| 140 | Q | A | -0.5308 | |
| 141 | V | A | 0.0000 | |
| 142 | F | A | 0.0000 | |
| 143 | S | A | -0.4835 | |
| 144 | D | A | 0.0000 | |
| 145 | S | A | -1.1666 | |
| 146 | E | A | -2.1629 | |
| 147 | Y | A | -1.2278 | |
| 148 | Q | A | -0.9611 | |
| 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 | -0.0999 | |
| 155 | S | A | -0.1148 | |
| 156 | A | A | 0.0000 | |
| 157 | H | A | 0.0000 | |
| 158 | Q | A | -0.4672 | |
| 159 | G | A | -0.0862 | |
| 160 | C | A | -0.0277 | |
| 161 | L | A | 0.0000 | |
| 162 | P | A | 0.1489 | |
| 163 | P | A | -0.0213 | |
| 164 | F | A | 0.7005 | |
| 165 | P | A | 0.1157 | |
| 166 | A | A | -0.0755 | |
| 167 | D | A | -0.3667 | |
| 168 | V | A | 1.3036 | |
| 169 | F | A | 0.0000 | |
| 170 | M | A | 1.2569 | |
| 171 | I | A | 0.0000 | |
| 172 | P | A | 0.0000 | |
| 173 | Q | A | 0.1229 | |
| 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 | 0.0477 | |
| 180 | N | A | 0.0000 | |
| 181 | N | A | -1.1375 | |
| 182 | G | A | -1.0548 | |
| 183 | S | A | -0.9739 | |
| 184 | Q | A | -1.1443 | |
| 185 | A | A | -0.3579 | |
| 186 | V | A | 0.2063 | |
| 187 | G | A | -0.1451 | |
| 188 | R | A | -0.1561 | |
| 189 | S | A | 0.0000 | |
| 190 | S | A | 0.0000 | |
| 191 | F | A | 0.3758 | |
| 192 | Y | A | 0.0000 | |
| 193 | C | A | 0.4034 | |
| 194 | L | A | 0.0000 | |
| 195 | E | A | -0.7739 | |
| 196 | Y | A | 0.7604 | |
| 197 | F | A | 0.0000 | |
| 198 | P | A | -0.4283 | |
| 199 | S | A | -0.6467 | |
| 200 | Q | A | -1.1999 | |
| 201 | M | A | -0.3069 | |
| 202 | L | A | 0.0000 | |
| 203 | R | A | -1.8576 | |
| 204 | T | A | -1.3974 | |
| 205 | G | A | 0.0000 | |
| 206 | N | A | -2.1365 | |
| 207 | N | A | -1.7709 | |
| 208 | F | A | 0.0000 | |
| 209 | T | A | -0.5667 | |
| 210 | F | A | -0.2824 | |
| 211 | S | A | -0.8629 | |
| 212 | Y | A | -0.9821 | |
| 213 | T | A | -1.6301 | |
| 214 | F | A | 0.0000 | |
| 215 | E | A | -2.2869 | |
| 216 | E | A | -2.2914 | |
| 217 | V | A | 0.0000 | |
| 218 | P | A | -0.6123 | |
| 219 | F | A | -0.1030 | |
| 220 | H | A | 0.0000 | |
| 221 | S | A | 0.0000 | |
| 222 | S | A | 0.0000 | |
| 223 | Y | A | 0.0000 | |
| 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 | 0.1862 | |
| 233 | M | A | 0.0000 | |
| 234 | N | A | 0.0000 | |
| 235 | P | A | 0.0000 | |
| 236 | L | A | 0.4384 | |
| 237 | I | A | -0.0238 | |
| 238 | D | A | -0.6968 | |
| 239 | Q | A | 0.0000 | |
| 240 | Y | A | 0.0000 | |
| 241 | L | A | 0.0000 | |
| 242 | Y | A | 0.0000 | |
| 243 | Y | A | -0.0183 | |
| 244 | L | A | 0.0000 | |
| 245 | N | A | -0.5169 | |
| 246 | R | A | -0.9850 | |
| 247 | T | A | 0.0000 | |
| 248 | Q | A | -2.2255 | |
| 249 | N | A | -2.1718 | |
| 250 | Q | A | -2.1885 | |
| 251 | S | A | -1.4760 | |
| 252 | G | A | -1.2773 | |
| 253 | S | A | -1.0689 | |
| 254 | A | A | -1.4305 | |
| 255 | Q | A | -2.6313 | |
| 256 | N | A | -2.7778 | |
| 257 | K | A | -2.4659 | |
| 258 | D | A | -1.8714 | |
| 259 | L | A | 0.0000 | |
| 260 | L | A | -0.5357 | |
| 261 | F | A | 0.0000 | |
| 262 | S | A | 0.0000 | |
| 263 | R | A | -0.6217 | |
| 264 | G | A | 0.0000 | |
| 265 | S | A | -0.3045 | |
| 266 | P | A | -0.0814 | |
| 267 | A | A | -0.1460 | |
| 268 | G | A | -0.1794 | |
| 269 | M | A | 0.0000 | |
| 270 | S | A | 0.0000 | |
| 271 | V | A | 0.0757 | |
| 272 | Q | A | 0.0000 | |
| 273 | P | A | 0.0000 | |
| 274 | K | A | -0.1209 | |
| 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 | -0.0983 | |
| 287 | V | A | 0.0000 | |
| 288 | S | A | 0.0000 | |
| 289 | K | A | -1.5842 | |
| 290 | T | A | -1.1760 | |
| 291 | K | A | -1.7471 | |
| 292 | T | A | -1.2877 | |
| 293 | D | A | -1.2724 | |
| 294 | N | A | 0.0000 | |
| 295 | N | A | 0.0000 | |
| 296 | N | A | -2.5031 | |
| 297 | S | A | -1.8207 | |
| 298 | N | A | -1.4787 | |
| 299 | F | A | 0.0000 | |
| 300 | T | A | 0.0000 | |
| 301 | W | A | 0.1619 | |
| 302 | T | A | 0.0049 | |
| 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 | -0.7207 | |
| 311 | G | A | -0.7465 | |
| 312 | R | A | 0.0000 | |
| 313 | E | A | -0.5367 | |
| 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 | -0.0739 | |
| 322 | M | A | 0.0000 | |
| 323 | A | A | 0.0000 | |
| 324 | S | A | 0.0000 | |
| 325 | H | A | 0.0000 | |
| 326 | K | A | -1.7930 | |
| 327 | D | A | -2.2360 | |
| 328 | D | A | -2.9375 | |
| 329 | E | A | -2.6124 | |
| 330 | D | A | -3.3678 | |
| 331 | K | A | -2.4016 | |
| 332 | F | A | -1.5089 | |
| 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 | -1.3637 | |
| 343 | K | A | -2.2985 | |
| 344 | E | A | -2.3071 | |
| 345 | S | A | -1.7094 | |
| 346 | A | A | 0.0000 | |
| 347 | G | A | -0.9166 | |
| 348 | A | A | -0.4823 | |
| 349 | S | A | -0.5430 | |
| 350 | N | A | -0.6893 | |
| 351 | T | A | 0.0000 | |
| 352 | A | A | -0.6491 | |
| 353 | L | A | -0.9115 | |
| 354 | D | A | -1.8915 | |
| 355 | N | A | -1.7428 | |
| 356 | V | A | 0.0000 | |
| 357 | M | A | 0.0000 | |
| 358 | I | A | -0.2195 | |
| 359 | T | A | 0.0000 | |
| 360 | D | A | -1.3805 | |
| 361 | E | A | 0.0000 | |
| 362 | E | A | -1.8383 | |
| 363 | E | A | -0.9846 | |
| 364 | I | A | 0.0000 | |
| 365 | K | A | -0.7632 | |
| 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 | -0.6291 | |
| 374 | R | A | -0.9175 | |
| 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 | -0.0745 | |
| 381 | N | A | -0.3641 | |
| 382 | F | A | -0.0295 | |
| 383 | Q | A | 0.0000 | |
| 384 | S | A | -1.0832 | |
| 385 | S | A | -1.3279 | |
| 386 | S | A | -0.9977 | |
| 387 | T | A | -1.1708 | |
| 388 | D | A | -2.0678 | |
| 389 | P | A | -0.9539 | |
| 390 | A | A | -0.3764 | |
| 391 | T | A | -0.3373 | |
| 392 | G | A | -0.8129 | |
| 393 | D | A | -1.6616 | |
| 394 | V | A | 0.0000 | |
| 395 | H | A | -0.6721 | |
| 396 | A | A | -0.2613 | |
| 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 | -0.4360 | |
| 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 | -0.4581 | |
| 423 | T | A | -0.4036 | |
| 424 | D | A | -0.6216 | |
| 425 | G | A | 0.0000 | |
| 426 | H | A | -0.5107 | |
| 427 | F | A | 0.0000 | |
| 428 | H | A | -0.4584 | |
| 429 | P | A | -0.3525 | |
| 430 | S | A | -0.3255 | |
| 431 | P | A | 0.0000 | |
| 432 | L | A | 0.0000 | |
| 433 | M | A | 0.0000 | |
| 434 | G | A | 0.0000 | |
| 435 | G | A | -0.1359 | |
| 436 | F | A | 0.0000 | |
| 437 | G | A | -0.5217 | |
| 438 | L | A | 0.0000 | |
| 439 | K | A | -1.3113 | |
| 440 | N | A | -1.7166 | |
| 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 | 0.1644 | |
| 451 | P | A | 0.1032 | |
| 452 | V | A | 0.4806 | |
| 453 | P | A | 0.1267 | |
| 454 | A | A | -0.2805 | |
| 455 | N | A | -1.3175 | |
| 456 | P | A | -0.8424 | |
| 457 | P | A | -0.8213 | |
| 458 | A | A | -0.7368 | |
| 459 | E | A | -1.0147 | |
| 460 | F | A | 0.8854 | |
| 461 | S | A | 0.0457 | |
| 462 | A | A | 0.0501 | |
| 463 | T | A | -0.4631 | |
| 464 | K | A | -1.3344 | |
| 465 | F | A | 0.0108 | |
| 466 | A | A | -0.0854 | |
| 467 | S | A | -0.2599 | |
| 468 | F | A | 0.2581 | |
| 469 | I | A | 0.4595 | |
| 470 | T | A | 0.1472 | |
| 471 | Q | A | 0.0000 | |
| 472 | Y | A | 0.3668 | |
| 473 | S | A | 0.0000 | |
| 474 | T | A | 0.0403 | |
| 475 | G | A | 0.0000 | |
| 476 | Q | A | -0.2946 | |
| 477 | V | A | 0.0000 | |
| 478 | S | A | 0.0000 | |
| 479 | V | A | 0.0000 | |
| 480 | E | A | -1.3753 | |
| 481 | I | A | 0.0000 | |
| 482 | E | A | -1.1627 | |
| 483 | W | A | 0.0000 | |
| 484 | E | A | -1.3641 | |
| 485 | L | A | 0.0000 | |
| 486 | Q | A | -1.9635 | |
| 487 | K | A | -2.5636 | |
| 488 | E | A | -2.3286 | |
| 489 | N | A | -1.9798 | |
| 490 | S | A | -1.1114 | |
| 491 | K | A | -0.2729 | |
| 492 | R | A | 0.0000 | |
| 493 | W | A | 1.1468 | |
| 494 | N | A | 0.0612 | |
| 495 | P | A | -0.3264 | |
| 496 | E | A | -0.3952 | |
| 497 | V | A | -0.1322 | |
| 498 | Q | A | -0.7350 | |
| 499 | Y | A | -0.5654 | |
| 500 | T | A | -0.5932 | |
| 501 | S | A | -0.4635 | |
| 502 | N | A | -0.8677 | |
| 503 | Y | A | 0.2949 | |
| 504 | A | A | -0.5855 | |
| 505 | K | A | -1.6208 | |
| 506 | S | A | -1.0824 | |
| 507 | A | A | -0.7806 | |
| 508 | N | A | -0.9655 | |
| 509 | V | A | 0.5047 | |
| 510 | D | A | -0.4037 | |
| 511 | F | A | -0.0726 | |
| 512 | T | A | 0.5306 | |
| 513 | V | A | 0.5144 | |
| 514 | D | A | -1.0137 | |
| 515 | N | A | -2.0524 | |
| 516 | N | A | -1.8129 | |
| 517 | G | A | -1.0043 | |
| 518 | L | A | -0.0762 | |
| 519 | Y | A | 0.0571 | |
| 520 | T | A | -0.2415 | |
| 521 | E | A | -0.9011 | |
| 522 | P | A | -0.8483 | |
| 523 | R | A | -0.9717 | |
| 524 | P | A | -0.5843 | |
| 525 | I | A | 0.0000 | |
| 526 | G | A | -0.2902 | |
| 527 | T | A | 0.0000 | |
| 528 | R | A | 0.0000 | |
| 529 | Y | A | -0.0492 | |
| 530 | L | A | 0.0000 | |
| 531 | T | A | 0.0000 | |
| 532 | R | A | -0.5879 | |
| 533 | P | A | 0.0000 | |
| 534 | L | A | 0.0000 | |
| 17 | D | B | -2.4483 | |
| 18 | G | B | -1.1794 | |
| 19 | V | B | 0.3956 | |
| 20 | G | B | -0.6120 | |
| 21 | N | B | -1.7218 | |
| 22 | A | B | -1.2892 | |
| 23 | S | B | 0.0000 | |
| 24 | G | B | -1.2878 | |
| 25 | N | B | -1.1091 | |
| 26 | W | B | -0.2875 | |
| 27 | H | B | -1.1808 | |
| 28 | C | B | -1.0033 | |
| 29 | D | B | -1.7967 | |
| 30 | S | B | -0.8205 | |
| 31 | T | B | -0.0880 | |
| 32 | W | B | 0.1135 | |
| 33 | L | B | 0.3193 | |
| 34 | G | B | -1.0821 | |
| 35 | D | B | -2.2178 | |
| 36 | R | B | -1.0658 | |
| 37 | V | B | 0.0000 | |
| 38 | I | B | -0.1944 | |
| 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 | 0.3725 | |
| 45 | W | B | 0.0000 | |
| 46 | A | B | 0.6479 | |
| 47 | L | B | 0.0000 | |
| 48 | P | B | 0.0864 | |
| 49 | T | B | -0.1748 | |
| 50 | Y | B | -0.0945 | |
| 51 | N | B | -0.4553 | |
| 52 | N | B | -0.8773 | |
| 53 | H | B | -0.1189 | |
| 54 | L | B | 0.5737 | |
| 55 | Y | B | 0.0851 | |
| 56 | K | B | -0.8649 | |
| 57 | Q | B | -1.1659 | |
| 58 | I | B | -0.3676 | |
| 59 | S | B | -0.4797 | |
| 60 | S | B | 0.0000 | |
| 61 | A | B | -0.3926 | |
| 62 | S | B | -0.3245 | |
| 63 | T | B | -0.4399 | |
| 64 | G | B | -0.7710 | |
| 65 | A | B | -0.8019 | |
| 66 | S | B | -1.0948 | |
| 67 | N | B | -1.7482 | |
| 68 | D | B | -1.1471 | |
| 69 | N | B | -0.9071 | |
| 70 | H | B | -1.0345 | |
| 71 | Y | B | -0.4281 | |
| 72 | F | B | 0.0000 | |
| 73 | G | B | 0.0000 | |
| 74 | Y | B | -0.3206 | |
| 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 | -0.2302 | |
| 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 | -0.9733 | |
| 92 | P | B | -1.2478 | |
| 93 | R | B | -2.0808 | |
| 94 | D | B | -1.5723 | |
| 95 | W | B | 0.0000 | |
| 96 | Q | B | -1.8864 | |
| 97 | R | B | -2.2572 | |
| 98 | L | B | 0.0000 | |
| 99 | I | B | 0.0000 | |
| 100 | N | B | 0.0000 | |
| 101 | N | B | -1.8225 | |
| 102 | N | B | 0.0000 | |
| 103 | W | B | -0.9549 | |
| 104 | G | B | 0.0000 | |
| 105 | F | B | 0.0000 | |
| 106 | R | B | -0.8247 | |
| 107 | P | B | 0.0000 | |
| 108 | K | B | -1.8810 | |
| 109 | R | B | -2.4532 | |
| 110 | L | B | 0.0000 | |
| 111 | N | B | -1.5748 | |
| 112 | F | B | 0.0000 | |
| 113 | K | B | -0.9380 | |
| 114 | L | B | 0.0000 | |
| 115 | F | B | 0.0000 | |
| 116 | N | B | -1.0493 | |
| 117 | I | B | 0.0000 | |
| 118 | Q | B | -1.0035 | |
| 119 | V | B | 0.0000 | |
| 120 | K | B | -0.4873 | |
| 121 | E | B | -0.1500 | |
| 122 | V | B | 0.5687 | |
| 123 | T | B | 0.2812 | |
| 124 | T | B | -0.4426 | |
| 125 | N | B | -1.7713 | |
| 126 | D | B | -2.0946 | |
| 127 | G | B | -0.9361 | |
| 128 | V | B | 0.4932 | |
| 129 | T | B | 0.4711 | |
| 130 | T | B | 0.7936 | |
| 131 | I | B | 1.1773 | |
| 132 | A | B | 0.0474 | |
| 133 | N | B | -1.0873 | |
| 134 | N | B | -0.6257 | |
| 135 | L | B | 0.2602 | |
| 136 | T | B | -0.0234 | |
| 137 | S | B | 0.0000 | |
| 138 | T | B | -0.5137 | |
| 139 | V | B | 0.0000 | |
| 140 | Q | B | -0.4859 | |
| 141 | V | B | 0.0000 | |
| 142 | F | B | 0.0000 | |
| 143 | S | B | -0.4871 | |
| 144 | D | B | 0.0000 | |
| 145 | S | B | -1.1931 | |
| 146 | E | B | -2.1973 | |
| 147 | Y | B | -1.3623 | |
| 148 | Q | B | 0.0000 | |
| 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 | -0.1424 | |
| 155 | S | B | -0.1659 | |
| 156 | A | B | 0.0000 | |
| 157 | H | B | 0.0000 | |
| 158 | Q | B | -0.6140 | |
| 159 | G | B | -0.1563 | |
| 160 | C | B | -0.0548 | |
| 161 | L | B | 0.0000 | |
| 162 | P | B | 0.0825 | |
| 163 | P | B | -0.0618 | |
| 164 | F | B | 0.6436 | |
| 165 | P | B | 0.0420 | |
| 166 | A | B | -0.1968 | |
| 167 | D | B | -0.6445 | |
| 168 | V | B | 1.1630 | |
| 169 | F | B | 0.0000 | |
| 170 | M | B | 1.2572 | |
| 171 | I | B | 0.0000 | |
| 172 | P | B | 0.0000 | |
| 173 | Q | B | 0.1308 | |
| 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 | -1.2483 | |
| 182 | G | B | -1.0988 | |
| 183 | S | B | -0.9967 | |
| 184 | Q | B | -1.2400 | |
| 185 | A | B | -0.5514 | |
| 186 | V | B | -0.1340 | |
| 187 | G | B | -0.3239 | |
| 188 | R | B | -0.2673 | |
| 189 | S | B | 0.0000 | |
| 190 | S | B | 0.0000 | |
| 191 | F | B | 0.3966 | |
| 192 | Y | B | 0.0000 | |
| 193 | C | B | 0.4452 | |
| 194 | L | B | 0.0000 | |
| 195 | E | B | -0.6498 | |
| 196 | Y | B | 0.8122 | |
| 197 | F | B | 0.0000 | |
| 198 | P | B | -0.4021 | |
| 199 | S | B | -0.6170 | |
| 200 | Q | B | -1.1200 | |
| 201 | M | B | -0.1954 | |
| 202 | L | B | 0.0000 | |
| 203 | R | B | -1.7123 | |
| 204 | T | B | -1.3161 | |
| 205 | G | B | 0.0000 | |
| 206 | N | B | -1.9867 | |
| 207 | N | B | -1.5272 | |
| 208 | F | B | -0.5131 | |
| 209 | T | B | -0.4188 | |
| 210 | F | B | -0.2231 | |
| 211 | S | B | -0.8548 | |
| 212 | Y | B | -0.9640 | |
| 213 | T | B | -1.5571 | |
| 214 | F | B | 0.0000 | |
| 215 | E | B | -2.1763 | |
| 216 | E | B | -2.1103 | |
| 217 | V | B | 0.0000 | |
| 218 | P | B | -0.5474 | |
| 219 | F | B | -0.0297 | |
| 220 | H | B | 0.0000 | |
| 221 | S | B | 0.0000 | |
| 222 | S | B | 0.0000 | |
| 223 | Y | B | 0.0000 | |
| 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 | 0.1844 | |
| 233 | M | B | 0.0000 | |
| 234 | N | B | 0.0000 | |
| 235 | P | B | 0.0000 | |
| 236 | L | B | 0.4723 | |
| 237 | I | B | 0.0571 | |
| 238 | D | B | -0.5495 | |
| 239 | Q | B | 0.0000 | |
| 240 | Y | B | 0.0000 | |
| 241 | L | B | 0.0000 | |
| 242 | Y | B | 0.0000 | |
| 243 | Y | B | -0.0218 | |
| 244 | L | B | 0.0000 | |
| 245 | N | B | -0.5190 | |
| 246 | R | B | -0.9757 | |
| 247 | T | B | 0.0000 | |
| 248 | Q | B | -2.0763 | |
| 249 | N | B | -2.1002 | |
| 250 | Q | B | -2.1730 | |
| 251 | S | B | -1.4699 | |
| 252 | G | B | -1.2800 | |
| 253 | S | B | -1.0686 | |
| 254 | A | B | -1.4244 | |
| 255 | Q | B | -2.5483 | |
| 256 | N | B | -2.6872 | |
| 257 | K | B | -2.3113 | |
| 258 | D | B | -1.7927 | |
| 259 | L | B | 0.0000 | |
| 260 | L | B | -0.5100 | |
| 261 | F | B | 0.0000 | |
| 262 | S | B | 0.0000 | |
| 263 | R | B | -0.6068 | |
| 264 | G | B | 0.0000 | |
| 265 | S | B | -0.2615 | |
| 266 | P | B | -0.0541 | |
| 267 | A | B | -0.1311 | |
| 268 | G | B | -0.1804 | |
| 269 | M | B | 0.0000 | |
| 270 | S | B | 0.0000 | |
| 271 | V | B | 0.0758 | |
| 272 | Q | B | 0.0000 | |
| 273 | P | B | 0.0000 | |
| 274 | K | B | -0.1202 | |
| 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 | -0.1230 | |
| 287 | V | B | 0.0000 | |
| 288 | S | B | 0.0000 | |
| 289 | K | B | -1.4226 | |
| 290 | T | B | -1.1296 | |
| 291 | K | B | -1.7735 | |
| 292 | T | B | -1.3574 | |
| 293 | D | B | -1.4322 | |
| 294 | N | B | 0.0000 | |
| 295 | N | B | 0.0000 | |
| 296 | N | B | -2.5436 | |
| 297 | S | B | -1.8113 | |
| 298 | N | B | -1.4420 | |
| 299 | F | B | 0.0000 | |
| 300 | T | B | 0.0000 | |
| 301 | W | B | 0.1656 | |
| 302 | T | B | 0.0100 | |
| 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 | -0.7259 | |
| 311 | G | B | -0.7693 | |
| 312 | R | B | 0.0000 | |
| 313 | E | B | -0.5238 | |
| 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 | -0.0736 | |
| 322 | M | B | 0.0000 | |
| 323 | A | B | 0.0000 | |
| 324 | S | B | 0.0000 | |
| 325 | H | B | 0.0000 | |
| 326 | K | B | -1.6376 | |
| 327 | D | B | -2.0993 | |
| 328 | D | B | -2.9379 | |
| 329 | E | B | -2.6840 | |
| 330 | D | B | -3.3596 | |
| 331 | K | B | -2.4150 | |
| 332 | F | B | -1.4334 | |
| 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 | -1.3562 | |
| 343 | K | B | -2.2991 | |
| 344 | E | B | -2.3017 | |
| 345 | S | B | -1.7087 | |
| 346 | A | B | 0.0000 | |
| 347 | G | B | -0.9208 | |
| 348 | A | B | -0.5078 | |
| 349 | S | B | -0.5589 | |
| 350 | N | B | -0.7312 | |
| 351 | T | B | 0.0000 | |
| 352 | A | B | -0.6555 | |
| 353 | L | B | -0.8641 | |
| 354 | D | B | -1.8788 | |
| 355 | N | B | -1.7310 | |
| 356 | V | B | 0.0000 | |
| 357 | M | B | 0.0000 | |
| 358 | I | B | -0.1963 | |
| 359 | T | B | 0.0000 | |
| 360 | D | B | -1.4122 | |
| 361 | E | B | 0.0000 | |
| 362 | E | B | -1.6270 | |
| 363 | E | B | -0.9470 | |
| 364 | I | B | 0.0000 | |
| 365 | K | B | 0.0000 | |
| 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 | -0.5498 | |
| 374 | R | B | -0.7718 | |
| 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 | -0.1021 | |
| 381 | N | B | -0.3828 | |
| 382 | F | B | 0.0556 | |
| 383 | Q | B | 0.0000 | |
| 384 | S | B | -0.9564 | |
| 385 | S | B | -1.1811 | |
| 386 | S | B | -0.9233 | |
| 387 | T | B | -1.1128 | |
| 388 | D | B | -1.9988 | |
| 389 | P | B | -0.9406 | |
| 390 | A | B | -0.3619 | |
| 391 | T | B | -0.2445 | |
| 392 | G | B | -0.6107 | |
| 393 | D | B | -1.2494 | |
| 394 | V | B | 0.0000 | |
| 395 | H | B | -0.5517 | |
| 396 | A | B | -0.2104 | |
| 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 | -0.4509 | |
| 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 | -1.0970 | |
| 420 | I | B | 0.0000 | |
| 421 | P | B | 0.0000 | |
| 422 | H | B | -1.2440 | |
| 423 | T | B | -0.7272 | |
| 424 | D | B | -0.7916 | |
| 425 | G | B | 0.0000 | |
| 426 | H | B | -0.7390 | |
| 427 | F | B | 0.0000 | |
| 428 | H | B | -0.4959 | |
| 429 | P | B | -0.5296 | |
| 430 | S | B | -0.3648 | |
| 431 | P | B | 0.0000 | |
| 432 | L | B | 0.0000 | |
| 433 | M | B | 0.0000 | |
| 434 | G | B | 0.0000 | |
| 435 | G | B | -0.1252 | |
| 436 | F | B | 0.0000 | |
| 437 | G | B | -0.8004 | |
| 438 | L | B | 0.0000 | |
| 439 | K | B | -2.5758 | |
| 440 | N | B | -2.4870 | |
| 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 | 0.1751 | |
| 451 | P | B | 0.1183 | |
| 452 | V | B | 0.4278 | |
| 453 | P | B | 0.1425 | |
| 454 | A | B | -0.2685 | |
| 455 | N | B | -1.3110 | |
| 456 | P | B | -0.8418 | |
| 457 | P | B | -0.8105 | |
| 458 | A | B | -0.7287 | |
| 459 | E | B | -1.0009 | |
| 460 | F | B | 0.9107 | |
| 461 | S | B | 0.0892 | |
| 462 | A | B | 0.0693 | |
| 463 | T | B | -0.4596 | |
| 464 | K | B | -1.3522 | |
| 465 | F | B | -0.0686 | |
| 466 | A | B | -0.0766 | |
| 467 | S | B | -0.2508 | |
| 468 | F | B | 0.2941 | |
| 469 | I | B | 0.4840 | |
| 470 | T | B | 0.1483 | |
| 471 | Q | B | 0.0000 | |
| 472 | Y | B | 0.3415 | |
| 473 | S | B | 0.0000 | |
| 474 | T | B | 0.0186 | |
| 475 | G | B | 0.0000 | |
| 476 | Q | B | -0.3151 | |
| 477 | V | B | 0.0000 | |
| 478 | S | B | -0.6932 | |
| 479 | V | B | 0.0000 | |
| 480 | E | B | -1.3906 | |
| 481 | I | B | 0.0000 | |
| 482 | E | B | -1.1264 | |
| 483 | W | B | 0.0000 | |
| 484 | E | B | -1.3084 | |
| 485 | L | B | 0.0000 | |
| 486 | Q | B | -1.9407 | |
| 487 | K | B | -2.5663 | |
| 488 | E | B | -2.3187 | |
| 489 | N | B | -2.0261 | |
| 490 | S | B | -1.3129 | |
| 491 | K | B | -0.6363 | |
| 492 | R | B | -0.0321 | |
| 493 | W | B | 0.8831 | |
| 494 | N | B | 0.0137 | |
| 495 | P | B | -0.3373 | |
| 496 | E | B | -0.3857 | |
| 497 | V | B | -0.0474 | |
| 498 | Q | B | -0.6702 | |
| 499 | Y | B | -0.5009 | |
| 500 | T | B | -0.3735 | |
| 501 | S | B | -0.4312 | |
| 502 | N | B | -0.8308 | |
| 503 | Y | B | 0.3065 | |
| 504 | A | B | -0.5783 | |
| 505 | K | B | -1.6200 | |
| 506 | S | B | -1.0647 | |
| 507 | A | B | -0.7691 | |
| 508 | N | B | -0.9714 | |
| 509 | V | B | 0.5096 | |
| 510 | D | B | -0.3854 | |
| 511 | F | B | 0.0000 | |
| 512 | T | B | 0.4630 | |
| 513 | V | B | 0.4821 | |
| 514 | D | B | -1.0553 | |
| 515 | N | B | -2.0656 | |
| 516 | N | B | -1.8204 | |
| 517 | G | B | -1.0393 | |
| 518 | L | B | -0.0997 | |
| 519 | Y | B | 0.0099 | |
| 520 | T | B | -0.2803 | |
| 521 | E | B | -0.9557 | |
| 522 | P | B | -0.8756 | |
| 523 | R | B | -1.0019 | |
| 524 | P | B | -0.5969 | |
| 525 | I | B | 0.0000 | |
| 526 | G | B | -0.2670 | |
| 527 | T | B | 0.0000 | |
| 528 | R | B | 0.0000 | |
| 529 | Y | B | -0.0534 | |
| 530 | L | B | 0.0000 | |
| 531 | T | B | 0.0000 | |
| 532 | R | B | -0.6730 | |
| 533 | P | B | 0.0000 | |
| 534 | L | B | 0.0000 | |
| 17 | D | C | -2.5931 | |
| 18 | G | C | -1.3632 | |
| 19 | V | C | 0.3146 | |
| 20 | G | C | -0.6791 | |
| 21 | N | C | -1.7966 | |
| 22 | A | C | -1.3536 | |
| 23 | S | C | 0.0000 | |
| 24 | G | C | -1.3921 | |
| 25 | N | C | -1.1267 | |
| 26 | W | C | -0.3156 | |
| 27 | H | C | -1.1975 | |
| 28 | C | C | -1.0175 | |
| 29 | D | C | -1.8024 | |
| 30 | S | C | -0.8244 | |
| 31 | T | C | -0.0930 | |
| 32 | W | C | 0.1110 | |
| 33 | L | C | 0.3313 | |
| 34 | G | C | -1.0635 | |
| 35 | D | C | -2.1878 | |
| 36 | R | C | -1.1404 | |
| 37 | V | C | 0.0000 | |
| 38 | I | C | -0.1868 | |
| 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 | 0.4342 | |
| 45 | W | C | 0.0000 | |
| 46 | A | C | 0.6429 | |
| 47 | L | C | 0.0000 | |
| 48 | P | C | 0.0668 | |
| 49 | T | C | -0.2136 | |
| 50 | Y | C | -0.1723 | |
| 51 | N | C | -0.6779 | |
| 52 | N | C | -0.9681 | |
| 53 | H | C | -0.2450 | |
| 54 | L | C | 0.3410 | |
| 55 | Y | C | -0.1714 | |
| 56 | K | C | -1.2886 | |
| 57 | Q | C | -1.3534 | |
| 58 | I | C | -0.4354 | |
| 59 | S | C | -0.4996 | |
| 60 | S | C | 0.0000 | |
| 61 | A | C | -0.3898 | |
| 62 | S | C | -0.3210 | |
| 63 | T | C | -0.4399 | |
| 64 | G | C | -0.7725 | |
| 65 | A | C | -0.8044 | |
| 66 | S | C | -1.0990 | |
| 67 | N | C | -1.7464 | |
| 68 | D | C | -1.1356 | |
| 69 | N | C | -0.9053 | |
| 70 | H | C | -1.0383 | |
| 71 | Y | C | -0.4269 | |
| 72 | F | C | 0.0000 | |
| 73 | G | C | 0.0000 | |
| 74 | Y | C | -0.4183 | |
| 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 | -0.2275 | |
| 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 | -1.0936 | |
| 92 | P | C | -1.4888 | |
| 93 | R | C | -2.5237 | |
| 94 | D | C | -1.7902 | |
| 95 | W | C | 0.0000 | |
| 96 | Q | C | -2.0841 | |
| 97 | R | C | -2.4261 | |
| 98 | L | C | 0.0000 | |
| 99 | I | C | 0.0000 | |
| 100 | N | C | 0.0000 | |
| 101 | N | C | -1.8352 | |
| 102 | N | C | 0.0000 | |
| 103 | W | C | 0.0000 | |
| 104 | G | C | 0.0000 | |
| 105 | F | C | 0.0000 | |
| 106 | R | C | -0.8131 | |
| 107 | P | C | 0.0000 | |
| 108 | K | C | -1.7243 | |
| 109 | R | C | -2.0877 | |
| 110 | L | C | 0.0000 | |
| 111 | N | C | -1.3904 | |
| 112 | F | C | 0.0000 | |
| 113 | K | C | -1.2054 | |
| 114 | L | C | 0.0000 | |
| 115 | F | C | 0.0000 | |
| 116 | N | C | -1.2904 | |
| 117 | I | C | 0.0000 | |
| 118 | Q | C | -0.9600 | |
| 119 | V | C | 0.0000 | |
| 120 | K | C | -0.4314 | |
| 121 | E | C | -0.0696 | |
| 122 | V | C | 0.6278 | |
| 123 | T | C | 0.3173 | |
| 124 | T | C | -0.4287 | |
| 125 | N | C | -1.7724 | |
| 126 | D | C | -2.0939 | |
| 127 | G | C | -0.9334 | |
| 128 | V | C | 0.4950 | |
| 129 | T | C | 0.4985 | |
| 130 | T | C | 0.8548 | |
| 131 | I | C | 1.2963 | |
| 132 | A | C | 0.1086 | |
| 133 | N | C | -1.0557 | |
| 134 | N | C | -0.6150 | |
| 135 | L | C | 0.2944 | |
| 136 | T | C | -0.0040 | |
| 137 | S | C | 0.0000 | |
| 138 | T | C | -0.4884 | |
| 139 | V | C | 0.0000 | |
| 140 | Q | C | -0.4494 | |
| 141 | V | C | 0.0000 | |
| 142 | F | C | 0.0000 | |
| 143 | S | C | -0.4800 | |
| 144 | D | C | 0.0000 | |
| 145 | S | C | -1.2133 | |
| 146 | E | C | -2.2484 | |
| 147 | Y | C | -1.4382 | |
| 148 | Q | C | -1.0476 | |
| 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 | -0.1352 | |
| 155 | S | C | -0.1370 | |
| 156 | A | C | 0.0000 | |
| 157 | H | C | 0.0000 | |
| 158 | Q | C | -0.4608 | |
| 159 | G | C | -0.0860 | |
| 160 | C | C | -0.0211 | |
| 161 | L | C | 0.0000 | |
| 162 | P | C | 0.1558 | |
| 163 | P | C | -0.0358 | |
| 164 | F | C | 0.6720 | |
| 165 | P | C | 0.1160 | |
| 166 | A | C | -0.0540 | |
| 167 | D | C | -0.3195 | |
| 168 | V | C | 1.3187 | |
| 169 | F | C | 0.0000 | |
| 170 | M | C | 1.2382 | |
| 171 | I | C | 0.0000 | |
| 172 | P | C | 0.0000 | |
| 173 | Q | C | 0.1154 | |
| 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 | 0.0000 | |
| 180 | N | C | 0.0000 | |
| 181 | N | C | -1.2310 | |
| 182 | G | C | -1.0992 | |
| 183 | S | C | -0.9990 | |
| 184 | Q | C | -1.2445 | |
| 185 | A | C | -0.5612 | |
| 186 | V | C | -0.1514 | |
| 187 | G | C | -0.3093 | |
| 188 | R | C | -0.3008 | |
| 189 | S | C | 0.0000 | |
| 190 | S | C | 0.0000 | |
| 191 | F | C | 0.2203 | |
| 192 | Y | C | 0.0000 | |
| 193 | C | C | 0.3831 | |
| 194 | L | C | 0.0000 | |
| 195 | E | C | -0.4852 | |
| 196 | Y | C | 0.8098 | |
| 197 | F | C | 0.0000 | |
| 198 | P | C | -0.3606 | |
| 199 | S | C | -0.5683 | |
| 200 | Q | C | -1.1272 | |
| 201 | M | C | -0.2327 | |
| 202 | L | C | 0.0000 | |
| 203 | R | C | -1.6940 | |
| 204 | T | C | -1.3470 | |
| 205 | G | C | -1.7156 | |
| 206 | N | C | -2.1321 | |
| 207 | N | C | -1.8401 | |
| 208 | F | C | 0.0000 | |
| 209 | T | C | -0.6065 | |
| 210 | F | C | -0.2709 | |
| 211 | S | C | -0.7579 | |
| 212 | Y | C | -0.8209 | |
| 213 | T | C | -1.3887 | |
| 214 | F | C | 0.0000 | |
| 215 | E | C | -2.1422 | |
| 216 | E | C | -2.1280 | |
| 217 | V | C | 0.0000 | |
| 218 | P | C | -0.5824 | |
| 219 | F | C | -0.1009 | |
| 220 | H | C | 0.0000 | |
| 221 | S | C | 0.0000 | |
| 222 | S | C | 0.0000 | |
| 223 | Y | C | 0.0000 | |
| 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 | 0.1891 | |
| 233 | M | C | 0.0000 | |
| 234 | N | C | 0.0000 | |
| 235 | P | C | 0.0000 | |
| 236 | L | C | 0.4861 | |
| 237 | I | C | 0.0781 | |
| 238 | D | C | -0.4997 | |
| 239 | Q | C | 0.0000 | |
| 240 | Y | C | 0.0000 | |
| 241 | L | C | 0.0000 | |
| 242 | Y | C | 0.0000 | |
| 243 | Y | C | -0.0218 | |
| 244 | L | C | 0.0000 | |
| 245 | N | C | -0.5160 | |
| 246 | R | C | -0.9700 | |
| 247 | T | C | 0.0000 | |
| 248 | Q | C | -2.2434 | |
| 249 | N | C | -2.1863 | |
| 250 | Q | C | -2.1985 | |
| 251 | S | C | -1.4889 | |
| 252 | G | C | -1.2896 | |
| 253 | S | C | -1.0779 | |
| 254 | A | C | -1.4472 | |
| 255 | Q | C | -2.6836 | |
| 256 | N | C | -2.8942 | |
| 257 | K | C | -2.4185 | |
| 258 | D | C | -1.8959 | |
| 259 | L | C | 0.0000 | |
| 260 | L | C | -0.5073 | |
| 261 | F | C | 0.0000 | |
| 262 | S | C | 0.0000 | |
| 263 | R | C | -0.6053 | |
| 264 | G | C | 0.0000 | |
| 265 | S | C | -0.2503 | |
| 266 | P | C | -0.0414 | |
| 267 | A | C | -0.1245 | |
| 268 | G | C | -0.1900 | |
| 269 | M | C | 0.0000 | |
| 270 | S | C | 0.0000 | |
| 271 | V | C | 0.0639 | |
| 272 | Q | C | 0.0000 | |
| 273 | P | C | 0.0000 | |
| 274 | K | C | -0.1295 | |
| 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 | -0.1215 | |
| 287 | V | C | 0.0000 | |
| 288 | S | C | 0.0000 | |
| 289 | K | C | -1.4627 | |
| 290 | T | C | -1.1701 | |
| 291 | K | C | -1.7057 | |
| 292 | T | C | -1.2417 | |
| 293 | D | C | -1.2302 | |
| 294 | N | C | 0.0000 | |
| 295 | N | C | 0.0000 | |
| 296 | N | C | -2.1338 | |
| 297 | S | C | -1.6234 | |
| 298 | N | C | -1.3887 | |
| 299 | F | C | 0.0000 | |
| 300 | T | C | 0.0000 | |
| 301 | W | C | 0.1465 | |
| 302 | T | C | -0.0037 | |
| 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 | -0.5938 | |
| 311 | G | C | -0.6950 | |
| 312 | R | C | 0.0000 | |
| 313 | E | C | -0.4987 | |
| 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 | -0.0745 | |
| 322 | M | C | 0.0000 | |
| 323 | A | C | 0.0000 | |
| 324 | S | C | 0.0000 | |
| 325 | H | C | 0.0000 | |
| 326 | K | C | -1.7189 | |
| 327 | D | C | -2.1829 | |
| 328 | D | C | -2.9480 | |
| 329 | E | C | -2.6472 | |
| 330 | D | C | -3.3222 | |
| 331 | K | C | -2.3836 | |
| 332 | F | C | -1.5557 | |
| 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 | -1.3720 | |
| 343 | K | C | -2.3158 | |
| 344 | E | C | -2.3076 | |
| 345 | S | C | -1.7131 | |
| 346 | A | C | 0.0000 | |
| 347 | G | C | -0.9215 | |
| 348 | A | C | -0.4916 | |
| 349 | S | C | -0.5454 | |
| 350 | N | C | -0.6950 | |
| 351 | T | C | 0.0000 | |
| 352 | A | C | -0.6495 | |
| 353 | L | C | -0.8808 | |
| 354 | D | C | -1.8855 | |
| 355 | N | C | -1.7079 | |
| 356 | V | C | 0.0000 | |
| 357 | M | C | 0.0000 | |
| 358 | I | C | -0.2381 | |
| 359 | T | C | 0.0000 | |
| 360 | D | C | -1.2446 | |
| 361 | E | C | 0.0000 | |
| 362 | E | C | -1.4793 | |
| 363 | E | C | -0.8046 | |
| 364 | I | C | 0.0000 | |
| 365 | K | C | -0.6527 | |
| 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 | -0.6076 | |
| 374 | R | C | -0.9326 | |
| 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 | -0.1302 | |
| 381 | N | C | -0.3217 | |
| 382 | F | C | 0.1331 | |
| 383 | Q | C | 0.0000 | |
| 384 | S | C | -0.9712 | |
| 385 | S | C | -1.2390 | |
| 386 | S | C | -0.9643 | |
| 387 | T | C | -1.1301 | |
| 388 | D | C | -2.0334 | |
| 389 | P | C | -0.9147 | |
| 390 | A | C | -0.3470 | |
| 391 | T | C | -0.3881 | |
| 392 | G | C | -0.9251 | |
| 393 | D | C | -1.8945 | |
| 394 | V | C | 0.0000 | |
| 395 | H | C | -0.6955 | |
| 396 | A | C | -0.2751 | |
| 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 | -0.4264 | |
| 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 | -1.0607 | |
| 420 | I | C | 0.0000 | |
| 421 | P | C | 0.0000 | |
| 422 | H | C | -1.1776 | |
| 423 | T | C | -0.7150 | |
| 424 | D | C | -0.8138 | |
| 425 | G | C | 0.0000 | |
| 426 | H | C | -0.7542 | |
| 427 | F | C | 0.0000 | |
| 428 | H | C | -0.4889 | |
| 429 | P | C | -0.5410 | |
| 430 | S | C | -0.3607 | |
| 431 | P | C | 0.0000 | |
| 432 | L | C | 0.0000 | |
| 433 | M | C | 0.0000 | |
| 434 | G | C | 0.0000 | |
| 435 | G | C | -0.1317 | |
| 436 | F | C | 0.0000 | |
| 437 | G | C | -0.7986 | |
| 438 | L | C | 0.0000 | |
| 439 | K | C | -2.5520 | |
| 440 | N | C | -2.4721 | |
| 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 | 0.1669 | |
| 451 | P | C | 0.1040 | |
| 452 | V | C | 0.3937 | |
| 453 | P | C | 0.1221 | |
| 454 | A | C | -0.2861 | |
| 455 | N | C | -1.3171 | |
| 456 | P | C | -0.8438 | |
| 457 | P | C | -0.8208 | |
| 458 | A | C | -0.7374 | |
| 459 | E | C | -1.0136 | |
| 460 | F | C | 0.8850 | |
| 461 | S | C | 0.0422 | |
| 462 | A | C | 0.0469 | |
| 463 | T | C | -0.4693 | |
| 464 | K | C | -1.3460 | |
| 465 | F | C | -0.0494 | |
| 466 | A | C | -0.0799 | |
| 467 | S | C | -0.2628 | |
| 468 | F | C | 0.2549 | |
| 469 | I | C | 0.4550 | |
| 470 | T | C | 0.1445 | |
| 471 | Q | C | 0.0000 | |
| 472 | Y | C | 0.3604 | |
| 473 | S | C | 0.0000 | |
| 474 | T | C | 0.0240 | |
| 475 | G | C | 0.0000 | |
| 476 | Q | C | -0.3766 | |
| 477 | V | C | 0.0000 | |
| 478 | S | C | 0.0000 | |
| 479 | V | C | 0.0000 | |
| 480 | E | C | -1.3212 | |
| 481 | I | C | 0.0000 | |
| 482 | E | C | -1.0330 | |
| 483 | W | C | 0.0000 | |
| 484 | E | C | -1.2632 | |
| 485 | L | C | 0.0000 | |
| 486 | Q | C | -1.8767 | |
| 487 | K | C | -2.5542 | |
| 488 | E | C | -2.2593 | |
| 489 | N | C | -1.8886 | |
| 490 | S | C | -1.1217 | |
| 491 | K | C | -0.2822 | |
| 492 | R | C | 0.0000 | |
| 493 | W | C | 1.1426 | |
| 494 | N | C | 0.0581 | |
| 495 | P | C | -0.3218 | |
| 496 | E | C | -0.3598 | |
| 497 | V | C | -0.0606 | |
| 498 | Q | C | -0.6809 | |
| 499 | Y | C | -0.5314 | |
| 500 | T | C | -0.6009 | |
| 501 | S | C | -0.5685 | |
| 502 | N | C | -0.9154 | |
| 503 | Y | C | 0.2887 | |
| 504 | A | C | -0.5901 | |
| 505 | K | C | -1.6211 | |
| 506 | S | C | -1.1161 | |
| 507 | A | C | -0.8082 | |
| 508 | N | C | -1.0603 | |
| 509 | V | C | 0.3217 | |
| 510 | D | C | -0.7850 | |
| 511 | F | C | 0.0000 | |
| 512 | T | C | 0.3441 | |
| 513 | V | C | 0.4326 | |
| 514 | D | C | -1.0660 | |
| 515 | N | C | -2.0515 | |
| 516 | N | C | -1.8129 | |
| 517 | G | C | -0.9981 | |
| 518 | L | C | -0.0715 | |
| 519 | Y | C | -0.0134 | |
| 520 | T | C | -0.3673 | |
| 521 | E | C | -1.0512 | |
| 522 | P | C | -0.9925 | |
| 523 | R | C | -1.1149 | |
| 524 | P | C | -0.6205 | |
| 525 | I | C | 0.0000 | |
| 526 | G | C | -0.2928 | |
| 527 | T | C | 0.0000 | |
| 528 | R | C | 0.0000 | |
| 529 | Y | C | -0.0250 | |
| 530 | L | C | 0.0000 | |
| 531 | T | C | 0.0000 | |
| 532 | R | C | -0.7039 | |
| 533 | P | C | -0.2128 | |
| 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 | -0.1647 | 4.3975 | View | CSV | PDB |
| 4.5 | -0.2015 | 4.2935 | View | CSV | PDB |
| 5.0 | -0.2448 | 4.1241 | View | CSV | PDB |
| 5.5 | -0.2887 | 3.9744 | View | CSV | PDB |
| 6.0 | -0.3273 | 3.9736 | View | CSV | PDB |
| 6.5 | -0.3563 | 3.982 | View | CSV | PDB |
| 7.0 | -0.3757 | 3.9981 | View | CSV | PDB |
| 7.5 | -0.3884 | 4.0185 | View | CSV | PDB |
| 8.0 | -0.3965 | 4.0405 | View | CSV | PDB |
| 8.5 | -0.3994 | 4.0628 | View | CSV | PDB |
| 9.0 | -0.3956 | 4.0843 | View | CSV | PDB |
ALA alanine
ARG arginine
ASN asparagine
ASP aspartic acid
CYS cysteine
GLN glutamine
GLU glutamic acid
GLY glycine
HIS histidine
ILE isoleucine
LEU leucine
LYS lysine
MET methionine
PHE phenylalanine
PRO proline
SER serine
THR threonine
TRP tryptophan
TYR tyrosine
VAL valine