| 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. (00:00:06)
[INFO] FoldX: Starting FoldX energy minimization (00:00:06)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:06:42)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/62991396f70495/tmp/folded.pdb (00:06:42)
[INFO] Main: Simulation completed successfully. (00:21:30)
|
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 | -2.4748 | |
| 18 | G | A | -1.2547 | |
| 19 | V | A | 0.3687 | |
| 20 | G | A | -0.6337 | |
| 21 | N | A | -1.7163 | |
| 22 | A | A | -1.3043 | |
| 23 | S | A | -1.4148 | |
| 24 | G | A | -1.1662 | |
| 25 | N | A | -1.1238 | |
| 26 | W | A | -0.3017 | |
| 27 | H | A | -1.1753 | |
| 28 | C | A | -0.9945 | |
| 29 | D | A | -1.8075 | |
| 30 | S | A | -0.9057 | |
| 31 | T | A | -0.3345 | |
| 32 | W | A | -0.2854 | |
| 33 | L | A | -0.3870 | |
| 34 | G | A | -1.4438 | |
| 35 | D | A | -2.5773 | |
| 36 | R | A | -1.8251 | |
| 37 | V | A | 0.0000 | |
| 38 | I | A | -0.3879 | |
| 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 | 0.4435 | |
| 45 | W | A | 0.0000 | |
| 46 | A | A | 0.6908 | |
| 47 | L | A | 0.0000 | |
| 48 | P | A | 0.0992 | |
| 49 | T | A | -0.2419 | |
| 50 | Y | A | -0.2375 | |
| 51 | N | A | -0.7724 | |
| 52 | N | A | -1.1117 | |
| 53 | H | A | -0.3754 | |
| 54 | L | A | 0.0242 | |
| 55 | Y | A | -0.3272 | |
| 56 | K | A | -1.3628 | |
| 57 | Q | A | -1.3772 | |
| 58 | I | A | -0.4224 | |
| 59 | S | A | -0.4919 | |
| 60 | S | A | 0.0000 | |
| 61 | A | A | -0.3917 | |
| 62 | S | A | -0.3236 | |
| 63 | T | A | -0.4397 | |
| 64 | G | A | -0.7767 | |
| 65 | A | A | -0.8011 | |
| 66 | S | A | -1.0947 | |
| 67 | N | A | -1.7582 | |
| 68 | D | A | -1.2016 | |
| 69 | N | A | -0.9111 | |
| 70 | H | A | -1.0214 | |
| 71 | Y | A | -0.3654 | |
| 72 | F | A | 0.0000 | |
| 73 | G | A | 0.0000 | |
| 74 | Y | A | -0.4236 | |
| 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 | -1.0860 | |
| 92 | P | A | -1.4655 | |
| 93 | R | A | -2.5180 | |
| 94 | D | A | -1.7938 | |
| 95 | W | A | 0.0000 | |
| 96 | Q | A | -2.0779 | |
| 97 | R | A | -2.4059 | |
| 98 | L | A | 0.0000 | |
| 99 | I | A | 0.0000 | |
| 100 | N | A | 0.0000 | |
| 101 | N | A | -1.8165 | |
| 102 | N | A | 0.0000 | |
| 103 | W | A | -0.9031 | |
| 104 | G | A | 0.0000 | |
| 105 | F | A | 0.0000 | |
| 106 | R | A | -0.8538 | |
| 107 | P | A | 0.0000 | |
| 108 | K | A | -1.5506 | |
| 109 | R | A | -1.0739 | |
| 110 | L | A | 0.0000 | |
| 111 | N | A | -0.8936 | |
| 112 | F | A | 0.0000 | |
| 113 | K | A | -0.9907 | |
| 114 | L | A | 0.0000 | |
| 115 | F | A | 0.0000 | |
| 116 | N | A | -1.1089 | |
| 117 | I | A | 0.0000 | |
| 118 | Q | A | -1.0594 | |
| 119 | V | A | 0.0000 | |
| 120 | K | A | -0.4053 | |
| 121 | E | A | -0.0202 | |
| 122 | V | A | 0.6759 | |
| 123 | T | A | 0.3555 | |
| 124 | T | A | -0.3985 | |
| 125 | N | A | -1.7712 | |
| 126 | D | A | -2.0950 | |
| 127 | G | A | -0.9359 | |
| 128 | V | A | 0.4978 | |
| 129 | T | A | 0.5371 | |
| 130 | T | A | 0.9424 | |
| 131 | I | A | 1.4870 | |
| 132 | A | A | 0.2042 | |
| 133 | N | A | -1.0232 | |
| 134 | N | A | -0.5903 | |
| 135 | L | A | 0.2696 | |
| 136 | T | A | -0.0166 | |
| 137 | S | A | 0.0000 | |
| 138 | T | A | -0.5469 | |
| 139 | V | A | 0.0000 | |
| 140 | Q | A | -0.5196 | |
| 141 | V | A | 0.0000 | |
| 142 | F | A | 0.0000 | |
| 143 | S | A | -0.3880 | |
| 144 | D | A | 0.0000 | |
| 145 | S | A | -1.1181 | |
| 146 | E | A | -2.2028 | |
| 147 | Y | A | -1.3876 | |
| 148 | Q | A | -0.9173 | |
| 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 | -0.1377 | |
| 155 | S | A | -0.1816 | |
| 156 | A | A | 0.0000 | |
| 157 | H | A | 0.0000 | |
| 158 | Q | A | -0.6620 | |
| 159 | G | A | -0.1541 | |
| 160 | C | A | -0.0418 | |
| 161 | L | A | 0.0000 | |
| 162 | P | A | 0.1516 | |
| 163 | P | A | -0.0312 | |
| 164 | F | A | 0.7141 | |
| 165 | P | A | 0.1189 | |
| 166 | A | A | -0.0666 | |
| 167 | D | A | -0.3711 | |
| 168 | V | A | 1.3283 | |
| 169 | F | A | 0.0000 | |
| 170 | M | A | 1.3862 | |
| 171 | I | A | 0.0000 | |
| 172 | P | A | 0.0000 | |
| 173 | Q | A | 0.1289 | |
| 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 | 0.0981 | |
| 180 | N | A | 0.0000 | |
| 181 | N | A | -1.0681 | |
| 182 | G | A | -1.0870 | |
| 183 | S | A | -0.9556 | |
| 184 | Q | A | -1.1198 | |
| 185 | A | A | -0.3360 | |
| 186 | V | A | 0.2369 | |
| 187 | G | A | -0.1447 | |
| 188 | R | A | -0.1933 | |
| 189 | S | A | 0.0000 | |
| 190 | S | A | 0.0000 | |
| 191 | F | A | 0.3890 | |
| 192 | Y | A | 0.0000 | |
| 193 | C | A | 0.4630 | |
| 194 | L | A | 0.0000 | |
| 195 | E | A | -0.5800 | |
| 196 | Y | A | 0.9145 | |
| 197 | F | A | 0.1116 | |
| 198 | P | A | -0.3187 | |
| 199 | S | A | -0.5947 | |
| 200 | Q | A | -1.1777 | |
| 201 | M | A | -0.3418 | |
| 202 | L | A | 0.0000 | |
| 203 | R | A | -1.7672 | |
| 204 | T | A | -1.3480 | |
| 205 | G | A | 0.0000 | |
| 206 | N | A | -1.9903 | |
| 207 | N | A | -1.6928 | |
| 208 | F | A | -0.5739 | |
| 209 | T | A | -0.3380 | |
| 210 | F | A | 0.1008 | |
| 211 | S | A | -0.3572 | |
| 212 | Y | A | -0.4325 | |
| 213 | T | A | -0.9696 | |
| 214 | F | A | 0.0000 | |
| 215 | E | A | -2.0360 | |
| 216 | E | A | -2.1680 | |
| 217 | V | A | 0.0000 | |
| 218 | P | A | -0.5622 | |
| 219 | F | A | -0.0934 | |
| 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 | 0.1867 | |
| 233 | M | A | 0.0000 | |
| 234 | N | A | 0.0000 | |
| 235 | P | A | 0.0000 | |
| 236 | L | A | 0.4235 | |
| 237 | I | A | -0.0680 | |
| 238 | D | A | -0.7790 | |
| 239 | Q | A | 0.0000 | |
| 240 | Y | A | 0.0000 | |
| 241 | L | A | 0.0000 | |
| 242 | Y | A | 0.0000 | |
| 243 | Y | A | -0.0549 | |
| 244 | L | A | 0.0000 | |
| 245 | N | A | -0.5596 | |
| 246 | R | A | -0.9474 | |
| 247 | T | A | 0.0000 | |
| 248 | Q | A | 0.0000 | |
| 249 | N | A | -2.2583 | |
| 250 | Q | A | -2.3659 | |
| 251 | S | A | -1.5239 | |
| 252 | G | A | -1.4107 | |
| 253 | S | A | -1.0882 | |
| 254 | A | A | -1.5180 | |
| 255 | Q | A | -2.7374 | |
| 256 | N | A | -2.9070 | |
| 257 | K | A | -2.3724 | |
| 258 | D | A | -1.7485 | |
| 259 | L | A | 0.0000 | |
| 260 | L | A | -0.4531 | |
| 261 | F | A | 0.0000 | |
| 262 | S | A | 0.0000 | |
| 263 | R | A | -0.6933 | |
| 264 | G | A | 0.0000 | |
| 265 | S | A | -0.3380 | |
| 266 | P | A | -0.1214 | |
| 267 | A | A | -0.1067 | |
| 268 | G | A | -0.1818 | |
| 269 | M | A | 0.0000 | |
| 270 | S | A | 0.0000 | |
| 271 | V | A | 0.0915 | |
| 272 | Q | A | 0.0000 | |
| 273 | P | A | 0.0000 | |
| 274 | K | A | -0.1350 | |
| 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 | -0.0824 | |
| 287 | V | A | 0.0000 | |
| 288 | S | A | 0.0000 | |
| 289 | K | A | -1.6390 | |
| 290 | T | A | -1.2788 | |
| 291 | K | A | -1.8170 | |
| 292 | T | A | -1.3011 | |
| 293 | D | A | -1.3226 | |
| 294 | N | A | 0.0000 | |
| 295 | N | A | 0.0000 | |
| 296 | N | A | -2.3285 | |
| 297 | S | A | -1.6648 | |
| 298 | N | A | -1.3181 | |
| 299 | F | A | 0.0000 | |
| 300 | T | A | 0.0000 | |
| 301 | W | A | 0.1745 | |
| 302 | T | A | 0.0133 | |
| 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 | -0.4840 | |
| 309 | L | A | 0.0000 | |
| 310 | N | A | -0.7820 | |
| 311 | G | A | -0.9327 | |
| 312 | R | A | 0.0000 | |
| 313 | E | A | -0.5933 | |
| 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 | -0.0726 | |
| 322 | M | A | 0.0000 | |
| 323 | A | A | 0.0000 | |
| 324 | S | A | 0.0000 | |
| 325 | H | A | 0.0000 | |
| 326 | K | A | -1.8097 | |
| 327 | D | A | -2.2315 | |
| 328 | D | A | -2.9821 | |
| 329 | E | A | -2.7064 | |
| 330 | D | A | -3.4781 | |
| 331 | K | A | -2.5853 | |
| 332 | F | A | 0.0000 | |
| 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 | -1.3674 | |
| 343 | K | A | -2.3096 | |
| 344 | E | A | -2.3162 | |
| 345 | S | A | -1.7279 | |
| 346 | A | A | 0.0000 | |
| 347 | G | A | -0.9916 | |
| 348 | A | A | -0.5902 | |
| 349 | S | A | -0.7022 | |
| 350 | N | A | -0.9010 | |
| 351 | T | A | 0.0000 | |
| 352 | A | A | -0.7230 | |
| 353 | L | A | -0.8531 | |
| 354 | D | A | -1.9143 | |
| 355 | N | A | -1.7482 | |
| 356 | V | A | 0.0000 | |
| 357 | M | A | 0.0000 | |
| 358 | I | A | -0.2361 | |
| 359 | T | A | 0.0000 | |
| 360 | D | A | -1.3726 | |
| 361 | E | A | 0.0000 | |
| 362 | E | A | -1.7516 | |
| 363 | E | A | -0.9471 | |
| 364 | I | A | 0.0000 | |
| 365 | K | A | -0.7116 | |
| 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 | -0.5149 | |
| 374 | R | A | -0.8612 | |
| 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 | -0.0308 | |
| 381 | N | A | -0.1654 | |
| 382 | F | A | 0.3844 | |
| 383 | Q | A | 0.0000 | |
| 384 | S | A | -0.8838 | |
| 385 | S | A | -1.2172 | |
| 386 | S | A | -0.9345 | |
| 387 | T | A | -1.0528 | |
| 388 | D | A | -1.9552 | |
| 389 | P | A | -0.8484 | |
| 390 | A | A | -0.3028 | |
| 391 | T | A | -0.3848 | |
| 392 | G | A | -0.9213 | |
| 393 | D | A | -1.8765 | |
| 394 | V | A | 0.0000 | |
| 395 | H | A | -0.6683 | |
| 396 | A | A | -0.2653 | |
| 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 | -0.4266 | |
| 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 | -1.0774 | |
| 420 | I | A | 0.0000 | |
| 421 | P | A | 0.0000 | |
| 422 | H | A | -1.2890 | |
| 423 | T | A | -0.7430 | |
| 424 | D | A | -0.7793 | |
| 425 | G | A | 0.0000 | |
| 426 | H | A | -0.7459 | |
| 427 | F | A | 0.0000 | |
| 428 | H | A | -0.4647 | |
| 429 | P | A | -0.5266 | |
| 430 | S | A | -0.3543 | |
| 431 | P | A | 0.0000 | |
| 432 | L | A | 0.0000 | |
| 433 | M | A | 0.0000 | |
| 434 | G | A | 0.0000 | |
| 435 | G | A | -0.1277 | |
| 436 | F | A | 0.0000 | |
| 437 | G | A | -0.7891 | |
| 438 | L | A | 0.0000 | |
| 439 | K | A | -2.5755 | |
| 440 | N | A | -2.4722 | |
| 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 | 0.0229 | |
| 452 | V | A | 0.3423 | |
| 453 | P | A | 0.0538 | |
| 454 | A | A | -0.3311 | |
| 455 | N | A | -1.3370 | |
| 456 | P | A | -0.9084 | |
| 457 | P | A | -0.8361 | |
| 458 | A | A | -0.7442 | |
| 459 | E | A | -1.0190 | |
| 460 | F | A | 0.8800 | |
| 461 | S | A | 0.0257 | |
| 462 | A | A | 0.0372 | |
| 463 | T | A | -0.5144 | |
| 464 | K | A | -1.4486 | |
| 465 | F | A | -0.2577 | |
| 466 | A | A | -0.2540 | |
| 467 | S | A | -0.3285 | |
| 468 | F | A | 0.2313 | |
| 469 | I | A | 0.5709 | |
| 470 | T | A | 0.1370 | |
| 471 | Q | A | 0.0000 | |
| 472 | Y | A | 0.3768 | |
| 473 | S | A | 0.0000 | |
| 474 | T | A | 0.0143 | |
| 475 | G | A | 0.0000 | |
| 476 | Q | A | -0.3803 | |
| 477 | V | A | 0.0000 | |
| 478 | S | A | -0.6773 | |
| 479 | V | A | 0.0000 | |
| 480 | E | A | -1.0033 | |
| 481 | I | A | 0.0000 | |
| 482 | E | A | -0.8748 | |
| 483 | W | A | 0.0000 | |
| 484 | E | A | -1.5509 | |
| 485 | L | A | 0.0000 | |
| 486 | Q | A | -1.9509 | |
| 487 | K | A | -2.3755 | |
| 488 | E | A | -2.1802 | |
| 489 | N | A | -1.9518 | |
| 490 | S | A | -1.0985 | |
| 491 | K | A | -0.2603 | |
| 492 | R | A | 0.0000 | |
| 493 | W | A | 1.1342 | |
| 494 | N | A | 0.0454 | |
| 495 | P | A | -0.3255 | |
| 496 | E | A | -0.3583 | |
| 497 | V | A | -0.0457 | |
| 498 | Q | A | -0.6637 | |
| 499 | Y | A | -0.5057 | |
| 500 | T | A | -0.4064 | |
| 501 | S | A | -0.7312 | |
| 502 | N | A | -0.9154 | |
| 503 | Y | A | 0.2928 | |
| 504 | A | A | -0.5808 | |
| 505 | K | A | -1.6152 | |
| 506 | S | A | -1.1221 | |
| 507 | A | A | -0.8198 | |
| 508 | N | A | -1.0469 | |
| 509 | V | A | 0.3582 | |
| 510 | D | A | -0.7017 | |
| 511 | F | A | -0.2066 | |
| 512 | T | A | 0.4325 | |
| 513 | V | A | 0.4483 | |
| 514 | D | A | -1.0827 | |
| 515 | N | A | -2.0725 | |
| 516 | N | A | -1.8367 | |
| 517 | G | A | -1.0330 | |
| 518 | L | A | -0.1287 | |
| 519 | Y | A | 0.0104 | |
| 520 | T | A | -0.3069 | |
| 521 | E | A | -0.9704 | |
| 522 | P | A | -0.9353 | |
| 523 | R | A | -1.1014 | |
| 524 | P | A | -0.5593 | |
| 525 | I | A | 0.0000 | |
| 526 | G | A | -0.2998 | |
| 527 | T | A | 0.0000 | |
| 528 | R | A | 0.0000 | |
| 529 | Y | A | -0.0445 | |
| 530 | L | A | 0.0000 | |
| 531 | T | A | 0.0000 | |
| 532 | R | A | -0.6164 | |
| 533 | P | A | 0.0000 | |
| 534 | L | A | 0.0000 | |
| 17 | D | B | -2.4837 | |
| 18 | G | B | -1.2652 | |
| 19 | V | B | 0.3685 | |
| 20 | G | B | -0.6321 | |
| 21 | N | B | -1.7154 | |
| 22 | A | B | -1.2975 | |
| 23 | S | B | -1.4274 | |
| 24 | G | B | -1.1625 | |
| 25 | N | B | -1.1280 | |
| 26 | W | B | -0.3123 | |
| 27 | H | B | -1.2342 | |
| 28 | C | B | -1.0324 | |
| 29 | D | B | -1.8172 | |
| 30 | S | B | -0.8218 | |
| 31 | T | B | -0.2557 | |
| 32 | W | B | -0.2251 | |
| 33 | L | B | -0.3655 | |
| 34 | G | B | -1.4508 | |
| 35 | D | B | -2.5970 | |
| 36 | R | B | -1.7871 | |
| 37 | V | B | 0.0000 | |
| 38 | I | B | -0.4290 | |
| 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 | 0.4029 | |
| 45 | W | B | 0.0000 | |
| 46 | A | B | 0.6942 | |
| 47 | L | B | 0.0000 | |
| 48 | P | B | 0.0826 | |
| 49 | T | B | -0.2124 | |
| 50 | Y | B | -0.1986 | |
| 51 | N | B | -0.7785 | |
| 52 | N | B | -0.9932 | |
| 53 | H | B | -0.1715 | |
| 54 | L | B | 0.5639 | |
| 55 | Y | B | -0.1302 | |
| 56 | K | B | -1.4188 | |
| 57 | Q | B | -1.1337 | |
| 58 | I | B | -0.3902 | |
| 59 | S | B | -0.4676 | |
| 60 | S | B | 0.0000 | |
| 61 | A | B | -0.3949 | |
| 62 | S | B | -0.3277 | |
| 63 | T | B | -0.4379 | |
| 64 | G | B | -0.7749 | |
| 65 | A | B | -0.7971 | |
| 66 | S | B | -1.0901 | |
| 67 | N | B | -1.7451 | |
| 68 | D | B | -1.1506 | |
| 69 | N | B | -0.9089 | |
| 70 | H | B | -1.0341 | |
| 71 | Y | B | -0.4250 | |
| 72 | F | B | 0.0000 | |
| 73 | G | B | 0.0000 | |
| 74 | Y | B | -0.3838 | |
| 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 | -0.2311 | |
| 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 | -0.9950 | |
| 92 | P | B | -1.3831 | |
| 93 | R | B | -2.3766 | |
| 94 | D | B | 0.0000 | |
| 95 | W | B | 0.0000 | |
| 96 | Q | B | -1.9554 | |
| 97 | R | B | -2.1768 | |
| 98 | L | B | 0.0000 | |
| 99 | I | B | 0.0000 | |
| 100 | N | B | 0.0000 | |
| 101 | N | B | -1.7706 | |
| 102 | N | B | 0.0000 | |
| 103 | W | B | -0.8592 | |
| 104 | G | B | 0.0000 | |
| 105 | F | B | 0.0000 | |
| 106 | R | B | -0.9746 | |
| 107 | P | B | 0.0000 | |
| 108 | K | B | -2.2196 | |
| 109 | R | B | -2.5717 | |
| 110 | L | B | 0.0000 | |
| 111 | N | B | -1.5242 | |
| 112 | F | B | 0.0000 | |
| 113 | K | B | -0.9955 | |
| 114 | L | B | 0.0000 | |
| 115 | F | B | 0.0000 | |
| 116 | N | B | -1.1107 | |
| 117 | I | B | 0.0000 | |
| 118 | Q | B | -1.0388 | |
| 119 | V | B | 0.0000 | |
| 120 | K | B | -0.3452 | |
| 121 | E | B | 0.0369 | |
| 122 | V | B | 0.7569 | |
| 123 | T | B | 0.4127 | |
| 124 | T | B | -0.3677 | |
| 125 | N | B | -1.7668 | |
| 126 | D | B | -2.0943 | |
| 127 | G | B | -0.9340 | |
| 128 | V | B | 0.4994 | |
| 129 | T | B | 0.5761 | |
| 130 | T | B | 1.0117 | |
| 131 | I | B | 1.6132 | |
| 132 | A | B | 0.2734 | |
| 133 | N | B | -0.9717 | |
| 134 | N | B | -0.5496 | |
| 135 | L | B | 0.3155 | |
| 136 | T | B | -0.0094 | |
| 137 | S | B | 0.0000 | |
| 138 | T | B | -0.5809 | |
| 139 | V | B | 0.0000 | |
| 140 | Q | B | -0.5852 | |
| 141 | V | B | 0.0000 | |
| 142 | F | B | 0.0000 | |
| 143 | S | B | -0.3984 | |
| 144 | D | B | 0.0000 | |
| 145 | S | B | -1.1328 | |
| 146 | E | B | -2.1972 | |
| 147 | Y | B | -1.3413 | |
| 148 | Q | B | -0.9015 | |
| 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 | -0.1393 | |
| 155 | S | B | -0.1785 | |
| 156 | A | B | 0.0000 | |
| 157 | H | B | 0.0000 | |
| 158 | Q | B | -0.6497 | |
| 159 | G | B | -0.1482 | |
| 160 | C | B | -0.0425 | |
| 161 | L | B | 0.0000 | |
| 162 | P | B | 0.0928 | |
| 163 | P | B | -0.0705 | |
| 164 | F | B | 0.6384 | |
| 165 | P | B | 0.0443 | |
| 166 | A | B | -0.1775 | |
| 167 | D | B | -0.6079 | |
| 168 | V | B | 1.2150 | |
| 169 | F | B | 0.0000 | |
| 170 | M | B | 1.3869 | |
| 171 | I | B | 0.0000 | |
| 172 | P | B | 0.0000 | |
| 173 | Q | B | 0.1051 | |
| 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 | -1.2399 | |
| 182 | G | B | -1.1614 | |
| 183 | S | B | -1.0004 | |
| 184 | Q | B | -1.2212 | |
| 185 | A | B | -0.5103 | |
| 186 | V | B | -0.0314 | |
| 187 | G | B | -0.2725 | |
| 188 | R | B | -0.2638 | |
| 189 | S | B | 0.0000 | |
| 190 | S | B | 0.0000 | |
| 191 | F | B | 0.4236 | |
| 192 | Y | B | 0.0000 | |
| 193 | C | B | 0.3892 | |
| 194 | L | B | 0.0000 | |
| 195 | E | B | -0.7891 | |
| 196 | Y | B | 0.8096 | |
| 197 | F | B | 0.0425 | |
| 198 | P | B | -0.3606 | |
| 199 | S | B | -0.6367 | |
| 200 | Q | B | -1.2324 | |
| 201 | M | B | -0.4086 | |
| 202 | L | B | 0.0000 | |
| 203 | R | B | -1.8554 | |
| 204 | T | B | -1.3775 | |
| 205 | G | B | 0.0000 | |
| 206 | N | B | -2.0944 | |
| 207 | N | B | -1.7684 | |
| 208 | F | B | 0.0000 | |
| 209 | T | B | -0.4386 | |
| 210 | F | B | -0.0221 | |
| 211 | S | B | -0.7613 | |
| 212 | Y | B | -0.8441 | |
| 213 | T | B | -1.6659 | |
| 214 | F | B | 0.0000 | |
| 215 | E | B | -2.3347 | |
| 216 | E | B | -2.2533 | |
| 217 | V | B | 0.0000 | |
| 218 | P | B | -0.5826 | |
| 219 | F | B | -0.0984 | |
| 220 | H | B | 0.0000 | |
| 221 | S | B | 0.0000 | |
| 222 | S | B | 0.0000 | |
| 223 | Y | B | -0.0491 | |
| 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 | 0.1792 | |
| 233 | M | B | 0.0000 | |
| 234 | N | B | 0.0000 | |
| 235 | P | B | 0.0000 | |
| 236 | L | B | 0.4649 | |
| 237 | I | B | 0.0331 | |
| 238 | D | B | -0.5940 | |
| 239 | Q | B | 0.0000 | |
| 240 | Y | B | 0.0000 | |
| 241 | L | B | 0.0000 | |
| 242 | Y | B | 0.0000 | |
| 243 | Y | B | -0.0583 | |
| 244 | L | B | 0.0000 | |
| 245 | N | B | -0.5813 | |
| 246 | R | B | -0.9546 | |
| 247 | T | B | 0.0000 | |
| 248 | Q | B | -2.2209 | |
| 249 | N | B | -2.3194 | |
| 250 | Q | B | -2.3780 | |
| 251 | S | B | -1.5299 | |
| 252 | G | B | -1.4170 | |
| 253 | S | B | -1.0879 | |
| 254 | A | B | -1.5239 | |
| 255 | Q | B | -2.8141 | |
| 256 | N | B | -2.9904 | |
| 257 | K | B | -2.5112 | |
| 258 | D | B | -1.7966 | |
| 259 | L | B | 0.0000 | |
| 260 | L | B | -0.4468 | |
| 261 | F | B | 0.0000 | |
| 262 | S | B | 0.0000 | |
| 263 | R | B | -0.6724 | |
| 264 | G | B | 0.0000 | |
| 265 | S | B | -0.2837 | |
| 266 | P | B | -0.0876 | |
| 267 | A | B | -0.1357 | |
| 268 | G | B | -0.1897 | |
| 269 | M | B | 0.0000 | |
| 270 | S | B | 0.0000 | |
| 271 | V | B | 0.0684 | |
| 272 | Q | B | 0.0000 | |
| 273 | P | B | 0.0000 | |
| 274 | K | B | -0.1274 | |
| 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 | -0.0417 | |
| 287 | V | B | 0.0000 | |
| 288 | S | B | 0.0000 | |
| 289 | K | B | -1.4501 | |
| 290 | T | B | -1.1612 | |
| 291 | K | B | -1.7406 | |
| 292 | T | B | -1.2706 | |
| 293 | D | B | -1.2735 | |
| 294 | N | B | 0.0000 | |
| 295 | N | B | 0.0000 | |
| 296 | N | B | -2.2149 | |
| 297 | S | B | -1.6267 | |
| 298 | N | B | -1.3207 | |
| 299 | F | B | 0.0000 | |
| 300 | T | B | 0.0000 | |
| 301 | W | B | 0.2142 | |
| 302 | T | B | 0.0342 | |
| 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 | -0.6878 | |
| 311 | G | B | -0.7063 | |
| 312 | R | B | 0.0000 | |
| 313 | E | B | -0.5133 | |
| 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 | -0.0730 | |
| 322 | M | B | 0.0000 | |
| 323 | A | B | 0.0000 | |
| 324 | S | B | 0.0000 | |
| 325 | H | B | 0.0000 | |
| 326 | K | B | -2.0433 | |
| 327 | D | B | -2.3665 | |
| 328 | D | B | -3.0038 | |
| 329 | E | B | -2.6821 | |
| 330 | D | B | -3.4074 | |
| 331 | K | B | -2.3337 | |
| 332 | F | B | -1.6057 | |
| 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 | -1.3592 | |
| 343 | K | B | -2.3088 | |
| 344 | E | B | -2.3183 | |
| 345 | S | B | -1.7273 | |
| 346 | A | B | 0.0000 | |
| 347 | G | B | -0.9940 | |
| 348 | A | B | -0.5865 | |
| 349 | S | B | -0.7144 | |
| 350 | N | B | -0.9253 | |
| 351 | T | B | 0.0000 | |
| 352 | A | B | -0.7039 | |
| 353 | L | B | -0.7851 | |
| 354 | D | B | -1.8824 | |
| 355 | N | B | -1.7280 | |
| 356 | V | B | 0.0000 | |
| 357 | M | B | 0.0000 | |
| 358 | I | B | -0.2259 | |
| 359 | T | B | 0.0000 | |
| 360 | D | B | -1.4599 | |
| 361 | E | B | 0.0000 | |
| 362 | E | B | -1.9048 | |
| 363 | E | B | -1.0017 | |
| 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 | -0.6291 | |
| 374 | R | B | -0.8145 | |
| 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 | -0.0315 | |
| 381 | N | B | -0.2784 | |
| 382 | F | B | 0.1949 | |
| 383 | Q | B | 0.0000 | |
| 384 | S | B | -1.0811 | |
| 385 | S | B | -1.3998 | |
| 386 | S | B | -1.0213 | |
| 387 | T | B | -1.1309 | |
| 388 | D | B | -2.0398 | |
| 389 | P | B | -0.8952 | |
| 390 | A | B | -0.3372 | |
| 391 | T | B | -0.2545 | |
| 392 | G | B | -0.6336 | |
| 393 | D | B | -1.2924 | |
| 394 | V | B | 0.0000 | |
| 395 | H | B | -0.5719 | |
| 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 | -0.4261 | |
| 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 | -0.9751 | |
| 420 | I | B | 0.0000 | |
| 421 | P | B | 0.0000 | |
| 422 | H | B | -1.2788 | |
| 423 | T | B | -0.7516 | |
| 424 | D | B | -0.7758 | |
| 425 | G | B | 0.0000 | |
| 426 | H | B | -0.5678 | |
| 427 | F | B | 0.0000 | |
| 428 | H | B | -0.4334 | |
| 429 | P | B | -0.4278 | |
| 430 | S | B | -0.3334 | |
| 431 | P | B | 0.0000 | |
| 432 | L | B | 0.0000 | |
| 433 | M | B | 0.0000 | |
| 434 | G | B | 0.0000 | |
| 435 | G | B | -0.1296 | |
| 436 | F | B | 0.0000 | |
| 437 | G | B | -0.7161 | |
| 438 | L | B | 0.0000 | |
| 439 | K | B | -2.2039 | |
| 440 | N | B | -2.3022 | |
| 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 | 0.1421 | |
| 451 | P | B | 0.0031 | |
| 452 | V | B | 0.3276 | |
| 453 | P | B | 0.0381 | |
| 454 | A | B | -0.3457 | |
| 455 | N | B | -1.3397 | |
| 456 | P | B | -0.9119 | |
| 457 | P | B | -0.8369 | |
| 458 | A | B | -0.7452 | |
| 459 | E | B | -1.0198 | |
| 460 | F | B | 0.8806 | |
| 461 | S | B | 0.0209 | |
| 462 | A | B | 0.0345 | |
| 463 | T | B | -0.5193 | |
| 464 | K | B | -1.4586 | |
| 465 | F | B | -0.2799 | |
| 466 | A | B | -0.1927 | |
| 467 | S | B | -0.3456 | |
| 468 | F | B | 0.2019 | |
| 469 | I | B | 0.5632 | |
| 470 | T | B | 0.1416 | |
| 471 | Q | B | 0.0000 | |
| 472 | Y | B | 0.4010 | |
| 473 | S | B | 0.0000 | |
| 474 | T | B | 0.0260 | |
| 475 | G | B | 0.0000 | |
| 476 | Q | B | -0.3472 | |
| 477 | V | B | 0.0000 | |
| 478 | S | B | -0.7246 | |
| 479 | V | B | 0.0000 | |
| 480 | E | B | -1.4210 | |
| 481 | I | B | 0.0000 | |
| 482 | E | B | 0.0000 | |
| 483 | W | B | 0.0000 | |
| 484 | E | B | -1.6662 | |
| 485 | L | B | 0.0000 | |
| 486 | Q | B | -1.9851 | |
| 487 | K | B | -2.4447 | |
| 488 | E | B | -2.2041 | |
| 489 | N | B | -2.0103 | |
| 490 | S | B | -1.0998 | |
| 491 | K | B | -0.2718 | |
| 492 | R | B | 0.0000 | |
| 493 | W | B | 1.1485 | |
| 494 | N | B | 0.0605 | |
| 495 | P | B | -0.3201 | |
| 496 | E | B | -0.3575 | |
| 497 | V | B | -0.0358 | |
| 498 | Q | B | -0.6532 | |
| 499 | Y | B | -0.4974 | |
| 500 | T | B | -0.4153 | |
| 501 | S | B | -0.7638 | |
| 502 | N | B | -0.9172 | |
| 503 | Y | B | 0.2938 | |
| 504 | A | B | -0.5787 | |
| 505 | K | B | -1.6143 | |
| 506 | S | B | -1.1199 | |
| 507 | A | B | -0.8233 | |
| 508 | N | B | -1.0564 | |
| 509 | V | B | 0.3501 | |
| 510 | D | B | -0.7089 | |
| 511 | F | B | -0.1883 | |
| 512 | T | B | 0.4166 | |
| 513 | V | B | 0.4103 | |
| 514 | D | B | -1.1392 | |
| 515 | N | B | -2.1016 | |
| 516 | N | B | -1.8651 | |
| 517 | G | B | -1.0934 | |
| 518 | L | B | -0.2082 | |
| 519 | Y | B | -0.0304 | |
| 520 | T | B | -0.3161 | |
| 521 | E | B | -0.9664 | |
| 522 | P | B | -0.9331 | |
| 523 | R | B | -1.1103 | |
| 524 | P | B | -0.5702 | |
| 525 | I | B | 0.0000 | |
| 526 | G | B | -0.3199 | |
| 527 | T | B | 0.0000 | |
| 528 | R | B | 0.0000 | |
| 529 | Y | B | -0.0107 | |
| 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 | -2.4979 | |
| 18 | G | C | -1.2676 | |
| 19 | V | C | 0.3795 | |
| 20 | G | C | -0.6331 | |
| 21 | N | C | -1.7081 | |
| 22 | A | C | -1.3023 | |
| 23 | S | C | -1.4476 | |
| 24 | G | C | -1.1862 | |
| 25 | N | C | -1.1184 | |
| 26 | W | C | -0.3026 | |
| 27 | H | C | -1.1961 | |
| 28 | C | C | -0.9994 | |
| 29 | D | C | -1.8039 | |
| 30 | S | C | -0.8138 | |
| 31 | T | C | -0.2411 | |
| 32 | W | C | -0.1699 | |
| 33 | L | C | -0.2113 | |
| 34 | G | C | -1.3805 | |
| 35 | D | C | -2.5507 | |
| 36 | R | C | -1.7091 | |
| 37 | V | C | 0.0000 | |
| 38 | I | C | -0.3247 | |
| 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 | 0.4005 | |
| 45 | W | C | 0.0000 | |
| 46 | A | C | 0.7269 | |
| 47 | L | C | 0.0000 | |
| 48 | P | C | 0.0965 | |
| 49 | T | C | -0.2161 | |
| 50 | Y | C | -0.1858 | |
| 51 | N | C | -0.6539 | |
| 52 | N | C | -1.0303 | |
| 53 | H | C | -0.2546 | |
| 54 | L | C | 0.2992 | |
| 55 | Y | C | -0.1667 | |
| 56 | K | C | -1.2369 | |
| 57 | Q | C | -1.3250 | |
| 58 | I | C | -0.4155 | |
| 59 | S | C | -0.4831 | |
| 60 | S | C | 0.0000 | |
| 61 | A | C | -0.3846 | |
| 62 | S | C | -0.3218 | |
| 63 | T | C | -0.4376 | |
| 64 | G | C | -0.7691 | |
| 65 | A | C | -0.7962 | |
| 66 | S | C | -1.0904 | |
| 67 | N | C | -1.7521 | |
| 68 | D | C | -1.1634 | |
| 69 | N | C | -0.9055 | |
| 70 | H | C | -1.0319 | |
| 71 | Y | C | -0.3827 | |
| 72 | F | C | 0.0000 | |
| 73 | G | C | 0.0000 | |
| 74 | Y | C | -0.4136 | |
| 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 | -0.2356 | |
| 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 | -1.0241 | |
| 92 | P | C | -1.3935 | |
| 93 | R | C | -2.4030 | |
| 94 | D | C | 0.0000 | |
| 95 | W | C | 0.0000 | |
| 96 | Q | C | -1.9951 | |
| 97 | R | C | -2.2896 | |
| 98 | L | C | 0.0000 | |
| 99 | I | C | 0.0000 | |
| 100 | N | C | 0.0000 | |
| 101 | N | C | -1.8350 | |
| 102 | N | C | 0.0000 | |
| 103 | W | C | -0.9605 | |
| 104 | G | C | 0.0000 | |
| 105 | F | C | 0.0000 | |
| 106 | R | C | -0.8759 | |
| 107 | P | C | 0.0000 | |
| 108 | K | C | -1.8271 | |
| 109 | R | C | -1.3644 | |
| 110 | L | C | 0.0000 | |
| 111 | N | C | -0.6447 | |
| 112 | F | C | 0.0000 | |
| 113 | K | C | -0.9645 | |
| 114 | L | C | 0.0000 | |
| 115 | F | C | 0.0000 | |
| 116 | N | C | -1.0388 | |
| 117 | I | C | 0.0000 | |
| 118 | Q | C | -0.8343 | |
| 119 | V | C | 0.0000 | |
| 120 | K | C | -0.4441 | |
| 121 | E | C | -0.0814 | |
| 122 | V | C | 0.4775 | |
| 123 | T | C | 0.3032 | |
| 124 | T | C | -0.4252 | |
| 125 | N | C | -1.7365 | |
| 126 | D | C | -2.0939 | |
| 127 | G | C | -0.9372 | |
| 128 | V | C | 0.4959 | |
| 129 | T | C | 0.4960 | |
| 130 | T | C | 0.8468 | |
| 131 | I | C | 1.2838 | |
| 132 | A | C | 0.0851 | |
| 133 | N | C | -1.0461 | |
| 134 | N | C | -0.6168 | |
| 135 | L | C | 0.2453 | |
| 136 | T | C | -0.0607 | |
| 137 | S | C | 0.0000 | |
| 138 | T | C | -0.5218 | |
| 139 | V | C | 0.0000 | |
| 140 | Q | C | -0.5323 | |
| 141 | V | C | 0.0000 | |
| 142 | F | C | 0.0000 | |
| 143 | S | C | -0.4180 | |
| 144 | D | C | 0.0000 | |
| 145 | S | C | -1.0851 | |
| 146 | E | C | -2.1688 | |
| 147 | Y | C | -1.2693 | |
| 148 | Q | C | -0.9142 | |
| 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 | -0.0985 | |
| 155 | S | C | -0.1267 | |
| 156 | A | C | 0.0000 | |
| 157 | H | C | 0.0000 | |
| 158 | Q | C | -0.4760 | |
| 159 | G | C | -0.0655 | |
| 160 | C | C | -0.0072 | |
| 161 | L | C | 0.0000 | |
| 162 | P | C | 0.0388 | |
| 163 | P | C | -0.1473 | |
| 164 | F | C | 0.4539 | |
| 165 | P | C | -0.0498 | |
| 166 | A | C | -0.2542 | |
| 167 | D | C | -0.7175 | |
| 168 | V | C | 1.1682 | |
| 169 | F | C | 0.0000 | |
| 170 | M | C | 1.3875 | |
| 171 | I | C | 0.0000 | |
| 172 | P | C | 0.0000 | |
| 173 | Q | C | 0.1261 | |
| 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 | 0.0691 | |
| 180 | N | C | 0.0000 | |
| 181 | N | C | -1.1944 | |
| 182 | G | C | -1.1318 | |
| 183 | S | C | -0.9710 | |
| 184 | Q | C | -1.1516 | |
| 185 | A | C | -0.3676 | |
| 186 | V | C | 0.2060 | |
| 187 | G | C | -0.1485 | |
| 188 | R | C | -0.1341 | |
| 189 | S | C | 0.0000 | |
| 190 | S | C | 0.0000 | |
| 191 | F | C | 0.4056 | |
| 192 | Y | C | 0.0000 | |
| 193 | C | C | 0.3623 | |
| 194 | L | C | 0.0000 | |
| 195 | E | C | -0.8679 | |
| 196 | Y | C | 0.7133 | |
| 197 | F | C | 0.0000 | |
| 198 | P | C | -0.4398 | |
| 199 | S | C | -0.6507 | |
| 200 | Q | C | -1.1891 | |
| 201 | M | C | -0.2704 | |
| 202 | L | C | 0.0000 | |
| 203 | R | C | -1.8137 | |
| 204 | T | C | -1.3305 | |
| 205 | G | C | 0.0000 | |
| 206 | N | C | -2.0867 | |
| 207 | N | C | -1.8634 | |
| 208 | F | C | 0.0000 | |
| 209 | T | C | -0.3956 | |
| 210 | F | C | 0.1221 | |
| 211 | S | C | -0.3082 | |
| 212 | Y | C | -0.4598 | |
| 213 | T | C | -1.0772 | |
| 214 | F | C | 0.0000 | |
| 215 | E | C | -2.0362 | |
| 216 | E | C | -2.2281 | |
| 217 | V | C | 0.0000 | |
| 218 | P | C | -0.5623 | |
| 219 | F | C | -0.0789 | |
| 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 | 0.1838 | |
| 233 | M | C | 0.0000 | |
| 234 | N | C | 0.0000 | |
| 235 | P | C | 0.0000 | |
| 236 | L | C | 0.4468 | |
| 237 | I | C | -0.0775 | |
| 238 | D | C | -0.8158 | |
| 239 | Q | C | 0.0000 | |
| 240 | Y | C | 0.0000 | |
| 241 | L | C | 0.0000 | |
| 242 | Y | C | 0.0000 | |
| 243 | Y | C | -0.0528 | |
| 244 | L | C | 0.0000 | |
| 245 | N | C | -0.5475 | |
| 246 | R | C | -0.8922 | |
| 247 | T | C | 0.0000 | |
| 248 | Q | C | 0.0000 | |
| 249 | N | C | -2.2232 | |
| 250 | Q | C | -2.3364 | |
| 251 | S | C | -1.5247 | |
| 252 | G | C | -1.4065 | |
| 253 | S | C | -1.0799 | |
| 254 | A | C | -1.4875 | |
| 255 | Q | C | -2.7225 | |
| 256 | N | C | -2.8728 | |
| 257 | K | C | -2.2873 | |
| 258 | D | C | -1.6968 | |
| 259 | L | C | 0.0000 | |
| 260 | L | C | -0.4212 | |
| 261 | F | C | 0.0000 | |
| 262 | S | C | 0.0000 | |
| 263 | R | C | -0.7026 | |
| 264 | G | C | 0.0000 | |
| 265 | S | C | -0.3514 | |
| 266 | P | C | -0.1156 | |
| 267 | A | C | -0.1049 | |
| 268 | G | C | -0.1872 | |
| 269 | M | C | 0.0000 | |
| 270 | S | C | 0.0000 | |
| 271 | V | C | 0.0702 | |
| 272 | Q | C | 0.0000 | |
| 273 | P | C | 0.0000 | |
| 274 | K | C | -0.1306 | |
| 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 | -0.0667 | |
| 287 | V | C | 0.0000 | |
| 288 | S | C | 0.0000 | |
| 289 | K | C | -1.5130 | |
| 290 | T | C | -1.2727 | |
| 291 | K | C | -1.9096 | |
| 292 | T | C | -1.4661 | |
| 293 | D | C | -1.6336 | |
| 294 | N | C | 0.0000 | |
| 295 | N | C | 0.0000 | |
| 296 | N | C | -2.6135 | |
| 297 | S | C | -1.8145 | |
| 298 | N | C | -1.4210 | |
| 299 | F | C | 0.0000 | |
| 300 | T | C | 0.0000 | |
| 301 | W | C | 0.1722 | |
| 302 | T | C | 0.0123 | |
| 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 | -0.8281 | |
| 311 | G | C | -0.8643 | |
| 312 | R | C | 0.0000 | |
| 313 | E | C | -0.5123 | |
| 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 | -0.0724 | |
| 322 | M | C | 0.0000 | |
| 323 | A | C | 0.0000 | |
| 324 | S | C | 0.0000 | |
| 325 | H | C | 0.0000 | |
| 326 | K | C | -1.8389 | |
| 327 | D | C | -2.2205 | |
| 328 | D | C | -2.9886 | |
| 329 | E | C | -2.7151 | |
| 330 | D | C | -3.4237 | |
| 331 | K | C | -2.5866 | |
| 332 | F | C | -1.6613 | |
| 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 | -1.3587 | |
| 343 | K | C | -2.2935 | |
| 344 | E | C | -2.3138 | |
| 345 | S | C | -1.7216 | |
| 346 | A | C | 0.0000 | |
| 347 | G | C | -0.9820 | |
| 348 | A | C | -0.5538 | |
| 349 | S | C | -0.6900 | |
| 350 | N | C | -0.8734 | |
| 351 | T | C | 0.0000 | |
| 352 | A | C | -0.7136 | |
| 353 | L | C | -0.8116 | |
| 354 | D | C | -1.9044 | |
| 355 | N | C | -1.7394 | |
| 356 | V | C | 0.0000 | |
| 357 | M | C | 0.0000 | |
| 358 | I | C | -0.2242 | |
| 359 | T | C | 0.0000 | |
| 360 | D | C | -1.2689 | |
| 361 | E | C | 0.0000 | |
| 362 | E | C | -1.3899 | |
| 363 | E | C | -0.7202 | |
| 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 | -0.6800 | |
| 374 | R | C | -0.8774 | |
| 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 | -0.0832 | |
| 381 | N | C | -0.2649 | |
| 382 | F | C | 0.2733 | |
| 383 | Q | C | 0.0000 | |
| 384 | S | C | -0.9391 | |
| 385 | S | C | -1.2445 | |
| 386 | S | C | -0.9518 | |
| 387 | T | C | -1.0986 | |
| 388 | D | C | -2.0020 | |
| 389 | P | C | -0.8805 | |
| 390 | A | C | -0.3276 | |
| 391 | T | C | -0.2947 | |
| 392 | G | C | -0.7253 | |
| 393 | D | C | -1.4996 | |
| 394 | V | C | 0.0000 | |
| 395 | H | C | -0.6204 | |
| 396 | A | C | -0.2344 | |
| 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 | -0.4234 | |
| 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 | -0.7405 | |
| 423 | T | C | -0.5384 | |
| 424 | D | C | -0.6929 | |
| 425 | G | C | 0.0000 | |
| 426 | H | C | -0.6426 | |
| 427 | F | C | 0.0000 | |
| 428 | H | C | -0.4940 | |
| 429 | P | C | -0.4483 | |
| 430 | S | C | -0.3355 | |
| 431 | P | C | 0.0000 | |
| 432 | L | C | 0.0000 | |
| 433 | M | C | 0.0000 | |
| 434 | G | C | 0.0000 | |
| 435 | G | C | -0.1266 | |
| 436 | F | C | 0.0000 | |
| 437 | G | C | -0.6112 | |
| 438 | L | C | 0.0000 | |
| 439 | K | C | -1.8386 | |
| 440 | N | C | -1.8977 | |
| 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 | 0.1657 | |
| 451 | P | C | 0.0088 | |
| 452 | V | C | 0.3299 | |
| 453 | P | C | 0.0404 | |
| 454 | A | C | -0.3417 | |
| 455 | N | C | -1.3382 | |
| 456 | P | C | -0.9065 | |
| 457 | P | C | -0.8348 | |
| 458 | A | C | -0.7438 | |
| 459 | E | C | -1.0198 | |
| 460 | F | C | 0.8815 | |
| 461 | S | C | 0.0252 | |
| 462 | A | C | 0.0355 | |
| 463 | T | C | -0.5159 | |
| 464 | K | C | -1.4535 | |
| 465 | F | C | -0.2699 | |
| 466 | A | C | -0.2362 | |
| 467 | S | C | -0.3412 | |
| 468 | F | C | 0.2080 | |
| 469 | I | C | 0.5575 | |
| 470 | T | C | 0.1286 | |
| 471 | Q | C | 0.0000 | |
| 472 | Y | C | 0.3795 | |
| 473 | S | C | 0.0000 | |
| 474 | T | C | 0.1053 | |
| 475 | G | C | 0.0000 | |
| 476 | Q | C | -0.3153 | |
| 477 | V | C | 0.0000 | |
| 478 | S | C | -0.6070 | |
| 479 | V | C | 0.0000 | |
| 480 | E | C | -0.8729 | |
| 481 | I | C | 0.0000 | |
| 482 | E | C | 0.0000 | |
| 483 | W | C | 0.0000 | |
| 484 | E | C | -1.5543 | |
| 485 | L | C | 0.0000 | |
| 486 | Q | C | -2.0358 | |
| 487 | K | C | -2.5721 | |
| 488 | E | C | -2.2904 | |
| 489 | N | C | -2.0374 | |
| 490 | S | C | -1.1359 | |
| 491 | K | C | -0.2606 | |
| 492 | R | C | 0.0000 | |
| 493 | W | C | 1.1471 | |
| 494 | N | C | 0.0588 | |
| 495 | P | C | -0.3184 | |
| 496 | E | C | -0.3510 | |
| 497 | V | C | -0.0404 | |
| 498 | Q | C | -0.6748 | |
| 499 | Y | C | -0.5032 | |
| 500 | T | C | -0.4074 | |
| 501 | S | C | -0.7323 | |
| 502 | N | C | -0.9128 | |
| 503 | Y | C | 0.2926 | |
| 504 | A | C | -0.4026 | |
| 505 | K | C | -1.6135 | |
| 506 | S | C | -1.1180 | |
| 507 | A | C | -0.8295 | |
| 508 | N | C | -1.0773 | |
| 509 | V | C | 0.3408 | |
| 510 | D | C | -0.7113 | |
| 511 | F | C | -0.2692 | |
| 512 | T | C | 0.3545 | |
| 513 | V | C | 0.3109 | |
| 514 | D | C | -1.2238 | |
| 515 | N | C | -2.1432 | |
| 516 | N | C | -1.8971 | |
| 517 | G | C | -1.1426 | |
| 518 | L | C | -0.2837 | |
| 519 | Y | C | -0.1147 | |
| 520 | T | C | -0.3625 | |
| 521 | E | C | -0.9804 | |
| 522 | P | C | -0.9325 | |
| 523 | R | C | -1.0961 | |
| 524 | P | C | -0.5606 | |
| 525 | I | C | 0.0000 | |
| 526 | G | C | -0.3025 | |
| 527 | T | C | 0.0000 | |
| 528 | R | C | 0.0000 | |
| 529 | Y | C | -0.0327 | |
| 530 | L | C | 0.0000 | |
| 531 | T | C | 0.0000 | |
| 532 | R | C | -0.6069 | |
| 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 | -0.1554 | 4.2274 | View | CSV | PDB |
| 4.5 | -0.1933 | 4.0712 | View | CSV | PDB |
| 5.0 | -0.2375 | 3.9985 | View | CSV | PDB |
| 5.5 | -0.2817 | 3.9905 | View | CSV | PDB |
| 6.0 | -0.32 | 3.9875 | View | CSV | PDB |
| 6.5 | -0.3483 | 3.9925 | View | CSV | PDB |
| 7.0 | -0.3668 | 4.0056 | View | CSV | PDB |
| 7.5 | -0.3786 | 4.0232 | View | CSV | PDB |
| 8.0 | -0.3858 | 4.0424 | View | CSV | PDB |
| 8.5 | -0.3878 | 4.0619 | View | CSV | PDB |
| 9.0 | -0.3828 | 4.0809 | 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