| Chain sequence(s) | GADGVGNSSGNWHCDSTWMGDRVITTSTRTWALPTYNNHLYKQISSQSGASNDNHYFGYSTPWGYFDFNRFHCHFSPRDWQRLINNNWGFRPKRLNFKLFNIQVKEVTQNDGTTTIANNLTSTVQVFTDSEYQLPYVLGSAHQGCLPPFPADVFMVPQYGYLTLNNGSQAVGRSSFYCLEYFPSQMLRTGNNFTFSYTFEDVPFHSSYAHSQSLDRLMNPLIDQYLYYLSRTNTPSGTTTQSRLQFSQAGASDIRDQSRNWLPGPCYRQQRVSKTSADNNNSEYSWTGATKYHLNGRDSLVNPGPAMASHKDDEEKFFPQSGVLIFGKQGSEKTNVDIEKVMITDEEEIRTTNPVATEQYGSVSTNLQRGNRQAATADVNTQGVLPGMVWQDRDVYLQGPIWAKIPHTDGHFHPSPLMGGFGLKHPPPQILIKNTPVPANPSTTFSAAKFASFITQYSTGQVSVEIEWELQKENSKRWNPEIQYTSNYNKSVNVDFTVDTNGVYSEPRPIGTRYLTRNLGADGVGNSSGNWHCDSTWMGDRVITTSTRTWALPTYNNHLYKQISSQSGASNDNHYFGYSTPWGYFDFNRFHCHFSPRDWQRLINNNWGFRPKRLNFKLFNIQVKEVTQNDGTTTIANNLTSTVQVFTDSEYQLPYVLGSAHQGCLPPFPADVFMVPQYGYLTLNNGSQAVGRSSFYCLEYFPSQMLRTGNNFTFSYTFEDVPFHSSYAHSQSLDRLMNPLIDQYLYYLSRTNTPSGTTTQSRLQFSQAGASDIRDQSRNWLPGPCYRQQRVSKTSADNNNSEYSWTGATKYHLNGRDSLVNPGPAMASHKDDEEKFFPQSGVLIFGKQGSEKTNVDIEKVMITDEEEIRTTNPVATEQYGSVSTNLQRGNRQAATADVNTQGVLPGMVWQDRDVYLQGPIWAKIPHTDGHFHPSPLMGGFGLKHPPPQILIKNTPVPANPSTTFSAAKFASFITQYSTGQVSVEIEWELQKENSKRWNPEIQYTSNYNKSVNVDFTVDTNGVYSEPRPIGTRYLTRNLGADGVGNSSGNWHCDSTWMGDRVITTSTRTWALPTYNNHLYKQISSQSGASNDNHYFGYSTPWGYFDFNRFHCHFSPRDWQRLINNNWGFRPKRLNFKLFNIQVKEVTQNDGTTTIANNLTSTVQVFTDSEYQLPYVLGSAHQGCLPPFPADVFMVPQYGYLTLNNGSQAVGRSSFYCLEYFPSQMLRTGNNFTFSYTFEDVPFHSSYAHSQSLDRLMNPLIDQYLYYLSRTNTPSGTTTQSRLQFSQAGASDIRDQSRNWLPGPCYRQQRVSKTSADNNNSEYSWTGATKYHLNGRDSLVNPGPAMASHKDDEEKFFPQSGVLIFGKQGSEKTNVDIEKVMITDEEEIRTTNPVATEQYGSVSTNLQRGNRQAATADVNTQGVLPGMVWQDRDVYLQGPIWAKIPHTDGHFHPSPLMGGFGLKHPPPQILIKNTPVPANPSTTFSAAKFASFITQYSTGQVSVEIEWELQKENSKRWNPEIQYTSNYNKSVNVDFTVDTNGVYSEPRPIGTRYLTRNL input PDB |
| Selected Chain(s) | A,B,C |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:06:07)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/eeb2a7dfc98de/tmp/folded.pdb (00:06:07)
[INFO] Main: Simulation completed successfully. (00:19:25)
|
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 | |
| 15 | G | A | -0.8591 | |
| 16 | A | A | -0.8754 | |
| 17 | D | A | -1.3799 | |
| 18 | G | A | -0.5472 | |
| 19 | V | A | 0.8662 | |
| 20 | G | A | -0.5158 | |
| 21 | N | A | -1.4413 | |
| 22 | S | A | -1.2159 | |
| 23 | S | A | -1.1820 | |
| 24 | G | A | -1.2378 | |
| 25 | N | A | -1.1629 | |
| 26 | W | A | -0.2964 | |
| 27 | H | A | -1.1843 | |
| 28 | C | A | -0.9479 | |
| 29 | D | A | -1.8072 | |
| 30 | S | A | -0.8778 | |
| 31 | T | A | -0.1768 | |
| 32 | W | A | -0.1920 | |
| 33 | M | A | 0.2585 | |
| 34 | G | A | -1.0325 | |
| 35 | D | A | -2.1581 | |
| 36 | R | A | -1.2425 | |
| 37 | V | A | 0.0000 | |
| 38 | I | A | -0.3822 | |
| 39 | T | A | 0.0000 | |
| 40 | T | A | -0.8861 | |
| 41 | S | A | 0.0000 | |
| 42 | T | A | 0.0000 | |
| 43 | R | A | 0.0000 | |
| 44 | T | A | 0.6448 | |
| 45 | W | A | 0.0000 | |
| 46 | A | A | 0.7072 | |
| 47 | L | A | 0.0000 | |
| 48 | P | A | 0.0963 | |
| 49 | T | A | -0.2876 | |
| 50 | Y | A | -0.2940 | |
| 51 | N | A | -0.9328 | |
| 52 | N | A | -1.2075 | |
| 53 | H | A | -0.5143 | |
| 54 | L | A | -0.2200 | |
| 55 | Y | A | -0.5305 | |
| 56 | K | A | -1.5908 | |
| 57 | Q | A | -1.4936 | |
| 58 | I | A | -0.7583 | |
| 59 | S | A | -0.9044 | |
| 60 | S | A | 0.0000 | |
| 61 | Q | A | -1.5260 | |
| 62 | S | A | -1.2271 | |
| 63 | G | A | -1.1529 | |
| 64 | A | A | -1.1978 | |
| 65 | S | A | -1.2321 | |
| 66 | N | A | -1.7526 | |
| 67 | D | A | -1.2127 | |
| 68 | N | A | 0.0000 | |
| 69 | H | A | -1.3435 | |
| 70 | Y | A | 0.0000 | |
| 71 | F | A | 0.0000 | |
| 72 | G | A | 0.0000 | |
| 73 | Y | A | -0.4815 | |
| 74 | S | A | 0.0000 | |
| 75 | T | A | 0.0000 | |
| 76 | P | A | 0.0000 | |
| 77 | W | A | 0.0000 | |
| 78 | G | A | 0.0000 | |
| 79 | Y | A | 0.0000 | |
| 80 | F | A | 0.0000 | |
| 81 | D | A | 0.0000 | |
| 82 | F | A | 0.0000 | |
| 83 | N | A | 0.0000 | |
| 84 | R | A | -0.2644 | |
| 85 | F | A | 0.0000 | |
| 86 | H | A | 0.0000 | |
| 87 | C | A | 0.0000 | |
| 88 | H | A | 0.0000 | |
| 89 | F | A | 0.0000 | |
| 90 | S | A | -1.1002 | |
| 91 | P | A | -1.3891 | |
| 92 | R | A | -2.5684 | |
| 93 | D | A | -2.0871 | |
| 94 | W | A | 0.0000 | |
| 95 | Q | A | -2.2028 | |
| 96 | R | A | -2.4266 | |
| 97 | L | A | 0.0000 | |
| 98 | I | A | 0.0000 | |
| 99 | N | A | 0.0000 | |
| 100 | N | A | -1.9853 | |
| 101 | N | A | 0.0000 | |
| 102 | W | A | 0.0000 | |
| 103 | G | A | 0.0000 | |
| 104 | F | A | 0.0000 | |
| 105 | R | A | -0.8455 | |
| 106 | P | A | 0.0000 | |
| 107 | K | A | -1.8176 | |
| 108 | R | A | -1.9244 | |
| 109 | L | A | 0.0000 | |
| 110 | N | A | -1.0713 | |
| 111 | F | A | 0.0000 | |
| 112 | K | A | -1.0591 | |
| 113 | L | A | 0.0000 | |
| 114 | F | A | 0.0000 | |
| 115 | N | A | -1.2066 | |
| 116 | I | A | 0.0000 | |
| 117 | Q | A | -1.0310 | |
| 118 | V | A | 0.0000 | |
| 119 | K | A | -0.4091 | |
| 120 | E | A | 0.0308 | |
| 121 | V | A | 0.2734 | |
| 122 | T | A | -0.6811 | |
| 123 | Q | A | -2.1275 | |
| 124 | N | A | -2.8977 | |
| 125 | D | A | -2.9321 | |
| 126 | G | A | -2.0914 | |
| 127 | T | A | -1.6994 | |
| 128 | T | A | -0.7858 | |
| 129 | T | A | 0.1976 | |
| 130 | I | A | 1.2856 | |
| 131 | A | A | 0.1844 | |
| 132 | N | A | -0.9935 | |
| 133 | N | A | -0.7054 | |
| 134 | L | A | 0.1204 | |
| 135 | T | A | -0.3421 | |
| 136 | S | A | 0.0000 | |
| 137 | T | A | 0.0000 | |
| 138 | V | A | 0.0000 | |
| 139 | Q | A | -0.4784 | |
| 140 | V | A | 0.0000 | |
| 141 | F | A | 0.0000 | |
| 142 | T | A | -0.4519 | |
| 143 | D | A | 0.0000 | |
| 144 | S | A | -1.0915 | |
| 145 | E | A | -1.9266 | |
| 146 | Y | A | -0.9810 | |
| 147 | Q | A | -1.1911 | |
| 148 | L | A | 0.0000 | |
| 149 | P | A | 0.0000 | |
| 150 | Y | A | 0.1263 | |
| 151 | V | A | 0.0000 | |
| 152 | L | A | 0.0000 | |
| 153 | G | A | -0.0829 | |
| 154 | S | A | -0.0871 | |
| 155 | A | A | 0.0000 | |
| 156 | H | A | 0.0000 | |
| 157 | Q | A | -0.5734 | |
| 158 | G | A | -0.1182 | |
| 159 | C | A | -0.0353 | |
| 160 | L | A | 0.0000 | |
| 161 | P | A | 0.0000 | |
| 162 | P | A | 0.1794 | |
| 163 | F | A | 1.0628 | |
| 164 | P | A | 0.4588 | |
| 165 | A | A | 0.3704 | |
| 166 | D | A | 0.5976 | |
| 167 | V | A | 1.7870 | |
| 168 | F | A | 0.0000 | |
| 169 | M | A | 1.3771 | |
| 170 | V | A | 0.0000 | |
| 171 | P | A | 0.0000 | |
| 172 | Q | A | 0.1342 | |
| 173 | Y | A | 0.0000 | |
| 174 | G | A | 0.0000 | |
| 175 | Y | A | 0.0000 | |
| 176 | L | A | 0.0000 | |
| 177 | T | A | 0.0000 | |
| 178 | L | A | 0.0000 | |
| 179 | N | A | 0.0000 | |
| 180 | N | A | -1.3708 | |
| 181 | G | A | -1.3319 | |
| 182 | S | A | -1.3546 | |
| 183 | Q | A | -1.3053 | |
| 184 | A | A | -0.6596 | |
| 185 | V | A | -0.2526 | |
| 186 | G | A | -0.3308 | |
| 187 | R | A | -0.3390 | |
| 188 | S | A | 0.0000 | |
| 189 | S | A | 0.0000 | |
| 190 | F | A | 0.1744 | |
| 191 | Y | A | 0.0000 | |
| 192 | C | A | 0.3020 | |
| 193 | L | A | 0.0000 | |
| 194 | E | A | -0.5590 | |
| 195 | Y | A | 0.7124 | |
| 196 | F | A | 0.0000 | |
| 197 | P | A | -0.3765 | |
| 198 | S | A | -0.5762 | |
| 199 | Q | A | -1.0172 | |
| 200 | M | A | 0.0170 | |
| 201 | L | A | 0.0000 | |
| 202 | R | A | -1.6172 | |
| 203 | T | A | -0.9608 | |
| 204 | G | A | 0.0000 | |
| 205 | N | A | -1.4124 | |
| 206 | N | A | -1.4302 | |
| 207 | F | A | 0.0000 | |
| 208 | T | A | -0.4900 | |
| 209 | F | A | -0.1088 | |
| 210 | S | A | -0.6074 | |
| 211 | Y | A | -0.5903 | |
| 212 | T | A | -1.2572 | |
| 213 | F | A | 0.0000 | |
| 214 | E | A | -2.0551 | |
| 215 | D | A | -2.1615 | |
| 216 | V | A | 0.0000 | |
| 217 | P | A | -0.5436 | |
| 218 | F | A | -0.0290 | |
| 219 | H | A | 0.0000 | |
| 220 | S | A | 0.0000 | |
| 221 | S | A | 0.0000 | |
| 222 | Y | A | 0.0000 | |
| 223 | A | A | 0.0000 | |
| 224 | H | A | 0.0000 | |
| 225 | S | A | 0.0000 | |
| 226 | Q | A | 0.0000 | |
| 227 | S | A | 0.0000 | |
| 228 | L | A | 0.0000 | |
| 229 | D | A | 0.0000 | |
| 230 | R | A | 0.0000 | |
| 231 | L | A | 0.2050 | |
| 232 | M | A | 0.0000 | |
| 233 | N | A | 0.0000 | |
| 234 | P | A | 0.0000 | |
| 235 | L | A | 0.5352 | |
| 236 | I | A | 0.1080 | |
| 237 | D | A | -0.5179 | |
| 238 | Q | A | 0.0000 | |
| 239 | Y | A | 0.0000 | |
| 240 | L | A | 0.0000 | |
| 241 | Y | A | 0.0000 | |
| 242 | Y | A | 0.0000 | |
| 243 | L | A | 0.0000 | |
| 244 | S | A | -0.8525 | |
| 245 | R | A | -1.6145 | |
| 246 | T | A | 0.0000 | |
| 247 | N | A | -1.7285 | |
| 248 | T | A | -1.3109 | |
| 249 | P | A | -0.7524 | |
| 250 | S | A | -0.6642 | |
| 251 | G | A | -0.6971 | |
| 252 | T | A | -0.4051 | |
| 253 | T | A | -0.5828 | |
| 254 | T | A | -1.1181 | |
| 255 | Q | A | -1.3842 | |
| 256 | S | A | -1.7798 | |
| 257 | R | A | -1.9442 | |
| 258 | L | A | 0.0000 | |
| 259 | Q | A | -1.3682 | |
| 260 | F | A | 0.0000 | |
| 261 | S | A | 0.0000 | |
| 262 | Q | A | -0.9811 | |
| 263 | A | A | 0.0000 | |
| 264 | G | A | 0.0000 | |
| 265 | A | A | -0.1653 | |
| 266 | S | A | -0.6272 | |
| 267 | D | A | -0.5520 | |
| 268 | I | A | 0.0000 | |
| 269 | R | A | -0.7628 | |
| 270 | D | A | 0.0000 | |
| 271 | Q | A | 0.0000 | |
| 272 | S | A | 0.0000 | |
| 273 | R | A | 0.0000 | |
| 274 | N | A | 0.0000 | |
| 275 | W | A | 0.0000 | |
| 276 | L | A | 0.0000 | |
| 277 | P | A | 0.0000 | |
| 278 | G | A | 0.0000 | |
| 279 | P | A | 0.0000 | |
| 280 | C | A | 0.0000 | |
| 281 | Y | A | 0.0000 | |
| 282 | R | A | 0.0000 | |
| 283 | Q | A | 0.0000 | |
| 284 | Q | A | 0.0000 | |
| 285 | R | A | -0.3382 | |
| 286 | V | A | 0.0000 | |
| 287 | S | A | 0.0000 | |
| 288 | K | A | -1.8660 | |
| 289 | T | A | -1.0143 | |
| 290 | S | A | -1.2544 | |
| 291 | A | A | -1.1245 | |
| 292 | D | A | -1.7364 | |
| 293 | N | A | 0.0000 | |
| 294 | N | A | -2.7932 | |
| 295 | N | A | -2.6313 | |
| 296 | S | A | -1.6946 | |
| 297 | E | A | -1.3558 | |
| 298 | Y | A | 0.0000 | |
| 299 | S | A | 0.0000 | |
| 300 | W | A | -0.0357 | |
| 301 | T | A | -0.0934 | |
| 302 | G | A | 0.0000 | |
| 303 | A | A | 0.0000 | |
| 304 | T | A | 0.0000 | |
| 305 | K | A | 0.0000 | |
| 306 | Y | A | 0.0000 | |
| 307 | H | A | -0.5584 | |
| 308 | L | A | 0.0000 | |
| 309 | N | A | -0.5947 | |
| 310 | G | A | -0.6715 | |
| 311 | R | A | 0.0000 | |
| 312 | D | A | -0.7602 | |
| 313 | S | A | 0.0000 | |
| 314 | L | A | 0.0000 | |
| 315 | V | A | 0.0000 | |
| 316 | N | A | 0.0000 | |
| 317 | P | A | 0.0000 | |
| 318 | G | A | 0.0000 | |
| 319 | P | A | 0.0000 | |
| 320 | A | A | -0.0794 | |
| 321 | M | A | 0.0000 | |
| 322 | A | A | 0.0000 | |
| 323 | S | A | 0.0000 | |
| 324 | H | A | 0.0000 | |
| 325 | K | A | -1.5551 | |
| 326 | D | A | -2.0430 | |
| 327 | D | A | -2.9445 | |
| 328 | E | A | -2.6353 | |
| 329 | E | A | -3.3888 | |
| 330 | K | A | -2.6647 | |
| 331 | F | A | 0.0000 | |
| 332 | F | A | 0.0000 | |
| 333 | P | A | 0.0000 | |
| 334 | Q | A | 0.0000 | |
| 335 | S | A | 0.0000 | |
| 336 | G | A | 0.0000 | |
| 337 | V | A | 0.0000 | |
| 338 | L | A | 0.0000 | |
| 339 | I | A | 0.0000 | |
| 340 | F | A | 0.0000 | |
| 341 | G | A | -1.7128 | |
| 342 | K | A | -2.4266 | |
| 343 | Q | A | -1.7941 | |
| 344 | G | A | -1.6836 | |
| 345 | S | A | -2.3454 | |
| 346 | E | A | -2.7705 | |
| 347 | K | A | -1.8642 | |
| 348 | T | A | -1.2945 | |
| 349 | N | A | -1.2808 | |
| 350 | V | A | 0.0000 | |
| 351 | D | A | -1.5481 | |
| 352 | I | A | -1.2992 | |
| 353 | E | A | -2.3259 | |
| 354 | K | A | -2.3968 | |
| 355 | V | A | 0.0000 | |
| 356 | M | A | 0.0000 | |
| 357 | I | A | -0.3096 | |
| 358 | T | A | 0.0000 | |
| 359 | D | A | -1.0466 | |
| 360 | E | A | 0.0000 | |
| 361 | E | A | -1.0522 | |
| 362 | E | A | -0.5059 | |
| 363 | I | A | 0.0000 | |
| 364 | R | A | 0.0000 | |
| 365 | T | A | 0.0000 | |
| 366 | T | A | 0.0000 | |
| 367 | N | A | 0.0000 | |
| 368 | P | A | 0.0000 | |
| 369 | V | A | 0.0000 | |
| 370 | A | A | 0.0000 | |
| 371 | T | A | 0.0000 | |
| 372 | E | A | 0.0000 | |
| 373 | Q | A | -0.8814 | |
| 374 | Y | A | 0.0000 | |
| 375 | G | A | 0.0000 | |
| 376 | S | A | -0.8865 | |
| 377 | V | A | 0.0000 | |
| 378 | S | A | 0.0000 | |
| 379 | T | A | -0.6161 | |
| 380 | N | A | -0.6720 | |
| 381 | L | A | -0.6609 | |
| 382 | Q | A | 0.0000 | |
| 383 | R | A | -2.9839 | |
| 384 | G | A | -2.6966 | |
| 385 | N | A | -2.9221 | |
| 386 | R | A | -3.0008 | |
| 387 | Q | A | -2.7016 | |
| 388 | A | A | -1.2404 | |
| 389 | A | A | -0.4672 | |
| 390 | T | A | -0.4658 | |
| 391 | A | A | -0.9552 | |
| 392 | D | A | -1.9197 | |
| 393 | V | A | 0.0000 | |
| 394 | N | A | -0.7697 | |
| 395 | T | A | -0.3664 | |
| 396 | Q | A | 0.0000 | |
| 397 | G | A | 0.0000 | |
| 398 | V | A | 0.0000 | |
| 399 | L | A | 0.0000 | |
| 400 | P | A | 0.0000 | |
| 401 | G | A | 0.0000 | |
| 402 | M | A | 0.0000 | |
| 403 | V | A | 0.0000 | |
| 404 | W | A | 0.0000 | |
| 405 | Q | A | 0.0000 | |
| 406 | D | A | -0.4572 | |
| 407 | R | A | 0.0000 | |
| 408 | D | A | 0.0000 | |
| 409 | V | A | 0.0000 | |
| 410 | Y | A | 0.0000 | |
| 411 | L | A | 0.0000 | |
| 412 | Q | A | 0.0000 | |
| 413 | G | A | 0.0000 | |
| 414 | P | A | 0.0000 | |
| 415 | I | A | 0.0000 | |
| 416 | W | A | 0.0000 | |
| 417 | A | A | 0.0000 | |
| 418 | K | A | -0.7341 | |
| 419 | I | A | -0.7431 | |
| 420 | P | A | 0.0000 | |
| 421 | H | A | -0.8901 | |
| 422 | T | A | -0.5997 | |
| 423 | D | A | -0.7890 | |
| 424 | G | A | 0.0000 | |
| 425 | H | A | -0.7927 | |
| 426 | F | A | 0.0000 | |
| 427 | H | A | -0.5177 | |
| 428 | P | A | -0.4832 | |
| 429 | S | A | -0.2973 | |
| 430 | P | A | 0.0000 | |
| 431 | L | A | 0.0000 | |
| 432 | M | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | G | A | -0.1432 | |
| 435 | F | A | 0.0000 | |
| 436 | G | A | -0.6291 | |
| 437 | L | A | 0.0000 | |
| 438 | K | A | -1.9564 | |
| 439 | H | A | -1.6869 | |
| 440 | P | A | 0.0000 | |
| 441 | P | A | 0.0000 | |
| 442 | P | A | 0.0000 | |
| 443 | Q | A | 0.0000 | |
| 444 | I | A | 0.0000 | |
| 445 | L | A | 0.0000 | |
| 446 | I | A | 0.0000 | |
| 447 | K | A | 0.0000 | |
| 448 | N | A | 0.0000 | |
| 449 | T | A | 0.1452 | |
| 450 | P | A | 0.0418 | |
| 451 | V | A | 0.3294 | |
| 452 | P | A | 0.0407 | |
| 453 | A | A | -0.3090 | |
| 454 | N | A | -1.3382 | |
| 455 | P | A | -0.6669 | |
| 456 | S | A | -0.2934 | |
| 457 | T | A | 0.0134 | |
| 458 | T | A | 0.6791 | |
| 459 | F | A | 1.7280 | |
| 460 | S | A | 0.4995 | |
| 461 | A | A | 0.1006 | |
| 462 | A | A | -0.3719 | |
| 463 | K | A | -1.3570 | |
| 464 | F | A | -0.1536 | |
| 465 | A | A | -0.2159 | |
| 466 | S | A | -0.3151 | |
| 467 | F | A | 0.2352 | |
| 468 | I | A | 0.5939 | |
| 469 | T | A | 0.1983 | |
| 470 | Q | A | 0.0000 | |
| 471 | Y | A | 0.2716 | |
| 472 | S | A | 0.0000 | |
| 473 | T | A | 0.1149 | |
| 474 | G | A | 0.0000 | |
| 475 | Q | A | -0.2625 | |
| 476 | V | A | 0.0000 | |
| 477 | S | A | -0.6662 | |
| 478 | V | A | 0.0000 | |
| 479 | E | A | -1.3092 | |
| 480 | I | A | 0.0000 | |
| 481 | E | A | -1.0241 | |
| 482 | W | A | 0.0000 | |
| 483 | E | A | -1.3894 | |
| 484 | L | A | 0.0000 | |
| 485 | Q | A | -1.8015 | |
| 486 | K | A | -2.5244 | |
| 487 | E | A | -2.2915 | |
| 488 | N | A | -2.3561 | |
| 489 | S | A | -1.5389 | |
| 490 | K | A | -1.1941 | |
| 491 | R | A | -0.3396 | |
| 492 | W | A | 0.7360 | |
| 493 | N | A | -0.0904 | |
| 494 | P | A | -0.3415 | |
| 495 | E | A | -0.3505 | |
| 496 | I | A | 0.1030 | |
| 497 | Q | A | -0.5246 | |
| 498 | Y | A | -0.5098 | |
| 499 | T | A | -0.4116 | |
| 500 | S | A | -0.8711 | |
| 501 | N | A | -1.3208 | |
| 502 | Y | A | -0.3868 | |
| 503 | N | A | -1.9319 | |
| 504 | K | A | -1.8547 | |
| 505 | S | A | -0.5085 | |
| 506 | V | A | 1.0200 | |
| 507 | N | A | 0.1813 | |
| 508 | V | A | 0.9082 | |
| 509 | D | A | -0.1659 | |
| 510 | F | A | 0.0387 | |
| 511 | T | A | 0.7261 | |
| 512 | V | A | 0.8164 | |
| 513 | D | A | -0.2464 | |
| 514 | T | A | -0.8681 | |
| 515 | N | A | -1.2357 | |
| 516 | G | A | -0.5189 | |
| 517 | V | A | 0.3866 | |
| 518 | Y | A | 0.5598 | |
| 519 | S | A | -0.1144 | |
| 520 | E | A | -0.7334 | |
| 521 | P | A | -0.8309 | |
| 522 | R | A | -1.0164 | |
| 523 | P | A | -0.6014 | |
| 524 | I | A | 0.0000 | |
| 525 | G | A | -0.2396 | |
| 526 | T | A | 0.0000 | |
| 527 | R | A | 0.0000 | |
| 528 | Y | A | 0.0324 | |
| 529 | L | A | 0.0000 | |
| 530 | T | A | 0.0000 | |
| 531 | R | A | -0.9746 | |
| 532 | N | A | -0.4195 | |
| 533 | L | A | 0.0000 | |
| 15 | G | B | -0.8306 | |
| 16 | A | B | -0.8537 | |
| 17 | D | B | -1.3660 | |
| 18 | G | B | -0.5487 | |
| 19 | V | B | 0.8761 | |
| 20 | G | B | -0.5172 | |
| 21 | N | B | -1.4401 | |
| 22 | S | B | -1.2161 | |
| 23 | S | B | -1.1521 | |
| 24 | G | B | -1.2185 | |
| 25 | N | B | -1.1571 | |
| 26 | W | B | -0.2840 | |
| 27 | H | B | -1.1798 | |
| 28 | C | B | -0.9454 | |
| 29 | D | B | -1.7909 | |
| 30 | S | B | -0.8436 | |
| 31 | T | B | -0.1383 | |
| 32 | W | B | -0.1491 | |
| 33 | M | B | 0.2751 | |
| 34 | G | B | -1.0498 | |
| 35 | D | B | -2.1659 | |
| 36 | R | B | -1.2270 | |
| 37 | V | B | 0.0000 | |
| 38 | I | B | -0.3539 | |
| 39 | T | B | 0.0000 | |
| 40 | T | B | -0.8868 | |
| 41 | S | B | 0.0000 | |
| 42 | T | B | 0.0000 | |
| 43 | R | B | 0.0000 | |
| 44 | T | B | 0.3807 | |
| 45 | W | B | 0.0000 | |
| 46 | A | B | 0.6110 | |
| 47 | L | B | 0.0000 | |
| 48 | P | B | 0.0180 | |
| 49 | T | B | -0.3459 | |
| 50 | Y | B | -0.3827 | |
| 51 | N | B | -1.0246 | |
| 52 | N | B | -1.2871 | |
| 53 | H | B | -0.6263 | |
| 54 | L | B | -0.4456 | |
| 55 | Y | B | -0.6044 | |
| 56 | K | B | -1.5952 | |
| 57 | Q | B | -1.4900 | |
| 58 | I | B | -0.7262 | |
| 59 | S | B | -0.8573 | |
| 60 | S | B | 0.0000 | |
| 61 | Q | B | -1.5094 | |
| 62 | S | B | -1.2267 | |
| 63 | G | B | -1.1541 | |
| 64 | A | B | -1.1835 | |
| 65 | S | B | -1.2332 | |
| 66 | N | B | -1.7440 | |
| 67 | D | B | -1.2001 | |
| 68 | N | B | 0.0000 | |
| 69 | H | B | -1.2819 | |
| 70 | Y | B | -0.6033 | |
| 71 | F | B | 0.0000 | |
| 72 | G | B | 0.0000 | |
| 73 | Y | B | -0.4629 | |
| 74 | S | B | 0.0000 | |
| 75 | T | B | 0.0000 | |
| 76 | P | B | 0.0000 | |
| 77 | W | B | 0.0000 | |
| 78 | G | B | 0.0000 | |
| 79 | Y | B | 0.0000 | |
| 80 | F | B | 0.0000 | |
| 81 | D | B | 0.0000 | |
| 82 | F | B | 0.0000 | |
| 83 | N | B | 0.0000 | |
| 84 | R | B | -0.2755 | |
| 85 | F | B | 0.0000 | |
| 86 | H | B | 0.0000 | |
| 87 | C | B | 0.0000 | |
| 88 | H | B | 0.0000 | |
| 89 | F | B | 0.0000 | |
| 90 | S | B | -1.0413 | |
| 91 | P | B | -1.2225 | |
| 92 | R | B | -2.1702 | |
| 93 | D | B | -1.8560 | |
| 94 | W | B | 0.0000 | |
| 95 | Q | B | -2.0120 | |
| 96 | R | B | -2.3116 | |
| 97 | L | B | 0.0000 | |
| 98 | I | B | 0.0000 | |
| 99 | N | B | 0.0000 | |
| 100 | N | B | -2.1343 | |
| 101 | N | B | 0.0000 | |
| 102 | W | B | 0.0000 | |
| 103 | G | B | 0.0000 | |
| 104 | F | B | 0.0000 | |
| 105 | R | B | -0.9825 | |
| 106 | P | B | 0.0000 | |
| 107 | K | B | -2.1272 | |
| 108 | R | B | -2.5391 | |
| 109 | L | B | 0.0000 | |
| 110 | N | B | -1.3873 | |
| 111 | F | B | 0.0000 | |
| 112 | K | B | -1.1066 | |
| 113 | L | B | 0.0000 | |
| 114 | F | B | 0.0000 | |
| 115 | N | B | -1.1884 | |
| 116 | I | B | 0.0000 | |
| 117 | Q | B | -1.0386 | |
| 118 | V | B | 0.0000 | |
| 119 | K | B | -0.4743 | |
| 120 | E | B | -0.0518 | |
| 121 | V | B | 0.1707 | |
| 122 | T | B | -0.7517 | |
| 123 | Q | B | -2.1662 | |
| 124 | N | B | -2.8978 | |
| 125 | D | B | -2.9339 | |
| 126 | G | B | -2.0902 | |
| 127 | T | B | -1.7012 | |
| 128 | T | B | -0.8560 | |
| 129 | T | B | 0.0491 | |
| 130 | I | B | 0.9781 | |
| 131 | A | B | 0.0377 | |
| 132 | N | B | -1.0477 | |
| 133 | N | B | -0.7107 | |
| 134 | L | B | 0.1879 | |
| 135 | T | B | -0.3109 | |
| 136 | S | B | 0.0000 | |
| 137 | T | B | 0.0000 | |
| 138 | V | B | 0.0000 | |
| 139 | Q | B | -0.5020 | |
| 140 | V | B | 0.0000 | |
| 141 | F | B | 0.0000 | |
| 142 | T | B | -0.4440 | |
| 143 | D | B | 0.0000 | |
| 144 | S | B | -1.0854 | |
| 145 | E | B | -2.0321 | |
| 146 | Y | B | -1.0315 | |
| 147 | Q | B | -1.2627 | |
| 148 | L | B | 0.0000 | |
| 149 | P | B | 0.0000 | |
| 150 | Y | B | 0.0000 | |
| 151 | V | B | 0.0000 | |
| 152 | L | B | 0.0000 | |
| 153 | G | B | -0.0943 | |
| 154 | S | B | -0.0954 | |
| 155 | A | B | 0.0000 | |
| 156 | H | B | 0.0000 | |
| 157 | Q | B | -0.5769 | |
| 158 | G | B | -0.1674 | |
| 159 | C | B | -0.0785 | |
| 160 | L | B | 0.0000 | |
| 161 | P | B | -0.0211 | |
| 162 | P | B | -0.2104 | |
| 163 | F | B | 0.3616 | |
| 164 | P | B | -0.0492 | |
| 165 | A | B | -0.3123 | |
| 166 | D | B | -0.6995 | |
| 167 | V | B | 1.1098 | |
| 168 | F | B | 0.0000 | |
| 169 | M | B | 1.1208 | |
| 170 | V | B | 0.0000 | |
| 171 | P | B | 0.0000 | |
| 172 | Q | B | 0.0833 | |
| 173 | Y | B | 0.0000 | |
| 174 | G | B | 0.0000 | |
| 175 | Y | B | 0.0000 | |
| 176 | L | B | 0.0000 | |
| 177 | T | B | 0.0000 | |
| 178 | L | B | 0.0000 | |
| 179 | N | B | 0.0000 | |
| 180 | N | B | -1.3522 | |
| 181 | G | B | -1.3003 | |
| 182 | S | B | -1.3172 | |
| 183 | Q | B | -1.2800 | |
| 184 | A | B | -0.6354 | |
| 185 | V | B | -0.2406 | |
| 186 | G | B | -0.2995 | |
| 187 | R | B | -0.3069 | |
| 188 | S | B | 0.0000 | |
| 189 | S | B | 0.0000 | |
| 190 | F | B | 0.1425 | |
| 191 | Y | B | 0.0000 | |
| 192 | C | B | 0.2755 | |
| 193 | L | B | 0.0000 | |
| 194 | E | B | -0.6408 | |
| 195 | Y | B | 0.6869 | |
| 196 | F | B | 0.0000 | |
| 197 | P | B | -0.3834 | |
| 198 | S | B | -0.5675 | |
| 199 | Q | B | -0.9406 | |
| 200 | M | B | -0.0259 | |
| 201 | L | B | 0.0000 | |
| 202 | R | B | -1.5935 | |
| 203 | T | B | -0.9234 | |
| 204 | G | B | 0.0000 | |
| 205 | N | B | -1.3460 | |
| 206 | N | B | -1.2927 | |
| 207 | F | B | 0.0000 | |
| 208 | T | B | -0.5219 | |
| 209 | F | B | -0.1962 | |
| 210 | S | B | -0.8057 | |
| 211 | Y | B | -0.8154 | |
| 212 | T | B | -1.5287 | |
| 213 | F | B | 0.0000 | |
| 214 | E | B | -2.1091 | |
| 215 | D | B | -2.1896 | |
| 216 | V | B | 0.0000 | |
| 217 | P | B | -0.6376 | |
| 218 | F | B | -0.2190 | |
| 219 | H | B | 0.0000 | |
| 220 | S | B | 0.0000 | |
| 221 | S | B | 0.0000 | |
| 222 | Y | B | 0.0000 | |
| 223 | A | B | 0.0000 | |
| 224 | H | B | 0.0000 | |
| 225 | S | B | 0.0000 | |
| 226 | Q | B | 0.0000 | |
| 227 | S | B | 0.0000 | |
| 228 | L | B | 0.0000 | |
| 229 | D | B | 0.0000 | |
| 230 | R | B | 0.0000 | |
| 231 | L | B | 0.2316 | |
| 232 | M | B | 0.0000 | |
| 233 | N | B | 0.0000 | |
| 234 | P | B | 0.0000 | |
| 235 | L | B | 0.5690 | |
| 236 | I | B | 0.1332 | |
| 237 | D | B | -0.5190 | |
| 238 | Q | B | 0.0000 | |
| 239 | Y | B | 0.0000 | |
| 240 | L | B | 0.0000 | |
| 241 | Y | B | 0.0000 | |
| 242 | Y | B | 0.0000 | |
| 243 | L | B | 0.0000 | |
| 244 | S | B | -0.7567 | |
| 245 | R | B | -1.4938 | |
| 246 | T | B | 0.0000 | |
| 247 | N | B | -1.7092 | |
| 248 | T | B | -1.2637 | |
| 249 | P | B | -0.7498 | |
| 250 | S | B | -0.6742 | |
| 251 | G | B | -0.7009 | |
| 252 | T | B | -0.4040 | |
| 253 | T | B | -0.5940 | |
| 254 | T | B | -1.1325 | |
| 255 | Q | B | -1.4075 | |
| 256 | S | B | -1.7704 | |
| 257 | R | B | -1.8689 | |
| 258 | L | B | 0.0000 | |
| 259 | Q | B | -1.2158 | |
| 260 | F | B | 0.0000 | |
| 261 | S | B | 0.0000 | |
| 262 | Q | B | -0.9469 | |
| 263 | A | B | 0.0000 | |
| 264 | G | B | 0.0000 | |
| 265 | A | B | -0.1813 | |
| 266 | S | B | -0.6471 | |
| 267 | D | B | -0.5544 | |
| 268 | I | B | 0.0000 | |
| 269 | R | B | -0.7602 | |
| 270 | D | B | 0.0000 | |
| 271 | Q | B | 0.0000 | |
| 272 | S | B | 0.0000 | |
| 273 | R | B | 0.0000 | |
| 274 | N | B | 0.0000 | |
| 275 | W | B | 0.0000 | |
| 276 | L | B | 0.0000 | |
| 277 | P | B | 0.0000 | |
| 278 | G | B | 0.0000 | |
| 279 | P | B | 0.0000 | |
| 280 | C | B | 0.0000 | |
| 281 | Y | B | 0.0000 | |
| 282 | R | B | 0.0000 | |
| 283 | Q | B | 0.0000 | |
| 284 | Q | B | 0.0000 | |
| 285 | R | B | -0.3742 | |
| 286 | V | B | 0.0000 | |
| 287 | S | B | 0.0000 | |
| 288 | K | B | -1.8895 | |
| 289 | T | B | -1.0357 | |
| 290 | S | B | -1.2621 | |
| 291 | A | B | -1.0805 | |
| 292 | D | B | -1.6785 | |
| 293 | N | B | 0.0000 | |
| 294 | N | B | 0.0000 | |
| 295 | N | B | -2.5407 | |
| 296 | S | B | -1.8738 | |
| 297 | E | B | -1.9093 | |
| 298 | Y | B | 0.0000 | |
| 299 | S | B | 0.0000 | |
| 300 | W | B | -0.1433 | |
| 301 | T | B | -0.1767 | |
| 302 | G | B | 0.0000 | |
| 303 | A | B | 0.0000 | |
| 304 | T | B | 0.0000 | |
| 305 | K | B | 0.0000 | |
| 306 | Y | B | 0.0000 | |
| 307 | H | B | 0.0000 | |
| 308 | L | B | 0.0000 | |
| 309 | N | B | -0.5744 | |
| 310 | G | B | -0.6861 | |
| 311 | R | B | 0.0000 | |
| 312 | D | B | -0.7676 | |
| 313 | S | B | 0.0000 | |
| 314 | L | B | 0.0000 | |
| 315 | V | B | 0.0000 | |
| 316 | N | B | 0.0000 | |
| 317 | P | B | 0.0000 | |
| 318 | G | B | 0.0000 | |
| 319 | P | B | 0.0000 | |
| 320 | A | B | -0.0982 | |
| 321 | M | B | 0.0000 | |
| 322 | A | B | 0.0000 | |
| 323 | S | B | 0.0000 | |
| 324 | H | B | 0.0000 | |
| 325 | K | B | -1.6763 | |
| 326 | D | B | -2.0525 | |
| 327 | D | B | -2.9626 | |
| 328 | E | B | -2.6545 | |
| 329 | E | B | -3.4418 | |
| 330 | K | B | -2.6628 | |
| 331 | F | B | 0.0000 | |
| 332 | F | B | 0.0000 | |
| 333 | P | B | 0.0000 | |
| 334 | Q | B | 0.0000 | |
| 335 | S | B | 0.0000 | |
| 336 | G | B | 0.0000 | |
| 337 | V | B | 0.0000 | |
| 338 | L | B | 0.0000 | |
| 339 | I | B | 0.0000 | |
| 340 | F | B | 0.0000 | |
| 341 | G | B | -1.7680 | |
| 342 | K | B | -2.5534 | |
| 343 | Q | B | -2.1175 | |
| 344 | G | B | -1.8072 | |
| 345 | S | B | -2.3935 | |
| 346 | E | B | -2.7735 | |
| 347 | K | B | -1.9226 | |
| 348 | T | B | -1.4607 | |
| 349 | N | B | -1.6233 | |
| 350 | V | B | 0.0000 | |
| 351 | D | B | -1.6410 | |
| 352 | I | B | -1.3467 | |
| 353 | E | B | -2.2996 | |
| 354 | K | B | -2.4087 | |
| 355 | V | B | 0.0000 | |
| 356 | M | B | 0.0000 | |
| 357 | I | B | -0.3235 | |
| 358 | T | B | 0.0000 | |
| 359 | D | B | -1.1996 | |
| 360 | E | B | 0.0000 | |
| 361 | E | B | -1.2938 | |
| 362 | E | B | -0.7110 | |
| 363 | I | B | 0.0000 | |
| 364 | R | B | -0.6007 | |
| 365 | T | B | 0.0000 | |
| 366 | T | B | 0.0000 | |
| 367 | N | B | 0.0000 | |
| 368 | P | B | 0.0000 | |
| 369 | V | B | 0.0000 | |
| 370 | A | B | 0.0000 | |
| 371 | T | B | 0.0000 | |
| 372 | E | B | -0.6635 | |
| 373 | Q | B | -0.9607 | |
| 374 | Y | B | 0.0000 | |
| 375 | G | B | 0.0000 | |
| 376 | S | B | -0.8968 | |
| 377 | V | B | 0.0000 | |
| 378 | S | B | 0.0000 | |
| 379 | T | B | -0.5776 | |
| 380 | N | B | -0.6289 | |
| 381 | L | B | -0.5918 | |
| 382 | Q | B | 0.0000 | |
| 383 | R | B | -2.9192 | |
| 384 | G | B | -2.6930 | |
| 385 | N | B | -2.9591 | |
| 386 | R | B | -3.0842 | |
| 387 | Q | B | -2.7374 | |
| 388 | A | B | -1.2424 | |
| 389 | A | B | -0.4802 | |
| 390 | T | B | -0.4686 | |
| 391 | A | B | -0.9537 | |
| 392 | D | B | -1.9430 | |
| 393 | V | B | 0.0000 | |
| 394 | N | B | -0.7889 | |
| 395 | T | B | -0.3591 | |
| 396 | Q | B | 0.0000 | |
| 397 | G | B | 0.0000 | |
| 398 | V | B | 0.0000 | |
| 399 | L | B | 0.0000 | |
| 400 | P | B | 0.0000 | |
| 401 | G | B | 0.0000 | |
| 402 | M | B | 0.0000 | |
| 403 | V | B | 0.0000 | |
| 404 | W | B | 0.0000 | |
| 405 | Q | B | 0.0000 | |
| 406 | D | B | -0.4547 | |
| 407 | R | B | 0.0000 | |
| 408 | D | B | 0.0000 | |
| 409 | V | B | 0.0000 | |
| 410 | Y | B | 0.0000 | |
| 411 | L | B | 0.0000 | |
| 412 | Q | B | 0.0000 | |
| 413 | G | B | 0.0000 | |
| 414 | P | B | 0.0000 | |
| 415 | I | B | 0.0000 | |
| 416 | W | B | 0.0000 | |
| 417 | A | B | 0.0000 | |
| 418 | K | B | -0.6746 | |
| 419 | I | B | -0.6643 | |
| 420 | P | B | 0.0000 | |
| 421 | H | B | -0.7178 | |
| 422 | T | B | -0.5200 | |
| 423 | D | B | -0.7571 | |
| 424 | G | B | 0.0000 | |
| 425 | H | B | -0.6844 | |
| 426 | F | B | -0.2158 | |
| 427 | H | B | -0.4243 | |
| 428 | P | B | -0.4196 | |
| 429 | S | B | -0.2681 | |
| 430 | P | B | 0.0000 | |
| 431 | L | B | 0.0000 | |
| 432 | M | B | 0.0000 | |
| 433 | G | B | 0.0000 | |
| 434 | G | B | -0.1632 | |
| 435 | F | B | 0.0000 | |
| 436 | G | B | -0.6034 | |
| 437 | L | B | 0.0000 | |
| 438 | K | B | -1.8386 | |
| 439 | H | B | -1.5729 | |
| 440 | P | B | 0.0000 | |
| 441 | P | B | 0.0000 | |
| 442 | P | B | 0.0000 | |
| 443 | Q | B | 0.0000 | |
| 444 | I | B | 0.0000 | |
| 445 | L | B | 0.0000 | |
| 446 | I | B | 0.0000 | |
| 447 | K | B | 0.0000 | |
| 448 | N | B | 0.0000 | |
| 449 | T | B | 0.1290 | |
| 450 | P | B | 0.0627 | |
| 451 | V | B | 0.3528 | |
| 452 | P | B | 0.0769 | |
| 453 | A | B | -0.2776 | |
| 454 | N | B | -1.3315 | |
| 455 | P | B | -0.6510 | |
| 456 | S | B | -0.2923 | |
| 457 | T | B | 0.0130 | |
| 458 | T | B | 0.6770 | |
| 459 | F | B | 1.7270 | |
| 460 | S | B | 0.5083 | |
| 461 | A | B | 0.1109 | |
| 462 | A | B | -0.3549 | |
| 463 | K | B | -1.3258 | |
| 464 | F | B | -0.0785 | |
| 465 | A | B | -0.1972 | |
| 466 | S | B | -0.2689 | |
| 467 | F | B | 0.3046 | |
| 468 | I | B | 0.6230 | |
| 469 | T | B | 0.1865 | |
| 470 | Q | B | 0.0000 | |
| 471 | Y | B | 0.2324 | |
| 472 | S | B | 0.0000 | |
| 473 | T | B | 0.0752 | |
| 474 | G | B | 0.0000 | |
| 475 | Q | B | -0.2529 | |
| 476 | V | B | 0.0000 | |
| 477 | S | B | -0.7038 | |
| 478 | V | B | 0.0000 | |
| 479 | E | B | -1.4443 | |
| 480 | I | B | 0.0000 | |
| 481 | E | B | -1.1975 | |
| 482 | W | B | 0.0000 | |
| 483 | E | B | -1.4968 | |
| 484 | L | B | 0.0000 | |
| 485 | Q | B | -1.9678 | |
| 486 | K | B | -2.8365 | |
| 487 | E | B | -2.4061 | |
| 488 | N | B | -2.3526 | |
| 489 | S | B | -1.4061 | |
| 490 | K | B | -0.7362 | |
| 491 | R | B | 0.0000 | |
| 492 | W | B | 0.8668 | |
| 493 | N | B | 0.0440 | |
| 494 | P | B | -0.3314 | |
| 495 | E | B | -0.3849 | |
| 496 | I | B | -0.0471 | |
| 497 | Q | B | -0.5763 | |
| 498 | Y | B | -0.5197 | |
| 499 | T | B | -0.4130 | |
| 500 | S | B | -0.8201 | |
| 501 | N | B | -1.2911 | |
| 502 | Y | B | -0.3864 | |
| 503 | N | B | -1.9312 | |
| 504 | K | B | -1.8793 | |
| 505 | S | B | -0.5381 | |
| 506 | V | B | 0.9530 | |
| 507 | N | B | -0.0165 | |
| 508 | V | B | 0.8219 | |
| 509 | D | B | -0.1701 | |
| 510 | F | B | 0.0000 | |
| 511 | T | B | 0.5139 | |
| 512 | V | B | 0.6147 | |
| 513 | D | B | -0.3340 | |
| 514 | T | B | -0.9020 | |
| 515 | N | B | -1.2245 | |
| 516 | G | B | -0.6392 | |
| 517 | V | B | 0.2108 | |
| 518 | Y | B | 0.1319 | |
| 519 | S | B | -0.3492 | |
| 520 | E | B | -0.9007 | |
| 521 | P | B | -0.8987 | |
| 522 | R | B | -0.9943 | |
| 523 | P | B | -0.5943 | |
| 524 | I | B | 0.0000 | |
| 525 | G | B | -0.2467 | |
| 526 | T | B | 0.0000 | |
| 527 | R | B | 0.0000 | |
| 528 | Y | B | -0.0366 | |
| 529 | L | B | 0.0000 | |
| 530 | T | B | 0.0000 | |
| 531 | R | B | -0.8246 | |
| 532 | N | B | -0.3386 | |
| 533 | L | B | 0.0000 | |
| 15 | G | C | -0.8421 | |
| 16 | A | C | -0.8725 | |
| 17 | D | C | -1.4037 | |
| 18 | G | C | -0.5645 | |
| 19 | V | C | 0.8618 | |
| 20 | G | C | -0.5213 | |
| 21 | N | C | -1.4524 | |
| 22 | S | C | -1.2313 | |
| 23 | S | C | -1.1773 | |
| 24 | G | C | -1.2637 | |
| 25 | N | C | -1.2415 | |
| 26 | W | C | -0.4475 | |
| 27 | H | C | -1.3084 | |
| 28 | C | C | -1.1102 | |
| 29 | D | C | -1.8799 | |
| 30 | S | C | -0.8779 | |
| 31 | T | C | -0.1308 | |
| 32 | W | C | -0.1010 | |
| 33 | M | C | 0.4227 | |
| 34 | G | C | -0.9345 | |
| 35 | D | C | -2.0874 | |
| 36 | R | C | -1.2047 | |
| 37 | V | C | 0.0000 | |
| 38 | I | C | -0.3550 | |
| 39 | T | C | 0.0000 | |
| 40 | T | C | -0.9433 | |
| 41 | S | C | 0.0000 | |
| 42 | T | C | 0.0000 | |
| 43 | R | C | 0.0000 | |
| 44 | T | C | 0.6489 | |
| 45 | W | C | 0.0000 | |
| 46 | A | C | 0.7488 | |
| 47 | L | C | 0.0000 | |
| 48 | P | C | 0.0957 | |
| 49 | T | C | -0.2995 | |
| 50 | Y | C | -0.3140 | |
| 51 | N | C | -0.9571 | |
| 52 | N | C | -1.2442 | |
| 53 | H | C | -0.5640 | |
| 54 | L | C | -0.3289 | |
| 55 | Y | C | -0.5517 | |
| 56 | K | C | -1.5449 | |
| 57 | Q | C | -1.4594 | |
| 58 | I | C | -0.7268 | |
| 59 | S | C | -0.8799 | |
| 60 | S | C | 0.0000 | |
| 61 | Q | C | -1.5233 | |
| 62 | S | C | -1.2246 | |
| 63 | G | C | -1.1515 | |
| 64 | A | C | -1.1959 | |
| 65 | S | C | -1.2274 | |
| 66 | N | C | -1.7507 | |
| 67 | D | C | -1.2122 | |
| 68 | N | C | 0.0000 | |
| 69 | H | C | -1.3406 | |
| 70 | Y | C | 0.0000 | |
| 71 | F | C | 0.0000 | |
| 72 | G | C | 0.0000 | |
| 73 | Y | C | -0.4234 | |
| 74 | S | C | 0.0000 | |
| 75 | T | C | 0.0000 | |
| 76 | P | C | 0.0000 | |
| 77 | W | C | 0.0000 | |
| 78 | G | C | 0.0000 | |
| 79 | Y | C | 0.0000 | |
| 80 | F | C | 0.0000 | |
| 81 | D | C | 0.0000 | |
| 82 | F | C | 0.0000 | |
| 83 | N | C | 0.0000 | |
| 84 | R | C | -0.2618 | |
| 85 | F | C | 0.0000 | |
| 86 | H | C | 0.0000 | |
| 87 | C | C | 0.0000 | |
| 88 | H | C | 0.0000 | |
| 89 | F | C | 0.0000 | |
| 90 | S | C | -1.1000 | |
| 91 | P | C | -1.3754 | |
| 92 | R | C | -2.5503 | |
| 93 | D | C | -2.0602 | |
| 94 | W | C | 0.0000 | |
| 95 | Q | C | -2.1979 | |
| 96 | R | C | -2.4203 | |
| 97 | L | C | 0.0000 | |
| 98 | I | C | 0.0000 | |
| 99 | N | C | 0.0000 | |
| 100 | N | C | -2.0989 | |
| 101 | N | C | 0.0000 | |
| 102 | W | C | 0.0000 | |
| 103 | G | C | 0.0000 | |
| 104 | F | C | 0.0000 | |
| 105 | R | C | -0.8949 | |
| 106 | P | C | 0.0000 | |
| 107 | K | C | -1.9268 | |
| 108 | R | C | -2.0684 | |
| 109 | L | C | 0.0000 | |
| 110 | N | C | -1.0950 | |
| 111 | F | C | 0.0000 | |
| 112 | K | C | -1.0496 | |
| 113 | L | C | 0.0000 | |
| 114 | F | C | 0.0000 | |
| 115 | N | C | -1.2267 | |
| 116 | I | C | 0.0000 | |
| 117 | Q | C | -1.0443 | |
| 118 | V | C | 0.0000 | |
| 119 | K | C | -0.4340 | |
| 120 | E | C | -0.0028 | |
| 121 | V | C | 0.2355 | |
| 122 | T | C | -0.7032 | |
| 123 | Q | C | -2.1392 | |
| 124 | N | C | -2.8985 | |
| 125 | D | C | -2.9316 | |
| 126 | G | C | -2.0902 | |
| 127 | T | C | -1.5249 | |
| 128 | T | C | -0.8054 | |
| 129 | T | C | 0.1587 | |
| 130 | I | C | 1.1997 | |
| 131 | A | C | 0.1452 | |
| 132 | N | C | -1.0105 | |
| 133 | N | C | -0.7100 | |
| 134 | L | C | 0.1355 | |
| 135 | T | C | -0.3373 | |
| 136 | S | C | 0.0000 | |
| 137 | T | C | 0.0000 | |
| 138 | V | C | 0.0000 | |
| 139 | Q | C | -0.5244 | |
| 140 | V | C | 0.0000 | |
| 141 | F | C | 0.0000 | |
| 142 | T | C | -0.4556 | |
| 143 | D | C | 0.0000 | |
| 144 | S | C | -1.0742 | |
| 145 | E | C | -1.9179 | |
| 146 | Y | C | -0.9398 | |
| 147 | Q | C | -1.0866 | |
| 148 | L | C | 0.0000 | |
| 149 | P | C | 0.0000 | |
| 150 | Y | C | 0.1232 | |
| 151 | V | C | 0.0000 | |
| 152 | L | C | 0.0000 | |
| 153 | G | C | -0.0825 | |
| 154 | S | C | -0.0815 | |
| 155 | A | C | 0.0000 | |
| 156 | H | C | 0.0000 | |
| 157 | Q | C | -0.5528 | |
| 158 | G | C | -0.0709 | |
| 159 | C | C | -0.0032 | |
| 160 | L | C | 0.0000 | |
| 161 | P | C | 0.0000 | |
| 162 | P | C | 0.1871 | |
| 163 | F | C | 1.0854 | |
| 164 | P | C | 0.4500 | |
| 165 | A | C | 0.3756 | |
| 166 | D | C | 0.5865 | |
| 167 | V | C | 1.8470 | |
| 168 | F | C | 1.3902 | |
| 169 | M | C | 1.4690 | |
| 170 | V | C | 0.0000 | |
| 171 | P | C | 0.0000 | |
| 172 | Q | C | 0.1349 | |
| 173 | Y | C | 0.0000 | |
| 174 | G | C | 0.0000 | |
| 175 | Y | C | 0.0000 | |
| 176 | L | C | 0.0000 | |
| 177 | T | C | 0.0000 | |
| 178 | L | C | 0.0000 | |
| 179 | N | C | 0.0000 | |
| 180 | N | C | -1.3760 | |
| 181 | G | C | -1.3290 | |
| 182 | S | C | -1.3504 | |
| 183 | Q | C | -1.3031 | |
| 184 | A | C | -0.6600 | |
| 185 | V | C | -0.2909 | |
| 186 | G | C | -0.3334 | |
| 187 | R | C | -0.3363 | |
| 188 | S | C | 0.0000 | |
| 189 | S | C | 0.0000 | |
| 190 | F | C | 0.2148 | |
| 191 | Y | C | 0.0000 | |
| 192 | C | C | 0.3661 | |
| 193 | L | C | 0.0000 | |
| 194 | E | C | -0.5131 | |
| 195 | Y | C | 0.7912 | |
| 196 | F | C | 0.0000 | |
| 197 | P | C | -0.3871 | |
| 198 | S | C | -0.6127 | |
| 199 | Q | C | -1.0903 | |
| 200 | M | C | -0.0994 | |
| 201 | L | C | 0.0000 | |
| 202 | R | C | -1.6262 | |
| 203 | T | C | -0.9469 | |
| 204 | G | C | 0.0000 | |
| 205 | N | C | -1.3804 | |
| 206 | N | C | -1.3257 | |
| 207 | F | C | 0.0000 | |
| 208 | T | C | -0.4656 | |
| 209 | F | C | -0.1140 | |
| 210 | S | C | -0.6320 | |
| 211 | Y | C | -0.6324 | |
| 212 | T | C | -1.3222 | |
| 213 | F | C | 0.0000 | |
| 214 | E | C | -2.0631 | |
| 215 | D | C | -2.1711 | |
| 216 | V | C | 0.0000 | |
| 217 | P | C | -0.5457 | |
| 218 | F | C | -0.0539 | |
| 219 | H | C | 0.0000 | |
| 220 | S | C | 0.0000 | |
| 221 | S | C | 0.0000 | |
| 222 | Y | C | 0.0000 | |
| 223 | A | C | 0.0000 | |
| 224 | H | C | 0.0000 | |
| 225 | S | C | 0.0000 | |
| 226 | Q | C | 0.0000 | |
| 227 | S | C | 0.0000 | |
| 228 | L | C | 0.0000 | |
| 229 | D | C | 0.0000 | |
| 230 | R | C | 0.0000 | |
| 231 | L | C | 0.2366 | |
| 232 | M | C | 0.0000 | |
| 233 | N | C | 0.0000 | |
| 234 | P | C | 0.0000 | |
| 235 | L | C | 0.5543 | |
| 236 | I | C | 0.1080 | |
| 237 | D | C | -0.5628 | |
| 238 | Q | C | 0.0000 | |
| 239 | Y | C | 0.0000 | |
| 240 | L | C | 0.0000 | |
| 241 | Y | C | 0.0000 | |
| 242 | Y | C | 0.0000 | |
| 243 | L | C | 0.0000 | |
| 244 | S | C | -0.6058 | |
| 245 | R | C | -1.1547 | |
| 246 | T | C | 0.0000 | |
| 247 | N | C | 0.0000 | |
| 248 | T | C | -1.1557 | |
| 249 | P | C | -0.7672 | |
| 250 | S | C | -0.7211 | |
| 251 | G | C | -0.7269 | |
| 252 | T | C | -0.4057 | |
| 253 | T | C | -0.6444 | |
| 254 | T | C | -1.1486 | |
| 255 | Q | C | -1.5821 | |
| 256 | S | C | -1.7445 | |
| 257 | R | C | -1.7343 | |
| 258 | L | C | 0.0000 | |
| 259 | Q | C | -1.1150 | |
| 260 | F | C | 0.0000 | |
| 261 | S | C | 0.0000 | |
| 262 | Q | C | -0.9526 | |
| 263 | A | C | 0.0000 | |
| 264 | G | C | 0.0000 | |
| 265 | A | C | -0.1898 | |
| 266 | S | C | -0.6488 | |
| 267 | D | C | -0.5507 | |
| 268 | I | C | 0.0000 | |
| 269 | R | C | -0.7522 | |
| 270 | D | C | 0.0000 | |
| 271 | Q | C | 0.0000 | |
| 272 | S | C | 0.0000 | |
| 273 | R | C | 0.0000 | |
| 274 | N | C | 0.0000 | |
| 275 | W | C | 0.0000 | |
| 276 | L | C | 0.0000 | |
| 277 | P | C | 0.0000 | |
| 278 | G | C | 0.0000 | |
| 279 | P | C | 0.0000 | |
| 280 | C | C | 0.0000 | |
| 281 | Y | C | 0.0000 | |
| 282 | R | C | 0.0000 | |
| 283 | Q | C | 0.0000 | |
| 284 | Q | C | 0.0000 | |
| 285 | R | C | -0.3179 | |
| 286 | V | C | 0.0000 | |
| 287 | S | C | 0.0000 | |
| 288 | K | C | -1.8868 | |
| 289 | T | C | -1.0325 | |
| 290 | S | C | -1.2437 | |
| 291 | A | C | -1.0721 | |
| 292 | D | C | -1.6706 | |
| 293 | N | C | 0.0000 | |
| 294 | N | C | 0.0000 | |
| 295 | N | C | -2.5829 | |
| 296 | S | C | -1.8937 | |
| 297 | E | C | -1.9201 | |
| 298 | Y | C | 0.0000 | |
| 299 | S | C | 0.0000 | |
| 300 | W | C | -0.1426 | |
| 301 | T | C | -0.1827 | |
| 302 | G | C | 0.0000 | |
| 303 | A | C | 0.0000 | |
| 304 | T | C | 0.0000 | |
| 305 | K | C | 0.0000 | |
| 306 | Y | C | 0.0000 | |
| 307 | H | C | -0.5955 | |
| 308 | L | C | 0.0000 | |
| 309 | N | C | -0.6863 | |
| 310 | G | C | -0.7460 | |
| 311 | R | C | 0.0000 | |
| 312 | D | C | -0.7707 | |
| 313 | S | C | 0.0000 | |
| 314 | L | C | 0.0000 | |
| 315 | V | C | 0.0000 | |
| 316 | N | C | 0.0000 | |
| 317 | P | C | 0.0000 | |
| 318 | G | C | 0.0000 | |
| 319 | P | C | 0.0000 | |
| 320 | A | C | -0.0796 | |
| 321 | M | C | 0.0000 | |
| 322 | A | C | 0.0000 | |
| 323 | S | C | 0.0000 | |
| 324 | H | C | 0.0000 | |
| 325 | K | C | -1.5911 | |
| 326 | D | C | -2.0485 | |
| 327 | D | C | -2.9390 | |
| 328 | E | C | -2.6701 | |
| 329 | E | C | -3.4360 | |
| 330 | K | C | -2.6568 | |
| 331 | F | C | 0.0000 | |
| 332 | F | C | 0.0000 | |
| 333 | P | C | 0.0000 | |
| 334 | Q | C | 0.0000 | |
| 335 | S | C | 0.0000 | |
| 336 | G | C | 0.0000 | |
| 337 | V | C | 0.0000 | |
| 338 | L | C | 0.0000 | |
| 339 | I | C | 0.0000 | |
| 340 | F | C | 0.0000 | |
| 341 | G | C | -1.6934 | |
| 342 | K | C | -2.3950 | |
| 343 | Q | C | -1.7646 | |
| 344 | G | C | -1.6659 | |
| 345 | S | C | -2.3263 | |
| 346 | E | C | -2.7677 | |
| 347 | K | C | -1.8775 | |
| 348 | T | C | -1.3165 | |
| 349 | N | C | -1.3053 | |
| 350 | V | C | 0.0000 | |
| 351 | D | C | -1.5716 | |
| 352 | I | C | -1.3108 | |
| 353 | E | C | -2.3092 | |
| 354 | K | C | -2.3410 | |
| 355 | V | C | 0.0000 | |
| 356 | M | C | 0.0000 | |
| 357 | I | C | -0.3317 | |
| 358 | T | C | 0.0000 | |
| 359 | D | C | -1.2438 | |
| 360 | E | C | 0.0000 | |
| 361 | E | C | -1.3421 | |
| 362 | E | C | -0.6929 | |
| 363 | I | C | 0.0000 | |
| 364 | R | C | 0.0000 | |
| 365 | T | C | 0.0000 | |
| 366 | T | C | 0.0000 | |
| 367 | N | C | 0.0000 | |
| 368 | P | C | 0.0000 | |
| 369 | V | C | 0.0000 | |
| 370 | A | C | 0.0000 | |
| 371 | T | C | 0.0000 | |
| 372 | E | C | 0.0000 | |
| 373 | Q | C | -0.8493 | |
| 374 | Y | C | 0.0000 | |
| 375 | G | C | 0.0000 | |
| 376 | S | C | -0.8893 | |
| 377 | V | C | 0.0000 | |
| 378 | S | C | 0.0000 | |
| 379 | T | C | -0.5936 | |
| 380 | N | C | -0.6436 | |
| 381 | L | C | -0.6270 | |
| 382 | Q | C | 0.0000 | |
| 383 | R | C | -3.0593 | |
| 384 | G | C | -2.7983 | |
| 385 | N | C | -2.9851 | |
| 386 | R | C | -3.0660 | |
| 387 | Q | C | -2.7060 | |
| 388 | A | C | -1.2080 | |
| 389 | A | C | -0.4706 | |
| 390 | T | C | -0.4674 | |
| 391 | A | C | -0.9504 | |
| 392 | D | C | -1.9145 | |
| 393 | V | C | 0.0000 | |
| 394 | N | C | -0.7460 | |
| 395 | T | C | -0.3542 | |
| 396 | Q | C | 0.0000 | |
| 397 | G | C | 0.0000 | |
| 398 | V | C | 0.0000 | |
| 399 | L | C | 0.0000 | |
| 400 | P | C | 0.0000 | |
| 401 | G | C | 0.0000 | |
| 402 | M | C | 0.0000 | |
| 403 | V | C | 0.0000 | |
| 404 | W | C | 0.0000 | |
| 405 | Q | C | 0.0000 | |
| 406 | D | C | -0.4570 | |
| 407 | R | C | 0.0000 | |
| 408 | D | C | 0.0000 | |
| 409 | V | C | 0.0000 | |
| 410 | Y | C | 0.0000 | |
| 411 | L | C | 0.0000 | |
| 412 | Q | C | 0.0000 | |
| 413 | G | C | 0.0000 | |
| 414 | P | C | 0.0000 | |
| 415 | I | C | 0.0000 | |
| 416 | W | C | 0.0000 | |
| 417 | A | C | 0.0000 | |
| 418 | K | C | -0.6927 | |
| 419 | I | C | -0.6927 | |
| 420 | P | C | 0.0000 | |
| 421 | H | C | -0.8222 | |
| 422 | T | C | -0.5800 | |
| 423 | D | C | -0.8091 | |
| 424 | G | C | 0.0000 | |
| 425 | H | C | -0.7010 | |
| 426 | F | C | -0.2179 | |
| 427 | H | C | -0.4498 | |
| 428 | P | C | -0.4165 | |
| 429 | S | C | -0.2708 | |
| 430 | P | C | 0.0000 | |
| 431 | L | C | 0.0000 | |
| 432 | M | C | 0.0000 | |
| 433 | G | C | 0.0000 | |
| 434 | G | C | -0.1445 | |
| 435 | F | C | 0.0000 | |
| 436 | G | C | -0.6067 | |
| 437 | L | C | 0.0000 | |
| 438 | K | C | -1.8472 | |
| 439 | H | C | -1.6132 | |
| 440 | P | C | 0.0000 | |
| 441 | P | C | 0.0000 | |
| 442 | P | C | 0.0000 | |
| 443 | Q | C | 0.0000 | |
| 444 | I | C | 0.0000 | |
| 445 | L | C | 0.0000 | |
| 446 | I | C | 0.0000 | |
| 447 | K | C | 0.0000 | |
| 448 | N | C | 0.0000 | |
| 449 | T | C | 0.1293 | |
| 450 | P | C | 0.0350 | |
| 451 | V | C | 0.3082 | |
| 452 | P | C | 0.0126 | |
| 453 | A | C | -0.3283 | |
| 454 | N | C | -1.3510 | |
| 455 | P | C | -0.6765 | |
| 456 | S | C | -0.2975 | |
| 457 | T | C | 0.0106 | |
| 458 | T | C | 0.6775 | |
| 459 | F | C | 1.7268 | |
| 460 | S | C | 0.5014 | |
| 461 | A | C | 0.1042 | |
| 462 | A | C | -0.3673 | |
| 463 | K | C | -1.3483 | |
| 464 | F | C | -0.1436 | |
| 465 | A | C | -0.2296 | |
| 466 | S | C | -0.3278 | |
| 467 | F | C | 0.2078 | |
| 468 | I | C | 0.5686 | |
| 469 | T | C | 0.1756 | |
| 470 | Q | C | 0.0000 | |
| 471 | Y | C | 0.2600 | |
| 472 | S | C | 0.0000 | |
| 473 | T | C | 0.1194 | |
| 474 | G | C | 0.0000 | |
| 475 | Q | C | -0.3184 | |
| 476 | V | C | 0.0000 | |
| 477 | S | C | -0.7196 | |
| 478 | V | C | 0.0000 | |
| 479 | E | C | -1.3427 | |
| 480 | I | C | 0.0000 | |
| 481 | E | C | -1.0789 | |
| 482 | W | C | 0.0000 | |
| 483 | E | C | -1.4323 | |
| 484 | L | C | 0.0000 | |
| 485 | Q | C | -1.9181 | |
| 486 | K | C | -2.5810 | |
| 487 | E | C | -2.3321 | |
| 488 | N | C | -2.3869 | |
| 489 | S | C | -1.5535 | |
| 490 | K | C | -1.1120 | |
| 491 | R | C | 0.0000 | |
| 492 | W | C | 0.7915 | |
| 493 | N | C | -0.0631 | |
| 494 | P | C | -0.3346 | |
| 495 | E | C | -0.3864 | |
| 496 | I | C | -0.0164 | |
| 497 | Q | C | -0.5897 | |
| 498 | Y | C | -0.5308 | |
| 499 | T | C | -0.4245 | |
| 500 | S | C | -0.8707 | |
| 501 | N | C | -1.3233 | |
| 502 | Y | C | -0.3865 | |
| 503 | N | C | -1.9322 | |
| 504 | K | C | -1.8804 | |
| 505 | S | C | -0.5670 | |
| 506 | V | C | 0.9294 | |
| 507 | N | C | -0.0116 | |
| 508 | V | C | 0.8142 | |
| 509 | D | C | -0.2095 | |
| 510 | F | C | 0.0295 | |
| 511 | T | C | 0.6867 | |
| 512 | V | C | 0.7688 | |
| 513 | D | C | -0.3012 | |
| 514 | T | C | -0.8987 | |
| 515 | N | C | -1.2382 | |
| 516 | G | C | -0.5319 | |
| 517 | V | C | 0.3780 | |
| 518 | Y | C | 0.5474 | |
| 519 | S | C | -0.1070 | |
| 520 | E | C | -0.7210 | |
| 521 | P | C | -0.8139 | |
| 522 | R | C | -0.9900 | |
| 523 | P | C | -0.6031 | |
| 524 | I | C | 0.0000 | |
| 525 | G | C | -0.2541 | |
| 526 | T | C | 0.0000 | |
| 527 | R | C | 0.0000 | |
| 528 | Y | C | -0.0314 | |
| 529 | L | C | 0.0000 | |
| 530 | T | C | 0.0000 | |
| 531 | R | C | -0.9203 | |
| 532 | N | C | -0.3597 | |
| 533 | 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 | -0.2801 | 4.0392 | View | CSV | PDB |
| 4.5 | -0.3117 | 4.0392 | View | CSV | PDB |
| 5.0 | -0.3485 | 4.0392 | View | CSV | PDB |
| 5.5 | -0.3847 | 4.0392 | View | CSV | PDB |
| 6.0 | -0.4152 | 4.0392 | View | CSV | PDB |
| 6.5 | -0.436 | 4.0392 | View | CSV | PDB |
| 7.0 | -0.4465 | 4.0392 | View | CSV | PDB |
| 7.5 | -0.4498 | 4.0392 | View | CSV | PDB |
| 8.0 | -0.4486 | 4.0392 | View | CSV | PDB |
| 8.5 | -0.4433 | 4.0392 | View | CSV | PDB |
| 9.0 | -0.4327 | 4.0392 | 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