| 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. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:05:38)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/cc1a7987259df2/tmp/folded.pdb (00:05:38)
[INFO] Main: Simulation completed successfully. (00:19:55)
|
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 | -0.8506 | |
| 16 | A | A | -0.8067 | |
| 17 | D | A | -1.2054 | |
| 18 | G | A | -0.5318 | |
| 19 | V | A | 0.8517 | |
| 20 | G | A | -0.5111 | |
| 21 | N | A | -1.4433 | |
| 22 | S | A | -1.2377 | |
| 23 | S | A | -1.2241 | |
| 24 | G | A | -1.3290 | |
| 25 | N | A | -1.2290 | |
| 26 | W | A | -0.3904 | |
| 27 | H | A | -1.3145 | |
| 28 | C | A | -1.1198 | |
| 29 | D | A | -1.9203 | |
| 30 | S | A | -0.9175 | |
| 31 | T | A | -0.2683 | |
| 32 | W | A | -0.2367 | |
| 33 | M | A | -0.1630 | |
| 34 | G | A | -1.4717 | |
| 35 | D | A | -2.8473 | |
| 36 | R | A | -2.1252 | |
| 37 | V | A | 0.0000 | |
| 38 | I | A | -0.5204 | |
| 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 | 0.3545 | |
| 45 | W | A | 0.0000 | |
| 46 | A | A | 0.6967 | |
| 47 | L | A | 0.0000 | |
| 48 | P | A | 0.0921 | |
| 49 | T | A | -0.1735 | |
| 50 | Y | A | -0.0865 | |
| 51 | N | A | -0.4578 | |
| 52 | N | A | -0.9060 | |
| 53 | H | A | -0.0755 | |
| 54 | L | A | 0.6723 | |
| 55 | Y | A | 0.0570 | |
| 56 | K | A | -0.9841 | |
| 57 | Q | A | -1.2336 | |
| 58 | I | A | -0.6689 | |
| 59 | S | A | -0.8699 | |
| 60 | S | A | 0.0000 | |
| 61 | Q | A | -1.5423 | |
| 62 | S | A | -1.0974 | |
| 63 | G | A | -1.1645 | |
| 64 | A | A | -1.2335 | |
| 65 | S | A | -1.2778 | |
| 66 | N | A | -1.7770 | |
| 67 | D | A | -1.2731 | |
| 68 | N | A | -1.2370 | |
| 69 | H | A | -1.4046 | |
| 70 | Y | A | 0.0000 | |
| 71 | F | A | 0.0000 | |
| 72 | G | A | 0.0000 | |
| 73 | Y | A | -0.3762 | |
| 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 | -0.2738 | |
| 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 | -1.1538 | |
| 91 | P | A | -1.4552 | |
| 92 | R | A | -2.5329 | |
| 93 | D | A | -2.0320 | |
| 94 | W | A | 0.0000 | |
| 95 | Q | A | -2.0834 | |
| 96 | R | A | -2.2872 | |
| 97 | L | A | 0.0000 | |
| 98 | I | A | 0.0000 | |
| 99 | N | A | 0.0000 | |
| 100 | N | A | -1.9458 | |
| 101 | N | A | 0.0000 | |
| 102 | W | A | 0.0000 | |
| 103 | G | A | 0.0000 | |
| 104 | F | A | 0.0000 | |
| 105 | R | A | -0.9919 | |
| 106 | P | A | 0.0000 | |
| 107 | K | A | -1.8652 | |
| 108 | R | A | -1.9880 | |
| 109 | L | A | 0.0000 | |
| 110 | N | A | -1.0461 | |
| 111 | F | A | 0.0000 | |
| 112 | K | A | -1.1729 | |
| 113 | L | A | 0.0000 | |
| 114 | F | A | 0.0000 | |
| 115 | N | A | -1.2259 | |
| 116 | I | A | 0.0000 | |
| 117 | Q | A | -1.0196 | |
| 118 | V | A | 0.0000 | |
| 119 | K | A | -0.4632 | |
| 120 | E | A | -0.0357 | |
| 121 | V | A | 0.1776 | |
| 122 | T | A | -0.7439 | |
| 123 | Q | A | -2.1525 | |
| 124 | N | A | -2.8991 | |
| 125 | D | A | -2.9302 | |
| 126 | G | A | -2.0950 | |
| 127 | T | A | -1.6976 | |
| 128 | T | A | -0.8364 | |
| 129 | T | A | 0.0957 | |
| 130 | I | A | 1.0738 | |
| 131 | A | A | 0.0734 | |
| 132 | N | A | -1.0468 | |
| 133 | N | A | -0.7135 | |
| 134 | L | A | 0.1237 | |
| 135 | T | A | -0.3005 | |
| 136 | S | A | 0.0000 | |
| 137 | T | A | -0.3839 | |
| 138 | V | A | 0.0000 | |
| 139 | Q | A | -0.4700 | |
| 140 | V | A | 0.0000 | |
| 141 | F | A | 0.0000 | |
| 142 | T | A | -0.4477 | |
| 143 | D | A | 0.0000 | |
| 144 | S | A | -1.1670 | |
| 145 | E | A | -1.9933 | |
| 146 | Y | A | -1.0507 | |
| 147 | Q | A | -1.1042 | |
| 148 | L | A | 0.0000 | |
| 149 | P | A | 0.0000 | |
| 150 | Y | A | 0.0000 | |
| 151 | V | A | 0.0000 | |
| 152 | L | A | 0.0000 | |
| 153 | G | A | -0.1309 | |
| 154 | S | A | -0.0884 | |
| 155 | A | A | 0.0000 | |
| 156 | H | A | 0.0000 | |
| 157 | Q | A | -0.5187 | |
| 158 | G | A | -0.0941 | |
| 159 | C | A | -0.0333 | |
| 160 | L | A | 0.0000 | |
| 161 | P | A | 0.0484 | |
| 162 | P | A | -0.2074 | |
| 163 | F | A | 0.3684 | |
| 164 | P | A | -0.0514 | |
| 165 | A | A | -0.2353 | |
| 166 | D | A | -0.5276 | |
| 167 | V | A | 1.2889 | |
| 168 | F | A | 1.0752 | |
| 169 | M | A | 1.3233 | |
| 170 | V | A | 0.0000 | |
| 171 | P | A | 0.0000 | |
| 172 | Q | A | 0.1309 | |
| 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 | -1.3534 | |
| 181 | G | A | -1.3484 | |
| 182 | S | A | -1.3673 | |
| 183 | Q | A | -1.2953 | |
| 184 | A | A | -0.6321 | |
| 185 | V | A | -0.1916 | |
| 186 | G | A | -0.2715 | |
| 187 | R | A | -0.2848 | |
| 188 | S | A | 0.0000 | |
| 189 | S | A | 0.0000 | |
| 190 | F | A | 0.2137 | |
| 191 | Y | A | 0.0000 | |
| 192 | C | A | 0.3450 | |
| 193 | L | A | 0.0000 | |
| 194 | E | A | -0.5669 | |
| 195 | Y | A | 0.7581 | |
| 196 | F | A | 0.0000 | |
| 197 | P | A | -0.3806 | |
| 198 | S | A | -0.5951 | |
| 199 | Q | A | -1.0325 | |
| 200 | M | A | -0.0102 | |
| 201 | L | A | 0.0000 | |
| 202 | R | A | -1.3164 | |
| 203 | T | A | -0.8375 | |
| 204 | G | A | -1.0224 | |
| 205 | N | A | -1.2856 | |
| 206 | N | A | -1.3525 | |
| 207 | F | A | 0.0000 | |
| 208 | T | A | -0.5288 | |
| 209 | F | A | -0.1579 | |
| 210 | S | A | -0.6375 | |
| 211 | Y | A | -0.5909 | |
| 212 | T | A | -1.2781 | |
| 213 | F | A | 0.0000 | |
| 214 | E | A | -2.0430 | |
| 215 | D | A | -2.1218 | |
| 216 | V | A | 0.0000 | |
| 217 | P | A | -0.6479 | |
| 218 | F | A | -0.2732 | |
| 219 | H | A | -0.2304 | |
| 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 | 0.2142 | |
| 232 | M | A | 0.0000 | |
| 233 | N | A | 0.0000 | |
| 234 | P | A | 0.0000 | |
| 235 | L | A | 0.6093 | |
| 236 | I | A | 0.2131 | |
| 237 | D | A | -0.4302 | |
| 238 | Q | A | 0.0000 | |
| 239 | Y | A | 0.0000 | |
| 240 | L | A | 0.0000 | |
| 241 | Y | A | 0.0000 | |
| 242 | Y | A | -0.1179 | |
| 243 | L | A | 0.0000 | |
| 244 | S | A | -0.6842 | |
| 245 | R | A | -1.3013 | |
| 246 | T | A | 0.0000 | |
| 247 | N | A | 0.0000 | |
| 248 | T | A | -1.1577 | |
| 249 | P | A | -0.7209 | |
| 250 | S | A | -0.6572 | |
| 251 | G | A | -0.7004 | |
| 252 | T | A | -0.4069 | |
| 253 | T | A | -0.5972 | |
| 254 | T | A | -1.0567 | |
| 255 | Q | A | -1.3799 | |
| 256 | S | A | -1.6619 | |
| 257 | R | A | -1.7765 | |
| 258 | L | A | 0.0000 | |
| 259 | Q | A | -1.2890 | |
| 260 | F | A | 0.0000 | |
| 261 | S | A | 0.0000 | |
| 262 | Q | A | -1.0186 | |
| 263 | A | A | 0.0000 | |
| 264 | G | A | 0.0000 | |
| 265 | A | A | -0.1440 | |
| 266 | S | A | -0.6295 | |
| 267 | D | A | -0.5821 | |
| 268 | I | A | 0.0000 | |
| 269 | R | A | -0.7781 | |
| 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 | -0.2134 | |
| 286 | V | A | 0.0000 | |
| 287 | S | A | 0.0000 | |
| 288 | K | A | -1.8062 | |
| 289 | T | A | -0.9615 | |
| 290 | S | A | -1.1870 | |
| 291 | A | A | -1.0100 | |
| 292 | D | A | -1.4739 | |
| 293 | N | A | 0.0000 | |
| 294 | N | A | -2.7830 | |
| 295 | N | A | -2.6857 | |
| 296 | S | A | -1.7083 | |
| 297 | E | A | -1.6008 | |
| 298 | Y | A | 0.0000 | |
| 299 | S | A | 0.0000 | |
| 300 | W | A | -0.0541 | |
| 301 | T | A | -0.1265 | |
| 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 | -0.5830 | |
| 308 | L | A | 0.0000 | |
| 309 | N | A | 0.0000 | |
| 310 | G | A | -0.6684 | |
| 311 | R | A | 0.0000 | |
| 312 | D | A | -0.8038 | |
| 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 | -0.1010 | |
| 321 | M | A | 0.0000 | |
| 322 | A | A | 0.0000 | |
| 323 | S | A | 0.0000 | |
| 324 | H | A | 0.0000 | |
| 325 | K | A | -1.6295 | |
| 326 | D | A | -2.0833 | |
| 327 | D | A | -2.9532 | |
| 328 | E | A | -2.6509 | |
| 329 | E | A | -3.3475 | |
| 330 | K | A | -2.5484 | |
| 331 | F | A | -1.6578 | |
| 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 | -1.7909 | |
| 342 | K | A | -2.5533 | |
| 343 | Q | A | -2.1197 | |
| 344 | G | A | -1.8200 | |
| 345 | S | A | -2.3929 | |
| 346 | E | A | -2.7885 | |
| 347 | K | A | -2.1623 | |
| 348 | T | A | -1.5126 | |
| 349 | N | A | -1.5199 | |
| 350 | V | A | 0.0000 | |
| 351 | D | A | -1.5178 | |
| 352 | I | A | -1.2734 | |
| 353 | E | A | -2.2609 | |
| 354 | K | A | -2.3044 | |
| 355 | V | A | 0.0000 | |
| 356 | M | A | 0.0000 | |
| 357 | I | A | -0.2872 | |
| 358 | T | A | 0.0000 | |
| 359 | D | A | -1.0207 | |
| 360 | E | A | 0.0000 | |
| 361 | E | A | -1.1565 | |
| 362 | E | A | -0.6223 | |
| 363 | I | A | 0.0000 | |
| 364 | R | A | -0.5630 | |
| 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 | -0.6465 | |
| 373 | Q | A | -0.9661 | |
| 374 | Y | A | 0.0000 | |
| 375 | G | A | 0.0000 | |
| 376 | S | A | -0.8813 | |
| 377 | V | A | 0.0000 | |
| 378 | S | A | 0.0000 | |
| 379 | T | A | -0.6137 | |
| 380 | N | A | -0.5921 | |
| 381 | L | A | -0.5042 | |
| 382 | Q | A | 0.0000 | |
| 383 | R | A | -2.5713 | |
| 384 | G | A | -2.4909 | |
| 385 | N | A | -2.7102 | |
| 386 | R | A | -2.6275 | |
| 387 | Q | A | -2.3422 | |
| 388 | A | A | -1.0228 | |
| 389 | A | A | -0.3909 | |
| 390 | T | A | -0.4690 | |
| 391 | A | A | -0.9534 | |
| 392 | D | A | -1.9432 | |
| 393 | V | A | 0.0000 | |
| 394 | N | A | -0.7955 | |
| 395 | T | A | -0.3584 | |
| 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 | -0.4717 | |
| 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 | -0.9904 | |
| 419 | I | A | 0.0000 | |
| 420 | P | A | 0.0000 | |
| 421 | H | A | -1.1443 | |
| 422 | T | A | -0.6832 | |
| 423 | D | A | -0.8093 | |
| 424 | G | A | 0.0000 | |
| 425 | H | A | -0.7434 | |
| 426 | F | A | 0.0000 | |
| 427 | H | A | -0.4716 | |
| 428 | P | A | -0.5108 | |
| 429 | S | A | -0.3352 | |
| 430 | P | A | 0.0000 | |
| 431 | L | A | 0.0000 | |
| 432 | M | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | G | A | -0.1795 | |
| 435 | F | A | 0.0000 | |
| 436 | G | A | -0.7355 | |
| 437 | L | A | 0.0000 | |
| 438 | K | A | -2.2822 | |
| 439 | H | A | -2.1204 | |
| 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 | 0.1400 | |
| 450 | P | A | -0.0248 | |
| 451 | V | A | 0.2662 | |
| 452 | P | A | 0.0685 | |
| 453 | A | A | -0.2926 | |
| 454 | N | A | -1.3363 | |
| 455 | P | A | -0.6468 | |
| 456 | S | A | -0.2927 | |
| 457 | T | A | 0.0105 | |
| 458 | T | A | 0.6761 | |
| 459 | F | A | 1.7277 | |
| 460 | S | A | 0.5316 | |
| 461 | A | A | 0.1351 | |
| 462 | A | A | -0.3368 | |
| 463 | K | A | -1.2998 | |
| 464 | F | A | -0.0483 | |
| 465 | A | A | -0.0959 | |
| 466 | S | A | -0.2731 | |
| 467 | F | A | 0.2822 | |
| 468 | I | A | 0.6001 | |
| 469 | T | A | 0.1787 | |
| 470 | Q | A | 0.0000 | |
| 471 | Y | A | 0.2502 | |
| 472 | S | A | 0.0000 | |
| 473 | T | A | 0.1029 | |
| 474 | G | A | 0.0000 | |
| 475 | Q | A | -0.3378 | |
| 476 | V | A | 0.0000 | |
| 477 | S | A | -0.7732 | |
| 478 | V | A | 0.0000 | |
| 479 | E | A | -1.5589 | |
| 480 | I | A | 0.0000 | |
| 481 | E | A | 0.0000 | |
| 482 | W | A | 0.0000 | |
| 483 | E | A | -1.7448 | |
| 484 | L | A | 0.0000 | |
| 485 | Q | A | -2.3073 | |
| 486 | K | A | -3.2234 | |
| 487 | E | A | -2.2611 | |
| 488 | N | A | -2.2803 | |
| 489 | S | A | -1.3314 | |
| 490 | K | A | -0.6342 | |
| 491 | R | A | 0.0000 | |
| 492 | W | A | 0.8666 | |
| 493 | N | A | 0.0600 | |
| 494 | P | A | -0.3138 | |
| 495 | E | A | -0.3222 | |
| 496 | I | A | 0.0878 | |
| 497 | Q | A | -0.4927 | |
| 498 | Y | A | -0.4621 | |
| 499 | T | A | -0.3985 | |
| 500 | S | A | -0.8908 | |
| 501 | N | A | -1.3299 | |
| 502 | Y | A | -0.3827 | |
| 503 | N | A | -1.9273 | |
| 504 | K | A | -1.8799 | |
| 505 | S | A | -0.5781 | |
| 506 | V | A | 0.9176 | |
| 507 | N | A | -0.0724 | |
| 508 | V | A | 0.7184 | |
| 509 | D | A | -0.4025 | |
| 510 | F | A | -0.2338 | |
| 511 | T | A | 0.4952 | |
| 512 | V | A | 0.5936 | |
| 513 | D | A | -0.3938 | |
| 514 | T | A | -0.9190 | |
| 515 | N | A | -1.2521 | |
| 516 | G | A | -0.6569 | |
| 517 | V | A | 0.1601 | |
| 518 | Y | A | 0.1203 | |
| 519 | S | A | -0.3805 | |
| 520 | E | A | -0.9225 | |
| 521 | P | A | -0.9622 | |
| 522 | R | A | -1.0622 | |
| 523 | P | A | -0.6047 | |
| 524 | I | A | 0.0000 | |
| 525 | G | A | -0.2287 | |
| 526 | T | A | 0.0000 | |
| 527 | R | A | 0.0000 | |
| 528 | Y | A | 0.0620 | |
| 529 | L | A | 0.0000 | |
| 530 | T | A | 0.0000 | |
| 531 | R | A | -0.8350 | |
| 532 | N | A | -0.4160 | |
| 533 | L | A | 0.0000 | |
| 15 | G | B | -0.8192 | |
| 16 | A | B | -0.7474 | |
| 17 | D | B | -1.1502 | |
| 18 | G | B | -0.5068 | |
| 19 | V | B | 0.8367 | |
| 20 | G | B | -0.5015 | |
| 21 | N | B | -1.4283 | |
| 22 | S | B | -1.2465 | |
| 23 | S | B | -1.2136 | |
| 24 | G | B | -1.3469 | |
| 25 | N | B | -1.2754 | |
| 26 | W | B | -0.4183 | |
| 27 | H | B | -1.3328 | |
| 28 | C | B | -1.0035 | |
| 29 | D | B | -1.9228 | |
| 30 | S | B | -0.9132 | |
| 31 | T | B | -0.2019 | |
| 32 | W | B | -0.0169 | |
| 33 | M | B | 0.1944 | |
| 34 | G | B | -0.8266 | |
| 35 | D | B | -1.6184 | |
| 36 | R | B | -1.2842 | |
| 37 | V | B | 0.0000 | |
| 38 | I | B | -0.4667 | |
| 39 | T | B | 0.0000 | |
| 40 | T | B | -1.0279 | |
| 41 | S | B | 0.0000 | |
| 42 | T | B | 0.0000 | |
| 43 | R | B | 0.0000 | |
| 44 | T | B | 0.5370 | |
| 45 | W | B | 0.0000 | |
| 46 | A | B | 0.6741 | |
| 47 | L | B | 0.0000 | |
| 48 | P | B | 0.0795 | |
| 49 | T | B | -0.1774 | |
| 50 | Y | B | -0.0961 | |
| 51 | N | B | -0.4630 | |
| 52 | N | B | -0.9127 | |
| 53 | H | B | -0.0776 | |
| 54 | L | B | 0.6764 | |
| 55 | Y | B | 0.0579 | |
| 56 | K | B | -0.9765 | |
| 57 | Q | B | -1.2357 | |
| 58 | I | B | -0.6650 | |
| 59 | S | B | -0.8387 | |
| 60 | S | B | 0.0000 | |
| 61 | Q | B | -1.5141 | |
| 62 | S | B | -1.2256 | |
| 63 | G | B | -1.1517 | |
| 64 | A | B | -1.1829 | |
| 65 | S | B | -1.2360 | |
| 66 | N | B | -1.7433 | |
| 67 | D | B | -1.2091 | |
| 68 | N | B | 0.0000 | |
| 69 | H | B | -1.2869 | |
| 70 | Y | B | -0.6106 | |
| 71 | F | B | 0.0000 | |
| 72 | G | B | 0.0000 | |
| 73 | Y | B | -0.3669 | |
| 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 | -0.2285 | |
| 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 | -1.0623 | |
| 91 | P | B | -1.3494 | |
| 92 | R | B | -2.3534 | |
| 93 | D | B | -1.9614 | |
| 94 | W | B | 0.0000 | |
| 95 | Q | B | -1.9138 | |
| 96 | R | B | -2.2829 | |
| 97 | L | B | 0.0000 | |
| 98 | I | B | 0.0000 | |
| 99 | N | B | 0.0000 | |
| 100 | N | B | -1.8201 | |
| 101 | N | B | 0.0000 | |
| 102 | W | B | -0.8721 | |
| 103 | G | B | 0.0000 | |
| 104 | F | B | 0.0000 | |
| 105 | R | B | -0.9896 | |
| 106 | P | B | 0.0000 | |
| 107 | K | B | -2.0884 | |
| 108 | R | B | -2.4557 | |
| 109 | L | B | 0.0000 | |
| 110 | N | B | -1.1736 | |
| 111 | F | B | 0.0000 | |
| 112 | K | B | -1.2404 | |
| 113 | L | B | 0.0000 | |
| 114 | F | B | 0.0000 | |
| 115 | N | B | -1.1910 | |
| 116 | I | B | 0.0000 | |
| 117 | Q | B | -0.9999 | |
| 118 | V | B | 0.0000 | |
| 119 | K | B | -0.5211 | |
| 120 | E | B | -0.0629 | |
| 121 | V | B | 0.1696 | |
| 122 | T | B | -0.7369 | |
| 123 | Q | B | -2.1521 | |
| 124 | N | B | -2.8880 | |
| 125 | D | B | -2.9275 | |
| 126 | G | B | -2.0929 | |
| 127 | T | B | -1.6923 | |
| 128 | T | B | -0.8557 | |
| 129 | T | B | 0.0376 | |
| 130 | I | B | 0.9307 | |
| 131 | A | B | -0.0183 | |
| 132 | N | B | -1.1342 | |
| 133 | N | B | -0.7908 | |
| 134 | L | B | 0.0014 | |
| 135 | T | B | -0.3113 | |
| 136 | S | B | 0.0000 | |
| 137 | T | B | -0.3813 | |
| 138 | V | B | 0.0000 | |
| 139 | Q | B | -0.5606 | |
| 140 | V | B | 0.0000 | |
| 141 | F | B | 0.0000 | |
| 142 | T | B | -0.4017 | |
| 143 | D | B | 0.0000 | |
| 144 | S | B | -1.0003 | |
| 145 | E | B | -1.6464 | |
| 146 | Y | B | -0.9208 | |
| 147 | Q | B | -0.9783 | |
| 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 | -0.1273 | |
| 154 | S | B | -0.0814 | |
| 155 | A | B | 0.0000 | |
| 156 | H | B | 0.0000 | |
| 157 | Q | B | -0.4891 | |
| 158 | G | B | -0.0974 | |
| 159 | C | B | -0.0273 | |
| 160 | L | B | 0.0000 | |
| 161 | P | B | 0.0000 | |
| 162 | P | B | 0.1583 | |
| 163 | F | B | 1.0504 | |
| 164 | P | B | 0.4266 | |
| 165 | A | B | 0.3744 | |
| 166 | D | B | 0.6198 | |
| 167 | V | B | 1.8162 | |
| 168 | F | B | 1.3069 | |
| 169 | M | B | 1.2727 | |
| 170 | V | B | 0.0000 | |
| 171 | P | B | 0.0000 | |
| 172 | Q | B | 0.1287 | |
| 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 | -1.3157 | |
| 181 | G | B | -1.2918 | |
| 182 | S | B | -1.3229 | |
| 183 | Q | B | -1.2567 | |
| 184 | A | B | -0.5665 | |
| 185 | V | B | -0.0955 | |
| 186 | G | B | -0.2229 | |
| 187 | R | B | -0.2103 | |
| 188 | S | B | 0.0000 | |
| 189 | S | B | 0.0000 | |
| 190 | F | B | 0.2143 | |
| 191 | Y | B | 0.0000 | |
| 192 | C | B | 0.3475 | |
| 193 | L | B | 0.0000 | |
| 194 | E | B | -0.5658 | |
| 195 | Y | B | 0.7626 | |
| 196 | F | B | 0.0000 | |
| 197 | P | B | -0.4149 | |
| 198 | S | B | -0.6746 | |
| 199 | Q | B | -1.1303 | |
| 200 | M | B | -0.2576 | |
| 201 | L | B | 0.0000 | |
| 202 | R | B | -1.1155 | |
| 203 | T | B | -0.7250 | |
| 204 | G | B | -0.9423 | |
| 205 | N | B | -1.2153 | |
| 206 | N | B | -1.2563 | |
| 207 | F | B | -0.5645 | |
| 208 | T | B | -0.4730 | |
| 209 | F | B | -0.1423 | |
| 210 | S | B | -0.7364 | |
| 211 | Y | B | -0.7538 | |
| 212 | T | B | -1.5404 | |
| 213 | F | B | 0.0000 | |
| 214 | E | B | -2.3326 | |
| 215 | D | B | -2.2729 | |
| 216 | V | B | 0.0000 | |
| 217 | P | B | -0.6759 | |
| 218 | F | B | -0.2546 | |
| 219 | H | B | -0.2095 | |
| 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 | 0.2006 | |
| 232 | M | B | 0.0000 | |
| 233 | N | B | 0.0000 | |
| 234 | P | B | 0.0000 | |
| 235 | L | B | 0.6362 | |
| 236 | I | B | 0.2310 | |
| 237 | D | B | -0.4183 | |
| 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 | -0.6459 | |
| 245 | R | B | -1.2332 | |
| 246 | T | B | 0.0000 | |
| 247 | N | B | 0.0000 | |
| 248 | T | B | -1.1779 | |
| 249 | P | B | -0.7513 | |
| 250 | S | B | -0.6908 | |
| 251 | G | B | -0.7142 | |
| 252 | T | B | -0.4061 | |
| 253 | T | B | -0.6260 | |
| 254 | T | B | -1.1254 | |
| 255 | Q | B | -1.5149 | |
| 256 | S | B | -1.7578 | |
| 257 | R | B | -1.8274 | |
| 258 | L | B | 0.0000 | |
| 259 | Q | B | -1.2063 | |
| 260 | F | B | 0.0000 | |
| 261 | S | B | 0.0000 | |
| 262 | Q | B | -0.9824 | |
| 263 | A | B | 0.0000 | |
| 264 | G | B | 0.0000 | |
| 265 | A | B | -0.1598 | |
| 266 | S | B | -0.6609 | |
| 267 | D | B | -0.6218 | |
| 268 | I | B | 0.0000 | |
| 269 | R | B | -0.8046 | |
| 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 | -0.2693 | |
| 286 | V | B | 0.0000 | |
| 287 | S | B | 0.0000 | |
| 288 | K | B | -1.8557 | |
| 289 | T | B | -0.9850 | |
| 290 | S | B | -1.1878 | |
| 291 | A | B | -1.0005 | |
| 292 | D | B | -1.4948 | |
| 293 | N | B | 0.0000 | |
| 294 | N | B | -2.4944 | |
| 295 | N | B | -2.4327 | |
| 296 | S | B | -1.5507 | |
| 297 | E | B | -1.4773 | |
| 298 | Y | B | 0.0000 | |
| 299 | S | B | 0.0000 | |
| 300 | W | B | -0.0533 | |
| 301 | T | B | -0.1163 | |
| 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 | -0.6092 | |
| 308 | L | B | 0.0000 | |
| 309 | N | B | -0.6580 | |
| 310 | G | B | -0.7431 | |
| 311 | R | B | 0.0000 | |
| 312 | D | B | -0.8029 | |
| 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 | -0.0995 | |
| 321 | M | B | 0.0000 | |
| 322 | A | B | 0.0000 | |
| 323 | S | B | 0.0000 | |
| 324 | H | B | 0.0000 | |
| 325 | K | B | -1.5218 | |
| 326 | D | B | -1.9691 | |
| 327 | D | B | -2.9290 | |
| 328 | E | B | -2.5989 | |
| 329 | E | B | -3.3349 | |
| 330 | K | B | -2.5770 | |
| 331 | F | B | -1.6636 | |
| 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 | -1.7457 | |
| 342 | K | B | -2.4415 | |
| 343 | Q | B | -1.8125 | |
| 344 | G | B | -1.6889 | |
| 345 | S | B | -2.3637 | |
| 346 | E | B | -2.8275 | |
| 347 | K | B | -2.1452 | |
| 348 | T | B | -1.5608 | |
| 349 | N | B | -1.6674 | |
| 350 | V | B | 0.0000 | |
| 351 | D | B | -1.7205 | |
| 352 | I | B | -1.4177 | |
| 353 | E | B | -2.3802 | |
| 354 | K | B | -2.4679 | |
| 355 | V | B | 0.0000 | |
| 356 | M | B | 0.0000 | |
| 357 | I | B | -0.2978 | |
| 358 | T | B | 0.0000 | |
| 359 | D | B | -1.0238 | |
| 360 | E | B | 0.0000 | |
| 361 | E | B | -1.0913 | |
| 362 | E | B | -0.6178 | |
| 363 | I | B | 0.0000 | |
| 364 | R | B | -0.4996 | |
| 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 | -0.6609 | |
| 373 | Q | B | -0.9815 | |
| 374 | Y | B | 0.0000 | |
| 375 | G | B | 0.0000 | |
| 376 | S | B | -0.8618 | |
| 377 | V | B | 0.0000 | |
| 378 | S | B | 0.0000 | |
| 379 | T | B | -0.6008 | |
| 380 | N | B | -0.5557 | |
| 381 | L | B | -0.4618 | |
| 382 | Q | B | 0.0000 | |
| 383 | R | B | -2.5702 | |
| 384 | G | B | -2.4916 | |
| 385 | N | B | -2.6832 | |
| 386 | R | B | -2.5369 | |
| 387 | Q | B | -2.1757 | |
| 388 | A | B | -0.9397 | |
| 389 | A | B | -0.3430 | |
| 390 | T | B | -0.4672 | |
| 391 | A | B | -0.9541 | |
| 392 | D | B | -1.9441 | |
| 393 | V | B | 0.0000 | |
| 394 | N | B | -0.8034 | |
| 395 | T | B | -0.3664 | |
| 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 | -0.4667 | |
| 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 | -0.8522 | |
| 419 | I | B | 0.0000 | |
| 420 | P | B | 0.0000 | |
| 421 | H | B | -1.1093 | |
| 422 | T | B | -0.6823 | |
| 423 | D | B | -0.8135 | |
| 424 | G | B | 0.0000 | |
| 425 | H | B | -0.5539 | |
| 426 | F | B | 0.0000 | |
| 427 | H | B | -0.4500 | |
| 428 | P | B | -0.4023 | |
| 429 | S | B | -0.3213 | |
| 430 | P | B | 0.0000 | |
| 431 | L | B | 0.0000 | |
| 432 | M | B | 0.0000 | |
| 433 | G | B | 0.0000 | |
| 434 | G | B | -0.1800 | |
| 435 | F | B | 0.0000 | |
| 436 | G | B | -0.6610 | |
| 437 | L | B | 0.0000 | |
| 438 | K | B | -1.8733 | |
| 439 | H | B | -1.9109 | |
| 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 | 0.0907 | |
| 450 | P | B | -0.0197 | |
| 451 | V | B | 0.2723 | |
| 452 | P | B | 0.0562 | |
| 453 | A | B | -0.3020 | |
| 454 | N | B | -1.3381 | |
| 455 | P | B | -0.6666 | |
| 456 | S | B | -0.2960 | |
| 457 | T | B | 0.0096 | |
| 458 | T | B | 0.6775 | |
| 459 | F | B | 1.7264 | |
| 460 | S | B | 0.5203 | |
| 461 | A | B | 0.1248 | |
| 462 | A | B | -0.3575 | |
| 463 | K | B | -1.3371 | |
| 464 | F | B | -0.1269 | |
| 465 | A | B | -0.1334 | |
| 466 | S | B | -0.2969 | |
| 467 | F | B | 0.2515 | |
| 468 | I | B | 0.6234 | |
| 469 | T | B | 0.1812 | |
| 470 | Q | B | 0.0000 | |
| 471 | Y | B | 0.2441 | |
| 472 | S | B | 0.0000 | |
| 473 | T | B | 0.0914 | |
| 474 | G | B | 0.0000 | |
| 475 | Q | B | -0.3861 | |
| 476 | V | B | 0.0000 | |
| 477 | S | B | -0.8351 | |
| 478 | V | B | 0.0000 | |
| 479 | E | B | -1.6891 | |
| 480 | I | B | 0.0000 | |
| 481 | E | B | 0.0000 | |
| 482 | W | B | 0.0000 | |
| 483 | E | B | -1.2826 | |
| 484 | L | B | 0.0000 | |
| 485 | Q | B | -1.6951 | |
| 486 | K | B | -2.2329 | |
| 487 | E | B | -2.1321 | |
| 488 | N | B | -2.1814 | |
| 489 | S | B | -1.2598 | |
| 490 | K | B | -0.5184 | |
| 491 | R | B | 0.0000 | |
| 492 | W | B | 0.8942 | |
| 493 | N | B | 0.0844 | |
| 494 | P | B | -0.2981 | |
| 495 | E | B | -0.2967 | |
| 496 | I | B | 0.1202 | |
| 497 | Q | B | -0.4386 | |
| 498 | Y | B | -0.4128 | |
| 499 | T | B | -0.3066 | |
| 500 | S | B | -0.6792 | |
| 501 | N | B | -1.2408 | |
| 502 | Y | B | -0.3522 | |
| 503 | N | B | -1.9146 | |
| 504 | K | B | -1.8877 | |
| 505 | S | B | -0.5626 | |
| 506 | V | B | 0.9427 | |
| 507 | N | B | 0.0271 | |
| 508 | V | B | 0.8946 | |
| 509 | D | B | -0.0748 | |
| 510 | F | B | 0.0879 | |
| 511 | T | B | 0.7496 | |
| 512 | V | B | 0.8838 | |
| 513 | D | B | -0.2204 | |
| 514 | T | B | -0.8549 | |
| 515 | N | B | -1.1928 | |
| 516 | G | B | -0.4561 | |
| 517 | V | B | 0.4938 | |
| 518 | Y | B | 0.6109 | |
| 519 | S | B | -0.0821 | |
| 520 | E | B | -0.7246 | |
| 521 | P | B | -0.8129 | |
| 522 | R | B | -0.9946 | |
| 523 | P | B | -0.5962 | |
| 524 | I | B | 0.0000 | |
| 525 | G | B | -0.2146 | |
| 526 | T | B | 0.0000 | |
| 527 | R | B | 0.0000 | |
| 528 | Y | B | 0.0736 | |
| 529 | L | B | 0.0000 | |
| 530 | T | B | 0.0000 | |
| 531 | R | B | -0.9125 | |
| 532 | N | B | -0.4573 | |
| 533 | L | B | 0.0000 | |
| 15 | G | C | -0.8093 | |
| 16 | A | C | -0.7555 | |
| 17 | D | C | -1.1908 | |
| 18 | G | C | -0.5321 | |
| 19 | V | C | 0.8524 | |
| 20 | G | C | -0.5156 | |
| 21 | N | C | -1.4469 | |
| 22 | S | C | -1.2457 | |
| 23 | S | C | -1.2092 | |
| 24 | G | C | -1.3046 | |
| 25 | N | C | -1.1730 | |
| 26 | W | C | -0.2252 | |
| 27 | H | C | -0.8955 | |
| 28 | C | C | -0.7010 | |
| 29 | D | C | -1.3007 | |
| 30 | S | C | -0.6061 | |
| 31 | T | C | -0.0974 | |
| 32 | W | C | -0.1577 | |
| 33 | M | C | -0.1223 | |
| 34 | G | C | -1.4001 | |
| 35 | D | C | -2.7097 | |
| 36 | R | C | -1.7968 | |
| 37 | V | C | 0.0000 | |
| 38 | I | C | -0.2956 | |
| 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 | 0.5560 | |
| 45 | W | C | 0.0000 | |
| 46 | A | C | 0.7416 | |
| 47 | L | C | 0.0000 | |
| 48 | P | C | 0.1228 | |
| 49 | T | C | -0.1739 | |
| 50 | Y | C | -0.0891 | |
| 51 | N | C | -0.4555 | |
| 52 | N | C | -0.9183 | |
| 53 | H | C | -0.0940 | |
| 54 | L | C | 0.6364 | |
| 55 | Y | C | 0.0454 | |
| 56 | K | C | -0.9650 | |
| 57 | Q | C | -1.2293 | |
| 58 | I | C | -0.6527 | |
| 59 | S | C | -0.8348 | |
| 60 | S | C | 0.0000 | |
| 61 | Q | C | -1.5280 | |
| 62 | S | C | -1.0971 | |
| 63 | G | C | -1.1615 | |
| 64 | A | C | -1.2152 | |
| 65 | S | C | -1.2687 | |
| 66 | N | C | -1.7566 | |
| 67 | D | C | -1.2356 | |
| 68 | N | C | -1.2025 | |
| 69 | H | C | -1.3485 | |
| 70 | Y | C | -0.6448 | |
| 71 | F | C | 0.0000 | |
| 72 | G | C | 0.0000 | |
| 73 | Y | C | -0.3617 | |
| 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 | -0.2672 | |
| 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 | -0.9844 | |
| 91 | P | C | -1.3337 | |
| 92 | R | C | -2.3269 | |
| 93 | D | C | 0.0000 | |
| 94 | W | C | 0.0000 | |
| 95 | Q | C | -1.8574 | |
| 96 | R | C | -2.1655 | |
| 97 | L | C | 0.0000 | |
| 98 | I | C | 0.0000 | |
| 99 | N | C | 0.0000 | |
| 100 | N | C | -1.9455 | |
| 101 | N | C | 0.0000 | |
| 102 | W | C | 0.0000 | |
| 103 | G | C | 0.0000 | |
| 104 | F | C | 0.0000 | |
| 105 | R | C | -0.8924 | |
| 106 | P | C | 0.0000 | |
| 107 | K | C | -1.7726 | |
| 108 | R | C | -2.0150 | |
| 109 | L | C | 0.0000 | |
| 110 | N | C | -1.3844 | |
| 111 | F | C | 0.0000 | |
| 112 | K | C | -1.2489 | |
| 113 | L | C | 0.0000 | |
| 114 | F | C | 0.0000 | |
| 115 | N | C | -1.1914 | |
| 116 | I | C | 0.0000 | |
| 117 | Q | C | -1.0130 | |
| 118 | V | C | 0.0000 | |
| 119 | K | C | -0.5152 | |
| 120 | E | C | -0.1011 | |
| 121 | V | C | 0.0939 | |
| 122 | T | C | -0.7971 | |
| 123 | Q | C | -2.1827 | |
| 124 | N | C | -2.9010 | |
| 125 | D | C | -2.9305 | |
| 126 | G | C | -2.0932 | |
| 127 | T | C | -1.6968 | |
| 128 | T | C | -0.8843 | |
| 129 | T | C | -0.0000 | |
| 130 | I | C | 0.8773 | |
| 131 | A | C | -0.0179 | |
| 132 | N | C | -1.0894 | |
| 133 | N | C | -0.6945 | |
| 134 | L | C | 0.2064 | |
| 135 | T | C | -0.2251 | |
| 136 | S | C | 0.0000 | |
| 137 | T | C | -0.3257 | |
| 138 | V | C | 0.0000 | |
| 139 | Q | C | -0.5028 | |
| 140 | V | C | 0.0000 | |
| 141 | F | C | 0.0000 | |
| 142 | T | C | -0.4301 | |
| 143 | D | C | 0.0000 | |
| 144 | S | C | -1.1683 | |
| 145 | E | C | -2.0127 | |
| 146 | Y | C | -1.0881 | |
| 147 | Q | C | -1.0668 | |
| 148 | L | C | 0.0000 | |
| 149 | P | C | 0.0000 | |
| 150 | Y | C | 0.0000 | |
| 151 | V | C | 0.0000 | |
| 152 | L | C | 0.0000 | |
| 153 | G | C | -0.1262 | |
| 154 | S | C | -0.0828 | |
| 155 | A | C | 0.0000 | |
| 156 | H | C | 0.0000 | |
| 157 | Q | C | -0.4991 | |
| 158 | G | C | -0.0586 | |
| 159 | C | C | -0.0050 | |
| 160 | L | C | 0.0000 | |
| 161 | P | C | 0.0000 | |
| 162 | P | C | 0.1676 | |
| 163 | F | C | 1.0811 | |
| 164 | P | C | 0.4438 | |
| 165 | A | C | 0.3752 | |
| 166 | D | C | 0.5920 | |
| 167 | V | C | 1.8461 | |
| 168 | F | C | 1.3958 | |
| 169 | M | C | 1.4701 | |
| 170 | V | C | 0.0000 | |
| 171 | P | C | 0.0000 | |
| 172 | Q | C | 0.1595 | |
| 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 | -1.3540 | |
| 181 | G | C | -1.3297 | |
| 182 | S | C | -1.3403 | |
| 183 | Q | C | -1.2905 | |
| 184 | A | C | -0.6264 | |
| 185 | V | C | -0.2465 | |
| 186 | G | C | -0.2670 | |
| 187 | R | C | -0.2399 | |
| 188 | S | C | 0.0000 | |
| 189 | S | C | 0.0000 | |
| 190 | F | C | 0.2256 | |
| 191 | Y | C | 0.0000 | |
| 192 | C | C | 0.3767 | |
| 193 | L | C | 0.0000 | |
| 194 | E | C | -0.5783 | |
| 195 | Y | C | 0.8390 | |
| 196 | F | C | 0.1791 | |
| 197 | P | C | -0.3194 | |
| 198 | S | C | -0.5936 | |
| 199 | Q | C | -1.0309 | |
| 200 | M | C | -0.0611 | |
| 201 | L | C | 0.0000 | |
| 202 | R | C | -1.0908 | |
| 203 | T | C | -0.7037 | |
| 204 | G | C | -0.9361 | |
| 205 | N | C | -1.1381 | |
| 206 | N | C | -1.1652 | |
| 207 | F | C | -0.4882 | |
| 208 | T | C | -0.5309 | |
| 209 | F | C | -0.2560 | |
| 210 | S | C | -0.7868 | |
| 211 | Y | C | -0.7927 | |
| 212 | T | C | -1.3292 | |
| 213 | F | C | 0.0000 | |
| 214 | E | C | -2.0531 | |
| 215 | D | C | -2.1033 | |
| 216 | V | C | 0.0000 | |
| 217 | P | C | -0.6087 | |
| 218 | F | C | -0.2091 | |
| 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 | 0.1927 | |
| 232 | M | C | 0.0000 | |
| 233 | N | C | 0.0000 | |
| 234 | P | C | 0.0000 | |
| 235 | L | C | 0.5770 | |
| 236 | I | C | 0.1927 | |
| 237 | D | C | -0.4545 | |
| 238 | Q | C | 0.0000 | |
| 239 | Y | C | 0.0000 | |
| 240 | L | C | 0.0000 | |
| 241 | Y | C | 0.0000 | |
| 242 | Y | C | -0.1039 | |
| 243 | L | C | 0.0000 | |
| 244 | S | C | -0.6603 | |
| 245 | R | C | -1.2660 | |
| 246 | T | C | 0.0000 | |
| 247 | N | C | 0.0000 | |
| 248 | T | C | -1.2001 | |
| 249 | P | C | -0.7488 | |
| 250 | S | C | -0.6987 | |
| 251 | G | C | -0.7173 | |
| 252 | T | C | -0.4061 | |
| 253 | T | C | -0.6343 | |
| 254 | T | C | -1.1462 | |
| 255 | Q | C | -1.5375 | |
| 256 | S | C | -1.7624 | |
| 257 | R | C | -1.7654 | |
| 258 | L | C | 0.0000 | |
| 259 | Q | C | -1.1740 | |
| 260 | F | C | 0.0000 | |
| 261 | S | C | 0.0000 | |
| 262 | Q | C | -1.0222 | |
| 263 | A | C | 0.0000 | |
| 264 | G | C | 0.0000 | |
| 265 | A | C | -0.1934 | |
| 266 | S | C | -0.6753 | |
| 267 | D | C | -0.6141 | |
| 268 | I | C | 0.0000 | |
| 269 | R | C | -0.8123 | |
| 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 | -0.3190 | |
| 286 | V | C | 0.0000 | |
| 287 | S | C | 0.0000 | |
| 288 | K | C | -1.8977 | |
| 289 | T | C | -1.0274 | |
| 290 | S | C | -1.2247 | |
| 291 | A | C | -1.0505 | |
| 292 | D | C | -1.5810 | |
| 293 | N | C | 0.0000 | |
| 294 | N | C | -2.5044 | |
| 295 | N | C | -2.5045 | |
| 296 | S | C | -1.5676 | |
| 297 | E | C | -1.4752 | |
| 298 | Y | C | 0.0000 | |
| 299 | S | C | 0.0000 | |
| 300 | W | C | -0.0336 | |
| 301 | T | C | -0.1112 | |
| 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 | 0.0000 | |
| 308 | L | C | 0.0000 | |
| 309 | N | C | 0.0000 | |
| 310 | G | C | -0.6509 | |
| 311 | R | C | 0.0000 | |
| 312 | D | C | -0.7289 | |
| 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 | -0.0797 | |
| 321 | M | C | 0.0000 | |
| 322 | A | C | 0.0000 | |
| 323 | S | C | 0.0000 | |
| 324 | H | C | 0.0000 | |
| 325 | K | C | -1.5670 | |
| 326 | D | C | -2.0697 | |
| 327 | D | C | -3.0084 | |
| 328 | E | C | -2.7424 | |
| 329 | E | C | -3.4559 | |
| 330 | K | C | -2.7323 | |
| 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 | -1.7376 | |
| 342 | K | C | -2.4347 | |
| 343 | Q | C | -1.8175 | |
| 344 | G | C | -1.6814 | |
| 345 | S | C | -2.3307 | |
| 346 | E | C | -2.7196 | |
| 347 | K | C | -2.1116 | |
| 348 | T | C | -1.4595 | |
| 349 | N | C | -1.4325 | |
| 350 | V | C | 0.0000 | |
| 351 | D | C | -1.6198 | |
| 352 | I | C | -1.3562 | |
| 353 | E | C | -2.3564 | |
| 354 | K | C | -2.4077 | |
| 355 | V | C | 0.0000 | |
| 356 | M | C | 0.0000 | |
| 357 | I | C | -0.2932 | |
| 358 | T | C | 0.0000 | |
| 359 | D | C | -1.0462 | |
| 360 | E | C | 0.0000 | |
| 361 | E | C | -1.0683 | |
| 362 | E | C | -0.5543 | |
| 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 | -0.6544 | |
| 373 | Q | C | -0.9761 | |
| 374 | Y | C | 0.0000 | |
| 375 | G | C | 0.0000 | |
| 376 | S | C | -0.8753 | |
| 377 | V | C | 0.0000 | |
| 378 | S | C | 0.0000 | |
| 379 | T | C | -0.6190 | |
| 380 | N | C | -0.7431 | |
| 381 | L | C | -0.5515 | |
| 382 | Q | C | 0.0000 | |
| 383 | R | C | -2.7565 | |
| 384 | G | C | -2.7328 | |
| 385 | N | C | -3.1418 | |
| 386 | R | C | -3.5461 | |
| 387 | Q | C | -2.9416 | |
| 388 | A | C | -1.3000 | |
| 389 | A | C | -0.5645 | |
| 390 | T | C | -0.4829 | |
| 391 | A | C | -0.9541 | |
| 392 | D | C | -1.9233 | |
| 393 | V | C | 0.0000 | |
| 394 | N | C | -0.7883 | |
| 395 | T | C | -0.3588 | |
| 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 | -0.4530 | |
| 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 | -1.0345 | |
| 419 | I | C | 0.0000 | |
| 420 | P | C | 0.0000 | |
| 421 | H | C | -1.2957 | |
| 422 | T | C | -0.7403 | |
| 423 | D | C | -0.8480 | |
| 424 | G | C | 0.0000 | |
| 425 | H | C | -0.7648 | |
| 426 | F | C | 0.0000 | |
| 427 | H | C | -0.4967 | |
| 428 | P | C | -0.5295 | |
| 429 | S | C | -0.3219 | |
| 430 | P | C | 0.0000 | |
| 431 | L | C | 0.0000 | |
| 432 | M | C | 0.0000 | |
| 433 | G | C | 0.0000 | |
| 434 | G | C | -0.1568 | |
| 435 | F | C | 0.0000 | |
| 436 | G | C | -0.7625 | |
| 437 | L | C | 0.0000 | |
| 438 | K | C | -2.4481 | |
| 439 | H | C | -2.1830 | |
| 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 | 0.1168 | |
| 450 | P | C | -0.0391 | |
| 451 | V | C | 0.2505 | |
| 452 | P | C | 0.0509 | |
| 453 | A | C | -0.3116 | |
| 454 | N | C | -1.3438 | |
| 455 | P | C | -0.6597 | |
| 456 | S | C | -0.2985 | |
| 457 | T | C | 0.0075 | |
| 458 | T | C | 0.6772 | |
| 459 | F | C | 1.7268 | |
| 460 | S | C | 0.5289 | |
| 461 | A | C | 0.1333 | |
| 462 | A | C | -0.3425 | |
| 463 | K | C | -1.3119 | |
| 464 | F | C | -0.0766 | |
| 465 | A | C | -0.1160 | |
| 466 | S | C | -0.2959 | |
| 467 | F | C | 0.2395 | |
| 468 | I | C | 0.5706 | |
| 469 | T | C | 0.1409 | |
| 470 | Q | C | 0.0000 | |
| 471 | Y | C | 0.2277 | |
| 472 | S | C | 0.0000 | |
| 473 | T | C | 0.1017 | |
| 474 | G | C | 0.0000 | |
| 475 | Q | C | -0.3759 | |
| 476 | V | C | 0.0000 | |
| 477 | S | C | -0.7454 | |
| 478 | V | C | 0.0000 | |
| 479 | E | C | -1.2555 | |
| 480 | I | C | 0.0000 | |
| 481 | E | C | 0.0000 | |
| 482 | W | C | 0.0000 | |
| 483 | E | C | -1.6017 | |
| 484 | L | C | 0.0000 | |
| 485 | Q | C | -2.3030 | |
| 486 | K | C | -3.2131 | |
| 487 | E | C | -2.2815 | |
| 488 | N | C | -2.3024 | |
| 489 | S | C | -1.3566 | |
| 490 | K | C | -0.6759 | |
| 491 | R | C | 0.0000 | |
| 492 | W | C | 0.8539 | |
| 493 | N | C | 0.0453 | |
| 494 | P | C | -0.3075 | |
| 495 | E | C | -0.3112 | |
| 496 | I | C | 0.0811 | |
| 497 | Q | C | -0.5059 | |
| 498 | Y | C | -0.4429 | |
| 499 | T | C | -0.3249 | |
| 500 | S | C | -0.6934 | |
| 501 | N | C | -1.2377 | |
| 502 | Y | C | -0.3520 | |
| 503 | N | C | -1.9150 | |
| 504 | K | C | -1.8876 | |
| 505 | S | C | -0.5600 | |
| 506 | V | C | 0.9358 | |
| 507 | N | C | 0.0143 | |
| 508 | V | C | 0.8885 | |
| 509 | D | C | -0.0677 | |
| 510 | F | C | 0.0773 | |
| 511 | T | C | 0.7348 | |
| 512 | V | C | 0.8382 | |
| 513 | D | C | -0.2901 | |
| 514 | T | C | -0.8898 | |
| 515 | N | C | -1.2235 | |
| 516 | G | C | -0.4990 | |
| 517 | V | C | 0.4387 | |
| 518 | Y | C | 0.5803 | |
| 519 | S | C | -0.0941 | |
| 520 | E | C | -0.7089 | |
| 521 | P | C | -0.7905 | |
| 522 | R | C | -0.9521 | |
| 523 | P | C | -0.5754 | |
| 524 | I | C | 0.0000 | |
| 525 | G | C | -0.2080 | |
| 526 | T | C | 0.0000 | |
| 527 | R | C | 0.0000 | |
| 528 | Y | C | 0.0419 | |
| 529 | L | C | 0.0000 | |
| 530 | T | C | 0.0000 | |
| 531 | R | C | -0.8623 | |
| 532 | N | C | -0.4073 | |
| 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 | -0.2752 | 4.0369 | View | CSV | PDB |
| 4.5 | -0.3064 | 4.0369 | View | CSV | PDB |
| 5.0 | -0.3425 | 4.0369 | View | CSV | PDB |
| 5.5 | -0.3781 | 4.0369 | View | CSV | PDB |
| 6.0 | -0.4073 | 4.0369 | View | CSV | PDB |
| 6.5 | -0.426 | 4.0369 | View | CSV | PDB |
| 7.0 | -0.4342 | 4.0369 | View | CSV | PDB |
| 7.5 | -0.4358 | 4.0369 | View | CSV | PDB |
| 8.0 | -0.4334 | 4.0369 | View | CSV | PDB |
| 8.5 | -0.427 | 4.0369 | View | CSV | PDB |
| 9.0 | -0.4154 | 4.0369 | 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