| Chain sequence(s) |
B: GVAFKELFRFADGLDYVLMGIGSVGAFVHGCSLPLFLRFFADLVNSFGSNSNNVEKMMEEVLKYALYFLVVGAAIWASSWAEISCWMWSGERQTTKMRIKYLEAALNQDIQFFDTEVRTSDVVFAINTDAVMVQDAISEKLGNFIHYMATFVSGFIVGFTAVWQLALVTLAVVPLIAVIGGIHTTTLSKLSNKSQESLSQAGNIVEQTVVQIRVVMAFVGESRASQAYSSALKIAQKLGYKTGLAKGMGLGATYFVVFCCYALLLWYGGYLVRHHLTNGGLAIATMFAVMIGGLALGQSAPSMAAFAKAKVAAAKIFRIIDHKPTIERNSESGVELDSVTGLVELKNVDFSYPSRPDVKILNNFCLSVPAGKTIALVGSSGSGKSTVVSLIERFYDPNSGQVLLDGQDLKTLKLRWLRQQIGLVSQEPALFATSIKENILLGRPDADQVEIEEAARVANAHSFIIKLPDGFDTQVGERGLQLSGGQKQRIAIARAMLKNPAILLLDEATSALDSESEKLVQEALDRFMIGRTTLIIAHRLSTIRKADLVAVLQQGSVSEIGTHDELFSKGENGVYAKLIKMQEAAHETAMKLAFKDQANSFWRLAKMNSPEWKYALLGSVGSVICGSLSAFFAYVLSAVLSVYYNPDHEYMIKQIDKYCYLLIGLSSAALVFNTLQHSFWDIVGENLTKRVREKMLSAVLKNEMAWFDQEENESARIAARLALDANNVRSAIGDRISVIVQNTALMLVACTAGFVLQWRLALVLVAVFPVVVAATVLQKMFMTGFSGDLEAAHAKGTQLAGEAIANVRTVAAFNSEAKIVRLYTANLEPPLKRCFWKGQIAGSGYGVAQFCLYASYALGLWYASWLVKHGISDFSKTIRVFMVLMVSANGAAETLTLAPDFIKGGQAMRSVFELLDRKTEIEPDDPDTTPVPDRLRGEVELKHIDFSYPSRPDIQIFRDLSLRARAGKTLALVGPSGCGKSSVISLIQRFYEPSSGRVMIDGKDIRKYNLKAIRKHIAIVPQEPCLFGTTIYENIAYGHECATEAEIIQAATLASAHKFISALPEGYKTYVGERGVQLSGGQKQRIAIARALVRKAEIMLLDEATSALDAESERSVQEALDQACSGRTSIVVAHRLSTIRNAHVIAVIDDGKVAEQGSHSHLLKNHPDGIYARMIQLQ
input PDB |
| Selected Chain(s) | B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:12)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:12)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with B chain(s) selected (00:00:12)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:12)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:18)
[INFO] FoldX: Starting FoldX energy minimization (00:00:18)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:21:34)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/4439c0028ccf902/tmp/folded.pdb (00:21:34)
[INFO] Main: Simulation completed successfully. (00:27:32)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 26 | G | B | 0.4851 | |
| 27 | V | B | 0.4076 | |
| 28 | A | B | 0.0933 | |
| 29 | F | B | -0.4203 | |
| 30 | K | B | -1.7332 | |
| 31 | E | B | -1.4024 | |
| 32 | L | B | 0.0000 | |
| 33 | F | B | -0.5540 | |
| 34 | R | B | -1.1134 | |
| 35 | F | B | -0.8878 | |
| 36 | A | B | -0.4403 | |
| 37 | D | B | -0.7247 | |
| 38 | G | B | 0.3102 | |
| 39 | L | B | 1.6729 | |
| 40 | D | B | 0.0000 | |
| 41 | Y | B | 2.2646 | |
| 42 | V | B | 2.6594 | |
| 43 | L | B | 1.8629 | |
| 44 | M | B | 1.7218 | |
| 45 | G | B | 1.5370 | |
| 46 | I | B | 1.9628 | |
| 47 | G | B | 0.0000 | |
| 48 | S | B | 1.7112 | |
| 49 | V | B | 2.5750 | |
| 50 | G | B | 0.0000 | |
| 51 | A | B | 0.0000 | |
| 52 | F | B | 2.3406 | |
| 53 | V | B | 2.0935 | |
| 54 | H | B | 1.4039 | |
| 55 | G | B | 0.0000 | |
| 56 | C | B | 1.2850 | |
| 57 | S | B | 0.9458 | |
| 58 | L | B | 0.9769 | |
| 59 | P | B | 0.0000 | |
| 60 | L | B | 0.9647 | |
| 61 | F | B | 0.0000 | |
| 62 | L | B | 0.5886 | |
| 63 | R | B | 0.0400 | |
| 64 | F | B | 0.3590 | |
| 65 | F | B | 0.2802 | |
| 66 | A | B | 0.0000 | |
| 67 | D | B | -0.8744 | |
| 68 | L | B | 0.0000 | |
| 69 | V | B | 0.0000 | |
| 70 | N | B | -0.7111 | |
| 71 | S | B | -0.9615 | |
| 72 | F | B | 0.0000 | |
| 73 | G | B | -0.7409 | |
| 74 | S | B | -0.9329 | |
| 75 | N | B | -1.4203 | |
| 76 | S | B | -1.4310 | |
| 77 | N | B | -1.8676 | |
| 78 | N | B | -1.7913 | |
| 79 | V | B | -1.5942 | |
| 80 | E | B | -2.8966 | |
| 81 | K | B | -2.8458 | |
| 82 | M | B | 0.0000 | |
| 83 | M | B | -1.5838 | |
| 84 | E | B | -2.9362 | |
| 85 | E | B | -2.4771 | |
| 86 | V | B | 0.0000 | |
| 87 | L | B | -0.0874 | |
| 88 | K | B | -1.0135 | |
| 89 | Y | B | 0.0841 | |
| 90 | A | B | 0.0000 | |
| 91 | L | B | 2.0330 | |
| 92 | Y | B | 2.1748 | |
| 93 | F | B | 0.0000 | |
| 94 | L | B | 2.2769 | |
| 95 | V | B | 2.8114 | |
| 96 | V | B | 0.0000 | |
| 97 | G | B | 0.0000 | |
| 98 | A | B | 1.6827 | |
| 99 | A | B | 1.1729 | |
| 100 | I | B | 0.0000 | |
| 101 | W | B | 1.9024 | |
| 102 | A | B | 1.0911 | |
| 103 | S | B | 0.0000 | |
| 104 | S | B | 0.0000 | |
| 105 | W | B | 1.2907 | |
| 106 | A | B | 0.0000 | |
| 107 | E | B | 0.0000 | |
| 108 | I | B | 0.0000 | |
| 109 | S | B | 0.0000 | |
| 110 | C | B | 0.5936 | |
| 111 | W | B | 0.0000 | |
| 112 | M | B | 0.0000 | |
| 113 | W | B | 0.0000 | |
| 114 | S | B | 0.0000 | |
| 115 | G | B | 0.0000 | |
| 116 | E | B | 0.0000 | |
| 117 | R | B | -0.5636 | |
| 118 | Q | B | 0.0000 | |
| 119 | T | B | 0.0000 | |
| 120 | T | B | 0.0000 | |
| 121 | K | B | -1.5236 | |
| 122 | M | B | 0.0000 | |
| 123 | R | B | 0.0000 | |
| 124 | I | B | -1.2180 | |
| 125 | K | B | -1.6828 | |
| 126 | Y | B | 0.0000 | |
| 127 | L | B | 0.0000 | |
| 128 | E | B | -2.0973 | |
| 129 | A | B | -1.3643 | |
| 130 | A | B | 0.0000 | |
| 131 | L | B | 0.0000 | |
| 132 | N | B | -1.0650 | |
| 133 | Q | B | -1.3297 | |
| 134 | D | B | -1.1599 | |
| 135 | I | B | -0.3821 | |
| 136 | Q | B | -0.8992 | |
| 137 | F | B | 0.0000 | |
| 138 | F | B | 0.0000 | |
| 139 | D | B | -1.8204 | |
| 140 | T | B | -1.9928 | |
| 141 | E | B | -2.5122 | |
| 142 | V | B | 0.0000 | |
| 143 | R | B | -2.8924 | |
| 144 | T | B | -1.3908 | |
| 145 | S | B | -0.8655 | |
| 146 | D | B | -1.2124 | |
| 147 | V | B | 0.0000 | |
| 148 | V | B | 0.2191 | |
| 149 | F | B | 1.2905 | |
| 150 | A | B | 0.0000 | |
| 151 | I | B | 0.0000 | |
| 152 | N | B | -0.4055 | |
| 153 | T | B | -0.2349 | |
| 154 | D | B | -0.0692 | |
| 155 | A | B | 0.0000 | |
| 156 | V | B | -0.2950 | |
| 157 | M | B | -0.4210 | |
| 158 | V | B | 0.0000 | |
| 159 | Q | B | 0.0000 | |
| 160 | D | B | -0.4068 | |
| 161 | A | B | 0.0000 | |
| 162 | I | B | 0.0000 | |
| 163 | S | B | 0.0000 | |
| 164 | E | B | -0.4938 | |
| 165 | K | B | -0.3250 | |
| 166 | L | B | 0.1106 | |
| 167 | G | B | 0.0000 | |
| 168 | N | B | 0.2756 | |
| 169 | F | B | 0.8661 | |
| 170 | I | B | 1.2310 | |
| 171 | H | B | 1.0857 | |
| 172 | Y | B | 1.0616 | |
| 173 | M | B | 1.3033 | |
| 174 | A | B | 0.0000 | |
| 175 | T | B | 0.0000 | |
| 176 | F | B | 1.7382 | |
| 177 | V | B | 1.7257 | |
| 178 | S | B | 0.0000 | |
| 179 | G | B | 0.0000 | |
| 180 | F | B | 2.1018 | |
| 181 | I | B | 2.7997 | |
| 182 | V | B | 1.7270 | |
| 183 | G | B | 0.0000 | |
| 184 | F | B | 1.7732 | |
| 185 | T | B | 1.1673 | |
| 186 | A | B | 0.5013 | |
| 187 | V | B | 0.0000 | |
| 188 | W | B | 1.3884 | |
| 189 | Q | B | 0.1971 | |
| 190 | L | B | 0.0000 | |
| 191 | A | B | 0.0000 | |
| 192 | L | B | 1.0466 | |
| 193 | V | B | 0.9727 | |
| 194 | T | B | 0.0000 | |
| 195 | L | B | 1.1135 | |
| 196 | A | B | 0.9606 | |
| 197 | V | B | 1.3044 | |
| 198 | V | B | 1.3917 | |
| 199 | P | B | 1.3012 | |
| 200 | L | B | 2.3696 | |
| 201 | I | B | 1.8919 | |
| 202 | A | B | 1.6987 | |
| 203 | V | B | 2.5446 | |
| 204 | I | B | 1.9864 | |
| 205 | G | B | 1.1512 | |
| 206 | G | B | 1.0703 | |
| 207 | I | B | 1.9284 | |
| 208 | H | B | 0.8079 | |
| 209 | T | B | 0.0575 | |
| 210 | T | B | -0.1366 | |
| 211 | T | B | -0.1915 | |
| 212 | L | B | -0.5900 | |
| 213 | S | B | -1.4587 | |
| 214 | K | B | -2.3772 | |
| 215 | L | B | -2.2222 | |
| 216 | S | B | -1.9698 | |
| 217 | N | B | -3.1812 | |
| 218 | K | B | -3.2601 | |
| 219 | S | B | -2.5918 | |
| 220 | Q | B | -2.9852 | |
| 221 | E | B | -3.4067 | |
| 222 | S | B | -2.0014 | |
| 223 | L | B | -1.3398 | |
| 224 | S | B | -1.5932 | |
| 225 | Q | B | -1.8970 | |
| 226 | A | B | 0.0000 | |
| 227 | G | B | -0.9258 | |
| 228 | N | B | -0.9652 | |
| 229 | I | B | -0.3646 | |
| 230 | V | B | 0.0000 | |
| 231 | E | B | -0.9017 | |
| 232 | Q | B | -0.1012 | |
| 233 | T | B | 0.0000 | |
| 234 | V | B | 0.0000 | |
| 235 | V | B | 0.9519 | |
| 236 | Q | B | 0.2788 | |
| 237 | I | B | 0.0000 | |
| 238 | R | B | -0.7350 | |
| 239 | V | B | 0.0000 | |
| 240 | V | B | 0.0000 | |
| 241 | M | B | -0.2344 | |
| 242 | A | B | 0.0000 | |
| 243 | F | B | 0.0000 | |
| 244 | V | B | -0.3545 | |
| 245 | G | B | -0.4832 | |
| 246 | E | B | 0.0000 | |
| 247 | S | B | -0.9844 | |
| 248 | R | B | -1.4157 | |
| 249 | A | B | -0.8751 | |
| 250 | S | B | -1.1903 | |
| 251 | Q | B | -1.6504 | |
| 252 | A | B | -0.8356 | |
| 253 | Y | B | 0.0000 | |
| 254 | S | B | -1.0371 | |
| 255 | S | B | -0.8088 | |
| 256 | A | B | -0.5826 | |
| 257 | L | B | 0.0000 | |
| 258 | K | B | -1.8263 | |
| 259 | I | B | -0.3830 | |
| 260 | A | B | 0.0000 | |
| 261 | Q | B | -1.3970 | |
| 262 | K | B | -2.0229 | |
| 263 | L | B | -1.3049 | |
| 264 | G | B | 0.0000 | |
| 265 | Y | B | -0.6057 | |
| 266 | K | B | -1.5646 | |
| 267 | T | B | -1.1129 | |
| 268 | G | B | 0.0000 | |
| 269 | L | B | 0.2138 | |
| 270 | A | B | 0.0573 | |
| 271 | K | B | -0.2113 | |
| 272 | G | B | 0.0000 | |
| 273 | M | B | 1.3989 | |
| 274 | G | B | 0.0000 | |
| 275 | L | B | 0.8929 | |
| 276 | G | B | 0.0000 | |
| 277 | A | B | 1.3523 | |
| 278 | T | B | 1.3577 | |
| 279 | Y | B | 1.4497 | |
| 280 | F | B | 2.0070 | |
| 281 | V | B | 1.6845 | |
| 282 | V | B | 1.2740 | |
| 283 | F | B | 0.0000 | |
| 284 | C | B | 1.4180 | |
| 285 | C | B | 0.0000 | |
| 286 | Y | B | 0.9330 | |
| 287 | A | B | 1.3837 | |
| 288 | L | B | 1.3449 | |
| 289 | L | B | 0.0000 | |
| 290 | L | B | 0.0000 | |
| 291 | W | B | 1.1902 | |
| 292 | Y | B | 0.9603 | |
| 293 | G | B | 0.0000 | |
| 294 | G | B | 0.0000 | |
| 295 | Y | B | 0.5746 | |
| 296 | L | B | 0.0000 | |
| 297 | V | B | -0.4690 | |
| 298 | R | B | -1.7524 | |
| 299 | H | B | -1.2290 | |
| 300 | H | B | -1.0283 | |
| 301 | L | B | 0.4071 | |
| 302 | T | B | -0.3646 | |
| 303 | N | B | -1.2260 | |
| 304 | G | B | 0.0000 | |
| 305 | G | B | 0.0000 | |
| 306 | L | B | -0.3823 | |
| 307 | A | B | 0.0000 | |
| 308 | I | B | 0.0000 | |
| 309 | A | B | 0.0000 | |
| 310 | T | B | 0.0000 | |
| 311 | M | B | 0.0000 | |
| 312 | F | B | 0.8261 | |
| 313 | A | B | 0.0000 | |
| 314 | V | B | 0.0000 | |
| 315 | M | B | 0.0000 | |
| 316 | I | B | 1.3897 | |
| 317 | G | B | 0.0000 | |
| 318 | G | B | 1.2428 | |
| 319 | L | B | 1.5622 | |
| 320 | A | B | 0.0000 | |
| 321 | L | B | 1.4813 | |
| 322 | G | B | 0.1555 | |
| 323 | Q | B | 0.1101 | |
| 324 | S | B | 0.4771 | |
| 325 | A | B | 0.2601 | |
| 326 | P | B | -0.1560 | |
| 327 | S | B | 0.0000 | |
| 328 | M | B | 0.6882 | |
| 329 | A | B | -0.0196 | |
| 330 | A | B | 0.0000 | |
| 331 | F | B | 0.0000 | |
| 332 | A | B | -0.2614 | |
| 333 | K | B | -1.2203 | |
| 334 | A | B | 0.0000 | |
| 335 | K | B | -0.0143 | |
| 336 | V | B | 0.9321 | |
| 337 | A | B | 0.1014 | |
| 338 | A | B | 0.0000 | |
| 339 | A | B | -0.3750 | |
| 340 | K | B | -1.2123 | |
| 341 | I | B | 0.0000 | |
| 342 | F | B | 0.0000 | |
| 343 | R | B | -2.7560 | |
| 344 | I | B | 0.0000 | |
| 345 | I | B | -2.0139 | |
| 346 | D | B | -2.8596 | |
| 347 | H | B | -2.4591 | |
| 348 | K | B | -2.7669 | |
| 349 | P | B | -2.1312 | |
| 350 | T | B | -1.5785 | |
| 351 | I | B | -1.8111 | |
| 352 | E | B | -3.0235 | |
| 353 | R | B | -2.8107 | |
| 354 | N | B | -2.4225 | |
| 355 | S | B | -2.4197 | |
| 356 | E | B | -2.4373 | |
| 357 | S | B | -1.1724 | |
| 358 | G | B | -1.1357 | |
| 359 | V | B | -0.1002 | |
| 360 | E | B | -1.4700 | |
| 361 | L | B | -1.3393 | |
| 362 | D | B | -2.0433 | |
| 363 | S | B | -1.1808 | |
| 364 | V | B | -0.5766 | |
| 365 | T | B | -0.2936 | |
| 366 | G | B | 0.0000 | |
| 367 | L | B | -0.0423 | |
| 368 | V | B | -0.2256 | |
| 369 | E | B | -0.6716 | |
| 370 | L | B | 0.0000 | |
| 371 | K | B | -1.9875 | |
| 372 | N | B | -2.6805 | |
| 373 | V | B | 0.0000 | |
| 374 | D | B | -2.6772 | |
| 375 | F | B | 0.0000 | |
| 376 | S | B | -1.4482 | |
| 377 | Y | B | -0.8052 | |
| 378 | P | B | -1.1442 | |
| 379 | S | B | -1.5831 | |
| 380 | R | B | -2.3500 | |
| 381 | P | B | -1.8543 | |
| 382 | D | B | -2.1725 | |
| 383 | V | B | -0.6995 | |
| 384 | K | B | -1.9665 | |
| 385 | I | B | -0.8554 | |
| 386 | L | B | 0.0000 | |
| 387 | N | B | -2.7825 | |
| 388 | N | B | -2.6149 | |
| 389 | F | B | 0.0000 | |
| 390 | C | B | -0.8646 | |
| 391 | L | B | 0.0000 | |
| 392 | S | B | -0.1836 | |
| 393 | V | B | 0.0000 | |
| 394 | P | B | -0.3294 | |
| 395 | A | B | -0.3689 | |
| 396 | G | B | -0.5262 | |
| 397 | K | B | -0.9933 | |
| 398 | T | B | -0.7035 | |
| 399 | I | B | 0.0000 | |
| 400 | A | B | 0.0000 | |
| 401 | L | B | 0.0000 | |
| 402 | V | B | 0.0000 | |
| 403 | G | B | -0.5749 | |
| 404 | S | B | -0.5266 | |
| 405 | S | B | -0.7736 | |
| 406 | G | B | -0.9877 | |
| 407 | S | B | -1.0903 | |
| 408 | G | B | -0.9966 | |
| 409 | K | B | -0.8272 | |
| 410 | S | B | -0.5040 | |
| 411 | T | B | 0.0000 | |
| 412 | V | B | 0.0000 | |
| 413 | V | B | 0.0000 | |
| 414 | S | B | -0.4177 | |
| 415 | L | B | 0.0000 | |
| 416 | I | B | 0.0000 | |
| 417 | E | B | 0.0000 | |
| 418 | R | B | -1.2574 | |
| 419 | F | B | 0.0000 | |
| 420 | Y | B | -1.2402 | |
| 421 | D | B | -2.6875 | |
| 422 | P | B | -1.9966 | |
| 423 | N | B | -2.0127 | |
| 424 | S | B | -1.9471 | |
| 425 | G | B | -1.9607 | |
| 426 | Q | B | -2.2905 | |
| 427 | V | B | 0.0000 | |
| 428 | L | B | -1.1688 | |
| 429 | L | B | 0.0000 | |
| 430 | D | B | -1.2934 | |
| 431 | G | B | -1.3011 | |
| 432 | Q | B | -1.6223 | |
| 433 | D | B | -1.7722 | |
| 434 | L | B | 0.0000 | |
| 435 | K | B | -2.4594 | |
| 436 | T | B | -1.5198 | |
| 437 | L | B | 0.0000 | |
| 438 | K | B | -1.7739 | |
| 439 | L | B | -1.6945 | |
| 440 | R | B | -1.6001 | |
| 441 | W | B | -1.0394 | |
| 442 | L | B | 0.0000 | |
| 443 | R | B | -0.8784 | |
| 444 | Q | B | -1.2427 | |
| 445 | Q | B | -0.8244 | |
| 446 | I | B | 0.0000 | |
| 447 | G | B | 0.0000 | |
| 448 | L | B | 0.0011 | |
| 449 | V | B | 0.0000 | |
| 450 | S | B | -1.2524 | |
| 451 | Q | B | -1.9862 | |
| 452 | E | B | -2.5247 | |
| 453 | P | B | -1.4824 | |
| 454 | A | B | 0.0000 | |
| 455 | L | B | -0.4053 | |
| 456 | F | B | 0.0000 | |
| 457 | A | B | -1.3969 | |
| 458 | T | B | -1.0474 | |
| 459 | S | B | -1.4674 | |
| 460 | I | B | 0.0000 | |
| 461 | K | B | -1.7633 | |
| 462 | E | B | -1.1195 | |
| 463 | N | B | 0.0000 | |
| 464 | I | B | 0.0000 | |
| 465 | L | B | -1.0288 | |
| 466 | L | B | 0.0000 | |
| 467 | G | B | 0.0000 | |
| 468 | R | B | -1.3210 | |
| 469 | P | B | -1.6327 | |
| 470 | D | B | -2.5090 | |
| 471 | A | B | -2.0626 | |
| 472 | D | B | -2.5591 | |
| 473 | Q | B | -1.9307 | |
| 474 | V | B | -0.4377 | |
| 475 | E | B | -2.1440 | |
| 476 | I | B | 0.0000 | |
| 477 | E | B | -2.3105 | |
| 478 | E | B | -2.6183 | |
| 479 | A | B | -1.6730 | |
| 480 | A | B | 0.0000 | |
| 481 | R | B | -2.5845 | |
| 482 | V | B | -1.3100 | |
| 483 | A | B | 0.0000 | |
| 484 | N | B | -1.0630 | |
| 485 | A | B | 0.0000 | |
| 486 | H | B | -1.0535 | |
| 487 | S | B | -0.4258 | |
| 488 | F | B | -0.0397 | |
| 489 | I | B | 0.0000 | |
| 490 | I | B | 0.9438 | |
| 491 | K | B | -0.9178 | |
| 492 | L | B | -0.7937 | |
| 493 | P | B | -1.3164 | |
| 494 | D | B | -2.4107 | |
| 495 | G | B | -1.1537 | |
| 496 | F | B | -1.4974 | |
| 497 | D | B | -2.8396 | |
| 498 | T | B | 0.0000 | |
| 499 | Q | B | -2.6881 | |
| 500 | V | B | 0.0000 | |
| 501 | G | B | -2.0009 | |
| 502 | E | B | -3.1170 | |
| 503 | R | B | -2.8822 | |
| 504 | G | B | 0.0000 | |
| 505 | L | B | -0.0663 | |
| 506 | Q | B | -1.2486 | |
| 507 | L | B | -0.4461 | |
| 508 | S | B | -0.6092 | |
| 509 | G | B | -1.2647 | |
| 510 | G | B | -1.0441 | |
| 511 | Q | B | -0.7572 | |
| 512 | K | B | -1.3203 | |
| 513 | Q | B | -0.9827 | |
| 514 | R | B | 0.0000 | |
| 515 | I | B | 0.0000 | |
| 516 | A | B | -0.4124 | |
| 517 | I | B | 0.0000 | |
| 518 | A | B | 0.0000 | |
| 519 | R | B | 0.0000 | |
| 520 | A | B | 0.0000 | |
| 521 | M | B | 0.0000 | |
| 522 | L | B | 0.0000 | |
| 523 | K | B | 0.0000 | |
| 524 | N | B | -1.4586 | |
| 525 | P | B | 0.0000 | |
| 526 | A | B | -0.4673 | |
| 527 | I | B | 0.0000 | |
| 528 | L | B | 0.0000 | |
| 529 | L | B | 0.0000 | |
| 530 | L | B | 0.0000 | |
| 531 | D | B | -0.8900 | |
| 532 | E | B | -1.0277 | |
| 533 | A | B | -1.0749 | |
| 534 | T | B | -0.7687 | |
| 535 | S | B | -0.6863 | |
| 536 | A | B | -0.2745 | |
| 537 | L | B | -0.7953 | |
| 538 | D | B | -2.5685 | |
| 539 | S | B | -2.3856 | |
| 540 | E | B | -2.9956 | |
| 541 | S | B | -2.2079 | |
| 542 | E | B | -2.6963 | |
| 543 | K | B | -3.0648 | |
| 544 | L | B | -1.8013 | |
| 545 | V | B | 0.0000 | |
| 546 | Q | B | -1.8209 | |
| 547 | E | B | -2.5326 | |
| 548 | A | B | 0.0000 | |
| 549 | L | B | -0.5173 | |
| 550 | D | B | -1.0763 | |
| 551 | R | B | -0.8284 | |
| 552 | F | B | 0.0000 | |
| 553 | M | B | 0.4525 | |
| 554 | I | B | 1.2934 | |
| 555 | G | B | 0.1046 | |
| 556 | R | B | -0.2640 | |
| 557 | T | B | 0.0000 | |
| 558 | T | B | 0.0000 | |
| 559 | L | B | 0.0000 | |
| 560 | I | B | 0.0000 | |
| 561 | I | B | 0.0000 | |
| 562 | A | B | -0.4568 | |
| 563 | H | B | -0.6349 | |
| 564 | R | B | -0.8161 | |
| 565 | L | B | -0.6091 | |
| 566 | S | B | -1.0940 | |
| 567 | T | B | -1.3247 | |
| 568 | I | B | 0.0000 | |
| 569 | R | B | -2.9404 | |
| 570 | K | B | -2.7192 | |
| 571 | A | B | -1.7526 | |
| 572 | D | B | -1.4609 | |
| 573 | L | B | -0.6722 | |
| 574 | V | B | 0.0000 | |
| 575 | A | B | 0.0000 | |
| 576 | V | B | 0.0000 | |
| 577 | L | B | -0.6809 | |
| 578 | Q | B | -1.4319 | |
| 579 | Q | B | -1.9490 | |
| 580 | G | B | 0.0000 | |
| 581 | S | B | -1.4244 | |
| 582 | V | B | -0.6867 | |
| 583 | S | B | -0.8373 | |
| 584 | E | B | -1.6234 | |
| 585 | I | B | -0.1005 | |
| 586 | G | B | 0.0000 | |
| 587 | T | B | -1.3515 | |
| 588 | H | B | -1.8731 | |
| 589 | D | B | -2.7351 | |
| 590 | E | B | -2.6461 | |
| 591 | L | B | 0.0000 | |
| 592 | F | B | -0.9937 | |
| 593 | S | B | -1.7458 | |
| 594 | K | B | -2.5322 | |
| 595 | G | B | -2.2230 | |
| 596 | E | B | -3.0587 | |
| 597 | N | B | -2.7058 | |
| 598 | G | B | 0.0000 | |
| 599 | V | B | -1.0202 | |
| 600 | Y | B | 0.0000 | |
| 601 | A | B | -1.2617 | |
| 602 | K | B | -2.1403 | |
| 603 | L | B | -0.7199 | |
| 604 | I | B | -0.9050 | |
| 605 | K | B | -1.9569 | |
| 606 | M | B | -0.6250 | |
| 607 | Q | B | -1.3385 | |
| 608 | E | B | -2.3995 | |
| 609 | A | B | -1.4517 | |
| 610 | A | B | -1.0678 | |
| 611 | H | B | -1.9147 | |
| 612 | E | B | -2.2206 | |
| 613 | T | B | -0.9916 | |
| 614 | A | B | -0.2127 | |
| 615 | M | B | 0.3890 | |
| 676 | K | B | -1.6163 | |
| 677 | L | B | 0.1107 | |
| 678 | A | B | 0.0690 | |
| 679 | F | B | 0.5099 | |
| 680 | K | B | -1.9951 | |
| 681 | D | B | -2.3847 | |
| 682 | Q | B | -0.9230 | |
| 683 | A | B | -0.4543 | |
| 684 | N | B | -1.2426 | |
| 685 | S | B | 0.0000 | |
| 686 | F | B | 0.3000 | |
| 687 | W | B | 0.2342 | |
| 688 | R | B | -0.8980 | |
| 689 | L | B | 0.0000 | |
| 690 | A | B | -0.5842 | |
| 691 | K | B | -1.5696 | |
| 692 | M | B | -0.9871 | |
| 693 | N | B | -0.8857 | |
| 694 | S | B | -0.8361 | |
| 695 | P | B | -0.7006 | |
| 696 | E | B | -0.2208 | |
| 697 | W | B | 0.6375 | |
| 698 | K | B | -0.5024 | |
| 699 | Y | B | 0.6853 | |
| 700 | A | B | 0.0000 | |
| 701 | L | B | 2.1834 | |
| 702 | L | B | 1.8934 | |
| 703 | G | B | 0.0000 | |
| 704 | S | B | 2.0114 | |
| 705 | V | B | 2.6309 | |
| 706 | G | B | 0.0000 | |
| 707 | S | B | 0.0000 | |
| 708 | V | B | 1.8073 | |
| 709 | I | B | 1.8648 | |
| 710 | C | B | 0.0000 | |
| 711 | G | B | 0.0000 | |
| 712 | S | B | 1.2508 | |
| 713 | L | B | 1.1374 | |
| 714 | S | B | 0.7646 | |
| 715 | A | B | 0.0000 | |
| 716 | F | B | 1.6325 | |
| 717 | F | B | 1.1342 | |
| 718 | A | B | 0.7728 | |
| 719 | Y | B | 0.8353 | |
| 720 | V | B | 0.0000 | |
| 721 | L | B | 0.5148 | |
| 722 | S | B | 0.0000 | |
| 723 | A | B | 0.0000 | |
| 724 | V | B | 0.0000 | |
| 725 | L | B | 0.0000 | |
| 726 | S | B | -0.2091 | |
| 727 | V | B | 0.0000 | |
| 728 | Y | B | 0.0000 | |
| 729 | Y | B | -0.6763 | |
| 730 | N | B | -1.3519 | |
| 731 | P | B | -1.7189 | |
| 732 | D | B | -2.7779 | |
| 733 | H | B | -2.9220 | |
| 734 | E | B | -2.7794 | |
| 735 | Y | B | -1.3871 | |
| 736 | M | B | 0.0000 | |
| 737 | I | B | -1.4560 | |
| 738 | K | B | -2.4616 | |
| 739 | Q | B | -1.7818 | |
| 740 | I | B | 0.0000 | |
| 741 | D | B | -1.6280 | |
| 742 | K | B | -1.8574 | |
| 743 | Y | B | -0.2209 | |
| 744 | C | B | 0.0000 | |
| 745 | Y | B | 1.3212 | |
| 746 | L | B | 1.4459 | |
| 747 | L | B | 0.0000 | |
| 748 | I | B | 1.9506 | |
| 749 | G | B | 0.9290 | |
| 750 | L | B | 0.0000 | |
| 751 | S | B | 0.0000 | |
| 752 | S | B | 0.9737 | |
| 753 | A | B | 1.2649 | |
| 754 | A | B | 0.0000 | |
| 755 | L | B | 2.2084 | |
| 756 | V | B | 2.6296 | |
| 757 | F | B | 2.2330 | |
| 758 | N | B | 0.0000 | |
| 759 | T | B | 1.4597 | |
| 760 | L | B | 1.6538 | |
| 761 | Q | B | 0.0000 | |
| 762 | H | B | 0.2748 | |
| 763 | S | B | 0.4055 | |
| 764 | F | B | 0.9723 | |
| 765 | W | B | 0.6349 | |
| 766 | D | B | 0.0000 | |
| 767 | I | B | 0.4376 | |
| 768 | V | B | 0.2834 | |
| 769 | G | B | 0.0000 | |
| 770 | E | B | -0.5950 | |
| 771 | N | B | -0.5712 | |
| 772 | L | B | -0.5109 | |
| 773 | T | B | -1.0083 | |
| 774 | K | B | -1.5348 | |
| 775 | R | B | -1.5529 | |
| 776 | V | B | 0.0000 | |
| 777 | R | B | 0.0000 | |
| 778 | E | B | -1.4197 | |
| 779 | K | B | -1.4105 | |
| 780 | M | B | 0.0000 | |
| 781 | L | B | 0.0000 | |
| 782 | S | B | -0.8190 | |
| 783 | A | B | -1.1231 | |
| 784 | V | B | 0.0000 | |
| 785 | L | B | 0.0000 | |
| 786 | K | B | -1.8327 | |
| 787 | N | B | -1.5104 | |
| 788 | E | B | 0.0000 | |
| 789 | M | B | 0.0000 | |
| 790 | A | B | -1.1235 | |
| 791 | W | B | -1.4575 | |
| 792 | F | B | -1.7558 | |
| 793 | D | B | -3.3868 | |
| 794 | Q | B | -3.6337 | |
| 795 | E | B | -4.1698 | |
| 796 | E | B | -3.7752 | |
| 797 | N | B | 0.0000 | |
| 798 | E | B | -2.9243 | |
| 799 | S | B | -1.2920 | |
| 800 | A | B | -1.1354 | |
| 801 | R | B | -2.3757 | |
| 802 | I | B | 0.0000 | |
| 803 | A | B | -0.8588 | |
| 804 | A | B | -0.6279 | |
| 805 | R | B | -0.8829 | |
| 806 | L | B | 0.0000 | |
| 807 | A | B | 0.0863 | |
| 808 | L | B | 0.8247 | |
| 809 | D | B | -0.3797 | |
| 810 | A | B | 0.0000 | |
| 811 | N | B | -0.5199 | |
| 812 | N | B | -0.8429 | |
| 813 | V | B | 0.0000 | |
| 814 | R | B | -1.0191 | |
| 815 | S | B | -0.9513 | |
| 816 | A | B | 0.0000 | |
| 817 | I | B | 0.0000 | |
| 818 | G | B | -0.5281 | |
| 819 | D | B | -0.6939 | |
| 820 | R | B | -0.1883 | |
| 821 | I | B | 0.4181 | |
| 822 | S | B | 0.0000 | |
| 823 | V | B | 0.4627 | |
| 824 | I | B | 0.9879 | |
| 825 | V | B | 1.0412 | |
| 826 | Q | B | 0.8280 | |
| 827 | N | B | 0.0000 | |
| 828 | T | B | 0.9343 | |
| 829 | A | B | 1.2783 | |
| 830 | L | B | 0.0000 | |
| 831 | M | B | 1.1089 | |
| 832 | L | B | 1.8863 | |
| 833 | V | B | 1.3791 | |
| 834 | A | B | 0.0000 | |
| 835 | C | B | 1.4473 | |
| 836 | T | B | 1.4398 | |
| 837 | A | B | 1.4863 | |
| 838 | G | B | 0.0000 | |
| 839 | F | B | 2.2169 | |
| 840 | V | B | 2.4429 | |
| 841 | L | B | 1.1904 | |
| 842 | Q | B | 0.0000 | |
| 843 | W | B | 1.5242 | |
| 844 | R | B | 0.2286 | |
| 845 | L | B | 0.0000 | |
| 846 | A | B | 0.0000 | |
| 847 | L | B | 1.4656 | |
| 848 | V | B | 1.3210 | |
| 849 | L | B | 0.0000 | |
| 850 | V | B | 1.2659 | |
| 851 | A | B | 0.9978 | |
| 852 | V | B | 1.3006 | |
| 853 | F | B | 1.0375 | |
| 854 | P | B | 0.6172 | |
| 855 | V | B | 1.2639 | |
| 856 | V | B | 0.0000 | |
| 857 | V | B | 0.5444 | |
| 858 | A | B | 0.7301 | |
| 859 | A | B | 0.0000 | |
| 860 | T | B | -0.1980 | |
| 861 | V | B | 0.1703 | |
| 862 | L | B | 0.2361 | |
| 863 | Q | B | -0.2806 | |
| 864 | K | B | -0.3305 | |
| 865 | M | B | 0.4591 | |
| 866 | F | B | 0.0000 | |
| 867 | M | B | 0.7532 | |
| 868 | T | B | 0.3199 | |
| 869 | G | B | 0.1021 | |
| 870 | F | B | -0.0982 | |
| 871 | S | B | -0.8084 | |
| 872 | G | B | -1.4824 | |
| 873 | D | B | -2.3396 | |
| 874 | L | B | -1.5465 | |
| 875 | E | B | -2.0971 | |
| 876 | A | B | -1.4943 | |
| 877 | A | B | -1.3743 | |
| 878 | H | B | 0.0000 | |
| 879 | A | B | -1.4475 | |
| 880 | K | B | -2.1784 | |
| 881 | G | B | 0.0000 | |
| 882 | T | B | -1.3376 | |
| 883 | Q | B | -1.5448 | |
| 884 | L | B | 0.0000 | |
| 885 | A | B | 0.0000 | |
| 886 | G | B | -0.6207 | |
| 887 | E | B | -1.3148 | |
| 888 | A | B | 0.0000 | |
| 889 | I | B | 0.0000 | |
| 890 | A | B | -0.4821 | |
| 891 | N | B | -0.7074 | |
| 892 | V | B | -0.5170 | |
| 893 | R | B | -0.5930 | |
| 894 | T | B | -0.3171 | |
| 895 | V | B | 0.0000 | |
| 896 | A | B | -0.4759 | |
| 897 | A | B | 0.0000 | |
| 898 | F | B | -0.3833 | |
| 899 | N | B | -0.6860 | |
| 900 | S | B | 0.0000 | |
| 901 | E | B | -0.8499 | |
| 902 | A | B | -1.0198 | |
| 903 | K | B | -1.2672 | |
| 904 | I | B | 0.0000 | |
| 905 | V | B | 0.0000 | |
| 906 | R | B | -2.1149 | |
| 907 | L | B | -0.9574 | |
| 908 | Y | B | 0.0000 | |
| 909 | T | B | -1.3297 | |
| 910 | A | B | -1.2789 | |
| 911 | N | B | -1.7485 | |
| 912 | L | B | 0.0000 | |
| 913 | E | B | -2.4948 | |
| 914 | P | B | -1.9250 | |
| 915 | P | B | -1.4987 | |
| 916 | L | B | -1.3615 | |
| 917 | K | B | -1.9756 | |
| 918 | R | B | -2.2789 | |
| 919 | C | B | -0.8924 | |
| 920 | F | B | -0.0873 | |
| 921 | W | B | 0.3196 | |
| 922 | K | B | -0.3332 | |
| 923 | G | B | 0.0000 | |
| 924 | Q | B | 0.7232 | |
| 925 | I | B | 1.7157 | |
| 926 | A | B | 0.0000 | |
| 927 | G | B | 0.0000 | |
| 928 | S | B | 0.8876 | |
| 929 | G | B | 0.8531 | |
| 930 | Y | B | 0.0000 | |
| 931 | G | B | 0.0000 | |
| 932 | V | B | 1.8080 | |
| 933 | A | B | 1.2355 | |
| 934 | Q | B | 0.0000 | |
| 935 | F | B | 2.0389 | |
| 936 | C | B | 1.4942 | |
| 937 | L | B | 0.0000 | |
| 938 | Y | B | 1.2141 | |
| 939 | A | B | 1.3805 | |
| 940 | S | B | 0.0000 | |
| 941 | Y | B | 0.9477 | |
| 942 | A | B | 1.5506 | |
| 943 | L | B | 1.8699 | |
| 944 | G | B | 0.0000 | |
| 945 | L | B | 0.0000 | |
| 946 | W | B | 1.4170 | |
| 947 | Y | B | 1.3325 | |
| 948 | A | B | 0.0000 | |
| 949 | S | B | 0.0000 | |
| 950 | W | B | 0.9827 | |
| 951 | L | B | 0.0000 | |
| 952 | V | B | -0.3941 | |
| 953 | K | B | -1.1287 | |
| 954 | H | B | -1.0904 | |
| 955 | G | B | -0.8890 | |
| 956 | I | B | -0.0955 | |
| 957 | S | B | -0.9312 | |
| 958 | D | B | -2.1169 | |
| 959 | F | B | 0.0000 | |
| 960 | S | B | -1.0757 | |
| 961 | K | B | -1.0713 | |
| 962 | T | B | 0.0000 | |
| 963 | I | B | 0.0000 | |
| 964 | R | B | -0.3748 | |
| 965 | V | B | 0.0000 | |
| 966 | F | B | 0.0000 | |
| 967 | M | B | 0.3269 | |
| 968 | V | B | 0.0000 | |
| 969 | L | B | 0.0000 | |
| 970 | M | B | 0.2752 | |
| 971 | V | B | 0.1643 | |
| 972 | S | B | 0.0000 | |
| 973 | A | B | 0.0000 | |
| 974 | N | B | -1.1707 | |
| 975 | G | B | 0.0000 | |
| 976 | A | B | 0.2311 | |
| 977 | A | B | 0.0000 | |
| 978 | E | B | -0.2299 | |
| 979 | T | B | 0.6089 | |
| 980 | L | B | 1.5678 | |
| 981 | T | B | 0.6109 | |
| 982 | L | B | 0.7561 | |
| 983 | A | B | 0.6964 | |
| 984 | P | B | 0.2345 | |
| 985 | D | B | -0.1111 | |
| 986 | F | B | 0.7064 | |
| 987 | I | B | 0.9697 | |
| 988 | K | B | -0.9317 | |
| 989 | G | B | 0.0000 | |
| 990 | G | B | -0.6427 | |
| 991 | Q | B | -1.5158 | |
| 992 | A | B | -1.0039 | |
| 993 | M | B | 0.0000 | |
| 994 | R | B | -1.7700 | |
| 995 | S | B | -1.3897 | |
| 996 | V | B | 0.0000 | |
| 997 | F | B | -1.4738 | |
| 998 | E | B | -2.4104 | |
| 999 | L | B | -1.6100 | |
| 1000 | L | B | -1.4939 | |
| 1001 | D | B | -2.8340 | |
| 1002 | R | B | -2.9337 | |
| 1003 | K | B | -3.1560 | |
| 1004 | T | B | -2.5997 | |
| 1005 | E | B | -2.8039 | |
| 1006 | I | B | -2.4313 | |
| 1007 | E | B | -2.8891 | |
| 1008 | P | B | -2.2918 | |
| 1009 | D | B | -3.1725 | |
| 1010 | D | B | -3.1523 | |
| 1011 | P | B | -2.3363 | |
| 1012 | D | B | -2.6639 | |
| 1013 | T | B | -2.3167 | |
| 1014 | T | B | -1.4651 | |
| 1015 | P | B | -0.9244 | |
| 1016 | V | B | -1.0294 | |
| 1017 | P | B | -1.7126 | |
| 1018 | D | B | -2.9976 | |
| 1019 | R | B | -3.1969 | |
| 1020 | L | B | 0.0000 | |
| 1021 | R | B | -3.2440 | |
| 1022 | G | B | 0.0000 | |
| 1023 | E | B | -2.8830 | |
| 1024 | V | B | 0.0000 | |
| 1025 | E | B | -2.3469 | |
| 1026 | L | B | 0.0000 | |
| 1027 | K | B | -2.2691 | |
| 1028 | H | B | -2.7590 | |
| 1029 | I | B | 0.0000 | |
| 1030 | D | B | -2.2047 | |
| 1031 | F | B | 0.0000 | |
| 1032 | S | B | -0.7938 | |
| 1033 | Y | B | -0.6368 | |
| 1034 | P | B | -1.2309 | |
| 1035 | S | B | -1.9148 | |
| 1036 | R | B | -2.2951 | |
| 1037 | P | B | -1.4657 | |
| 1038 | D | B | -1.5411 | |
| 1039 | I | B | 0.7378 | |
| 1040 | Q | B | -0.4859 | |
| 1041 | I | B | -0.5134 | |
| 1042 | F | B | 0.0000 | |
| 1043 | R | B | -3.7004 | |
| 1044 | D | B | -3.6157 | |
| 1045 | L | B | 0.0000 | |
| 1046 | S | B | -1.9745 | |
| 1047 | L | B | 0.0000 | |
| 1048 | R | B | -2.8304 | |
| 1049 | A | B | 0.0000 | |
| 1050 | R | B | -3.2703 | |
| 1051 | A | B | -2.5388 | |
| 1052 | G | B | -1.9747 | |
| 1053 | K | B | -1.7763 | |
| 1054 | T | B | -1.0185 | |
| 1055 | L | B | 0.0000 | |
| 1056 | A | B | 0.0000 | |
| 1057 | L | B | 0.0000 | |
| 1058 | V | B | 0.2762 | |
| 1059 | G | B | -0.5482 | |
| 1060 | P | B | -0.9351 | |
| 1061 | S | B | -1.0127 | |
| 1062 | G | B | -0.2290 | |
| 1063 | C | B | 0.3799 | |
| 1064 | G | B | -0.3377 | |
| 1065 | K | B | 0.0000 | |
| 1066 | S | B | -0.2823 | |
| 1067 | S | B | 0.0000 | |
| 1068 | V | B | 0.0000 | |
| 1069 | I | B | 0.0000 | |
| 1070 | S | B | 0.0000 | |
| 1071 | L | B | 0.0000 | |
| 1072 | I | B | 0.0000 | |
| 1073 | Q | B | 0.0000 | |
| 1074 | R | B | -0.8625 | |
| 1075 | F | B | 0.0000 | |
| 1076 | Y | B | 0.0000 | |
| 1077 | E | B | -2.5596 | |
| 1078 | P | B | -1.6744 | |
| 1079 | S | B | -1.2766 | |
| 1080 | S | B | -1.5801 | |
| 1081 | G | B | -2.2058 | |
| 1082 | R | B | -2.9046 | |
| 1083 | V | B | 0.0000 | |
| 1084 | M | B | -1.7017 | |
| 1085 | I | B | 0.0000 | |
| 1086 | D | B | -1.8167 | |
| 1087 | G | B | -1.3720 | |
| 1088 | K | B | -1.8963 | |
| 1089 | D | B | 0.0000 | |
| 1090 | I | B | 0.0000 | |
| 1091 | R | B | -3.2671 | |
| 1092 | K | B | -3.1219 | |
| 1093 | Y | B | 0.0000 | |
| 1094 | N | B | -2.1469 | |
| 1095 | L | B | -1.6028 | |
| 1096 | K | B | -1.3286 | |
| 1097 | A | B | -0.8945 | |
| 1098 | I | B | 0.0000 | |
| 1099 | R | B | 0.0000 | |
| 1100 | K | B | -1.4508 | |
| 1101 | H | B | -1.4011 | |
| 1102 | I | B | 0.0000 | |
| 1103 | A | B | 0.0000 | |
| 1104 | I | B | 0.0000 | |
| 1105 | V | B | 0.0000 | |
| 1106 | P | B | -1.4248 | |
| 1107 | Q | B | -2.2998 | |
| 1108 | E | B | -2.5304 | |
| 1109 | P | B | 0.0000 | |
| 1110 | C | B | -0.1573 | |
| 1111 | L | B | -0.0515 | |
| 1112 | F | B | 0.1728 | |
| 1113 | G | B | -0.7521 | |
| 1114 | T | B | -0.2975 | |
| 1115 | T | B | 0.0000 | |
| 1116 | I | B | 0.0000 | |
| 1117 | Y | B | -0.0085 | |
| 1118 | E | B | -0.4322 | |
| 1119 | N | B | 0.0000 | |
| 1120 | I | B | 0.0000 | |
| 1121 | A | B | -0.5964 | |
| 1122 | Y | B | -0.1503 | |
| 1123 | G | B | 0.0000 | |
| 1124 | H | B | -1.1145 | |
| 1125 | E | B | -1.4884 | |
| 1126 | C | B | -0.4821 | |
| 1127 | A | B | -0.8106 | |
| 1128 | T | B | -1.1797 | |
| 1129 | E | B | -1.8899 | |
| 1130 | A | B | -1.3483 | |
| 1131 | E | B | -1.6903 | |
| 1132 | I | B | 0.0000 | |
| 1133 | I | B | -0.0956 | |
| 1134 | Q | B | -1.1339 | |
| 1135 | A | B | -0.6593 | |
| 1136 | A | B | 0.0000 | |
| 1137 | T | B | -0.3761 | |
| 1138 | L | B | 0.1620 | |
| 1139 | A | B | 0.0000 | |
| 1140 | S | B | -0.6198 | |
| 1141 | A | B | -0.2167 | |
| 1142 | H | B | -0.5526 | |
| 1143 | K | B | -1.1586 | |
| 1144 | F | B | 0.5421 | |
| 1145 | I | B | 0.0000 | |
| 1146 | S | B | -0.5751 | |
| 1147 | A | B | -0.2001 | |
| 1148 | L | B | -0.3993 | |
| 1149 | P | B | -1.0390 | |
| 1150 | E | B | -1.7816 | |
| 1151 | G | B | -1.1587 | |
| 1152 | Y | B | -0.5386 | |
| 1153 | K | B | -0.8990 | |
| 1154 | T | B | 0.0000 | |
| 1155 | Y | B | 0.3736 | |
| 1156 | V | B | 0.0000 | |
| 1157 | G | B | -1.3350 | |
| 1158 | E | B | -2.7158 | |
| 1159 | R | B | -2.6354 | |
| 1160 | G | B | -0.8884 | |
| 1161 | V | B | 0.3566 | |
| 1162 | Q | B | -1.1178 | |
| 1163 | L | B | -0.3614 | |
| 1164 | S | B | -0.6231 | |
| 1165 | G | B | -1.1206 | |
| 1166 | G | B | -0.8698 | |
| 1167 | Q | B | -0.6420 | |
| 1168 | K | B | -0.9275 | |
| 1169 | Q | B | 0.0000 | |
| 1170 | R | B | 0.0000 | |
| 1171 | I | B | 0.0000 | |
| 1172 | A | B | -0.2088 | |
| 1173 | I | B | 0.0000 | |
| 1174 | A | B | 0.0000 | |
| 1175 | R | B | 0.0000 | |
| 1176 | A | B | 0.0000 | |
| 1177 | L | B | -0.1979 | |
| 1178 | V | B | -0.8622 | |
| 1179 | R | B | 0.0000 | |
| 1180 | K | B | -1.7993 | |
| 1181 | A | B | 0.0000 | |
| 1182 | E | B | 0.0000 | |
| 1183 | I | B | 0.0000 | |
| 1184 | M | B | 0.0000 | |
| 1185 | L | B | 0.0000 | |
| 1186 | L | B | 0.0000 | |
| 1187 | D | B | -1.0203 | |
| 1188 | E | B | -1.2794 | |
| 1189 | A | B | 0.0000 | |
| 1190 | T | B | -0.6489 | |
| 1191 | S | B | -0.7023 | |
| 1192 | A | B | 0.0000 | |
| 1193 | L | B | 0.4030 | |
| 1194 | D | B | -1.5958 | |
| 1195 | A | B | -1.5995 | |
| 1196 | E | B | -2.7016 | |
| 1197 | S | B | 0.0000 | |
| 1198 | E | B | -2.5139 | |
| 1199 | R | B | -3.2880 | |
| 1200 | S | B | 0.0000 | |
| 1201 | V | B | 0.0000 | |
| 1202 | Q | B | -2.4036 | |
| 1203 | E | B | -2.6473 | |
| 1204 | A | B | 0.0000 | |
| 1205 | L | B | -1.5635 | |
| 1206 | D | B | -2.5577 | |
| 1207 | Q | B | -1.5690 | |
| 1208 | A | B | 0.0000 | |
| 1209 | C | B | -0.8716 | |
| 1210 | S | B | -1.1451 | |
| 1211 | G | B | -1.0110 | |
| 1212 | R | B | -1.5384 | |
| 1213 | T | B | 0.0000 | |
| 1214 | S | B | 0.0000 | |
| 1215 | I | B | 0.0000 | |
| 1216 | V | B | 0.2359 | |
| 1217 | V | B | 0.0000 | |
| 1218 | A | B | 0.0000 | |
| 1219 | H | B | -0.1888 | |
| 1220 | R | B | 0.0393 | |
| 1221 | L | B | 1.0463 | |
| 1222 | S | B | 0.0624 | |
| 1223 | T | B | -0.0210 | |
| 1224 | I | B | -0.2570 | |
| 1225 | R | B | -1.1199 | |
| 1226 | N | B | -1.8651 | |
| 1227 | A | B | -0.9990 | |
| 1228 | H | B | -1.0823 | |
| 1229 | V | B | -1.1249 | |
| 1230 | I | B | 0.0000 | |
| 1231 | A | B | 0.0000 | |
| 1232 | V | B | 0.0000 | |
| 1233 | I | B | -1.5341 | |
| 1234 | D | B | -2.9040 | |
| 1235 | D | B | -3.3398 | |
| 1236 | G | B | 0.0000 | |
| 1237 | K | B | -3.5118 | |
| 1238 | V | B | -1.8736 | |
| 1239 | A | B | -0.6045 | |
| 1240 | E | B | 0.0000 | |
| 1241 | Q | B | -1.0098 | |
| 1242 | G | B | -0.9064 | |
| 1243 | S | B | -0.9057 | |
| 1244 | H | B | -1.1848 | |
| 1245 | S | B | -1.3521 | |
| 1246 | H | B | -1.8477 | |
| 1247 | L | B | 0.0000 | |
| 1248 | L | B | -1.4020 | |
| 1249 | K | B | -2.4694 | |
| 1250 | N | B | -2.6547 | |
| 1251 | H | B | -2.3026 | |
| 1252 | P | B | -2.1260 | |
| 1253 | D | B | -2.3982 | |
| 1254 | G | B | -1.3197 | |
| 1255 | I | B | -0.5168 | |
| 1256 | Y | B | 0.0000 | |
| 1257 | A | B | -1.2089 | |
| 1258 | R | B | -1.8593 | |
| 1259 | M | B | -0.4040 | |
| 1260 | I | B | -0.1179 | |
| 1261 | Q | B | -0.9768 | |
| 1262 | L | B | 0.1267 | |
| 1263 | Q | B | -0.6181 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is globular. Max score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.3312 | 4.6073 | View | CSV | PDB |
| 4.5 | -0.3912 | 4.6088 | View | CSV | PDB |
| 5.0 | -0.464 | 4.6115 | View | CSV | PDB |
| 5.5 | -0.535 | 4.6148 | View | CSV | PDB |
| 6.0 | -0.5902 | 4.6174 | View | CSV | PDB |
| 6.5 | -0.6198 | 4.6187 | View | CSV | PDB |
| 7.0 | -0.6242 | 4.6193 | View | CSV | PDB |
| 7.5 | -0.612 | 4.6194 | View | CSV | PDB |
| 8.0 | -0.5906 | 4.6195 | View | CSV | PDB |
| 8.5 | -0.5623 | 4.6195 | View | CSV | PDB |
| 9.0 | -0.5264 | 4.6195 | 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