| Chain sequence(s) |
A: AKFPKNFMFGYSWSGFQFEMGLPGSEVESDWWVWVHDKENIASGLVSGDLPENGPAYWHLYKQDHDIAEKLGMDCIRGGIEWARIFPKPTFDVKVDVEKDEEGNIISVDVPESTIKELEKIANMEALEHYRKIYSDWKERGKTFILNLYHWPLPLWIHDPIAVRKLGPDRAPAGWLDEKTVVEFVKFAAFVAYHLDDLVDMWSTMNEPNVVYNQGYINLRSGFPPGYLSFEAAEKAKFNLIQAHIGAYDAIKEYSEKSVGVIYAFAWHDPLAEEYKDEVEEIRKKDYEFVTILHSKGKLDWIGVNYYSRLVYGAKDGHLVPLPGYGFMSERGGFAKSGRPASDFGWEMYPEGLENLLKYLNNAYELPMIITENGMADAADRYRPHYLVSHLKAVYNAMKEGADVRGYLHWSLTDNYEWAQGFRMRFGLVYVDFETKKRYLRPSALVFREIATQKEIPEELAHLADLKFVTR
C: AKFPKNFMFGYSWSGFQFEMGLPGSEVESDWWVWVHDKENIASGLVSGDLPENGPAYWHLYKQDHDIAEKLGMDCIRGGIEWARIFPKPTFDVKVDVEKDEEGNIISVDVPESTIKELEKIANMEALEHYRKIYSDWKERGKTFILNLYHWPLPLWIHDPIAVRKLGPDRAPAGWLDEKTVVEFVKFAAFVAYHLDDLVDMWSTMNEPNVVYNQGYINLRSGFPPGYLSFEAAEKAKFNLIQAHIGAYDAIKEYSEKSVGVIYAFAWHDPLAEEYKDEVEEIRKKDYEFVTILHSKGKLDWIGVNYYSRLVYGAKDGHLVPLPGYGFMSERGGFAKSGRPASDFGWEMYPEGLENLLKYLNNAYELPMIITENGMADAADRYRPHYLVSHLKAVYNAMKEGADVRGYLHWSLTDNYEWAQGFRMRFGLVYVDFETKKRYLRPSALVFREIATQKEIPEELAHLADLKFVTR B: AKFPKNFMFGYSWSGFQFEMGLPGSEVESDWWVWVHDKENIASGLVSGDLPENGPAYWHLYKQDHDIAEKLGMDCIRGGIEWARIFPKPTFDVKVDVEKDEEGNIISVDVPESTIKELEKIANMEALEHYRKIYSDWKERGKTFILNLYHWPLPLWIHDPIAVRKLGPDRAPAGWLDEKTVVEFVKFAAFVAYHLDDLVDMWSTMNEPNVVYNQGYINLRSGFPPGYLSFEAAEKAKFNLIQAHIGAYDAIKEYSEKSVGVIYAFAWHDPLAEEYKDEVEEIRKKDYEFVTILHSKGKLDWIGVNYYSRLVYGAKDGHLVPLPGYGFMSERGGFAKSGRPASDFGWEMYPEGLENLLKYLNNAYELPMIITENGMADAADRYRPHYLVSHLKAVYNAMKEGADVRGYLHWSLTDNYEWAQGFRMRFGLVYVDFETKKRYLRPSALVFREIATQKEIPEELAHLADLKFVTR D: AKFPKNFMFGYSWSGFQFEMGLPGSEVESDWWVWVHDKENIASGLVSGDLPENGPAYWHLYKQDHDIAEKLGMDCIRGGIEWARIFPKPTFDVKVDVEKDEEGNIISVDVPESTIKELEKIANMEALEHYRKIYSDWKERGKTFILNLYHWPLPLWIHDPIAVRKLGPDRAPAGWLDEKTVVEFVKFAAFVAYHLDDLVDMWSTMNEPNVVYNQGYINLRSGFPPGYLSFEAAEKAKFNLIQAHIGAYDAIKEYSEKSVGVIYAFAWHDPLAEEYKDEVEEIRKKDYEFVTILHSKGKLDWIGVNYYSRLVYGAKDGHLVPLPGYGFMSERGGFAKSGRPASDFGWEMYPEGLENLLKYLNNAYELPMIITENGMADAADRYRPHYLVSHLKAVYNAMKEGADVRGYLHWSLTDNYEWAQGFRMRFGLVYVDFETKKRYLRPSALVFREIATQKEIPEELAHLADLKFVTR input PDB |
| Selected Chain(s) | A,C,B,D |
| 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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:09)
[INFO] FoldX: Starting FoldX energy minimization (00:00:10)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:55:54)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/234455e81489310/tmp/folded.pdb (00:55:54)
[INFO] Main: Simulation completed successfully. (01:41:36)
|
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 |
|---|---|---|---|---|
| 1 | A | A | -1.0358 | |
| 2 | K | A | -2.5085 | |
| 3 | F | A | 0.0000 | |
| 4 | P | A | -2.0470 | |
| 5 | K | A | -2.6984 | |
| 6 | N | A | -2.4996 | |
| 7 | F | A | -1.6153 | |
| 8 | M | A | -0.8484 | |
| 9 | F | A | 0.0000 | |
| 10 | G | A | 0.0000 | |
| 11 | Y | A | 0.0000 | |
| 12 | S | A | 0.0000 | |
| 13 | W | A | 0.0000 | |
| 14 | S | A | 0.0000 | |
| 15 | G | A | 0.0000 | |
| 16 | F | A | 0.0000 | |
| 17 | Q | A | 0.0000 | |
| 18 | F | A | 0.0000 | |
| 19 | E | A | 0.0000 | |
| 20 | M | A | 0.0000 | |
| 21 | G | A | 0.0000 | |
| 22 | L | A | -0.3769 | |
| 23 | P | A | -0.7912 | |
| 24 | G | A | -0.9516 | |
| 25 | S | A | 0.0000 | |
| 26 | E | A | -1.7366 | |
| 27 | V | A | 0.0000 | |
| 28 | E | A | -1.8445 | |
| 29 | S | A | 0.0000 | |
| 30 | D | A | 0.0000 | |
| 31 | W | A | 0.0000 | |
| 32 | W | A | -0.3721 | |
| 33 | V | A | -0.2910 | |
| 34 | W | A | 0.0000 | |
| 35 | V | A | 0.0000 | |
| 36 | H | A | -0.6198 | |
| 37 | D | A | -1.0548 | |
| 38 | K | A | -1.7187 | |
| 39 | E | A | -1.0123 | |
| 40 | N | A | 0.0000 | |
| 41 | I | A | -0.1995 | |
| 42 | A | A | -0.2286 | |
| 43 | S | A | 0.0000 | |
| 44 | G | A | -0.8145 | |
| 45 | L | A | 0.0000 | |
| 46 | V | A | 0.0000 | |
| 47 | S | A | -0.4029 | |
| 48 | G | A | -0.9306 | |
| 49 | D | A | -0.8867 | |
| 50 | L | A | -0.0528 | |
| 51 | P | A | 0.0000 | |
| 52 | E | A | -1.1763 | |
| 53 | N | A | -1.7023 | |
| 54 | G | A | 0.0000 | |
| 55 | P | A | 0.0000 | |
| 56 | A | A | 0.0000 | |
| 57 | Y | A | 0.0000 | |
| 58 | W | A | 0.0000 | |
| 59 | H | A | -0.8092 | |
| 60 | L | A | -0.8866 | |
| 61 | Y | A | 0.0000 | |
| 62 | K | A | -2.5106 | |
| 63 | Q | A | -2.3696 | |
| 64 | D | A | 0.0000 | |
| 65 | H | A | 0.0000 | |
| 66 | D | A | -2.9937 | |
| 67 | I | A | 0.0000 | |
| 68 | A | A | 0.0000 | |
| 69 | E | A | -2.7422 | |
| 70 | K | A | -2.7075 | |
| 71 | L | A | 0.0000 | |
| 72 | G | A | -1.6034 | |
| 73 | M | A | 0.0000 | |
| 74 | D | A | -1.1608 | |
| 75 | C | A | 0.0000 | |
| 76 | I | A | 0.0000 | |
| 77 | R | A | 0.0000 | |
| 78 | G | A | 0.0000 | |
| 79 | G | A | 0.0000 | |
| 80 | I | A | 0.0000 | |
| 81 | E | A | 0.0000 | |
| 82 | W | A | 0.0000 | |
| 83 | A | A | 0.0000 | |
| 84 | R | A | 0.0000 | |
| 85 | I | A | 0.0000 | |
| 86 | F | A | 0.0000 | |
| 87 | P | A | -1.2735 | |
| 88 | K | A | -1.8766 | |
| 89 | P | A | -0.8950 | |
| 90 | T | A | 0.0000 | |
| 91 | F | A | -0.9756 | |
| 92 | D | A | -1.8493 | |
| 93 | V | A | -1.3918 | |
| 94 | K | A | -2.4415 | |
| 95 | V | A | 0.0000 | |
| 96 | D | A | -2.9283 | |
| 97 | V | A | -1.8241 | |
| 98 | E | A | -2.4960 | |
| 99 | K | A | -2.6663 | |
| 100 | D | A | -3.3194 | |
| 101 | E | A | -3.6519 | |
| 102 | E | A | -3.4173 | |
| 103 | G | A | -2.5811 | |
| 104 | N | A | -1.6509 | |
| 105 | I | A | -0.6851 | |
| 106 | I | A | 0.4543 | |
| 107 | S | A | -0.8825 | |
| 108 | V | A | -1.4988 | |
| 109 | D | A | -2.9441 | |
| 110 | V | A | -1.7183 | |
| 111 | P | A | -1.5551 | |
| 112 | E | A | -2.0684 | |
| 113 | S | A | -1.6365 | |
| 114 | T | A | -1.8974 | |
| 115 | I | A | 0.0000 | |
| 116 | K | A | -2.8167 | |
| 117 | E | A | -2.6858 | |
| 118 | L | A | 0.0000 | |
| 119 | E | A | -2.1804 | |
| 120 | K | A | -2.6149 | |
| 121 | I | A | -1.5839 | |
| 122 | A | A | -1.6247 | |
| 123 | N | A | -1.5521 | |
| 124 | M | A | -1.6381 | |
| 125 | E | A | -2.2778 | |
| 126 | A | A | 0.0000 | |
| 127 | L | A | 0.0000 | |
| 128 | E | A | -2.6906 | |
| 129 | H | A | -2.0749 | |
| 130 | Y | A | 0.0000 | |
| 131 | R | A | -2.3075 | |
| 132 | K | A | -2.2825 | |
| 133 | I | A | 0.0000 | |
| 134 | Y | A | 0.0000 | |
| 135 | S | A | -1.8244 | |
| 136 | D | A | 0.0000 | |
| 137 | W | A | 0.0000 | |
| 138 | K | A | -2.2201 | |
| 139 | E | A | -2.4442 | |
| 140 | R | A | -2.1227 | |
| 141 | G | A | -1.7861 | |
| 142 | K | A | -1.7473 | |
| 143 | T | A | -0.8548 | |
| 144 | F | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | L | A | 0.0000 | |
| 147 | N | A | 0.0000 | |
| 148 | L | A | 0.0000 | |
| 149 | Y | A | 0.0000 | |
| 150 | H | A | 0.0000 | |
| 151 | W | A | 0.1507 | |
| 152 | P | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | P | A | 0.0000 | |
| 155 | L | A | 0.0421 | |
| 156 | W | A | -0.2580 | |
| 157 | I | A | 0.0000 | |
| 158 | H | A | 0.0000 | |
| 159 | D | A | -0.2368 | |
| 160 | P | A | 0.0000 | |
| 161 | I | A | 0.0978 | |
| 162 | A | A | -0.4245 | |
| 163 | V | A | 0.0000 | |
| 164 | R | A | 0.0000 | |
| 165 | K | A | -0.8579 | |
| 166 | L | A | -0.8769 | |
| 167 | G | A | 0.0000 | |
| 168 | P | A | -1.5685 | |
| 169 | D | A | -2.5776 | |
| 170 | R | A | -2.6216 | |
| 171 | A | A | -1.4854 | |
| 172 | P | A | -0.9160 | |
| 173 | A | A | 0.0000 | |
| 174 | G | A | 0.0000 | |
| 175 | W | A | 0.0000 | |
| 176 | L | A | -1.4440 | |
| 177 | D | A | -1.9410 | |
| 178 | E | A | -2.6862 | |
| 179 | K | A | -1.9747 | |
| 180 | T | A | 0.0000 | |
| 181 | V | A | 0.0000 | |
| 182 | V | A | 0.0000 | |
| 183 | E | A | 0.0000 | |
| 184 | F | A | 0.0000 | |
| 185 | V | A | 0.0000 | |
| 186 | K | A | 0.0000 | |
| 187 | F | A | 0.0000 | |
| 188 | A | A | 0.0000 | |
| 189 | A | A | 0.0000 | |
| 190 | F | A | 0.0000 | |
| 191 | V | A | 0.0000 | |
| 192 | A | A | 0.0000 | |
| 193 | Y | A | -0.8351 | |
| 194 | H | A | -0.9596 | |
| 195 | L | A | 0.0000 | |
| 196 | D | A | -1.8809 | |
| 197 | D | A | -2.4641 | |
| 198 | L | A | -1.7264 | |
| 199 | V | A | 0.0000 | |
| 200 | D | A | -1.5337 | |
| 201 | M | A | 0.0000 | |
| 202 | W | A | 0.0000 | |
| 203 | S | A | 0.0000 | |
| 204 | T | A | 0.0000 | |
| 205 | M | A | 0.0000 | |
| 206 | N | A | 0.0000 | |
| 207 | E | A | -0.1884 | |
| 208 | P | A | 0.0000 | |
| 209 | N | A | -0.8286 | |
| 210 | V | A | -0.4325 | |
| 211 | V | A | 0.0000 | |
| 212 | Y | A | -1.0589 | |
| 213 | N | A | -1.3652 | |
| 214 | Q | A | -1.1515 | |
| 215 | G | A | 0.0000 | |
| 216 | Y | A | 0.0000 | |
| 217 | I | A | -0.4453 | |
| 218 | N | A | -0.8684 | |
| 219 | L | A | 0.0000 | |
| 220 | R | A | -1.2718 | |
| 221 | S | A | -0.7747 | |
| 222 | G | A | 0.0000 | |
| 223 | F | A | 0.0000 | |
| 224 | P | A | 0.0000 | |
| 225 | P | A | 0.0000 | |
| 226 | G | A | 0.0000 | |
| 227 | Y | A | 0.0000 | |
| 228 | L | A | 0.0000 | |
| 229 | S | A | 0.0000 | |
| 230 | F | A | -0.9034 | |
| 231 | E | A | -2.3761 | |
| 232 | A | A | 0.0000 | |
| 233 | A | A | 0.0000 | |
| 234 | E | A | -2.9969 | |
| 235 | K | A | -2.9890 | |
| 236 | A | A | 0.0000 | |
| 237 | K | A | -1.5649 | |
| 238 | F | A | -0.5707 | |
| 239 | N | A | -1.0108 | |
| 240 | L | A | 0.0000 | |
| 241 | I | A | 0.0000 | |
| 242 | Q | A | 0.0000 | |
| 243 | A | A | 0.0000 | |
| 244 | H | A | 0.0000 | |
| 245 | I | A | -0.3033 | |
| 246 | G | A | 0.0000 | |
| 247 | A | A | 0.0000 | |
| 248 | Y | A | 0.0000 | |
| 249 | D | A | -2.4920 | |
| 250 | A | A | 0.0000 | |
| 251 | I | A | 0.0000 | |
| 252 | K | A | -3.1718 | |
| 253 | E | A | -2.9872 | |
| 254 | Y | A | -1.8960 | |
| 255 | S | A | 0.0000 | |
| 256 | E | A | -2.9997 | |
| 257 | K | A | -2.0325 | |
| 258 | S | A | -1.1086 | |
| 259 | V | A | 0.0000 | |
| 260 | G | A | 0.0000 | |
| 261 | V | A | 0.0000 | |
| 262 | I | A | 0.0000 | |
| 263 | Y | A | 0.0000 | |
| 264 | A | A | -0.1296 | |
| 265 | F | A | 0.0000 | |
| 266 | A | A | 0.1019 | |
| 267 | W | A | -0.0647 | |
| 268 | H | A | 0.0000 | |
| 269 | D | A | -0.2861 | |
| 270 | P | A | -1.4133 | |
| 271 | L | A | 0.0221 | |
| 272 | A | A | -1.2577 | |
| 273 | E | A | -3.2062 | |
| 274 | E | A | -3.5203 | |
| 275 | Y | A | -3.2131 | |
| 276 | K | A | -4.5535 | |
| 277 | D | A | -4.7992 | |
| 278 | E | A | -4.4510 | |
| 279 | V | A | 0.0000 | |
| 280 | E | A | -4.4789 | |
| 281 | E | A | -4.6032 | |
| 282 | I | A | -3.0413 | |
| 283 | R | A | 0.0000 | |
| 284 | K | A | -3.7375 | |
| 285 | K | A | -3.8443 | |
| 286 | D | A | -2.8315 | |
| 287 | Y | A | 0.0000 | |
| 288 | E | A | -2.6179 | |
| 289 | F | A | 0.0000 | |
| 290 | V | A | 0.0000 | |
| 291 | T | A | -1.1373 | |
| 292 | I | A | -0.5661 | |
| 293 | L | A | 0.0000 | |
| 294 | H | A | -1.3989 | |
| 295 | S | A | -1.0073 | |
| 296 | K | A | -1.4718 | |
| 297 | G | A | -1.3171 | |
| 298 | K | A | -1.2588 | |
| 299 | L | A | 0.0000 | |
| 300 | D | A | -0.6491 | |
| 301 | W | A | 0.0000 | |
| 302 | I | A | 0.0000 | |
| 303 | G | A | 0.0000 | |
| 304 | V | A | 0.0000 | |
| 305 | N | A | 0.0000 | |
| 306 | Y | A | 0.0000 | |
| 307 | Y | A | 0.3831 | |
| 308 | S | A | 0.0000 | |
| 309 | R | A | 0.0000 | |
| 310 | L | A | 0.5429 | |
| 311 | V | A | 0.0000 | |
| 312 | Y | A | 0.0000 | |
| 313 | G | A | 0.0000 | |
| 314 | A | A | -1.4330 | |
| 315 | K | A | -2.7737 | |
| 316 | D | A | -3.0395 | |
| 317 | G | A | -2.3578 | |
| 318 | H | A | -2.0745 | |
| 319 | L | A | -1.1339 | |
| 320 | V | A | -0.6135 | |
| 321 | P | A | 0.2114 | |
| 322 | L | A | 0.2581 | |
| 323 | P | A | -0.3385 | |
| 324 | G | A | -0.6763 | |
| 325 | Y | A | -0.2161 | |
| 326 | G | A | 0.0000 | |
| 327 | F | A | 0.8183 | |
| 328 | M | A | 0.0938 | |
| 329 | S | A | 0.0000 | |
| 330 | E | A | -2.7048 | |
| 331 | R | A | -2.7612 | |
| 332 | G | A | -1.5764 | |
| 333 | G | A | -1.1662 | |
| 334 | F | A | -1.2379 | |
| 335 | A | A | 0.0000 | |
| 336 | K | A | -2.1008 | |
| 337 | S | A | -1.1876 | |
| 338 | G | A | 0.0000 | |
| 339 | R | A | -1.1704 | |
| 340 | P | A | 0.0000 | |
| 341 | A | A | 0.0000 | |
| 342 | S | A | 0.0000 | |
| 343 | D | A | -1.6456 | |
| 344 | F | A | -0.6872 | |
| 345 | G | A | 0.0000 | |
| 346 | W | A | 0.1582 | |
| 347 | E | A | 0.0000 | |
| 348 | M | A | 0.0000 | |
| 349 | Y | A | -0.0129 | |
| 350 | P | A | 0.0000 | |
| 351 | E | A | -1.1260 | |
| 352 | G | A | 0.0000 | |
| 353 | L | A | 0.0000 | |
| 354 | E | A | -1.7499 | |
| 355 | N | A | -1.6987 | |
| 356 | L | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | K | A | -2.1874 | |
| 359 | Y | A | -1.0790 | |
| 360 | L | A | 0.0000 | |
| 361 | N | A | -2.0642 | |
| 362 | N | A | -1.9450 | |
| 363 | A | A | -1.2741 | |
| 364 | Y | A | 0.0000 | |
| 365 | E | A | -2.5597 | |
| 366 | L | A | -1.4537 | |
| 367 | P | A | -1.4248 | |
| 368 | M | A | 0.0000 | |
| 369 | I | A | 0.0000 | |
| 370 | I | A | 0.0000 | |
| 371 | T | A | 0.0000 | |
| 372 | E | A | -0.1487 | |
| 373 | N | A | 0.0000 | |
| 374 | G | A | 0.0000 | |
| 375 | M | A | 0.0000 | |
| 376 | A | A | 0.0000 | |
| 377 | D | A | 0.0000 | |
| 378 | A | A | -0.4498 | |
| 379 | A | A | -0.1892 | |
| 380 | D | A | 0.0000 | |
| 381 | R | A | -0.3825 | |
| 382 | Y | A | 0.0000 | |
| 383 | R | A | 0.0000 | |
| 384 | P | A | -0.1136 | |
| 385 | H | A | 0.0000 | |
| 386 | Y | A | 0.0000 | |
| 387 | L | A | 0.0000 | |
| 388 | V | A | 0.0000 | |
| 389 | S | A | 0.0000 | |
| 390 | H | A | 0.0000 | |
| 391 | L | A | 0.0000 | |
| 392 | K | A | -1.0071 | |
| 393 | A | A | 0.0000 | |
| 394 | V | A | 0.0000 | |
| 395 | Y | A | -1.1051 | |
| 396 | N | A | -1.7137 | |
| 397 | A | A | 0.0000 | |
| 398 | M | A | -2.4444 | |
| 399 | K | A | -2.8657 | |
| 400 | E | A | -3.2130 | |
| 401 | G | A | -2.5744 | |
| 402 | A | A | 0.0000 | |
| 403 | D | A | -3.0357 | |
| 404 | V | A | 0.0000 | |
| 405 | R | A | -2.1865 | |
| 406 | G | A | 0.0000 | |
| 407 | Y | A | 0.0000 | |
| 408 | L | A | 0.0000 | |
| 409 | H | A | 0.0000 | |
| 410 | W | A | 0.0000 | |
| 411 | S | A | 0.0000 | |
| 412 | L | A | 0.0000 | |
| 413 | T | A | 0.0000 | |
| 414 | D | A | 0.0000 | |
| 415 | N | A | 0.0000 | |
| 416 | Y | A | 0.0000 | |
| 417 | E | A | -0.6613 | |
| 418 | W | A | -0.1075 | |
| 419 | A | A | -0.3657 | |
| 420 | Q | A | -0.9843 | |
| 421 | G | A | 0.0000 | |
| 422 | F | A | -0.9634 | |
| 423 | R | A | -2.0121 | |
| 424 | M | A | 0.0000 | |
| 425 | R | A | -0.5937 | |
| 426 | F | A | 0.0000 | |
| 427 | G | A | 0.0000 | |
| 428 | L | A | 0.0000 | |
| 429 | V | A | 0.0000 | |
| 430 | Y | A | 0.0000 | |
| 431 | V | A | 0.0000 | |
| 432 | D | A | -1.7682 | |
| 433 | F | A | 0.0000 | |
| 434 | E | A | -2.6021 | |
| 435 | T | A | -1.8348 | |
| 436 | K | A | -1.8584 | |
| 437 | K | A | -2.5465 | |
| 438 | R | A | -1.6487 | |
| 439 | Y | A | -1.1516 | |
| 440 | L | A | -0.2907 | |
| 441 | R | A | 0.0000 | |
| 442 | P | A | 0.0000 | |
| 443 | S | A | 0.0000 | |
| 444 | A | A | 0.0000 | |
| 445 | L | A | 0.0000 | |
| 446 | V | A | 0.0000 | |
| 447 | F | A | 0.0000 | |
| 448 | R | A | -1.4510 | |
| 449 | E | A | -1.3002 | |
| 450 | I | A | 0.0000 | |
| 451 | A | A | 0.0000 | |
| 452 | T | A | -1.4739 | |
| 453 | Q | A | -1.7085 | |
| 454 | K | A | -2.0160 | |
| 455 | E | A | -1.8913 | |
| 456 | I | A | -1.3551 | |
| 457 | P | A | -1.7115 | |
| 458 | E | A | -2.2404 | |
| 459 | E | A | -1.7682 | |
| 460 | L | A | 0.0000 | |
| 461 | A | A | -1.3376 | |
| 462 | H | A | -1.3141 | |
| 463 | L | A | -1.0425 | |
| 464 | A | A | -1.2387 | |
| 465 | D | A | -2.2731 | |
| 466 | L | A | 0.0000 | |
| 467 | K | A | -2.1908 | |
| 468 | F | A | -0.7200 | |
| 469 | V | A | 0.0000 | |
| 470 | T | A | -1.5296 | |
| 471 | R | A | -2.2200 | |
| 1 | A | B | -1.2930 | |
| 2 | K | B | -2.6187 | |
| 3 | F | B | 0.0000 | |
| 4 | P | B | -2.1806 | |
| 5 | K | B | -2.8606 | |
| 6 | N | B | -2.2449 | |
| 7 | F | B | -1.5645 | |
| 8 | M | B | -0.8956 | |
| 9 | F | B | 0.0000 | |
| 10 | G | B | 0.0000 | |
| 11 | Y | B | 0.0000 | |
| 12 | S | B | 0.0000 | |
| 13 | W | B | 0.0000 | |
| 14 | S | B | 0.0000 | |
| 15 | G | B | 0.0000 | |
| 16 | F | B | 0.0000 | |
| 17 | Q | B | 0.0000 | |
| 18 | F | B | 0.0000 | |
| 19 | E | B | 0.0000 | |
| 20 | M | B | 0.0000 | |
| 21 | G | B | 0.0000 | |
| 22 | L | B | -0.7209 | |
| 23 | P | B | -0.6914 | |
| 24 | G | B | -0.8980 | |
| 25 | S | B | 0.0000 | |
| 26 | E | B | -1.4730 | |
| 27 | V | B | -1.2303 | |
| 28 | E | B | -1.5827 | |
| 29 | S | B | 0.0000 | |
| 30 | D | B | 0.0000 | |
| 31 | W | B | 0.0000 | |
| 32 | W | B | -0.1323 | |
| 33 | V | B | 0.1094 | |
| 34 | W | B | 0.0000 | |
| 35 | V | B | 0.0000 | |
| 36 | H | B | -0.3655 | |
| 37 | D | B | -0.7871 | |
| 38 | K | B | -1.5818 | |
| 39 | E | B | -0.7089 | |
| 40 | N | B | 0.0000 | |
| 41 | I | B | -0.0764 | |
| 42 | A | B | -0.1404 | |
| 43 | S | B | 0.0000 | |
| 44 | G | B | -0.4293 | |
| 45 | L | B | 0.0000 | |
| 46 | V | B | 0.0000 | |
| 47 | S | B | -0.4462 | |
| 48 | G | B | -0.7076 | |
| 49 | D | B | -0.8580 | |
| 50 | L | B | -0.1963 | |
| 51 | P | B | 0.0000 | |
| 52 | E | B | -1.4085 | |
| 53 | N | B | -1.7223 | |
| 54 | G | B | 0.0000 | |
| 55 | P | B | 0.0000 | |
| 56 | A | B | 0.0000 | |
| 57 | Y | B | 0.0000 | |
| 58 | W | B | -0.4308 | |
| 59 | H | B | -0.8397 | |
| 60 | L | B | -0.7636 | |
| 61 | Y | B | 0.0000 | |
| 62 | K | B | -2.0330 | |
| 63 | Q | B | -1.8740 | |
| 64 | D | B | 0.0000 | |
| 65 | H | B | 0.0000 | |
| 66 | D | B | -2.4800 | |
| 67 | I | B | 0.0000 | |
| 68 | A | B | 0.0000 | |
| 69 | E | B | -2.3785 | |
| 70 | K | B | -2.7127 | |
| 71 | L | B | 0.0000 | |
| 72 | G | B | -1.7990 | |
| 73 | M | B | 0.0000 | |
| 74 | D | B | -1.0386 | |
| 75 | C | B | 0.0000 | |
| 76 | I | B | 0.0000 | |
| 77 | R | B | 0.0000 | |
| 78 | G | B | 0.0000 | |
| 79 | G | B | 0.0000 | |
| 80 | I | B | 0.0000 | |
| 81 | E | B | 0.0000 | |
| 82 | W | B | 0.0000 | |
| 83 | A | B | 0.0000 | |
| 84 | R | B | -0.9732 | |
| 85 | I | B | 0.0000 | |
| 86 | F | B | 0.0000 | |
| 87 | P | B | -0.9658 | |
| 88 | K | B | -1.3468 | |
| 89 | P | B | -0.5223 | |
| 90 | T | B | 0.0000 | |
| 91 | F | B | -0.2241 | |
| 92 | D | B | -1.7847 | |
| 93 | V | B | -1.4270 | |
| 94 | K | B | -2.2129 | |
| 95 | V | B | -1.6020 | |
| 96 | D | B | -2.5959 | |
| 97 | V | B | -1.3176 | |
| 98 | E | B | -2.2553 | |
| 99 | K | B | -2.2444 | |
| 100 | D | B | -3.1078 | |
| 101 | E | B | -3.5367 | |
| 102 | E | B | -3.2848 | |
| 103 | G | B | 0.0000 | |
| 104 | N | B | -1.7654 | |
| 105 | I | B | 0.0000 | |
| 106 | I | B | 0.5809 | |
| 107 | S | B | -0.8900 | |
| 108 | V | B | -1.3060 | |
| 109 | D | B | -2.5175 | |
| 110 | V | B | 0.0000 | |
| 111 | P | B | -1.9875 | |
| 112 | E | B | -2.4776 | |
| 113 | S | B | -1.8581 | |
| 114 | T | B | 0.0000 | |
| 115 | I | B | 0.0000 | |
| 116 | K | B | -2.5590 | |
| 117 | E | B | -2.5980 | |
| 118 | L | B | 0.0000 | |
| 119 | E | B | -1.7764 | |
| 120 | K | B | -2.2309 | |
| 121 | I | B | -1.1972 | |
| 122 | A | B | -1.3773 | |
| 123 | N | B | -1.6454 | |
| 124 | M | B | -1.5320 | |
| 125 | E | B | -2.5463 | |
| 126 | A | B | -1.8863 | |
| 127 | L | B | 0.0000 | |
| 128 | E | B | -3.1225 | |
| 129 | H | B | -2.2437 | |
| 130 | Y | B | 0.0000 | |
| 131 | R | B | -2.5521 | |
| 132 | K | B | -2.6217 | |
| 133 | I | B | 0.0000 | |
| 134 | Y | B | 0.0000 | |
| 135 | S | B | -1.9760 | |
| 136 | D | B | 0.0000 | |
| 137 | W | B | 0.0000 | |
| 138 | K | B | -2.1215 | |
| 139 | E | B | -2.4753 | |
| 140 | R | B | -1.9912 | |
| 141 | G | B | -1.6947 | |
| 142 | K | B | -1.4939 | |
| 143 | T | B | -0.8018 | |
| 144 | F | B | 0.0000 | |
| 145 | I | B | 0.0000 | |
| 146 | L | B | 0.0000 | |
| 147 | N | B | 0.0000 | |
| 148 | L | B | 0.0000 | |
| 149 | Y | B | 0.0000 | |
| 150 | H | B | 0.0000 | |
| 151 | W | B | 0.1720 | |
| 152 | P | B | 0.0000 | |
| 153 | L | B | 0.0000 | |
| 154 | P | B | 0.0000 | |
| 155 | L | B | 0.5708 | |
| 156 | W | B | 0.3905 | |
| 157 | I | B | 0.0000 | |
| 158 | H | B | 0.0000 | |
| 159 | D | B | -0.1999 | |
| 160 | P | B | 0.0000 | |
| 161 | I | B | 0.1327 | |
| 162 | A | B | -0.1570 | |
| 163 | V | B | 0.0000 | |
| 164 | R | B | 0.0000 | |
| 165 | K | B | -0.1391 | |
| 166 | L | B | -0.4941 | |
| 167 | G | B | 0.0000 | |
| 168 | P | B | -1.3686 | |
| 169 | D | B | -2.2544 | |
| 170 | R | B | -1.6490 | |
| 171 | A | B | -1.0287 | |
| 172 | P | B | -0.6943 | |
| 173 | A | B | 0.0000 | |
| 174 | G | B | 0.0000 | |
| 175 | W | B | 0.0000 | |
| 176 | L | B | 0.0000 | |
| 177 | D | B | -1.7149 | |
| 178 | E | B | -1.6322 | |
| 179 | K | B | -1.4255 | |
| 180 | T | B | 0.0000 | |
| 181 | V | B | 0.0000 | |
| 182 | V | B | 0.0000 | |
| 183 | E | B | 0.0000 | |
| 184 | F | B | 0.0000 | |
| 185 | V | B | 0.0000 | |
| 186 | K | B | 0.0000 | |
| 187 | F | B | 0.0000 | |
| 188 | A | B | 0.0000 | |
| 189 | A | B | 0.0000 | |
| 190 | F | B | 0.0000 | |
| 191 | V | B | 0.0000 | |
| 192 | A | B | 0.0000 | |
| 193 | Y | B | -0.4250 | |
| 194 | H | B | -0.7885 | |
| 195 | L | B | 0.0000 | |
| 196 | D | B | -2.1939 | |
| 197 | D | B | -2.3957 | |
| 198 | L | B | 0.0000 | |
| 199 | V | B | 0.0000 | |
| 200 | D | B | -1.2822 | |
| 201 | M | B | -0.8024 | |
| 202 | W | B | 0.0000 | |
| 203 | S | B | 0.0000 | |
| 204 | T | B | 0.0000 | |
| 205 | M | B | 0.0000 | |
| 206 | N | B | -0.2121 | |
| 207 | E | B | -0.2241 | |
| 208 | P | B | 0.0000 | |
| 209 | N | B | 0.0000 | |
| 210 | V | B | 0.0078 | |
| 211 | V | B | 0.0909 | |
| 212 | Y | B | 0.0000 | |
| 213 | N | B | -0.8284 | |
| 214 | Q | B | -0.7481 | |
| 215 | G | B | 0.0000 | |
| 216 | Y | B | 0.0000 | |
| 217 | I | B | 0.0000 | |
| 218 | N | B | -1.1208 | |
| 219 | L | B | 0.0000 | |
| 220 | R | B | -2.1786 | |
| 221 | S | B | -1.0051 | |
| 222 | G | B | 0.0000 | |
| 223 | F | B | -0.1927 | |
| 224 | P | B | 0.0867 | |
| 225 | P | B | 0.0000 | |
| 226 | G | B | -0.1853 | |
| 227 | Y | B | 0.0000 | |
| 228 | L | B | 0.0000 | |
| 229 | S | B | -0.8343 | |
| 230 | F | B | -1.0989 | |
| 231 | E | B | -2.4244 | |
| 232 | A | B | 0.0000 | |
| 233 | A | B | 0.0000 | |
| 234 | E | B | -2.6505 | |
| 235 | K | B | -2.2090 | |
| 236 | A | B | 0.0000 | |
| 237 | K | B | -1.0903 | |
| 238 | F | B | -0.3306 | |
| 239 | N | B | 0.0000 | |
| 240 | L | B | 0.0000 | |
| 241 | I | B | 0.0000 | |
| 242 | Q | B | 0.0000 | |
| 243 | A | B | 0.0000 | |
| 244 | H | B | 0.0000 | |
| 245 | I | B | -0.4062 | |
| 246 | G | B | 0.0000 | |
| 247 | A | B | 0.0000 | |
| 248 | Y | B | 0.0000 | |
| 249 | D | B | -2.7781 | |
| 250 | A | B | 0.0000 | |
| 251 | I | B | 0.0000 | |
| 252 | K | B | -3.7382 | |
| 253 | E | B | -3.2527 | |
| 254 | Y | B | -2.0933 | |
| 255 | S | B | -2.5089 | |
| 256 | E | B | -3.1272 | |
| 257 | K | B | -2.2858 | |
| 258 | S | B | -1.3160 | |
| 259 | V | B | 0.0000 | |
| 260 | G | B | 0.0000 | |
| 261 | V | B | 0.0000 | |
| 262 | I | B | 0.0000 | |
| 263 | Y | B | 0.0000 | |
| 264 | A | B | -0.1201 | |
| 265 | F | B | 0.0000 | |
| 266 | A | B | 0.0609 | |
| 267 | W | B | 0.0000 | |
| 268 | H | B | 0.0000 | |
| 269 | D | B | -0.1844 | |
| 270 | P | B | -1.2901 | |
| 271 | L | B | 0.2576 | |
| 272 | A | B | -1.3190 | |
| 273 | E | B | -3.3580 | |
| 274 | E | B | -3.6616 | |
| 275 | Y | B | -3.1011 | |
| 276 | K | B | -4.4260 | |
| 277 | D | B | -4.7615 | |
| 278 | E | B | -4.4505 | |
| 279 | V | B | 0.0000 | |
| 280 | E | B | -4.7212 | |
| 281 | E | B | -4.5352 | |
| 282 | I | B | -2.8549 | |
| 283 | R | B | -3.1153 | |
| 284 | K | B | -3.9298 | |
| 285 | K | B | -3.6150 | |
| 286 | D | B | -2.4230 | |
| 287 | Y | B | 0.0000 | |
| 288 | E | B | -1.6235 | |
| 289 | F | B | 0.0000 | |
| 290 | V | B | 0.0000 | |
| 291 | T | B | -0.9559 | |
| 292 | I | B | -0.4359 | |
| 293 | L | B | 0.0000 | |
| 294 | H | B | -1.4775 | |
| 295 | S | B | -1.2645 | |
| 296 | K | B | -2.1738 | |
| 297 | G | B | -1.7600 | |
| 298 | K | B | -1.6371 | |
| 299 | L | B | 0.0000 | |
| 300 | D | B | -0.9322 | |
| 301 | W | B | 0.0000 | |
| 302 | I | B | 0.0000 | |
| 303 | G | B | 0.0000 | |
| 304 | V | B | 0.0000 | |
| 305 | N | B | 0.0000 | |
| 306 | Y | B | 0.0000 | |
| 307 | Y | B | 0.3377 | |
| 308 | S | B | 0.0000 | |
| 309 | R | B | 0.0000 | |
| 310 | L | B | 0.9046 | |
| 311 | V | B | 0.0000 | |
| 312 | Y | B | 0.7297 | |
| 313 | G | B | 0.0000 | |
| 314 | A | B | -0.7530 | |
| 315 | K | B | -2.5051 | |
| 316 | D | B | -2.9146 | |
| 317 | G | B | -2.0456 | |
| 318 | H | B | -1.9393 | |
| 319 | L | B | -0.2598 | |
| 320 | V | B | 1.1980 | |
| 321 | P | B | 1.3880 | |
| 322 | L | B | 1.1706 | |
| 323 | P | B | 0.0496 | |
| 324 | G | B | -0.4207 | |
| 325 | Y | B | 0.1914 | |
| 326 | G | B | 0.0000 | |
| 327 | F | B | 1.0347 | |
| 328 | M | B | 0.4089 | |
| 329 | S | B | 0.0000 | |
| 330 | E | B | -2.2812 | |
| 331 | R | B | -2.5755 | |
| 332 | G | B | -1.6798 | |
| 333 | G | B | -1.0015 | |
| 334 | F | B | -0.2125 | |
| 335 | A | B | 0.0000 | |
| 336 | K | B | -1.5083 | |
| 337 | S | B | -1.0142 | |
| 338 | G | B | -1.0444 | |
| 339 | R | B | -0.7466 | |
| 340 | P | B | 0.0000 | |
| 341 | A | B | 0.0000 | |
| 342 | S | B | 0.0000 | |
| 343 | D | B | -1.5132 | |
| 344 | F | B | -1.0236 | |
| 345 | G | B | 0.0000 | |
| 346 | W | B | 0.2434 | |
| 347 | E | B | 0.0000 | |
| 348 | M | B | 0.0000 | |
| 349 | Y | B | 0.0171 | |
| 350 | P | B | 0.0000 | |
| 351 | E | B | -1.4460 | |
| 352 | G | B | 0.0000 | |
| 353 | L | B | 0.0000 | |
| 354 | E | B | -1.8898 | |
| 355 | N | B | -1.9203 | |
| 356 | L | B | 0.0000 | |
| 357 | L | B | 0.0000 | |
| 358 | K | B | -2.2258 | |
| 359 | Y | B | -1.1210 | |
| 360 | L | B | 0.0000 | |
| 361 | N | B | -2.0238 | |
| 362 | N | B | -1.9440 | |
| 363 | A | B | -1.0048 | |
| 364 | Y | B | -1.2433 | |
| 365 | E | B | -2.3784 | |
| 366 | L | B | 0.0000 | |
| 367 | P | B | -1.1151 | |
| 368 | M | B | 0.0000 | |
| 369 | I | B | 0.0000 | |
| 370 | I | B | 0.0000 | |
| 371 | T | B | 0.0000 | |
| 372 | E | B | -0.1679 | |
| 373 | N | B | 0.0000 | |
| 374 | G | B | 0.0000 | |
| 375 | M | B | 0.0000 | |
| 376 | A | B | 0.0000 | |
| 377 | D | B | 0.0000 | |
| 378 | A | B | -0.2038 | |
| 379 | A | B | 0.0000 | |
| 380 | D | B | 0.0000 | |
| 381 | R | B | -0.1965 | |
| 382 | Y | B | 0.0025 | |
| 383 | R | B | 0.0000 | |
| 384 | P | B | 0.0000 | |
| 385 | H | B | 0.0000 | |
| 386 | Y | B | 0.0000 | |
| 387 | L | B | 0.0000 | |
| 388 | V | B | 0.0000 | |
| 389 | S | B | 0.0000 | |
| 390 | H | B | 0.0000 | |
| 391 | L | B | 0.0000 | |
| 392 | K | B | -1.1278 | |
| 393 | A | B | 0.0000 | |
| 394 | V | B | 0.0000 | |
| 395 | Y | B | -1.2076 | |
| 396 | N | B | -2.0201 | |
| 397 | A | B | 0.0000 | |
| 398 | M | B | -2.0589 | |
| 399 | K | B | -2.9214 | |
| 400 | E | B | -3.2017 | |
| 401 | G | B | -2.4809 | |
| 402 | A | B | 0.0000 | |
| 403 | D | B | -2.1323 | |
| 404 | V | B | 0.0000 | |
| 405 | R | B | -1.5352 | |
| 406 | G | B | 0.0000 | |
| 407 | Y | B | 0.0000 | |
| 408 | L | B | 0.0000 | |
| 409 | H | B | 0.0000 | |
| 410 | W | B | 0.0000 | |
| 411 | S | B | 0.0000 | |
| 412 | L | B | 0.0000 | |
| 413 | T | B | 0.0000 | |
| 414 | D | B | 0.0000 | |
| 415 | N | B | 0.0000 | |
| 416 | Y | B | 0.0000 | |
| 417 | E | B | -0.5651 | |
| 418 | W | B | -0.0255 | |
| 419 | A | B | -0.4300 | |
| 420 | Q | B | -0.8019 | |
| 421 | G | B | 0.0000 | |
| 422 | F | B | -0.9404 | |
| 423 | R | B | -1.9126 | |
| 424 | M | B | 0.0000 | |
| 425 | R | B | -0.6058 | |
| 426 | F | B | 0.0000 | |
| 427 | G | B | 0.0000 | |
| 428 | L | B | 0.0000 | |
| 429 | V | B | 0.0000 | |
| 430 | Y | B | -0.2840 | |
| 431 | V | B | 0.0000 | |
| 432 | D | B | -1.4043 | |
| 433 | F | B | -1.4883 | |
| 434 | E | B | -2.3042 | |
| 435 | T | B | -1.5648 | |
| 436 | K | B | -1.4741 | |
| 437 | K | B | -1.8779 | |
| 438 | R | B | -1.0000 | |
| 439 | Y | B | 0.0000 | |
| 440 | L | B | -0.1665 | |
| 441 | R | B | 0.0000 | |
| 442 | P | B | 0.0000 | |
| 443 | S | B | 0.0000 | |
| 444 | A | B | 0.0000 | |
| 445 | L | B | -0.5352 | |
| 446 | V | B | 0.0000 | |
| 447 | F | B | 0.0000 | |
| 448 | R | B | -2.3222 | |
| 449 | E | B | -2.0252 | |
| 450 | I | B | 0.0000 | |
| 451 | A | B | 0.0000 | |
| 452 | T | B | -1.4822 | |
| 453 | Q | B | -2.1484 | |
| 454 | K | B | -2.8189 | |
| 455 | E | B | -2.1250 | |
| 456 | I | B | -1.4276 | |
| 457 | P | B | 0.0000 | |
| 458 | E | B | -2.3574 | |
| 459 | E | B | -2.1421 | |
| 460 | L | B | 0.0000 | |
| 461 | A | B | -1.2285 | |
| 462 | H | B | -1.0600 | |
| 463 | L | B | 0.0000 | |
| 464 | A | B | -1.0042 | |
| 465 | D | B | -1.7726 | |
| 466 | L | B | 0.0000 | |
| 467 | K | B | -2.0365 | |
| 468 | F | B | -0.6950 | |
| 469 | V | B | 0.0000 | |
| 470 | T | B | -1.3141 | |
| 471 | R | B | -1.8781 | |
| 1 | A | C | -1.4719 | |
| 2 | K | C | -2.6414 | |
| 3 | F | C | 0.0000 | |
| 4 | P | C | -2.0412 | |
| 5 | K | C | -3.0347 | |
| 6 | N | C | -2.4909 | |
| 7 | F | C | 0.0000 | |
| 8 | M | C | 0.0000 | |
| 9 | F | C | 0.0000 | |
| 10 | G | C | 0.0000 | |
| 11 | Y | C | 0.0000 | |
| 12 | S | C | 0.0000 | |
| 13 | W | C | 0.0000 | |
| 14 | S | C | 0.0000 | |
| 15 | G | C | -0.0488 | |
| 16 | F | C | 0.0000 | |
| 17 | Q | C | 0.0000 | |
| 18 | F | C | 0.0000 | |
| 19 | E | C | 0.0000 | |
| 20 | M | C | 0.0000 | |
| 21 | G | C | 0.0000 | |
| 22 | L | C | -0.7526 | |
| 23 | P | C | -1.0807 | |
| 24 | G | C | -1.0616 | |
| 25 | S | C | 0.0000 | |
| 26 | E | C | -2.4884 | |
| 27 | V | C | -1.5845 | |
| 28 | E | C | -1.9570 | |
| 29 | S | C | 0.0000 | |
| 30 | D | C | 0.0000 | |
| 31 | W | C | 0.0000 | |
| 32 | W | C | -0.4523 | |
| 33 | V | C | -0.0604 | |
| 34 | W | C | 0.0000 | |
| 35 | V | C | 0.0000 | |
| 36 | H | C | -0.9764 | |
| 37 | D | C | 0.0000 | |
| 38 | K | C | -1.4856 | |
| 39 | E | C | -0.4982 | |
| 40 | N | C | 0.0000 | |
| 41 | I | C | 0.0737 | |
| 42 | A | C | 0.0465 | |
| 43 | S | C | 0.0000 | |
| 44 | G | C | -0.4397 | |
| 45 | L | C | 0.0000 | |
| 46 | V | C | 0.0000 | |
| 47 | S | C | -0.4356 | |
| 48 | G | C | -0.7249 | |
| 49 | D | C | -1.0106 | |
| 50 | L | C | -0.9698 | |
| 51 | P | C | 0.0000 | |
| 52 | E | C | -2.3004 | |
| 53 | N | C | -1.7043 | |
| 54 | G | C | 0.0000 | |
| 55 | P | C | 0.0000 | |
| 56 | A | C | 0.0000 | |
| 57 | Y | C | 0.0000 | |
| 58 | W | C | -0.2374 | |
| 59 | H | C | -0.3886 | |
| 60 | L | C | -0.2225 | |
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| 62 | K | C | -1.7172 | |
| 63 | Q | C | -1.3386 | |
| 64 | D | C | 0.0000 | |
| 65 | H | C | 0.0000 | |
| 66 | D | C | -1.9369 | |
| 67 | I | C | -1.3111 | |
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| 69 | E | C | -2.1633 | |
| 70 | K | C | -2.5868 | |
| 71 | L | C | 0.0000 | |
| 72 | G | C | -1.8350 | |
| 73 | M | C | 0.0000 | |
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| 76 | I | C | 0.0000 | |
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| 80 | I | C | 0.0000 | |
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| 100 | D | C | -3.8970 | |
| 101 | E | C | -3.9075 | |
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| 103 | G | C | -2.6953 | |
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| 105 | I | C | 0.0000 | |
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| 107 | S | C | -0.6279 | |
| 108 | V | C | -1.7122 | |
| 109 | D | C | -2.8858 | |
| 110 | V | C | 0.0000 | |
| 111 | P | C | -2.2117 | |
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| 113 | S | C | -2.0655 | |
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| 115 | I | C | 0.0000 | |
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| 126 | A | C | 0.0000 | |
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| 130 | Y | C | 0.0000 | |
| 131 | R | C | -2.3317 | |
| 132 | K | C | -2.6597 | |
| 133 | I | C | 0.0000 | |
| 134 | Y | C | 0.0000 | |
| 135 | S | C | -1.9133 | |
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| 140 | R | C | -2.0490 | |
| 141 | G | C | -1.6559 | |
| 142 | K | C | -1.4484 | |
| 143 | T | C | -0.6773 | |
| 144 | F | C | 0.0000 | |
| 145 | I | C | 0.0000 | |
| 146 | L | C | 0.0000 | |
| 147 | N | C | 0.0000 | |
| 148 | L | C | 0.0000 | |
| 149 | Y | C | 0.0000 | |
| 150 | H | C | -0.0943 | |
| 151 | W | C | 0.0700 | |
| 152 | P | C | 0.0000 | |
| 153 | L | C | 0.0000 | |
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| 155 | L | C | -0.3381 | |
| 156 | W | C | -0.3794 | |
| 157 | I | C | 0.0000 | |
| 158 | H | C | 0.0000 | |
| 159 | D | C | -0.1129 | |
| 160 | P | C | 0.0000 | |
| 161 | I | C | -0.0862 | |
| 162 | A | C | -0.8475 | |
| 163 | V | C | 0.0000 | |
| 164 | R | C | 0.0000 | |
| 165 | K | C | -1.0007 | |
| 166 | L | C | -0.8865 | |
| 167 | G | C | 0.0000 | |
| 168 | P | C | -1.5989 | |
| 169 | D | C | -2.6057 | |
| 170 | R | C | -2.6429 | |
| 171 | A | C | -1.6307 | |
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| 174 | G | C | 0.0000 | |
| 175 | W | C | 0.0000 | |
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| 177 | D | C | -2.0836 | |
| 178 | E | C | -2.7456 | |
| 179 | K | C | -2.6499 | |
| 180 | T | C | 0.0000 | |
| 181 | V | C | 0.0000 | |
| 182 | V | C | -0.8994 | |
| 183 | E | C | 0.0000 | |
| 184 | F | C | 0.0000 | |
| 185 | V | C | 0.0000 | |
| 186 | K | C | 0.0000 | |
| 187 | F | C | 0.0000 | |
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| 190 | F | C | 0.0000 | |
| 191 | V | C | 0.0000 | |
| 192 | A | C | 0.0000 | |
| 193 | Y | C | -0.7168 | |
| 194 | H | C | -0.8223 | |
| 195 | L | C | 0.0000 | |
| 196 | D | C | -1.7296 | |
| 197 | D | C | -2.4912 | |
| 198 | L | C | 0.0000 | |
| 199 | V | C | 0.0000 | |
| 200 | D | C | -1.3925 | |
| 201 | M | C | -0.6486 | |
| 202 | W | C | 0.0000 | |
| 203 | S | C | 0.0000 | |
| 204 | T | C | 0.0000 | |
| 205 | M | C | 0.0000 | |
| 206 | N | C | 0.0000 | |
| 207 | E | C | -0.1242 | |
| 208 | P | C | 0.0000 | |
| 209 | N | C | 0.0000 | |
| 210 | V | C | -0.1303 | |
| 211 | V | C | 0.0000 | |
| 212 | Y | C | 0.0000 | |
| 213 | N | C | -0.7086 | |
| 214 | Q | C | -0.7758 | |
| 215 | G | C | 0.0000 | |
| 216 | Y | C | 0.0000 | |
| 217 | I | C | -0.2954 | |
| 218 | N | C | -1.1506 | |
| 219 | L | C | 0.0000 | |
| 220 | R | C | -2.5436 | |
| 221 | S | C | -1.3852 | |
| 222 | G | C | 0.0000 | |
| 223 | F | C | 0.0000 | |
| 224 | P | C | 0.0000 | |
| 225 | P | C | 0.0000 | |
| 226 | G | C | 0.0000 | |
| 227 | Y | C | -0.0259 | |
| 228 | L | C | 0.0000 | |
| 229 | S | C | 0.0000 | |
| 230 | F | C | -0.9054 | |
| 231 | E | C | -2.2893 | |
| 232 | A | C | 0.0000 | |
| 233 | A | C | 0.0000 | |
| 234 | E | C | -2.6330 | |
| 235 | K | C | -2.2396 | |
| 236 | A | C | 0.0000 | |
| 237 | K | C | -0.8181 | |
| 238 | F | C | -0.2775 | |
| 239 | N | C | 0.0000 | |
| 240 | L | C | 0.0000 | |
| 241 | I | C | 0.0000 | |
| 242 | Q | C | 0.0000 | |
| 243 | A | C | 0.0000 | |
| 244 | H | C | 0.0000 | |
| 245 | I | C | 0.0000 | |
| 246 | G | C | 0.0000 | |
| 247 | A | C | 0.0000 | |
| 248 | Y | C | -0.6089 | |
| 249 | D | C | -1.1839 | |
| 250 | A | C | 0.0000 | |
| 251 | I | C | 0.0000 | |
| 252 | K | C | -2.1381 | |
| 253 | E | C | -2.6306 | |
| 254 | Y | C | -1.5553 | |
| 255 | S | C | 0.0000 | |
| 256 | E | C | -2.7405 | |
| 257 | K | C | -1.8116 | |
| 258 | S | C | -0.9135 | |
| 259 | V | C | 0.0000 | |
| 260 | G | C | 0.0000 | |
| 261 | V | C | 0.0000 | |
| 262 | I | C | 0.0000 | |
| 263 | Y | C | 0.0000 | |
| 264 | A | C | -0.0252 | |
| 265 | F | C | 0.0000 | |
| 266 | A | C | 0.0469 | |
| 267 | W | C | 0.0000 | |
| 268 | H | C | 0.0000 | |
| 269 | D | C | -0.4678 | |
| 270 | P | C | -1.0931 | |
| 271 | L | C | 0.6139 | |
| 272 | A | C | -0.8994 | |
| 273 | E | C | -2.9677 | |
| 274 | E | C | -3.2822 | |
| 275 | Y | C | -2.8276 | |
| 276 | K | C | -4.0517 | |
| 277 | D | C | -4.6131 | |
| 278 | E | C | -4.4647 | |
| 279 | V | C | 0.0000 | |
| 280 | E | C | -4.5553 | |
| 281 | E | C | -4.5818 | |
| 282 | I | C | -2.9985 | |
| 283 | R | C | -3.2697 | |
| 284 | K | C | -4.1142 | |
| 285 | K | C | -3.6433 | |
| 286 | D | C | -2.4180 | |
| 287 | Y | C | 0.0000 | |
| 288 | E | C | -1.9486 | |
| 289 | F | C | 0.0000 | |
| 290 | V | C | 0.0000 | |
| 291 | T | C | -0.9453 | |
| 292 | I | C | -0.4575 | |
| 293 | L | C | 0.0000 | |
| 294 | H | C | -1.2860 | |
| 295 | S | C | -0.9487 | |
| 296 | K | C | -1.1643 | |
| 297 | G | C | -1.4076 | |
| 298 | K | C | -1.3076 | |
| 299 | L | C | 0.0000 | |
| 300 | D | C | -0.7224 | |
| 301 | W | C | 0.0000 | |
| 302 | I | C | 0.0000 | |
| 303 | G | C | 0.0000 | |
| 304 | V | C | 0.0000 | |
| 305 | N | C | 0.0000 | |
| 306 | Y | C | 0.0000 | |
| 307 | Y | C | 0.3263 | |
| 308 | S | C | 0.0000 | |
| 309 | R | C | 0.2396 | |
| 310 | L | C | 0.5966 | |
| 311 | V | C | 0.0000 | |
| 312 | Y | C | 0.0000 | |
| 313 | G | C | 0.0000 | |
| 314 | A | C | -1.2785 | |
| 315 | K | C | -2.2413 | |
| 316 | D | C | -2.8266 | |
| 317 | G | C | -2.2905 | |
| 318 | H | C | -2.1433 | |
| 319 | L | C | 0.0000 | |
| 320 | V | C | -0.0152 | |
| 321 | P | C | 0.4723 | |
| 322 | L | C | 0.6062 | |
| 323 | P | C | -0.3732 | |
| 324 | G | C | -0.8241 | |
| 325 | Y | C | -0.1856 | |
| 326 | G | C | 0.0000 | |
| 327 | F | C | 0.6202 | |
| 328 | M | C | 0.0216 | |
| 329 | S | C | 0.0000 | |
| 330 | E | C | -2.7597 | |
| 331 | R | C | -2.7908 | |
| 332 | G | C | -1.7606 | |
| 333 | G | C | -1.3098 | |
| 334 | F | C | -1.0439 | |
| 335 | A | C | 0.0000 | |
| 336 | K | C | -2.1488 | |
| 337 | S | C | -1.2242 | |
| 338 | G | C | 0.0000 | |
| 339 | R | C | -1.1421 | |
| 340 | P | C | 0.0000 | |
| 341 | A | C | 0.0000 | |
| 342 | S | C | 0.0000 | |
| 343 | D | C | -1.9127 | |
| 344 | F | C | -1.0751 | |
| 345 | G | C | 0.0000 | |
| 346 | W | C | -0.0433 | |
| 347 | E | C | 0.0000 | |
| 348 | M | C | 0.0000 | |
| 349 | Y | C | -0.1153 | |
| 350 | P | C | 0.0000 | |
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| 352 | G | C | 0.0000 | |
| 353 | L | C | 0.0000 | |
| 354 | E | C | -1.0318 | |
| 355 | N | C | -1.1971 | |
| 356 | L | C | 0.0000 | |
| 357 | L | C | 0.0000 | |
| 358 | K | C | -1.7863 | |
| 359 | Y | C | -0.9435 | |
| 360 | L | C | 0.0000 | |
| 361 | N | C | -2.3806 | |
| 362 | N | C | -2.0206 | |
| 363 | A | C | -1.2099 | |
| 364 | Y | C | 0.0000 | |
| 365 | E | C | -2.5718 | |
| 366 | L | C | -1.3714 | |
| 367 | P | C | -1.1841 | |
| 368 | M | C | 0.0000 | |
| 369 | I | C | 0.0000 | |
| 370 | I | C | 0.0000 | |
| 371 | T | C | 0.0000 | |
| 372 | E | C | 0.0000 | |
| 373 | N | C | 0.0000 | |
| 374 | G | C | 0.0000 | |
| 375 | M | C | 0.0000 | |
| 376 | A | C | 0.0000 | |
| 377 | D | C | 0.0000 | |
| 378 | A | C | -0.4041 | |
| 379 | A | C | -0.2385 | |
| 380 | D | C | -0.2387 | |
| 381 | R | C | -0.4583 | |
| 382 | Y | C | 0.0000 | |
| 383 | R | C | 0.0000 | |
| 384 | P | C | 0.0000 | |
| 385 | H | C | 0.0000 | |
| 386 | Y | C | 0.0000 | |
| 387 | L | C | 0.0000 | |
| 388 | V | C | 0.0000 | |
| 389 | S | C | 0.0000 | |
| 390 | H | C | 0.0000 | |
| 391 | L | C | 0.0000 | |
| 392 | K | C | -1.0851 | |
| 393 | A | C | 0.0000 | |
| 394 | V | C | 0.0000 | |
| 395 | Y | C | -1.0705 | |
| 396 | N | C | -1.5123 | |
| 397 | A | C | 0.0000 | |
| 398 | M | C | -2.1250 | |
| 399 | K | C | -2.8616 | |
| 400 | E | C | -3.1618 | |
| 401 | G | C | -2.7996 | |
| 402 | A | C | 0.0000 | |
| 403 | D | C | -2.4396 | |
| 404 | V | C | 0.0000 | |
| 405 | R | C | -1.9079 | |
| 406 | G | C | 0.0000 | |
| 407 | Y | C | 0.0000 | |
| 408 | L | C | 0.0000 | |
| 409 | H | C | 0.0000 | |
| 410 | W | C | 0.0000 | |
| 411 | S | C | 0.0000 | |
| 412 | L | C | 0.0000 | |
| 413 | T | C | 0.0000 | |
| 414 | D | C | 0.0000 | |
| 415 | N | C | 0.0000 | |
| 416 | Y | C | 0.0000 | |
| 417 | E | C | -0.5639 | |
| 418 | W | C | 0.0000 | |
| 419 | A | C | -0.3781 | |
| 420 | Q | C | -0.8517 | |
| 421 | G | C | 0.0000 | |
| 422 | F | C | -0.8046 | |
| 423 | R | C | -1.8647 | |
| 424 | M | C | 0.0000 | |
| 425 | R | C | 0.0000 | |
| 426 | F | C | 0.1702 | |
| 427 | G | C | 0.0000 | |
| 428 | L | C | 0.0000 | |
| 429 | V | C | 0.0000 | |
| 430 | Y | C | -0.1776 | |
| 431 | V | C | 0.0000 | |
| 432 | D | C | -1.3043 | |
| 433 | F | C | -1.4115 | |
| 434 | E | C | -2.1379 | |
| 435 | T | C | -1.4742 | |
| 436 | K | C | 0.0000 | |
| 437 | K | C | -1.6667 | |
| 438 | R | C | 0.0000 | |
| 439 | Y | C | 0.0000 | |
| 440 | L | C | -0.0634 | |
| 441 | R | C | 0.0000 | |
| 442 | P | C | 0.0000 | |
| 443 | S | C | 0.0000 | |
| 444 | A | C | 0.0000 | |
| 445 | L | C | -0.4419 | |
| 446 | V | C | 0.0000 | |
| 447 | F | C | 0.0000 | |
| 448 | R | C | -2.3484 | |
| 449 | E | C | -1.5571 | |
| 450 | I | C | 0.0000 | |
| 451 | A | C | 0.0000 | |
| 452 | T | C | -1.8478 | |
| 453 | Q | C | -2.2805 | |
| 454 | K | C | -2.4779 | |
| 455 | E | C | -2.3805 | |
| 456 | I | C | 0.0000 | |
| 457 | P | C | -1.8665 | |
| 458 | E | C | -2.5538 | |
| 459 | E | C | -2.0980 | |
| 460 | L | C | 0.0000 | |
| 461 | A | C | -1.3459 | |
| 462 | H | C | -1.3315 | |
| 463 | L | C | 0.0000 | |
| 464 | A | C | -1.1875 | |
| 465 | D | C | -2.1392 | |
| 466 | L | C | 0.0000 | |
| 467 | K | C | -2.2824 | |
| 468 | F | C | -0.9520 | |
| 469 | V | C | 0.0000 | |
| 470 | T | C | -1.5489 | |
| 471 | R | C | -2.2648 | |
| 1 | A | D | -1.0038 | |
| 2 | K | D | -2.3191 | |
| 3 | F | D | -1.6914 | |
| 4 | P | D | -1.8979 | |
| 5 | K | D | -2.7000 | |
| 6 | N | D | -2.3906 | |
| 7 | F | D | 0.0000 | |
| 8 | M | D | -0.9795 | |
| 9 | F | D | 0.0000 | |
| 10 | G | D | 0.0000 | |
| 11 | Y | D | 0.0000 | |
| 12 | S | D | 0.0000 | |
| 13 | W | D | 0.0000 | |
| 14 | S | D | 0.0000 | |
| 15 | G | D | 0.0000 | |
| 16 | F | D | 0.0000 | |
| 17 | Q | D | 0.0000 | |
| 18 | F | D | 0.0000 | |
| 19 | E | D | 0.0000 | |
| 20 | M | D | 0.0000 | |
| 21 | G | D | -0.8361 | |
| 22 | L | D | -0.0298 | |
| 23 | P | D | -0.7712 | |
| 24 | G | D | -1.0774 | |
| 25 | S | D | 0.0000 | |
| 26 | E | D | -2.4005 | |
| 27 | V | D | 0.0000 | |
| 28 | E | D | -2.0149 | |
| 29 | S | D | 0.0000 | |
| 30 | D | D | 0.0000 | |
| 31 | W | D | 0.0000 | |
| 32 | W | D | -0.1733 | |
| 33 | V | D | 0.1956 | |
| 34 | W | D | 0.0000 | |
| 35 | V | D | 0.0000 | |
| 36 | H | D | -0.4174 | |
| 37 | D | D | -0.9466 | |
| 38 | K | D | -1.7231 | |
| 39 | E | D | -0.7512 | |
| 40 | N | D | 0.0000 | |
| 41 | I | D | -0.3329 | |
| 42 | A | D | -0.3051 | |
| 43 | S | D | 0.0000 | |
| 44 | G | D | -1.1405 | |
| 45 | L | D | 0.0000 | |
| 46 | V | D | 0.0000 | |
| 47 | S | D | -0.3964 | |
| 48 | G | D | -0.5484 | |
| 49 | D | D | -0.4805 | |
| 50 | L | D | 0.1566 | |
| 51 | P | D | 0.0000 | |
| 52 | E | D | -1.2580 | |
| 53 | N | D | -1.6692 | |
| 54 | G | D | 0.0000 | |
| 55 | P | D | 0.0000 | |
| 56 | A | D | 0.0000 | |
| 57 | Y | D | 0.0000 | |
| 58 | W | D | 0.0000 | |
| 59 | H | D | -0.4307 | |
| 60 | L | D | -0.3474 | |
| 61 | Y | D | 0.0000 | |
| 62 | K | D | -2.6789 | |
| 63 | Q | D | -2.5156 | |
| 64 | D | D | -1.9781 | |
| 65 | H | D | 0.0000 | |
| 66 | D | D | -3.2175 | |
| 67 | I | D | -1.9429 | |
| 68 | A | D | 0.0000 | |
| 69 | E | D | -2.3475 | |
| 70 | K | D | -2.3209 | |
| 71 | L | D | 0.0000 | |
| 72 | G | D | -1.5127 | |
| 73 | M | D | 0.0000 | |
| 74 | D | D | -1.1225 | |
| 75 | C | D | 0.0000 | |
| 76 | I | D | 0.0000 | |
| 77 | R | D | 0.0000 | |
| 78 | G | D | 0.0000 | |
| 79 | G | D | 0.0000 | |
| 80 | I | D | 0.0000 | |
| 81 | E | D | 0.0000 | |
| 82 | W | D | 0.0000 | |
| 83 | A | D | 0.0000 | |
| 84 | R | D | 0.0000 | |
| 85 | I | D | 0.0000 | |
| 86 | F | D | 0.0000 | |
| 87 | P | D | -1.3372 | |
| 88 | K | D | -1.6567 | |
| 89 | P | D | -0.8662 | |
| 90 | T | D | 0.0000 | |
| 91 | F | D | -0.8494 | |
| 92 | D | D | -1.9613 | |
| 93 | V | D | 0.0000 | |
| 94 | K | D | -2.4556 | |
| 95 | V | D | 0.0000 | |
| 96 | D | D | -3.0597 | |
| 97 | V | D | -1.8384 | |
| 98 | E | D | -2.2405 | |
| 99 | K | D | -2.0052 | |
| 100 | D | D | -2.8049 | |
| 101 | E | D | -3.4425 | |
| 102 | E | D | -3.1857 | |
| 103 | G | D | -2.4202 | |
| 104 | N | D | -1.3131 | |
| 105 | I | D | -0.0883 | |
| 106 | I | D | 0.9967 | |
| 107 | S | D | -0.6214 | |
| 108 | V | D | -1.6225 | |
| 109 | D | D | -3.1060 | |
| 110 | V | D | -2.1535 | |
| 111 | P | D | -2.1846 | |
| 112 | E | D | -2.5635 | |
| 113 | S | D | -2.0305 | |
| 114 | T | D | 0.0000 | |
| 115 | I | D | 0.0000 | |
| 116 | K | D | -3.1601 | |
| 117 | E | D | -3.2268 | |
| 118 | L | D | 0.0000 | |
| 119 | E | D | -2.4157 | |
| 120 | K | D | -2.5846 | |
| 121 | I | D | -1.6599 | |
| 122 | A | D | -1.3586 | |
| 123 | N | D | -1.5638 | |
| 124 | M | D | -1.6363 | |
| 125 | E | D | -2.4458 | |
| 126 | A | D | 0.0000 | |
| 127 | L | D | 0.0000 | |
| 128 | E | D | -3.0850 | |
| 129 | H | D | -2.2835 | |
| 130 | Y | D | 0.0000 | |
| 131 | R | D | -2.2467 | |
| 132 | K | D | -2.6011 | |
| 133 | I | D | 0.0000 | |
| 134 | Y | D | 0.0000 | |
| 135 | S | D | -2.1551 | |
| 136 | D | D | -2.0693 | |
| 137 | W | D | 0.0000 | |
| 138 | K | D | -2.3493 | |
| 139 | E | D | -2.6723 | |
| 140 | R | D | -2.3692 | |
| 141 | G | D | -1.8234 | |
| 142 | K | D | -1.6147 | |
| 143 | T | D | -0.7152 | |
| 144 | F | D | 0.0000 | |
| 145 | I | D | 0.0000 | |
| 146 | L | D | 0.0000 | |
| 147 | N | D | 0.0000 | |
| 148 | L | D | 0.0000 | |
| 149 | Y | D | 0.0000 | |
| 150 | H | D | 0.0000 | |
| 151 | W | D | 0.0000 | |
| 152 | P | D | 0.0000 | |
| 153 | L | D | 0.0000 | |
| 154 | P | D | 0.0000 | |
| 155 | L | D | -0.1976 | |
| 156 | W | D | -0.0791 | |
| 157 | I | D | 0.0000 | |
| 158 | H | D | 0.0000 | |
| 159 | D | D | -0.3241 | |
| 160 | P | D | 0.0000 | |
| 161 | I | D | 0.1452 | |
| 162 | A | D | -0.3786 | |
| 163 | V | D | 0.0000 | |
| 164 | R | D | 0.0000 | |
| 165 | K | D | -0.5388 | |
| 166 | L | D | -0.7855 | |
| 167 | G | D | -1.1639 | |
| 168 | P | D | -1.5977 | |
| 169 | D | D | -2.6966 | |
| 170 | R | D | -2.6241 | |
| 171 | A | D | -1.4940 | |
| 172 | P | D | -1.0064 | |
| 173 | A | D | 0.0000 | |
| 174 | G | D | 0.0000 | |
| 175 | W | D | 0.0000 | |
| 176 | L | D | 0.0000 | |
| 177 | D | D | -2.4184 | |
| 178 | E | D | -2.8287 | |
| 179 | K | D | -2.1583 | |
| 180 | T | D | 0.0000 | |
| 181 | V | D | 0.0000 | |
| 182 | V | D | -1.1473 | |
| 183 | E | D | 0.0000 | |
| 184 | F | D | 0.0000 | |
| 185 | V | D | 0.0000 | |
| 186 | K | D | 0.0000 | |
| 187 | F | D | 0.0000 | |
| 188 | A | D | 0.0000 | |
| 189 | A | D | 0.0000 | |
| 190 | F | D | 0.0000 | |
| 191 | V | D | 0.0000 | |
| 192 | A | D | 0.0000 | |
| 193 | Y | D | 0.0738 | |
| 194 | H | D | -0.3922 | |
| 195 | L | D | 0.0000 | |
| 196 | D | D | -2.4720 | |
| 197 | D | D | -2.5746 | |
| 198 | L | D | 0.0000 | |
| 199 | V | D | 0.0000 | |
| 200 | D | D | -1.2213 | |
| 201 | M | D | -0.5300 | |
| 202 | W | D | 0.0000 | |
| 203 | S | D | 0.0000 | |
| 204 | T | D | 0.0000 | |
| 205 | M | D | 0.0000 | |
| 206 | N | D | 0.0000 | |
| 207 | E | D | -0.0532 | |
| 208 | P | D | 0.0000 | |
| 209 | N | D | 0.0000 | |
| 210 | V | D | 0.0770 | |
| 211 | V | D | 0.0195 | |
| 212 | Y | D | 0.0000 | |
| 213 | N | D | -0.5829 | |
| 214 | Q | D | -0.5497 | |
| 215 | G | D | 0.0000 | |
| 216 | Y | D | 0.0000 | |
| 217 | I | D | -0.4105 | |
| 218 | N | D | -0.4022 | |
| 219 | L | D | 0.0000 | |
| 220 | R | D | -2.1263 | |
| 221 | S | D | -1.1076 | |
| 222 | G | D | 0.0000 | |
| 223 | F | D | -0.0236 | |
| 224 | P | D | 0.0000 | |
| 225 | P | D | 0.0000 | |
| 226 | G | D | -0.1909 | |
| 227 | Y | D | -0.0428 | |
| 228 | L | D | 0.0000 | |
| 229 | S | D | -0.8377 | |
| 230 | F | D | -0.9613 | |
| 231 | E | D | -2.4586 | |
| 232 | A | D | 0.0000 | |
| 233 | A | D | -1.8034 | |
| 234 | E | D | -2.9908 | |
| 235 | K | D | -3.0420 | |
| 236 | A | D | 0.0000 | |
| 237 | K | D | -1.5103 | |
| 238 | F | D | -1.0929 | |
| 239 | N | D | 0.0000 | |
| 240 | L | D | 0.0000 | |
| 241 | I | D | 0.0000 | |
| 242 | Q | D | 0.0000 | |
| 243 | A | D | 0.0000 | |
| 244 | H | D | 0.0000 | |
| 245 | I | D | 0.0000 | |
| 246 | G | D | 0.0000 | |
| 247 | A | D | 0.0000 | |
| 248 | Y | D | -0.9554 | |
| 249 | D | D | -1.9128 | |
| 250 | A | D | 0.0000 | |
| 251 | I | D | 0.0000 | |
| 252 | K | D | -2.2502 | |
| 253 | E | D | -2.5567 | |
| 254 | Y | D | -1.3692 | |
| 255 | S | D | -2.2267 | |
| 256 | E | D | -2.6863 | |
| 257 | K | D | -1.8162 | |
| 258 | S | D | -0.9684 | |
| 259 | V | D | 0.0000 | |
| 260 | G | D | 0.0000 | |
| 261 | V | D | 0.0000 | |
| 262 | I | D | 0.0000 | |
| 263 | Y | D | 0.0000 | |
| 264 | A | D | -0.0521 | |
| 265 | F | D | 0.0000 | |
| 266 | A | D | -0.0392 | |
| 267 | W | D | 0.0000 | |
| 268 | H | D | 0.0000 | |
| 269 | D | D | -0.4839 | |
| 270 | P | D | -1.5345 | |
| 271 | L | D | -0.0866 | |
| 272 | A | D | -1.4078 | |
| 273 | E | D | -3.4178 | |
| 274 | E | D | -3.3706 | |
| 275 | Y | D | -3.2286 | |
| 276 | K | D | -4.1611 | |
| 277 | D | D | -4.6059 | |
| 278 | E | D | -4.2200 | |
| 279 | V | D | 0.0000 | |
| 280 | E | D | -4.2443 | |
| 281 | E | D | -4.0527 | |
| 282 | I | D | -2.7973 | |
| 283 | R | D | -2.8762 | |
| 284 | K | D | -3.7704 | |
| 285 | K | D | -3.6578 | |
| 286 | D | D | -2.3699 | |
| 287 | Y | D | 0.0000 | |
| 288 | E | D | -2.3665 | |
| 289 | F | D | 0.0000 | |
| 290 | V | D | 0.0000 | |
| 291 | T | D | -1.0390 | |
| 292 | I | D | -0.4515 | |
| 293 | L | D | 0.0000 | |
| 294 | H | D | -1.1382 | |
| 295 | S | D | -1.0672 | |
| 296 | K | D | -1.8184 | |
| 297 | G | D | -1.4717 | |
| 298 | K | D | -1.3826 | |
| 299 | L | D | 0.0000 | |
| 300 | D | D | -0.6293 | |
| 301 | W | D | 0.0000 | |
| 302 | I | D | 0.0000 | |
| 303 | G | D | 0.0000 | |
| 304 | V | D | 0.0000 | |
| 305 | N | D | 0.0000 | |
| 306 | Y | D | 0.0000 | |
| 307 | Y | D | 0.3006 | |
| 308 | S | D | 0.0000 | |
| 309 | R | D | 0.1177 | |
| 310 | L | D | 0.4586 | |
| 311 | V | D | 0.0000 | |
| 312 | Y | D | 0.0000 | |
| 313 | G | D | 0.0000 | |
| 314 | A | D | -0.4788 | |
| 315 | K | D | -1.6945 | |
| 316 | D | D | -2.5228 | |
| 317 | G | D | -2.0023 | |
| 318 | H | D | -1.5973 | |
| 319 | L | D | -0.5245 | |
| 320 | V | D | 0.6689 | |
| 321 | P | D | 0.6397 | |
| 322 | L | D | 0.5622 | |
| 323 | P | D | -0.2916 | |
| 324 | G | D | -0.8831 | |
| 325 | Y | D | -0.3521 | |
| 326 | G | D | 0.0000 | |
| 327 | F | D | 0.4501 | |
| 328 | M | D | 0.1324 | |
| 329 | S | D | 0.0000 | |
| 330 | E | D | -2.9480 | |
| 331 | R | D | -3.1412 | |
| 332 | G | D | -2.3602 | |
| 333 | G | D | -1.6336 | |
| 334 | F | D | -1.2539 | |
| 335 | A | D | 0.0000 | |
| 336 | K | D | -2.2291 | |
| 337 | S | D | -1.2263 | |
| 338 | G | D | -1.4607 | |
| 339 | R | D | -1.0562 | |
| 340 | P | D | 0.0000 | |
| 341 | A | D | 0.0000 | |
| 342 | S | D | 0.0000 | |
| 343 | D | D | -2.7609 | |
| 344 | F | D | 0.0000 | |
| 345 | G | D | 0.0000 | |
| 346 | W | D | -0.2804 | |
| 347 | E | D | 0.0000 | |
| 348 | M | D | 0.0000 | |
| 349 | Y | D | -0.1145 | |
| 350 | P | D | 0.0000 | |
| 351 | E | D | -1.3565 | |
| 352 | G | D | 0.0000 | |
| 353 | L | D | 0.0000 | |
| 354 | E | D | -1.8227 | |
| 355 | N | D | -1.6773 | |
| 356 | L | D | 0.0000 | |
| 357 | L | D | 0.0000 | |
| 358 | K | D | -2.2253 | |
| 359 | Y | D | -0.9015 | |
| 360 | L | D | 0.0000 | |
| 361 | N | D | -2.0427 | |
| 362 | N | D | -1.9150 | |
| 363 | A | D | -1.0991 | |
| 364 | Y | D | 0.0000 | |
| 365 | E | D | -2.3978 | |
| 366 | L | D | -1.1986 | |
| 367 | P | D | -0.8968 | |
| 368 | M | D | 0.0000 | |
| 369 | I | D | 0.0000 | |
| 370 | I | D | 0.0000 | |
| 371 | T | D | 0.0000 | |
| 372 | E | D | -0.1456 | |
| 373 | N | D | 0.0000 | |
| 374 | G | D | 0.0000 | |
| 375 | M | D | 0.0000 | |
| 376 | A | D | 0.0000 | |
| 377 | D | D | 0.0000 | |
| 378 | A | D | -0.4462 | |
| 379 | A | D | 0.0000 | |
| 380 | D | D | 0.0000 | |
| 381 | R | D | -0.2794 | |
| 382 | Y | D | -0.0381 | |
| 383 | R | D | 0.0000 | |
| 384 | P | D | 0.0000 | |
| 385 | H | D | 0.0000 | |
| 386 | Y | D | 0.0000 | |
| 387 | L | D | 0.0000 | |
| 388 | V | D | 0.0000 | |
| 389 | S | D | 0.0000 | |
| 390 | H | D | 0.0000 | |
| 391 | L | D | 0.0000 | |
| 392 | K | D | -0.9441 | |
| 393 | A | D | 0.0000 | |
| 394 | V | D | 0.0000 | |
| 395 | Y | D | -1.1259 | |
| 396 | N | D | -1.8116 | |
| 397 | A | D | 0.0000 | |
| 398 | M | D | -2.0729 | |
| 399 | K | D | -2.9029 | |
| 400 | E | D | -3.1775 | |
| 401 | G | D | -2.5882 | |
| 402 | A | D | 0.0000 | |
| 403 | D | D | -1.9741 | |
| 404 | V | D | 0.0000 | |
| 405 | R | D | -1.4802 | |
| 406 | G | D | 0.0000 | |
| 407 | Y | D | 0.0000 | |
| 408 | L | D | 0.0000 | |
| 409 | H | D | 0.0000 | |
| 410 | W | D | 0.0000 | |
| 411 | S | D | 0.0000 | |
| 412 | L | D | 0.0000 | |
| 413 | T | D | 0.0000 | |
| 414 | D | D | 0.0000 | |
| 415 | N | D | 0.0000 | |
| 416 | Y | D | 0.0000 | |
| 417 | E | D | -0.3909 | |
| 418 | W | D | -0.0024 | |
| 419 | A | D | -0.1288 | |
| 420 | Q | D | -0.7522 | |
| 421 | G | D | 0.0000 | |
| 422 | F | D | -0.7529 | |
| 423 | R | D | -1.7881 | |
| 424 | M | D | 0.0000 | |
| 425 | R | D | -0.6737 | |
| 426 | F | D | 0.0000 | |
| 427 | G | D | 0.0000 | |
| 428 | L | D | 0.0000 | |
| 429 | V | D | 0.0000 | |
| 430 | Y | D | -0.2922 | |
| 431 | V | D | 0.0000 | |
| 432 | D | D | -1.9317 | |
| 433 | F | D | 0.0000 | |
| 434 | E | D | -2.8284 | |
| 435 | T | D | -2.2730 | |
| 436 | K | D | -3.2427 | |
| 437 | K | D | -2.8264 | |
| 438 | R | D | -1.9233 | |
| 439 | Y | D | -0.9809 | |
| 440 | L | D | -0.3174 | |
| 441 | R | D | 0.0000 | |
| 442 | P | D | 0.0000 | |
| 443 | S | D | 0.0000 | |
| 444 | A | D | 0.0000 | |
| 445 | L | D | -0.6307 | |
| 446 | V | D | 0.0000 | |
| 447 | F | D | 0.0000 | |
| 448 | R | D | -2.3970 | |
| 449 | E | D | -2.1148 | |
| 450 | I | D | 0.0000 | |
| 451 | A | D | 0.0000 | |
| 452 | T | D | -1.4954 | |
| 453 | Q | D | -1.9542 | |
| 454 | K | D | -2.3260 | |
| 455 | E | D | -1.8830 | |
| 456 | I | D | -1.3133 | |
| 457 | P | D | 0.0000 | |
| 458 | E | D | -2.1489 | |
| 459 | E | D | -1.4996 | |
| 460 | L | D | 0.0000 | |
| 461 | A | D | -1.3527 | |
| 462 | H | D | -1.6170 | |
| 463 | L | D | -0.9653 | |
| 464 | A | D | -1.1965 | |
| 465 | D | D | -2.0524 | |
| 466 | L | D | 0.0000 | |
| 467 | K | D | -1.8945 | |
| 468 | F | D | -0.2026 | |
| 469 | V | D | 0.0000 | |
| 470 | T | D | -1.2968 | |
| 471 | R | D | -2.1307 |
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 | -0.6595 | 2.8221 | View | CSV | PDB |
| 4.5 | -0.737 | 2.7779 | View | CSV | PDB |
| 5.0 | -0.8341 | 2.7191 | View | CSV | PDB |
| 5.5 | -0.9322 | 2.6554 | View | CSV | PDB |
| 6.0 | -1.0113 | 2.6305 | View | CSV | PDB |
| 6.5 | -1.0553 | 2.6305 | View | CSV | PDB |
| 7.0 | -1.0618 | 2.6305 | View | CSV | PDB |
| 7.5 | -1.0417 | 2.6305 | View | CSV | PDB |
| 8.0 | -1.007 | 2.6305 | View | CSV | PDB |
| 8.5 | -0.9628 | 2.6304 | View | CSV | PDB |
| 9.0 | -0.9097 | 2.6304 | 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