| 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. (00:00:14)
[INFO] FoldX: Starting FoldX energy minimization (00:00:14)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (01:01:33)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/32ce0d75b9a2210/tmp/folded.pdb (01:01:33)
[INFO] Main: Simulation completed successfully. (01:45:33)
|
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 | -0.9518 | |
| 2 | K | A | -1.9123 | |
| 3 | F | A | 0.0000 | |
| 4 | P | A | -1.9391 | |
| 5 | K | A | -2.7304 | |
| 6 | N | A | -2.5768 | |
| 7 | F | A | 0.0000 | |
| 8 | M | A | -1.3344 | |
| 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 | -0.0780 | |
| 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 | -0.5722 | |
| 23 | P | A | -1.0431 | |
| 24 | G | A | -1.0796 | |
| 25 | S | A | 0.0000 | |
| 26 | E | A | -2.5691 | |
| 27 | V | A | 0.0000 | |
| 28 | E | A | -1.9406 | |
| 29 | S | A | 0.0000 | |
| 30 | D | A | 0.0000 | |
| 31 | W | A | 0.0000 | |
| 32 | W | A | -0.1730 | |
| 33 | V | A | 0.1320 | |
| 34 | W | A | 0.0000 | |
| 35 | V | A | 0.0000 | |
| 36 | H | A | -0.4335 | |
| 37 | D | A | -0.7024 | |
| 38 | K | A | -1.5651 | |
| 39 | E | A | -0.4183 | |
| 40 | N | A | 0.0000 | |
| 41 | I | A | 0.2486 | |
| 42 | A | A | 0.0571 | |
| 43 | S | A | 0.0000 | |
| 44 | G | A | -0.4156 | |
| 45 | L | A | 0.0460 | |
| 46 | V | A | 0.0000 | |
| 47 | S | A | -0.4009 | |
| 48 | G | A | -0.3552 | |
| 49 | D | A | -0.4669 | |
| 50 | L | A | 0.0632 | |
| 51 | P | A | 0.0000 | |
| 52 | E | A | -1.7777 | |
| 53 | N | A | -1.3236 | |
| 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 | -0.7925 | |
| 60 | L | A | -0.7047 | |
| 61 | Y | A | -1.4346 | |
| 62 | K | A | -2.6181 | |
| 63 | Q | A | -2.2331 | |
| 64 | D | A | 0.0000 | |
| 65 | H | A | 0.0000 | |
| 66 | D | A | -1.9138 | |
| 67 | I | A | -1.0700 | |
| 68 | A | A | 0.0000 | |
| 69 | E | A | -1.7650 | |
| 70 | K | A | -1.5635 | |
| 71 | L | A | 0.0000 | |
| 72 | G | A | -1.5544 | |
| 73 | M | A | 0.0000 | |
| 74 | D | A | -1.9053 | |
| 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 | -1.2454 | |
| 88 | K | A | -1.7140 | |
| 89 | P | A | -0.8583 | |
| 90 | T | A | 0.0000 | |
| 91 | F | A | -0.6551 | |
| 92 | D | A | -2.0547 | |
| 93 | V | A | 0.0000 | |
| 94 | K | A | -2.5840 | |
| 95 | V | A | -1.9781 | |
| 96 | D | A | -2.8551 | |
| 97 | V | A | -1.6537 | |
| 98 | E | A | -2.7291 | |
| 99 | K | A | -3.0577 | |
| 100 | D | A | -3.1381 | |
| 101 | E | A | -3.7000 | |
| 102 | E | A | -3.3247 | |
| 103 | G | A | -2.3585 | |
| 104 | N | A | -1.4204 | |
| 105 | I | A | -0.4533 | |
| 106 | I | A | 0.5938 | |
| 107 | S | A | -0.8829 | |
| 108 | V | A | -1.5833 | |
| 109 | D | A | -3.0154 | |
| 110 | V | A | 0.0000 | |
| 111 | P | A | -2.2715 | |
| 112 | E | A | -2.5728 | |
| 113 | S | A | -2.0996 | |
| 114 | T | A | 0.0000 | |
| 115 | I | A | 0.0000 | |
| 116 | K | A | -3.3759 | |
| 117 | E | A | -3.3954 | |
| 118 | L | A | 0.0000 | |
| 119 | E | A | -2.4527 | |
| 120 | K | A | -2.6476 | |
| 121 | I | A | -1.6996 | |
| 122 | A | A | -1.6917 | |
| 123 | N | A | -1.6506 | |
| 124 | M | A | -1.7488 | |
| 125 | E | A | -2.5755 | |
| 126 | A | A | 0.0000 | |
| 127 | L | A | 0.0000 | |
| 128 | E | A | -3.1565 | |
| 129 | H | A | -2.3799 | |
| 130 | Y | A | 0.0000 | |
| 131 | R | A | -2.5049 | |
| 132 | K | A | -2.6813 | |
| 133 | I | A | 0.0000 | |
| 134 | Y | A | 0.0000 | |
| 135 | S | A | -1.8955 | |
| 136 | D | A | -2.0168 | |
| 137 | W | A | 0.0000 | |
| 138 | K | A | -2.1513 | |
| 139 | E | A | -2.5105 | |
| 140 | R | A | -2.1165 | |
| 141 | G | A | -1.7992 | |
| 142 | K | A | -1.7079 | |
| 143 | T | A | -0.8814 | |
| 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 | -0.2218 | |
| 151 | W | A | 0.0000 | |
| 152 | P | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | P | A | 0.0000 | |
| 155 | L | A | 0.2105 | |
| 156 | W | A | 0.0990 | |
| 157 | I | A | 0.0000 | |
| 158 | H | A | 0.0000 | |
| 159 | D | A | 0.1308 | |
| 160 | P | A | 0.0000 | |
| 161 | I | A | 0.5494 | |
| 162 | A | A | -0.1739 | |
| 163 | V | A | 0.0000 | |
| 164 | R | A | -0.1420 | |
| 165 | K | A | -0.5024 | |
| 166 | L | A | -0.5896 | |
| 167 | G | A | -1.1898 | |
| 168 | P | A | -1.8298 | |
| 169 | D | A | -2.5604 | |
| 170 | R | A | -2.6130 | |
| 171 | A | A | -1.4023 | |
| 172 | P | A | -0.8628 | |
| 173 | A | A | -1.3311 | |
| 174 | G | A | 0.0000 | |
| 175 | W | A | 0.0000 | |
| 176 | L | A | 0.0000 | |
| 177 | D | A | -2.4042 | |
| 178 | E | A | -2.9249 | |
| 179 | K | A | -2.3833 | |
| 180 | T | A | 0.0000 | |
| 181 | V | A | 0.0000 | |
| 182 | V | A | -0.6448 | |
| 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 | 0.0585 | |
| 194 | H | A | -0.4978 | |
| 195 | L | A | 0.0000 | |
| 196 | D | A | -1.7350 | |
| 197 | D | A | -2.2475 | |
| 198 | L | A | 0.0000 | |
| 199 | V | A | 0.0000 | |
| 200 | D | A | -1.1131 | |
| 201 | M | A | -0.5706 | |
| 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 | -0.1894 | |
| 208 | P | A | 0.0000 | |
| 209 | N | A | -0.4571 | |
| 210 | V | A | 0.1087 | |
| 211 | V | A | 0.0000 | |
| 212 | Y | A | -0.5791 | |
| 213 | N | A | -0.3131 | |
| 214 | Q | A | -0.4994 | |
| 215 | G | A | 0.0000 | |
| 216 | Y | A | 0.0000 | |
| 217 | I | A | 0.0350 | |
| 218 | N | A | -0.6081 | |
| 219 | L | A | -0.4282 | |
| 220 | R | A | -1.0203 | |
| 221 | S | A | -0.4361 | |
| 222 | G | A | 0.0000 | |
| 223 | F | A | 0.1391 | |
| 224 | P | A | 0.0000 | |
| 225 | P | A | 0.0000 | |
| 226 | G | A | -0.1654 | |
| 227 | Y | A | -0.2876 | |
| 228 | L | A | 0.0000 | |
| 229 | S | A | -0.9930 | |
| 230 | F | A | -1.1100 | |
| 231 | E | A | -2.7384 | |
| 232 | A | A | 0.0000 | |
| 233 | A | A | -1.7385 | |
| 234 | E | A | -3.0768 | |
| 235 | K | A | -3.1762 | |
| 236 | A | A | 0.0000 | |
| 237 | K | A | -1.3508 | |
| 238 | F | A | -0.8582 | |
| 239 | N | A | 0.0000 | |
| 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 | 0.0000 | |
| 246 | G | A | 0.0000 | |
| 247 | A | A | 0.0000 | |
| 248 | Y | A | -0.7443 | |
| 249 | D | A | -1.5580 | |
| 250 | A | A | 0.0000 | |
| 251 | I | A | 0.0000 | |
| 252 | K | A | -2.2462 | |
| 253 | E | A | -2.6427 | |
| 254 | Y | A | -1.5049 | |
| 255 | S | A | 0.0000 | |
| 256 | E | A | -2.6312 | |
| 257 | K | A | -1.9372 | |
| 258 | S | A | -0.9236 | |
| 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 | -0.0964 | |
| 265 | F | A | 0.0000 | |
| 266 | A | A | -0.0495 | |
| 267 | W | A | 0.0000 | |
| 268 | H | A | 0.0000 | |
| 269 | D | A | -0.6221 | |
| 270 | P | A | -1.4121 | |
| 271 | L | A | 0.0154 | |
| 272 | A | A | -1.2990 | |
| 273 | E | A | -3.2310 | |
| 274 | E | A | -3.4892 | |
| 275 | Y | A | -2.9972 | |
| 276 | K | A | -4.5459 | |
| 277 | D | A | -4.8435 | |
| 278 | E | A | -4.4555 | |
| 279 | V | A | 0.0000 | |
| 280 | E | A | -4.5304 | |
| 281 | E | A | -4.6011 | |
| 282 | I | A | -3.1635 | |
| 283 | R | A | 0.0000 | |
| 284 | K | A | -3.6605 | |
| 285 | K | A | -3.7298 | |
| 286 | D | A | -2.6845 | |
| 287 | Y | A | 0.0000 | |
| 288 | E | A | -2.0576 | |
| 289 | F | A | 0.0000 | |
| 290 | V | A | 0.0000 | |
| 291 | T | A | -0.7523 | |
| 292 | I | A | -0.0680 | |
| 293 | L | A | 0.0000 | |
| 294 | H | A | -1.1187 | |
| 295 | S | A | -0.8381 | |
| 296 | K | A | -1.3755 | |
| 297 | G | A | -1.2673 | |
| 298 | K | A | -1.0786 | |
| 299 | L | A | 0.0000 | |
| 300 | D | A | -0.6399 | |
| 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 | 0.3162 | |
| 308 | S | A | 0.0000 | |
| 309 | R | A | 0.0760 | |
| 310 | L | A | 0.5474 | |
| 311 | V | A | 0.0000 | |
| 312 | Y | A | 0.0000 | |
| 313 | G | A | 0.0000 | |
| 314 | A | A | -1.2510 | |
| 315 | K | A | -2.6638 | |
| 316 | D | A | -2.9339 | |
| 317 | G | A | -2.2095 | |
| 318 | H | A | -1.9500 | |
| 319 | L | A | -0.8667 | |
| 320 | V | A | -0.3596 | |
| 321 | P | A | 0.1837 | |
| 322 | L | A | 0.3481 | |
| 323 | P | A | -0.2018 | |
| 324 | G | A | -0.6436 | |
| 325 | Y | A | -0.2108 | |
| 326 | G | A | 0.0000 | |
| 327 | F | A | 0.7150 | |
| 328 | M | A | 0.3342 | |
| 329 | S | A | 0.0000 | |
| 330 | E | A | -2.6971 | |
| 331 | R | A | -2.6701 | |
| 332 | G | A | -1.6696 | |
| 333 | G | A | -1.5563 | |
| 334 | F | A | -1.3612 | |
| 335 | A | A | 0.0000 | |
| 336 | K | A | -2.2047 | |
| 337 | S | A | -1.2586 | |
| 338 | G | A | 0.0000 | |
| 339 | R | A | -1.0344 | |
| 340 | P | A | 0.0000 | |
| 341 | A | A | 0.0000 | |
| 342 | S | A | 0.0000 | |
| 343 | D | A | -1.4654 | |
| 344 | F | A | -0.6077 | |
| 345 | G | A | 0.0000 | |
| 346 | W | A | 0.0988 | |
| 347 | E | A | 0.0000 | |
| 348 | M | A | 0.0000 | |
| 349 | Y | A | -0.2364 | |
| 350 | P | A | 0.0000 | |
| 351 | E | A | -1.6022 | |
| 352 | G | A | 0.0000 | |
| 353 | L | A | 0.0000 | |
| 354 | E | A | -1.7801 | |
| 355 | N | A | -1.7543 | |
| 356 | L | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | K | A | -2.2567 | |
| 359 | Y | A | -1.1508 | |
| 360 | L | A | 0.0000 | |
| 361 | N | A | -2.1322 | |
| 362 | N | A | -2.0224 | |
| 363 | A | A | -1.2252 | |
| 364 | Y | A | 0.0000 | |
| 365 | E | A | -2.4677 | |
| 366 | L | A | -1.3048 | |
| 367 | P | A | -1.2101 | |
| 368 | M | A | 0.0000 | |
| 369 | I | A | 0.0000 | |
| 370 | I | A | 0.0000 | |
| 371 | T | A | 0.0000 | |
| 372 | E | A | 0.0000 | |
| 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 | -0.4435 | |
| 379 | A | A | 0.0000 | |
| 380 | D | A | 0.0000 | |
| 381 | R | A | -0.4259 | |
| 382 | Y | A | 0.0000 | |
| 383 | R | A | 0.0000 | |
| 384 | P | A | 0.0000 | |
| 385 | H | A | 0.0000 | |
| 386 | Y | A | 0.0000 | |
| 387 | L | A | 0.0000 | |
| 388 | V | A | 0.0000 | |
| 389 | S | A | -0.7312 | |
| 390 | H | A | 0.0000 | |
| 391 | L | A | 0.0000 | |
| 392 | K | A | -1.5016 | |
| 393 | A | A | 0.0000 | |
| 394 | V | A | 0.0000 | |
| 395 | Y | A | 0.0000 | |
| 396 | N | A | -2.0361 | |
| 397 | A | A | 0.0000 | |
| 398 | M | A | 0.0000 | |
| 399 | K | A | -3.1106 | |
| 400 | E | A | -3.2040 | |
| 401 | G | A | -2.3777 | |
| 402 | A | A | 0.0000 | |
| 403 | D | A | -2.4223 | |
| 404 | V | A | 0.0000 | |
| 405 | R | A | -1.9880 | |
| 406 | G | A | 0.0000 | |
| 407 | Y | A | 0.0000 | |
| 408 | L | A | 0.0000 | |
| 409 | H | A | 0.0000 | |
| 410 | W | A | 0.1829 | |
| 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 | -0.6196 | |
| 418 | W | A | 0.0000 | |
| 419 | A | A | -0.4571 | |
| 420 | Q | A | -0.9133 | |
| 421 | G | A | 0.0000 | |
| 422 | F | A | -0.8162 | |
| 423 | R | A | -1.8431 | |
| 424 | M | A | -0.9385 | |
| 425 | R | A | -0.5029 | |
| 426 | F | A | 0.1376 | |
| 427 | G | A | 0.0000 | |
| 428 | L | A | 0.0000 | |
| 429 | V | A | 0.0000 | |
| 430 | Y | A | -0.1858 | |
| 431 | V | A | 0.0000 | |
| 432 | D | A | -1.2814 | |
| 433 | F | A | 0.0000 | |
| 434 | E | A | -2.2587 | |
| 435 | T | A | -1.5629 | |
| 436 | K | A | -1.4475 | |
| 437 | K | A | -1.7636 | |
| 438 | R | A | -1.3041 | |
| 439 | Y | A | -0.8804 | |
| 440 | L | A | -0.2112 | |
| 441 | R | A | 0.0000 | |
| 442 | P | A | 0.0000 | |
| 443 | S | A | 0.0000 | |
| 444 | A | A | 0.0000 | |
| 445 | L | A | -0.3501 | |
| 446 | V | A | 0.0000 | |
| 447 | F | A | 0.0000 | |
| 448 | R | A | -1.9992 | |
| 449 | E | A | -1.6681 | |
| 450 | I | A | 0.0000 | |
| 451 | A | A | -1.5123 | |
| 452 | T | A | -1.6694 | |
| 453 | Q | A | -1.7432 | |
| 454 | K | A | -2.2225 | |
| 455 | E | A | -2.0075 | |
| 456 | I | A | -1.3815 | |
| 457 | P | A | 0.0000 | |
| 458 | E | A | -2.4039 | |
| 459 | E | A | -2.0086 | |
| 460 | L | A | 0.0000 | |
| 461 | A | A | -1.4594 | |
| 462 | H | A | -1.5311 | |
| 463 | L | A | 0.0000 | |
| 464 | A | A | -1.1345 | |
| 465 | D | A | -1.8136 | |
| 466 | L | A | -1.2798 | |
| 467 | K | A | -1.8164 | |
| 468 | F | A | -0.0377 | |
| 469 | V | A | 0.0000 | |
| 470 | T | A | -1.3086 | |
| 471 | R | A | -2.1532 | |
| 1 | A | B | -1.0549 | |
| 2 | K | B | -2.3973 | |
| 3 | F | B | 0.0000 | |
| 4 | P | B | -1.9383 | |
| 5 | K | B | -2.7297 | |
| 6 | N | B | -2.2776 | |
| 7 | F | B | 0.0000 | |
| 8 | M | B | -0.8335 | |
| 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 | -0.6334 | |
| 23 | P | B | -0.8568 | |
| 24 | G | B | -0.9249 | |
| 25 | S | B | 0.0000 | |
| 26 | E | B | -1.8820 | |
| 27 | V | B | -1.3532 | |
| 28 | E | B | -1.8316 | |
| 29 | S | B | 0.0000 | |
| 30 | D | B | 0.0000 | |
| 31 | W | B | 0.0000 | |
| 32 | W | B | -0.4750 | |
| 33 | V | B | -0.1223 | |
| 34 | W | B | 0.0000 | |
| 35 | V | B | 0.0000 | |
| 36 | H | B | -0.6921 | |
| 37 | D | B | -1.0581 | |
| 38 | K | B | -1.7243 | |
| 39 | E | B | -0.8664 | |
| 40 | N | B | 0.0000 | |
| 41 | I | B | -0.2073 | |
| 42 | A | B | -0.2569 | |
| 43 | S | B | 0.0000 | |
| 44 | G | B | -0.3912 | |
| 45 | L | B | -0.3702 | |
| 46 | V | B | -0.1136 | |
| 47 | S | B | -0.4179 | |
| 48 | G | B | -0.8853 | |
| 49 | D | B | -0.7847 | |
| 50 | L | B | -0.0365 | |
| 51 | P | B | 0.0000 | |
| 52 | E | B | -1.1771 | |
| 53 | N | B | -1.5749 | |
| 54 | G | B | 0.0000 | |
| 55 | P | B | 0.0000 | |
| 56 | A | B | 0.0000 | |
| 57 | Y | B | 0.0000 | |
| 58 | W | B | -0.4066 | |
| 59 | H | B | -0.6833 | |
| 60 | L | B | -0.5417 | |
| 61 | Y | B | 0.0000 | |
| 62 | K | B | -2.4803 | |
| 63 | Q | B | -1.8550 | |
| 64 | D | B | 0.0000 | |
| 65 | H | B | 0.0000 | |
| 66 | D | B | -2.4640 | |
| 67 | I | B | 0.0000 | |
| 68 | A | B | 0.0000 | |
| 69 | E | B | -2.6050 | |
| 70 | K | B | -2.7621 | |
| 71 | L | B | 0.0000 | |
| 72 | G | B | -1.6373 | |
| 73 | M | B | 0.0000 | |
| 74 | D | B | -0.6841 | |
| 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 | 0.0000 | |
| 85 | I | B | 0.0000 | |
| 86 | F | B | 0.0000 | |
| 87 | P | B | -1.2426 | |
| 88 | K | B | -1.5371 | |
| 89 | P | B | -0.9203 | |
| 90 | T | B | 0.0000 | |
| 91 | F | B | -0.7313 | |
| 92 | D | B | -1.9820 | |
| 93 | V | B | 0.0000 | |
| 94 | K | B | -2.4288 | |
| 95 | V | B | -1.8075 | |
| 96 | D | B | -2.9435 | |
| 97 | V | B | -1.7925 | |
| 98 | E | B | -2.7356 | |
| 99 | K | B | -2.9321 | |
| 100 | D | B | -3.1596 | |
| 101 | E | B | -3.7589 | |
| 102 | E | B | -3.3457 | |
| 103 | G | B | -2.5529 | |
| 104 | N | B | -1.5591 | |
| 105 | I | B | -0.6252 | |
| 106 | I | B | 0.8591 | |
| 107 | S | B | -0.7973 | |
| 108 | V | B | -1.5745 | |
| 109 | D | B | -3.1295 | |
| 110 | V | B | 0.0000 | |
| 111 | P | B | -2.0859 | |
| 112 | E | B | -2.5464 | |
| 113 | S | B | -2.0849 | |
| 114 | T | B | 0.0000 | |
| 115 | I | B | 0.0000 | |
| 116 | K | B | -2.8114 | |
| 117 | E | B | -3.1155 | |
| 118 | L | B | 0.0000 | |
| 119 | E | B | -2.0769 | |
| 120 | K | B | -2.5345 | |
| 121 | I | B | 0.0000 | |
| 122 | A | B | 0.0000 | |
| 123 | N | B | -1.7111 | |
| 124 | M | B | -1.6867 | |
| 125 | E | B | -2.6152 | |
| 126 | A | B | 0.0000 | |
| 127 | L | B | 0.0000 | |
| 128 | E | B | -3.2343 | |
| 129 | H | B | -2.3433 | |
| 130 | Y | B | 0.0000 | |
| 131 | R | B | -2.5955 | |
| 132 | K | B | -2.7857 | |
| 133 | I | B | 0.0000 | |
| 134 | Y | B | 0.0000 | |
| 135 | S | B | -2.2099 | |
| 136 | D | B | -2.1144 | |
| 137 | W | B | 0.0000 | |
| 138 | K | B | -2.2952 | |
| 139 | E | B | -2.5110 | |
| 140 | R | B | -1.9544 | |
| 141 | G | B | -1.6039 | |
| 142 | K | B | -1.5619 | |
| 143 | T | B | -0.8226 | |
| 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 | 0.2050 | |
| 152 | P | B | 0.0000 | |
| 153 | L | B | 0.0000 | |
| 154 | P | B | 0.0000 | |
| 155 | L | B | -0.3449 | |
| 156 | W | B | -0.3300 | |
| 157 | I | B | 0.0000 | |
| 158 | H | B | 0.0000 | |
| 159 | D | B | -0.1154 | |
| 160 | P | B | 0.0000 | |
| 161 | I | B | -0.2348 | |
| 162 | A | B | 0.0000 | |
| 163 | V | B | 0.0000 | |
| 164 | R | B | -0.7408 | |
| 165 | K | B | -1.7334 | |
| 166 | L | B | -1.0161 | |
| 167 | G | B | -1.2456 | |
| 168 | P | B | -1.6786 | |
| 169 | D | B | -2.5514 | |
| 170 | R | B | -2.7119 | |
| 171 | A | B | -1.5758 | |
| 172 | P | B | -0.7668 | |
| 173 | A | B | 0.0000 | |
| 174 | G | B | 0.0000 | |
| 175 | W | B | 0.0000 | |
| 176 | L | B | 0.0000 | |
| 177 | D | B | -2.0372 | |
| 178 | E | B | -2.5681 | |
| 179 | K | B | -1.6506 | |
| 180 | T | B | 0.0000 | |
| 181 | V | B | 0.0000 | |
| 182 | V | B | -0.5618 | |
| 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 | -0.4085 | |
| 194 | H | B | -0.6422 | |
| 195 | L | B | 0.0000 | |
| 196 | D | B | -1.7942 | |
| 197 | D | B | -2.2765 | |
| 198 | L | B | 0.0000 | |
| 199 | V | B | 0.0000 | |
| 200 | D | B | -1.3780 | |
| 201 | M | B | -0.6667 | |
| 202 | W | B | 0.0000 | |
| 203 | S | B | 0.0000 | |
| 204 | T | B | 0.0000 | |
| 205 | M | B | 0.0000 | |
| 206 | N | B | 0.0000 | |
| 207 | E | B | 0.0000 | |
| 208 | P | B | 0.0000 | |
| 209 | N | B | -0.3971 | |
| 210 | V | B | 0.0484 | |
| 211 | V | B | 0.0884 | |
| 212 | Y | B | 0.0000 | |
| 213 | N | B | -0.5114 | |
| 214 | Q | B | -0.6794 | |
| 215 | G | B | 0.0000 | |
| 216 | Y | B | 0.0000 | |
| 217 | I | B | -0.1878 | |
| 218 | N | B | -0.9703 | |
| 219 | L | B | -1.0701 | |
| 220 | R | B | -2.0426 | |
| 221 | S | B | -0.9609 | |
| 222 | G | B | -0.6374 | |
| 223 | F | B | -0.0670 | |
| 224 | P | B | 0.1558 | |
| 225 | P | B | 0.0000 | |
| 226 | G | B | -0.2755 | |
| 227 | Y | B | 0.0878 | |
| 228 | L | B | 0.0000 | |
| 229 | S | B | 0.0000 | |
| 230 | F | B | -0.1848 | |
| 231 | E | B | -2.0605 | |
| 232 | A | B | 0.0000 | |
| 233 | A | B | -1.3025 | |
| 234 | E | B | -2.5513 | |
| 235 | K | B | -2.3966 | |
| 236 | A | B | 0.0000 | |
| 237 | K | B | -1.2260 | |
| 238 | F | B | -0.4382 | |
| 239 | N | B | -0.9580 | |
| 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 | -0.1157 | |
| 246 | G | B | 0.0000 | |
| 247 | A | B | 0.0000 | |
| 248 | Y | B | -1.1883 | |
| 249 | D | B | -2.5459 | |
| 250 | A | B | 0.0000 | |
| 251 | I | B | 0.0000 | |
| 252 | K | B | -2.8360 | |
| 253 | E | B | -3.0837 | |
| 254 | Y | B | -1.7182 | |
| 255 | S | B | -2.1216 | |
| 256 | E | B | -2.7187 | |
| 257 | K | B | -1.9577 | |
| 258 | S | B | -1.0141 | |
| 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 | -0.0506 | |
| 265 | F | B | 0.0000 | |
| 266 | A | B | 0.1123 | |
| 267 | W | B | 0.0050 | |
| 268 | H | B | 0.0000 | |
| 269 | D | B | -0.1986 | |
| 270 | P | B | -0.7336 | |
| 271 | L | B | 0.7319 | |
| 272 | A | B | 0.0000 | |
| 273 | E | B | -2.8675 | |
| 274 | E | B | -3.0266 | |
| 275 | Y | B | -2.3475 | |
| 276 | K | B | -3.5516 | |
| 277 | D | B | -4.3624 | |
| 278 | E | B | -4.2573 | |
| 279 | V | B | 0.0000 | |
| 280 | E | B | -4.2073 | |
| 281 | E | B | -4.5711 | |
| 282 | I | B | -2.8994 | |
| 283 | R | B | 0.0000 | |
| 284 | K | B | -4.0369 | |
| 285 | K | B | -3.5888 | |
| 286 | D | B | -2.5732 | |
| 287 | Y | B | 0.0000 | |
| 288 | E | B | -1.9368 | |
| 289 | F | B | 0.0000 | |
| 290 | V | B | 0.0000 | |
| 291 | T | B | -0.9515 | |
| 292 | I | B | -0.3855 | |
| 293 | L | B | 0.0000 | |
| 294 | H | B | -1.3916 | |
| 295 | S | B | -1.2485 | |
| 296 | K | B | -2.1097 | |
| 297 | G | B | -1.6416 | |
| 298 | K | B | -1.4248 | |
| 299 | L | B | 0.0000 | |
| 300 | D | B | -0.7022 | |
| 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 | 0.3515 | |
| 308 | S | B | 0.0000 | |
| 309 | R | B | 0.0000 | |
| 310 | L | B | 0.6053 | |
| 311 | V | B | 0.0000 | |
| 312 | Y | B | 0.0000 | |
| 313 | G | B | 0.0000 | |
| 314 | A | B | -1.4075 | |
| 315 | K | B | -2.5954 | |
| 316 | D | B | -2.9511 | |
| 317 | G | B | -2.1623 | |
| 318 | H | B | -2.0222 | |
| 319 | L | B | -1.0007 | |
| 320 | V | B | -0.5213 | |
| 321 | P | B | 0.1886 | |
| 322 | L | B | 0.2605 | |
| 323 | P | B | -0.4079 | |
| 324 | G | B | -0.8127 | |
| 325 | Y | B | -0.2807 | |
| 326 | G | B | 0.0000 | |
| 327 | F | B | 0.8071 | |
| 328 | M | B | 0.0857 | |
| 329 | S | B | -1.0913 | |
| 330 | E | B | -2.6574 | |
| 331 | R | B | -2.5192 | |
| 332 | G | B | -1.6145 | |
| 333 | G | B | -1.2165 | |
| 334 | F | B | -1.2308 | |
| 335 | A | B | 0.0000 | |
| 336 | K | B | -1.9597 | |
| 337 | S | B | -1.1364 | |
| 338 | G | B | -1.3053 | |
| 339 | R | B | -1.0901 | |
| 340 | P | B | 0.0000 | |
| 341 | A | B | 0.0000 | |
| 342 | S | B | 0.0000 | |
| 343 | D | B | -0.9763 | |
| 344 | F | B | -0.3454 | |
| 345 | G | B | 0.0000 | |
| 346 | W | B | 0.1727 | |
| 347 | E | B | 0.0000 | |
| 348 | M | B | 0.0000 | |
| 349 | Y | B | 0.0534 | |
| 350 | P | B | 0.0000 | |
| 351 | E | B | -1.1520 | |
| 352 | G | B | 0.0000 | |
| 353 | L | B | 0.0000 | |
| 354 | E | B | -1.8533 | |
| 355 | N | B | -1.8510 | |
| 356 | L | B | 0.0000 | |
| 357 | L | B | 0.0000 | |
| 358 | K | B | -2.3406 | |
| 359 | Y | B | -0.9553 | |
| 360 | L | B | 0.0000 | |
| 361 | N | B | -2.3540 | |
| 362 | N | B | -2.0301 | |
| 363 | A | B | -1.1632 | |
| 364 | Y | B | 0.0000 | |
| 365 | E | B | -2.5018 | |
| 366 | L | B | 0.0000 | |
| 367 | P | B | -0.9858 | |
| 368 | M | B | 0.0000 | |
| 369 | I | B | 0.0000 | |
| 370 | I | B | 0.0000 | |
| 371 | T | B | 0.0000 | |
| 372 | E | B | -0.1527 | |
| 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 | -0.1566 | |
| 379 | A | B | 0.1570 | |
| 380 | D | B | 0.0000 | |
| 381 | R | B | 0.0000 | |
| 382 | Y | B | 0.0000 | |
| 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 | -1.2478 | |
| 393 | A | B | 0.0000 | |
| 394 | V | B | 0.0000 | |
| 395 | Y | B | -0.8296 | |
| 396 | N | B | -1.7986 | |
| 397 | A | B | 0.0000 | |
| 398 | M | B | -1.8929 | |
| 399 | K | B | -2.7785 | |
| 400 | E | B | -3.3125 | |
| 401 | G | B | -2.4425 | |
| 402 | A | B | 0.0000 | |
| 403 | D | B | -1.9346 | |
| 404 | V | B | 0.0000 | |
| 405 | R | B | -1.3395 | |
| 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 | -0.5153 | |
| 418 | W | B | 0.0000 | |
| 419 | A | B | -0.2492 | |
| 420 | Q | B | -0.5272 | |
| 421 | G | B | 0.0000 | |
| 422 | F | B | -0.5237 | |
| 423 | R | B | -1.1707 | |
| 424 | M | B | 0.0000 | |
| 425 | R | B | -0.3979 | |
| 426 | F | B | 0.0000 | |
| 427 | G | B | 0.0000 | |
| 428 | L | B | 0.0000 | |
| 429 | V | B | 0.0000 | |
| 430 | Y | B | -0.3036 | |
| 431 | V | B | 0.0000 | |
| 432 | D | B | -1.8600 | |
| 433 | F | B | 0.0000 | |
| 434 | E | B | -2.4949 | |
| 435 | T | B | -1.5847 | |
| 436 | K | B | 0.0000 | |
| 437 | K | B | -1.8091 | |
| 438 | R | B | -0.9205 | |
| 439 | Y | B | -0.7251 | |
| 440 | L | B | -0.0010 | |
| 441 | R | B | 0.0000 | |
| 442 | P | B | 0.0000 | |
| 443 | S | B | 0.0000 | |
| 444 | A | B | 0.0000 | |
| 445 | L | B | 0.0000 | |
| 446 | V | B | 0.0000 | |
| 447 | F | B | 0.0000 | |
| 448 | R | B | -1.6574 | |
| 449 | E | B | -1.1118 | |
| 450 | I | B | 0.0000 | |
| 451 | A | B | -1.2212 | |
| 452 | T | B | -1.0405 | |
| 453 | Q | B | -1.7304 | |
| 454 | K | B | -1.8103 | |
| 455 | E | B | -1.8019 | |
| 456 | I | B | -1.2507 | |
| 457 | P | B | 0.0000 | |
| 458 | E | B | -2.2463 | |
| 459 | E | B | -1.8784 | |
| 460 | L | B | 0.0000 | |
| 461 | A | B | -1.2943 | |
| 462 | H | B | -1.2098 | |
| 463 | L | B | 0.0000 | |
| 464 | A | B | 0.0000 | |
| 465 | D | B | -1.9714 | |
| 466 | L | B | 0.0000 | |
| 467 | K | B | -2.1280 | |
| 468 | F | B | -0.9348 | |
| 469 | V | B | -0.8879 | |
| 470 | T | B | -1.2647 | |
| 471 | R | B | -2.0416 | |
| 1 | A | C | -1.3892 | |
| 2 | K | C | -2.5290 | |
| 3 | F | C | 0.0000 | |
| 4 | P | C | -2.1567 | |
| 5 | K | C | -2.9431 | |
| 6 | N | C | -2.4808 | |
| 7 | F | C | 0.0000 | |
| 8 | M | C | -1.0362 | |
| 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 | -0.1080 | |
| 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 | -1.6015 | |
| 22 | L | C | -0.7486 | |
| 23 | P | C | -1.0377 | |
| 24 | G | C | -0.8980 | |
| 25 | S | C | 0.0000 | |
| 26 | E | C | -2.4418 | |
| 27 | V | C | -1.5781 | |
| 28 | E | C | -1.9253 | |
| 29 | S | C | 0.0000 | |
| 30 | D | C | 0.0000 | |
| 31 | W | C | 0.0000 | |
| 32 | W | C | -0.3230 | |
| 33 | V | C | -0.2306 | |
| 34 | W | C | 0.0000 | |
| 35 | V | C | 0.0000 | |
| 36 | H | C | -1.4924 | |
| 37 | D | C | -1.4185 | |
| 38 | K | C | -2.0660 | |
| 39 | E | C | -1.2389 | |
| 40 | N | C | 0.0000 | |
| 41 | I | C | -0.8521 | |
| 42 | A | C | -0.5150 | |
| 43 | S | C | 0.0000 | |
| 44 | G | C | -1.0554 | |
| 45 | L | C | 0.0000 | |
| 46 | V | C | 0.0000 | |
| 47 | S | C | -0.8861 | |
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| 49 | D | C | -1.7759 | |
| 50 | L | C | -1.1620 | |
| 51 | P | C | 0.0000 | |
| 52 | E | C | -2.6470 | |
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| 55 | P | C | 0.0000 | |
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| 180 | T | C | 0.0000 | |
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| 194 | H | C | -0.5851 | |
| 195 | L | C | 0.0000 | |
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| 198 | L | C | -1.3331 | |
| 199 | V | C | 0.0000 | |
| 200 | D | C | -1.2177 | |
| 201 | M | C | -0.5929 | |
| 202 | W | C | 0.0000 | |
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| 205 | M | C | 0.0000 | |
| 206 | N | C | 0.0000 | |
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| 208 | P | C | 0.0000 | |
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| 210 | V | C | -0.2812 | |
| 211 | V | C | 0.0000 | |
| 212 | Y | C | 0.0000 | |
| 213 | N | C | -1.2481 | |
| 214 | Q | C | -1.1303 | |
| 215 | G | C | 0.0000 | |
| 216 | Y | C | 0.0000 | |
| 217 | I | C | -0.7591 | |
| 218 | N | C | -1.4478 | |
| 219 | L | C | 0.0000 | |
| 220 | R | C | -1.7987 | |
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| 222 | G | C | 0.0000 | |
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| 228 | L | C | 0.0000 | |
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| 232 | A | C | 0.0000 | |
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| 236 | A | C | 0.0000 | |
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| 240 | L | C | 0.0000 | |
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| 244 | H | C | 0.0000 | |
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| 250 | A | C | 0.0000 | |
| 251 | I | C | 0.0000 | |
| 252 | K | C | -3.4389 | |
| 253 | E | C | -3.3578 | |
| 254 | Y | C | -1.9511 | |
| 255 | S | C | 0.0000 | |
| 256 | E | C | -2.8199 | |
| 257 | K | C | -2.0378 | |
| 258 | S | C | -1.2043 | |
| 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 | -0.0355 | |
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| 267 | W | C | 0.0000 | |
| 268 | H | C | 0.0000 | |
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| 276 | K | C | -4.3277 | |
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| 280 | E | C | -4.3135 | |
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| 283 | R | C | 0.0000 | |
| 284 | K | C | -4.3096 | |
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| 289 | F | C | 0.0000 | |
| 290 | V | C | 0.0000 | |
| 291 | T | C | -1.5426 | |
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| 293 | L | C | 0.0000 | |
| 294 | H | C | -1.5710 | |
| 295 | S | C | -1.2986 | |
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| 299 | L | C | 0.0000 | |
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| 301 | W | C | 0.0000 | |
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| 303 | G | C | 0.0000 | |
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| 308 | S | C | 0.0000 | |
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| 310 | L | C | 0.6482 | |
| 311 | V | C | 0.0000 | |
| 312 | Y | C | 0.0000 | |
| 313 | G | C | 0.0000 | |
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| 318 | H | C | -1.8267 | |
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| 325 | Y | C | 0.0033 | |
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| 327 | F | C | 0.8582 | |
| 328 | M | C | 0.1476 | |
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| 330 | E | C | -2.5944 | |
| 331 | R | C | -3.0205 | |
| 332 | G | C | -1.8482 | |
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| 334 | F | C | 0.5181 | |
| 335 | A | C | 0.0000 | |
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| 339 | R | C | -0.3495 | |
| 340 | P | C | 0.0000 | |
| 341 | A | C | 0.0000 | |
| 342 | S | C | 0.0000 | |
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| 360 | L | C | 0.0000 | |
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| 364 | Y | C | 0.0000 | |
| 365 | E | C | -2.5060 | |
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| 375 | M | C | 0.0000 | |
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| 381 | R | C | -0.5228 | |
| 382 | Y | C | 0.0000 | |
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| 384 | P | C | 0.0000 | |
| 385 | H | C | 0.0000 | |
| 386 | Y | C | 0.0000 | |
| 387 | L | C | 0.0000 | |
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| 389 | S | C | 0.0000 | |
| 390 | H | C | 0.0000 | |
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| 392 | K | C | -1.2842 | |
| 393 | A | C | 0.0000 | |
| 394 | V | C | 0.0000 | |
| 395 | Y | C | -1.4167 | |
| 396 | N | C | -2.0007 | |
| 397 | A | C | 0.0000 | |
| 398 | M | C | -2.1618 | |
| 399 | K | C | -2.9127 | |
| 400 | E | C | -3.1834 | |
| 401 | G | C | -2.5911 | |
| 402 | A | C | 0.0000 | |
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| 404 | V | C | 0.0000 | |
| 405 | R | C | -2.0662 | |
| 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 | |
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| 414 | D | C | 0.0000 | |
| 415 | N | C | 0.0000 | |
| 416 | Y | C | 0.0000 | |
| 417 | E | C | 0.0000 | |
| 418 | W | C | -0.0195 | |
| 419 | A | C | -0.5086 | |
| 420 | Q | C | -0.9768 | |
| 421 | G | C | 0.0000 | |
| 422 | F | C | -0.9358 | |
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| 424 | M | C | 0.0000 | |
| 425 | R | C | 0.0000 | |
| 426 | F | C | 0.0000 | |
| 427 | G | C | 0.0000 | |
| 428 | L | C | 0.0000 | |
| 429 | V | C | 0.0000 | |
| 430 | Y | C | -0.2962 | |
| 431 | V | C | 0.0000 | |
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| 433 | F | C | 0.0000 | |
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| 435 | T | C | -1.6011 | |
| 436 | K | C | -1.4887 | |
| 437 | K | C | -1.7532 | |
| 438 | R | C | -1.1346 | |
| 439 | Y | C | 0.0000 | |
| 440 | L | C | -0.4568 | |
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| 450 | I | C | 0.0000 | |
| 451 | A | C | 0.0000 | |
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| 453 | Q | C | -2.5297 | |
| 454 | K | C | -2.3772 | |
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| 469 | V | C | -0.7757 | |
| 470 | T | C | -1.1202 | |
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| 1 | A | D | -1.2203 | |
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| 3 | F | D | -1.6683 | |
| 4 | P | D | -2.0064 | |
| 5 | K | D | -2.7847 | |
| 6 | N | D | -2.3123 | |
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| 8 | M | D | 0.0000 | |
| 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 | |
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| 20 | M | D | 0.0000 | |
| 21 | G | D | 0.0000 | |
| 22 | L | D | -0.5314 | |
| 23 | P | D | -0.8662 | |
| 24 | G | D | -0.7599 | |
| 25 | S | D | 0.0000 | |
| 26 | E | D | -1.8113 | |
| 27 | V | D | -1.2956 | |
| 28 | E | D | -1.7996 | |
| 29 | S | D | 0.0000 | |
| 30 | D | D | 0.0000 | |
| 31 | W | D | 0.0000 | |
| 32 | W | D | -0.3545 | |
| 33 | V | D | -0.0769 | |
| 34 | W | D | 0.0000 | |
| 35 | V | D | 0.0000 | |
| 36 | H | D | -1.1370 | |
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| 38 | K | D | -1.6033 | |
| 39 | E | D | 0.0000 | |
| 40 | N | D | 0.0000 | |
| 41 | I | D | 0.1841 | |
| 42 | A | D | -0.0528 | |
| 43 | S | D | -0.5776 | |
| 44 | G | D | -0.5610 | |
| 45 | L | D | 0.0000 | |
| 46 | V | D | 0.0000 | |
| 47 | S | D | -0.3972 | |
| 48 | G | D | -0.5297 | |
| 49 | D | D | -0.9277 | |
| 50 | L | D | -0.8586 | |
| 51 | P | D | 0.0000 | |
| 52 | E | D | -2.3870 | |
| 53 | N | D | -2.2842 | |
| 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 | -0.4646 | |
| 60 | L | D | -0.6388 | |
| 61 | Y | D | -1.3614 | |
| 62 | K | D | -2.4922 | |
| 63 | Q | D | -2.2796 | |
| 64 | D | D | 0.0000 | |
| 65 | H | D | 0.0000 | |
| 66 | D | D | -3.2249 | |
| 67 | I | D | -1.8881 | |
| 68 | A | D | 0.0000 | |
| 69 | E | D | -2.7218 | |
| 70 | K | D | -2.6379 | |
| 71 | L | D | 0.0000 | |
| 72 | G | D | -1.5744 | |
| 73 | M | D | 0.0000 | |
| 74 | D | D | -1.3706 | |
| 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 | -0.8793 | |
| 85 | I | D | 0.0000 | |
| 86 | F | D | 0.0000 | |
| 87 | P | D | -1.3647 | |
| 88 | K | D | -1.9273 | |
| 89 | P | D | -0.9391 | |
| 90 | T | D | 0.0000 | |
| 91 | F | D | -0.7729 | |
| 92 | D | D | -2.0554 | |
| 93 | V | D | 0.0000 | |
| 94 | K | D | -2.7567 | |
| 95 | V | D | 0.0000 | |
| 96 | D | D | -3.1774 | |
| 97 | V | D | -2.0160 | |
| 98 | E | D | -2.6695 | |
| 99 | K | D | -3.0862 | |
| 100 | D | D | -3.2287 | |
| 101 | E | D | -3.5803 | |
| 102 | E | D | -3.2958 | |
| 103 | G | D | -2.7118 | |
| 104 | N | D | -1.6452 | |
| 105 | I | D | -0.5830 | |
| 106 | I | D | 0.6613 | |
| 107 | S | D | -0.7989 | |
| 108 | V | D | -1.6234 | |
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| 110 | V | D | 0.0000 | |
| 111 | P | D | -2.3668 | |
| 112 | E | D | -2.6164 | |
| 113 | S | D | -2.2179 | |
| 114 | T | D | 0.0000 | |
| 115 | I | D | 0.0000 | |
| 116 | K | D | -3.6528 | |
| 117 | E | D | -4.0885 | |
| 118 | L | D | 0.0000 | |
| 119 | E | D | -2.6172 | |
| 120 | K | D | -3.1163 | |
| 121 | I | D | 0.0000 | |
| 122 | A | D | -1.7708 | |
| 123 | N | D | -1.5154 | |
| 124 | M | D | -1.3005 | |
| 125 | E | D | -2.4297 | |
| 126 | A | D | 0.0000 | |
| 127 | L | D | 0.0000 | |
| 128 | E | D | -2.9985 | |
| 129 | H | D | -2.2129 | |
| 130 | Y | D | 0.0000 | |
| 131 | R | D | -2.3928 | |
| 132 | K | D | -2.3864 | |
| 133 | I | D | 0.0000 | |
| 134 | Y | D | 0.0000 | |
| 135 | S | D | -2.2552 | |
| 136 | D | D | -2.7451 | |
| 137 | W | D | 0.0000 | |
| 138 | K | D | -2.8328 | |
| 139 | E | D | -3.4040 | |
| 140 | R | D | -3.7641 | |
| 141 | G | D | -2.5240 | |
| 142 | K | D | -2.0245 | |
| 143 | T | D | -0.9026 | |
| 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 | -0.1984 | |
| 156 | W | D | -0.1086 | |
| 157 | I | D | 0.0000 | |
| 158 | H | D | 0.0000 | |
| 159 | D | D | -0.3476 | |
| 160 | P | D | 0.0000 | |
| 161 | I | D | 0.1393 | |
| 162 | A | D | -0.4561 | |
| 163 | V | D | 0.0000 | |
| 164 | R | D | -0.2000 | |
| 165 | K | D | -0.2254 | |
| 166 | L | D | 0.1276 | |
| 167 | G | D | -0.8629 | |
| 168 | P | D | -1.5098 | |
| 169 | D | D | -2.5136 | |
| 170 | R | D | -2.5223 | |
| 171 | A | D | -1.4472 | |
| 172 | P | D | -0.9742 | |
| 173 | A | D | 0.0000 | |
| 174 | G | D | 0.0000 | |
| 175 | W | D | 0.0000 | |
| 176 | L | D | 0.0000 | |
| 177 | D | D | -1.9848 | |
| 178 | E | D | -2.6960 | |
| 179 | K | D | -1.9942 | |
| 180 | T | D | 0.0000 | |
| 181 | V | D | -0.5289 | |
| 182 | V | D | -0.4982 | |
| 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 | 0.4170 | |
| 194 | H | D | -0.2144 | |
| 195 | L | D | 0.0000 | |
| 196 | D | D | -1.6510 | |
| 197 | D | D | -2.2559 | |
| 198 | L | D | 0.0000 | |
| 199 | V | D | 0.0000 | |
| 200 | D | D | -1.4403 | |
| 201 | M | D | -0.7331 | |
| 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 | -0.0934 | |
| 208 | P | D | 0.0000 | |
| 209 | N | D | -0.5625 | |
| 210 | V | D | 0.0056 | |
| 211 | V | D | 0.0246 | |
| 212 | Y | D | -0.4834 | |
| 213 | N | D | -0.7297 | |
| 214 | Q | D | -0.5916 | |
| 215 | G | D | 0.0000 | |
| 216 | Y | D | 0.0000 | |
| 217 | I | D | 0.0000 | |
| 218 | N | D | -0.7780 | |
| 219 | L | D | 0.0000 | |
| 220 | R | D | -2.2185 | |
| 221 | S | D | -1.0406 | |
| 222 | G | D | 0.0000 | |
| 223 | F | D | -0.1275 | |
| 224 | P | D | 0.0672 | |
| 225 | P | D | 0.0000 | |
| 226 | G | D | -0.2472 | |
| 227 | Y | D | 0.0857 | |
| 228 | L | D | 0.0000 | |
| 229 | S | D | 0.0000 | |
| 230 | F | D | -0.8821 | |
| 231 | E | D | -2.1653 | |
| 232 | A | D | 0.0000 | |
| 233 | A | D | 0.0000 | |
| 234 | E | D | -2.1778 | |
| 235 | K | D | -2.4109 | |
| 236 | A | D | 0.0000 | |
| 237 | K | D | -1.0636 | |
| 238 | F | D | -0.6606 | |
| 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 | -0.7317 | |
| 249 | D | D | -1.6035 | |
| 250 | A | D | 0.0000 | |
| 251 | I | D | 0.0000 | |
| 252 | K | D | -2.1769 | |
| 253 | E | D | -2.5244 | |
| 254 | Y | D | -1.2389 | |
| 255 | S | D | 0.0000 | |
| 256 | E | D | -2.5889 | |
| 257 | K | D | -1.8148 | |
| 258 | S | D | -0.9260 | |
| 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 | -0.1586 | |
| 265 | F | D | 0.0000 | |
| 266 | A | D | -0.0212 | |
| 267 | W | D | -0.1565 | |
| 268 | H | D | 0.0000 | |
| 269 | D | D | -0.2318 | |
| 270 | P | D | -1.2240 | |
| 271 | L | D | 0.5361 | |
| 272 | A | D | -1.0167 | |
| 273 | E | D | -2.9972 | |
| 274 | E | D | -3.4129 | |
| 275 | Y | D | -3.1361 | |
| 276 | K | D | -4.2456 | |
| 277 | D | D | -4.6865 | |
| 278 | E | D | -4.1345 | |
| 279 | V | D | 0.0000 | |
| 280 | E | D | -4.0518 | |
| 281 | E | D | -4.4801 | |
| 282 | I | D | -3.0041 | |
| 283 | R | D | 0.0000 | |
| 284 | K | D | -3.7101 | |
| 285 | K | D | -3.8080 | |
| 286 | D | D | -3.0939 | |
| 287 | Y | D | 0.0000 | |
| 288 | E | D | -2.5186 | |
| 289 | F | D | 0.0000 | |
| 290 | V | D | 0.0000 | |
| 291 | T | D | -1.1395 | |
| 292 | I | D | -0.3608 | |
| 293 | L | D | 0.0000 | |
| 294 | H | D | -1.2792 | |
| 295 | S | D | -0.9796 | |
| 296 | K | D | -1.6867 | |
| 297 | G | D | -1.3584 | |
| 298 | K | D | -1.0898 | |
| 299 | L | D | 0.0000 | |
| 300 | D | D | -0.5766 | |
| 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 | 0.2860 | |
| 308 | S | D | 0.0000 | |
| 309 | R | D | 0.0300 | |
| 310 | L | D | 0.4840 | |
| 311 | V | D | 0.0000 | |
| 312 | Y | D | 0.0000 | |
| 313 | G | D | 0.0000 | |
| 314 | A | D | -1.2160 | |
| 315 | K | D | -2.3352 | |
| 316 | D | D | -2.8485 | |
| 317 | G | D | -2.3856 | |
| 318 | H | D | -1.7014 | |
| 319 | L | D | -0.7975 | |
| 320 | V | D | 0.3861 | |
| 321 | P | D | 0.4179 | |
| 322 | L | D | 0.6032 | |
| 323 | P | D | -0.4082 | |
| 324 | G | D | -0.8742 | |
| 325 | Y | D | 0.0000 | |
| 326 | G | D | 0.0000 | |
| 327 | F | D | 0.4382 | |
| 328 | M | D | -0.0524 | |
| 329 | S | D | 0.0000 | |
| 330 | E | D | -2.6670 | |
| 331 | R | D | -2.4900 | |
| 332 | G | D | -1.5515 | |
| 333 | G | D | -1.0367 | |
| 334 | F | D | -1.1699 | |
| 335 | A | D | 0.0000 | |
| 336 | K | D | -2.2317 | |
| 337 | S | D | -1.2920 | |
| 338 | G | D | -1.5187 | |
| 339 | R | D | -1.2573 | |
| 340 | P | D | 0.0000 | |
| 341 | A | D | 0.0000 | |
| 342 | S | D | 0.0000 | |
| 343 | D | D | -1.4007 | |
| 344 | F | D | -0.7181 | |
| 345 | G | D | 0.0000 | |
| 346 | W | D | 0.1169 | |
| 347 | E | D | 0.0000 | |
| 348 | M | D | 0.0000 | |
| 349 | Y | D | -0.1667 | |
| 350 | P | D | 0.0000 | |
| 351 | E | D | -1.2558 | |
| 352 | G | D | 0.0000 | |
| 353 | L | D | 0.0000 | |
| 354 | E | D | -1.4991 | |
| 355 | N | D | -1.4062 | |
| 356 | L | D | 0.0000 | |
| 357 | L | D | 0.0000 | |
| 358 | K | D | -2.3152 | |
| 359 | Y | D | -1.2069 | |
| 360 | L | D | 0.0000 | |
| 361 | N | D | -2.3674 | |
| 362 | N | D | -2.0976 | |
| 363 | A | D | -1.2788 | |
| 364 | Y | D | 0.0000 | |
| 365 | E | D | -2.5586 | |
| 366 | L | D | -1.2659 | |
| 367 | P | D | -1.0606 | |
| 368 | M | D | 0.0000 | |
| 369 | I | D | 0.0000 | |
| 370 | I | D | 0.0000 | |
| 371 | T | D | 0.0000 | |
| 372 | E | D | -0.2101 | |
| 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 | -0.6276 | |
| 379 | A | D | 0.0000 | |
| 380 | D | D | 0.0000 | |
| 381 | R | D | -0.3186 | |
| 382 | Y | D | 0.0000 | |
| 383 | R | D | 0.0000 | |
| 384 | P | D | 0.0000 | |
| 385 | H | D | 0.0000 | |
| 386 | Y | D | 0.0000 | |
| 387 | L | D | 0.0672 | |
| 388 | V | D | 0.0000 | |
| 389 | S | D | 0.0000 | |
| 390 | H | D | 0.0000 | |
| 391 | L | D | 0.0000 | |
| 392 | K | D | -1.0398 | |
| 393 | A | D | 0.0000 | |
| 394 | V | D | 0.0000 | |
| 395 | Y | D | -0.6849 | |
| 396 | N | D | -1.6216 | |
| 397 | A | D | 0.0000 | |
| 398 | M | D | -1.7759 | |
| 399 | K | D | -2.7640 | |
| 400 | E | D | -3.0954 | |
| 401 | G | D | -2.5631 | |
| 402 | A | D | 0.0000 | |
| 403 | D | D | -2.0215 | |
| 404 | V | D | 0.0000 | |
| 405 | R | D | -1.4852 | |
| 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 | -0.5639 | |
| 418 | W | D | -0.0471 | |
| 419 | A | D | -0.6555 | |
| 420 | Q | D | -0.8705 | |
| 421 | G | D | 0.0000 | |
| 422 | F | D | -1.0249 | |
| 423 | R | D | -1.9349 | |
| 424 | M | D | 0.0000 | |
| 425 | R | D | -0.4718 | |
| 426 | F | D | 0.0938 | |
| 427 | G | D | 0.0000 | |
| 428 | L | D | 0.0000 | |
| 429 | V | D | 0.0000 | |
| 430 | Y | D | 0.0000 | |
| 431 | V | D | 0.0000 | |
| 432 | D | D | -1.4385 | |
| 433 | F | D | -1.6753 | |
| 434 | E | D | -2.3491 | |
| 435 | T | D | -1.6373 | |
| 436 | K | D | -1.4644 | |
| 437 | K | D | -1.9955 | |
| 438 | R | D | -1.2944 | |
| 439 | Y | D | -0.8996 | |
| 440 | L | D | -0.2030 | |
| 441 | R | D | 0.0000 | |
| 442 | P | D | 0.0000 | |
| 443 | S | D | 0.0000 | |
| 444 | A | D | 0.0000 | |
| 445 | L | D | 0.0000 | |
| 446 | V | D | 0.0000 | |
| 447 | F | D | 0.0000 | |
| 448 | R | D | -1.7440 | |
| 449 | E | D | -1.4885 | |
| 450 | I | D | 0.0000 | |
| 451 | A | D | 0.0000 | |
| 452 | T | D | -1.4035 | |
| 453 | Q | D | -1.7852 | |
| 454 | K | D | -2.2792 | |
| 455 | E | D | -1.8554 | |
| 456 | I | D | -1.2396 | |
| 457 | P | D | 0.0000 | |
| 458 | E | D | -2.0900 | |
| 459 | E | D | -1.4821 | |
| 460 | L | D | 0.0000 | |
| 461 | A | D | -1.2627 | |
| 462 | H | D | -1.1615 | |
| 463 | L | D | -0.7338 | |
| 464 | A | D | -1.1638 | |
| 465 | D | D | -2.1296 | |
| 466 | L | D | -1.5188 | |
| 467 | K | D | -2.0630 | |
| 468 | F | D | -0.5634 | |
| 469 | V | D | 0.0000 | |
| 470 | T | D | -1.4801 | |
| 471 | R | D | -2.2417 |
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 | -0.6587 | 2.4973 | View | CSV | PDB |
| 4.5 | -0.7357 | 2.4562 | View | CSV | PDB |
| 5.0 | -0.8329 | 2.401 | View | CSV | PDB |
| 5.5 | -0.932 | 2.3409 | View | CSV | PDB |
| 6.0 | -1.0128 | 2.2851 | View | CSV | PDB |
| 6.5 | -1.0591 | 2.243 | View | CSV | PDB |
| 7.0 | -1.0676 | 2.2193 | View | CSV | PDB |
| 7.5 | -1.0491 | 2.2151 | View | CSV | PDB |
| 8.0 | -1.0154 | 2.2643 | View | CSV | PDB |
| 8.5 | -0.9721 | 2.3139 | View | CSV | PDB |
| 9.0 | -0.9199 | 2.3635 | 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