| 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. (00:00:13)
[INFO] FoldX: Starting FoldX energy minimization (00:00:13)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (01:14:12)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/102685cc457caeb/tmp/folded.pdb (01:14:12)
[INFO] Main: Simulation completed successfully. (01:56:50)
|
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 | -1.7074 | |
| 2 | K | A | -2.4714 | |
| 3 | F | A | -1.9031 | |
| 4 | P | A | -2.0580 | |
| 5 | K | A | -2.7303 | |
| 6 | N | A | -2.2298 | |
| 7 | F | A | -1.6271 | |
| 8 | M | A | -0.7867 | |
| 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 | -0.4579 | |
| 23 | P | A | -0.9716 | |
| 24 | G | A | -1.1048 | |
| 25 | S | A | 0.0000 | |
| 26 | E | A | -2.4432 | |
| 27 | V | A | -1.6307 | |
| 28 | E | A | -1.8939 | |
| 29 | S | A | 0.0000 | |
| 30 | D | A | 0.0000 | |
| 31 | W | A | 0.0000 | |
| 32 | W | A | -0.0833 | |
| 33 | V | A | -0.0306 | |
| 34 | W | A | 0.0000 | |
| 35 | V | A | 0.0000 | |
| 36 | H | A | -0.6524 | |
| 37 | D | A | -0.9715 | |
| 38 | K | A | -1.7241 | |
| 39 | E | A | -0.9640 | |
| 40 | N | A | 0.0000 | |
| 41 | I | A | -0.4412 | |
| 42 | A | A | -0.3268 | |
| 43 | S | A | 0.0000 | |
| 44 | G | A | -0.9676 | |
| 45 | L | A | 0.0000 | |
| 46 | V | A | 0.0000 | |
| 47 | S | A | -0.7026 | |
| 48 | G | A | -0.8893 | |
| 49 | D | A | -1.1146 | |
| 50 | L | A | -0.1675 | |
| 51 | P | A | 0.0000 | |
| 52 | E | A | -1.9052 | |
| 53 | N | A | -1.7160 | |
| 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 | -0.5583 | |
| 60 | L | A | -0.6144 | |
| 61 | Y | A | 0.0000 | |
| 62 | K | A | -2.7567 | |
| 63 | Q | A | -2.3145 | |
| 64 | D | A | 0.0000 | |
| 65 | H | A | 0.0000 | |
| 66 | D | A | -2.9068 | |
| 67 | I | A | -1.5453 | |
| 68 | A | A | 0.0000 | |
| 69 | E | A | -1.9327 | |
| 70 | K | A | -1.6561 | |
| 71 | L | A | 0.0000 | |
| 72 | G | A | -1.7362 | |
| 73 | M | A | 0.0000 | |
| 74 | D | A | -1.5577 | |
| 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 | -1.3205 | |
| 88 | K | A | -1.8536 | |
| 89 | P | A | -0.9072 | |
| 90 | T | A | 0.0000 | |
| 91 | F | A | -0.7508 | |
| 92 | D | A | -1.9146 | |
| 93 | V | A | -1.7683 | |
| 94 | K | A | -2.4079 | |
| 95 | V | A | -2.3125 | |
| 96 | D | A | -3.2153 | |
| 97 | V | A | 0.0000 | |
| 98 | E | A | -3.1242 | |
| 99 | K | A | -3.2444 | |
| 100 | D | A | -3.7867 | |
| 101 | E | A | -4.0632 | |
| 102 | E | A | -3.4588 | |
| 103 | G | A | -2.7336 | |
| 104 | N | A | -1.9340 | |
| 105 | I | A | 0.0000 | |
| 106 | I | A | 0.0166 | |
| 107 | S | A | -1.1654 | |
| 108 | V | A | -1.8233 | |
| 109 | D | A | -3.1575 | |
| 110 | V | A | 0.0000 | |
| 111 | P | A | -2.1753 | |
| 112 | E | A | -2.6432 | |
| 113 | S | A | -2.2689 | |
| 114 | T | A | 0.0000 | |
| 115 | I | A | 0.0000 | |
| 116 | K | A | -3.7225 | |
| 117 | E | A | -3.8060 | |
| 118 | L | A | 0.0000 | |
| 119 | E | A | -3.0821 | |
| 120 | K | A | -3.1024 | |
| 121 | I | A | -1.6725 | |
| 122 | A | A | 0.0000 | |
| 123 | N | A | -1.7680 | |
| 124 | M | A | -1.7971 | |
| 125 | E | A | -2.5728 | |
| 126 | A | A | -1.8362 | |
| 127 | L | A | 0.0000 | |
| 128 | E | A | -3.1841 | |
| 129 | H | A | -2.4617 | |
| 130 | Y | A | 0.0000 | |
| 131 | R | A | -2.2543 | |
| 132 | K | A | -2.6940 | |
| 133 | I | A | 0.0000 | |
| 134 | Y | A | 0.0000 | |
| 135 | S | A | -2.2286 | |
| 136 | D | A | 0.0000 | |
| 137 | W | A | 0.0000 | |
| 138 | K | A | -3.1685 | |
| 139 | E | A | -2.9919 | |
| 140 | R | A | -2.5069 | |
| 141 | G | A | -2.1221 | |
| 142 | K | A | -2.0552 | |
| 143 | T | A | -1.2028 | |
| 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 | 0.1276 | |
| 152 | P | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | P | A | 0.0000 | |
| 155 | L | A | -0.2569 | |
| 156 | W | A | -0.3386 | |
| 157 | I | A | 0.0000 | |
| 158 | H | A | 0.0000 | |
| 159 | D | A | -0.3709 | |
| 160 | P | A | 0.0000 | |
| 161 | I | A | 0.2714 | |
| 162 | A | A | -0.3056 | |
| 163 | V | A | 0.0000 | |
| 164 | R | A | -0.3700 | |
| 165 | K | A | -0.5573 | |
| 166 | L | A | -0.6919 | |
| 167 | G | A | -1.2099 | |
| 168 | P | A | -1.6927 | |
| 169 | D | A | -2.6530 | |
| 170 | R | A | -2.6863 | |
| 171 | A | A | -1.4779 | |
| 172 | P | A | -0.8923 | |
| 173 | A | A | 0.0000 | |
| 174 | G | A | 0.0000 | |
| 175 | W | A | 0.0000 | |
| 176 | L | A | -1.4553 | |
| 177 | D | A | -1.9137 | |
| 178 | E | A | -2.5394 | |
| 179 | K | A | -2.0089 | |
| 180 | T | A | 0.0000 | |
| 181 | V | A | 0.0000 | |
| 182 | V | A | -1.1494 | |
| 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 | 0.2487 | |
| 194 | H | A | -0.1353 | |
| 195 | L | A | 0.0000 | |
| 196 | D | A | -1.6914 | |
| 197 | D | A | -2.3745 | |
| 198 | L | A | 0.0000 | |
| 199 | V | A | 0.0000 | |
| 200 | D | A | -1.8565 | |
| 201 | M | A | -0.8806 | |
| 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 | -0.1625 | |
| 208 | P | A | 0.0000 | |
| 209 | N | A | -0.5430 | |
| 210 | V | A | -0.2496 | |
| 211 | V | A | 0.0000 | |
| 212 | Y | A | -0.7381 | |
| 213 | N | A | -1.0237 | |
| 214 | Q | A | -0.8278 | |
| 215 | G | A | 0.0000 | |
| 216 | Y | A | 0.0000 | |
| 217 | I | A | -0.0492 | |
| 218 | N | A | -0.7708 | |
| 219 | L | A | -0.6115 | |
| 220 | R | A | -1.2606 | |
| 221 | S | A | -0.6882 | |
| 222 | G | A | 0.0000 | |
| 223 | F | A | 0.0000 | |
| 224 | P | A | 0.0000 | |
| 225 | P | A | 0.0000 | |
| 226 | G | A | -0.1046 | |
| 227 | Y | A | -0.0793 | |
| 228 | L | A | 0.0000 | |
| 229 | S | A | -0.6797 | |
| 230 | F | A | -0.8415 | |
| 231 | E | A | -2.2368 | |
| 232 | A | A | 0.0000 | |
| 233 | A | A | 0.0000 | |
| 234 | E | A | -2.6588 | |
| 235 | K | A | -2.2068 | |
| 236 | A | A | 0.0000 | |
| 237 | K | A | -1.0335 | |
| 238 | F | A | -0.4475 | |
| 239 | N | A | -0.9157 | |
| 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 | -0.6153 | |
| 249 | D | A | -1.3664 | |
| 250 | A | A | 0.0000 | |
| 251 | I | A | 0.0000 | |
| 252 | K | A | -2.0745 | |
| 253 | E | A | -2.5475 | |
| 254 | Y | A | -1.1721 | |
| 255 | S | A | 0.0000 | |
| 256 | E | A | -2.7200 | |
| 257 | K | A | -1.8469 | |
| 258 | S | A | -1.0417 | |
| 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 | -0.1622 | |
| 265 | F | A | 0.0000 | |
| 266 | A | A | -0.0963 | |
| 267 | W | A | 0.0000 | |
| 268 | H | A | 0.0000 | |
| 269 | D | A | -0.1732 | |
| 270 | P | A | -0.9088 | |
| 271 | L | A | 0.5766 | |
| 272 | A | A | -1.1210 | |
| 273 | E | A | -3.0596 | |
| 274 | E | A | -3.2961 | |
| 275 | Y | A | -3.4411 | |
| 276 | K | A | -3.6914 | |
| 277 | D | A | -4.2629 | |
| 278 | E | A | -4.2014 | |
| 279 | V | A | 0.0000 | |
| 280 | E | A | -3.7317 | |
| 281 | E | A | -4.0837 | |
| 282 | I | A | 0.0000 | |
| 283 | R | A | 0.0000 | |
| 284 | K | A | -3.8312 | |
| 285 | K | A | -3.9968 | |
| 286 | D | A | -3.1360 | |
| 287 | Y | A | 0.0000 | |
| 288 | E | A | -2.3978 | |
| 289 | F | A | 0.0000 | |
| 290 | V | A | 0.0000 | |
| 291 | T | A | -1.1295 | |
| 292 | I | A | -0.2523 | |
| 293 | L | A | 0.0000 | |
| 294 | H | A | -1.2886 | |
| 295 | S | A | -1.0090 | |
| 296 | K | A | -1.6672 | |
| 297 | G | A | -1.3321 | |
| 298 | K | A | -0.9405 | |
| 299 | L | A | -0.5447 | |
| 300 | D | A | -0.5329 | |
| 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 | 0.3377 | |
| 308 | S | A | 0.0000 | |
| 309 | R | A | 0.1013 | |
| 310 | L | A | 0.6488 | |
| 311 | V | A | 0.0000 | |
| 312 | Y | A | 0.0000 | |
| 313 | G | A | 0.0000 | |
| 314 | A | A | -1.0549 | |
| 315 | K | A | -2.2706 | |
| 316 | D | A | -2.9228 | |
| 317 | G | A | -2.1779 | |
| 318 | H | A | -1.6999 | |
| 319 | L | A | 0.0000 | |
| 320 | V | A | 0.9888 | |
| 321 | P | A | 1.2202 | |
| 322 | L | A | 1.0226 | |
| 323 | P | A | -0.0624 | |
| 324 | G | A | -0.6913 | |
| 325 | Y | A | -0.2611 | |
| 326 | G | A | 0.0000 | |
| 327 | F | A | 0.6758 | |
| 328 | M | A | 0.0487 | |
| 329 | S | A | 0.0000 | |
| 330 | E | A | -2.6644 | |
| 331 | R | A | -2.6137 | |
| 332 | G | A | -1.5721 | |
| 333 | G | A | -1.4347 | |
| 334 | F | A | -1.0952 | |
| 335 | A | A | 0.0000 | |
| 336 | K | A | -2.1754 | |
| 337 | S | A | -1.2800 | |
| 338 | G | A | 0.0000 | |
| 339 | R | A | -0.8958 | |
| 340 | P | A | 0.0000 | |
| 341 | A | A | 0.0000 | |
| 342 | S | A | 0.0000 | |
| 343 | D | A | -1.4278 | |
| 344 | F | A | -0.6880 | |
| 345 | G | A | 0.0000 | |
| 346 | W | A | 0.0908 | |
| 347 | E | A | 0.0000 | |
| 348 | M | A | 0.0000 | |
| 349 | Y | A | -0.1430 | |
| 350 | P | A | 0.0000 | |
| 351 | E | A | -1.3291 | |
| 352 | G | A | 0.0000 | |
| 353 | L | A | 0.0000 | |
| 354 | E | A | -1.3583 | |
| 355 | N | A | -1.5170 | |
| 356 | L | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | K | A | -1.8242 | |
| 359 | Y | A | -0.9631 | |
| 360 | L | A | 0.0000 | |
| 361 | N | A | -1.8059 | |
| 362 | N | A | -1.9407 | |
| 363 | A | A | -1.2901 | |
| 364 | Y | A | 0.0000 | |
| 365 | E | A | -2.4347 | |
| 366 | L | A | 0.0000 | |
| 367 | P | A | -0.9431 | |
| 368 | M | A | 0.0000 | |
| 369 | I | A | 0.0000 | |
| 370 | I | A | 0.0000 | |
| 371 | T | A | 0.0000 | |
| 372 | E | A | -0.1558 | |
| 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 | -0.4020 | |
| 379 | A | A | -0.1999 | |
| 380 | D | A | 0.0000 | |
| 381 | R | A | -0.4379 | |
| 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 | 0.0000 | |
| 390 | H | A | 0.0000 | |
| 391 | L | A | 0.0000 | |
| 392 | K | A | -1.3082 | |
| 393 | A | A | 0.0000 | |
| 394 | V | A | 0.0000 | |
| 395 | Y | A | 0.0000 | |
| 396 | N | A | -1.9979 | |
| 397 | A | A | 0.0000 | |
| 398 | M | A | 0.0000 | |
| 399 | K | A | -3.0722 | |
| 400 | E | A | -3.0807 | |
| 401 | G | A | -2.4136 | |
| 402 | A | A | 0.0000 | |
| 403 | D | A | -2.0772 | |
| 404 | V | A | 0.0000 | |
| 405 | R | A | -1.5375 | |
| 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 | -0.9078 | |
| 418 | W | A | 0.0000 | |
| 419 | A | A | -0.5020 | |
| 420 | Q | A | -1.2488 | |
| 421 | G | A | 0.0000 | |
| 422 | F | A | -0.9596 | |
| 423 | R | A | -2.0156 | |
| 424 | M | A | 0.0000 | |
| 425 | R | A | -0.5172 | |
| 426 | F | A | 0.0000 | |
| 427 | G | A | 0.0000 | |
| 428 | L | A | 0.0000 | |
| 429 | V | A | 0.0000 | |
| 430 | Y | A | -0.2593 | |
| 431 | V | A | 0.0000 | |
| 432 | D | A | -1.2850 | |
| 433 | F | A | -1.4974 | |
| 434 | E | A | -2.2913 | |
| 435 | T | A | -1.4473 | |
| 436 | K | A | -1.3954 | |
| 437 | K | A | -1.6046 | |
| 438 | R | A | 0.0000 | |
| 439 | Y | A | 0.0000 | |
| 440 | L | A | 0.0000 | |
| 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 | -1.9316 | |
| 449 | E | A | -1.8529 | |
| 450 | I | A | 0.0000 | |
| 451 | A | A | 0.0000 | |
| 452 | T | A | -1.9706 | |
| 453 | Q | A | -2.5796 | |
| 454 | K | A | -2.7341 | |
| 455 | E | A | -2.3065 | |
| 456 | I | A | 0.0000 | |
| 457 | P | A | -2.1321 | |
| 458 | E | A | -2.4499 | |
| 459 | E | A | -2.1882 | |
| 460 | L | A | 0.0000 | |
| 461 | A | A | -1.6176 | |
| 462 | H | A | -1.9585 | |
| 463 | L | A | 0.0000 | |
| 464 | A | A | -1.3903 | |
| 465 | D | A | -2.1797 | |
| 466 | L | A | 0.0000 | |
| 467 | K | A | -2.1179 | |
| 468 | F | A | -0.6064 | |
| 469 | V | A | -0.8360 | |
| 470 | T | A | -1.3634 | |
| 471 | R | A | -2.1712 | |
| 1 | A | B | -1.3078 | |
| 2 | K | B | -2.6041 | |
| 3 | F | B | -1.7870 | |
| 4 | P | B | -2.0459 | |
| 5 | K | B | -2.7361 | |
| 6 | N | B | -2.3209 | |
| 7 | F | B | -1.5648 | |
| 8 | M | B | -0.9217 | |
| 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 | -0.8181 | |
| 22 | L | B | -0.7445 | |
| 23 | P | B | -0.9444 | |
| 24 | G | B | -1.1017 | |
| 25 | S | B | 0.0000 | |
| 26 | E | B | -2.4300 | |
| 27 | V | B | 0.0000 | |
| 28 | E | B | -2.0014 | |
| 29 | S | B | 0.0000 | |
| 30 | D | B | 0.0000 | |
| 31 | W | B | 0.0000 | |
| 32 | W | B | -0.3955 | |
| 33 | V | B | -0.0876 | |
| 34 | W | B | 0.0000 | |
| 35 | V | B | 0.0000 | |
| 36 | H | B | -0.5260 | |
| 37 | D | B | -0.8868 | |
| 38 | K | B | -1.6098 | |
| 39 | E | B | -0.7892 | |
| 40 | N | B | 0.0000 | |
| 41 | I | B | -0.0769 | |
| 42 | A | B | -0.1367 | |
| 43 | S | B | 0.0000 | |
| 44 | G | B | -0.3656 | |
| 45 | L | B | 0.0000 | |
| 46 | V | B | 0.0000 | |
| 47 | S | B | -0.4449 | |
| 48 | G | B | -0.3016 | |
| 49 | D | B | -0.5967 | |
| 50 | L | B | -0.1848 | |
| 51 | P | B | 0.0000 | |
| 52 | E | B | -1.5741 | |
| 53 | N | B | -1.2500 | |
| 54 | G | B | 0.0000 | |
| 55 | P | B | 0.0000 | |
| 56 | A | B | 0.0000 | |
| 57 | Y | B | 0.0000 | |
| 58 | W | B | -0.5589 | |
| 59 | H | B | -0.8236 | |
| 60 | L | B | -0.8293 | |
| 61 | Y | B | 0.0000 | |
| 62 | K | B | -2.4673 | |
| 63 | Q | B | -2.2223 | |
| 64 | D | B | 0.0000 | |
| 65 | H | B | 0.0000 | |
| 66 | D | B | -3.0529 | |
| 67 | I | B | 0.0000 | |
| 68 | A | B | 0.0000 | |
| 69 | E | B | -2.4551 | |
| 70 | K | B | -1.9730 | |
| 71 | L | B | 0.0000 | |
| 72 | G | B | -1.7414 | |
| 73 | M | B | 0.0000 | |
| 74 | D | B | -1.3129 | |
| 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 | -0.6457 | |
| 84 | R | B | 0.0000 | |
| 85 | I | B | 0.0000 | |
| 86 | F | B | 0.0000 | |
| 87 | P | B | -1.2425 | |
| 88 | K | B | -1.6337 | |
| 89 | P | B | -0.8649 | |
| 90 | T | B | 0.0000 | |
| 91 | F | B | -0.4580 | |
| 92 | D | B | -1.9792 | |
| 93 | V | B | 0.0000 | |
| 94 | K | B | -2.5465 | |
| 95 | V | B | 0.0000 | |
| 96 | D | B | -2.7135 | |
| 97 | V | B | -2.0631 | |
| 98 | E | B | -2.8670 | |
| 99 | K | B | -3.5157 | |
| 100 | D | B | -4.1495 | |
| 101 | E | B | -4.0727 | |
| 102 | E | B | -3.6777 | |
| 103 | G | B | -3.0885 | |
| 104 | N | B | -2.3409 | |
| 105 | I | B | -1.2971 | |
| 106 | I | B | 0.0394 | |
| 107 | S | B | -1.1592 | |
| 108 | V | B | -1.4575 | |
| 109 | D | B | -2.6944 | |
| 110 | V | B | 0.0000 | |
| 111 | P | B | -1.8722 | |
| 112 | E | B | -2.4323 | |
| 113 | S | B | -2.1544 | |
| 114 | T | B | -2.3319 | |
| 115 | I | B | 0.0000 | |
| 116 | K | B | -3.2334 | |
| 117 | E | B | -3.7330 | |
| 118 | L | B | 0.0000 | |
| 119 | E | B | -2.4931 | |
| 120 | K | B | -2.6722 | |
| 121 | I | B | -1.7646 | |
| 122 | A | B | -1.7390 | |
| 123 | N | B | -1.6233 | |
| 124 | M | B | -1.6661 | |
| 125 | E | B | -2.5874 | |
| 126 | A | B | -1.8139 | |
| 127 | L | B | 0.0000 | |
| 128 | E | B | -3.1861 | |
| 129 | H | B | -2.3747 | |
| 130 | Y | B | 0.0000 | |
| 131 | R | B | -2.5059 | |
| 132 | K | B | -2.8272 | |
| 133 | I | B | 0.0000 | |
| 134 | Y | B | 0.0000 | |
| 135 | S | B | -2.1564 | |
| 136 | D | B | -2.1306 | |
| 137 | W | B | 0.0000 | |
| 138 | K | B | -2.6975 | |
| 139 | E | B | -2.9520 | |
| 140 | R | B | -2.2149 | |
| 141 | G | B | -1.9821 | |
| 142 | K | B | -1.8921 | |
| 143 | T | B | -1.2633 | |
| 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 | -0.0393 | |
| 151 | W | B | 0.1424 | |
| 152 | P | B | 0.0000 | |
| 153 | L | B | 0.0000 | |
| 154 | P | B | 0.0000 | |
| 155 | L | B | -0.2552 | |
| 156 | W | B | -0.2428 | |
| 157 | I | B | 0.0000 | |
| 158 | H | B | 0.0000 | |
| 159 | D | B | -0.1450 | |
| 160 | P | B | 0.0000 | |
| 161 | I | B | -0.1701 | |
| 162 | A | B | -0.6013 | |
| 163 | V | B | 0.0000 | |
| 164 | R | B | -0.7242 | |
| 165 | K | B | -1.4327 | |
| 166 | L | B | -0.9910 | |
| 167 | G | B | 0.0000 | |
| 168 | P | B | -1.7224 | |
| 169 | D | B | -2.6521 | |
| 170 | R | B | -2.7548 | |
| 171 | A | B | -1.5662 | |
| 172 | P | B | -0.7561 | |
| 173 | A | B | 0.0000 | |
| 174 | G | B | 0.0000 | |
| 175 | W | B | 0.0000 | |
| 176 | L | B | -1.4465 | |
| 177 | D | B | -2.0428 | |
| 178 | E | B | -2.6649 | |
| 179 | K | B | -2.5623 | |
| 180 | T | B | -1.3360 | |
| 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 | -0.4393 | |
| 194 | H | B | -0.4255 | |
| 195 | L | B | 0.0000 | |
| 196 | D | B | -1.7814 | |
| 197 | D | B | -2.3384 | |
| 198 | L | B | 0.0000 | |
| 199 | V | B | 0.0000 | |
| 200 | D | B | -2.1083 | |
| 201 | M | B | -0.9175 | |
| 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 | -0.0953 | |
| 208 | P | B | 0.0000 | |
| 209 | N | B | -0.4409 | |
| 210 | V | B | 0.1142 | |
| 211 | V | B | 0.2274 | |
| 212 | Y | B | -0.2103 | |
| 213 | N | B | -0.4067 | |
| 214 | Q | B | -0.4677 | |
| 215 | G | B | 0.0000 | |
| 216 | Y | B | 0.0000 | |
| 217 | I | B | -0.2452 | |
| 218 | N | B | -0.7345 | |
| 219 | L | B | -1.0307 | |
| 220 | R | B | -2.0158 | |
| 221 | S | B | -0.9948 | |
| 222 | G | B | 0.0000 | |
| 223 | F | B | -0.0825 | |
| 224 | P | B | 0.0000 | |
| 225 | P | B | 0.0000 | |
| 226 | G | B | -0.2252 | |
| 227 | Y | B | -0.1654 | |
| 228 | L | B | 0.0000 | |
| 229 | S | B | 0.0000 | |
| 230 | F | B | -0.7509 | |
| 231 | E | B | -2.1868 | |
| 232 | A | B | 0.0000 | |
| 233 | A | B | 0.0000 | |
| 234 | E | B | -2.3489 | |
| 235 | K | B | -2.0111 | |
| 236 | A | B | 0.0000 | |
| 237 | K | B | -0.7537 | |
| 238 | F | B | 0.0325 | |
| 239 | N | B | 0.0000 | |
| 240 | L | B | 0.0000 | |
| 241 | I | B | 0.0000 | |
| 242 | Q | B | 0.0900 | |
| 243 | A | B | 0.0000 | |
| 244 | H | B | 0.0000 | |
| 245 | I | B | -0.1407 | |
| 246 | G | B | 0.0000 | |
| 247 | A | B | 0.0000 | |
| 248 | Y | B | 0.0000 | |
| 249 | D | B | -2.9878 | |
| 250 | A | B | 0.0000 | |
| 251 | I | B | 0.0000 | |
| 252 | K | B | -3.4456 | |
| 253 | E | B | -3.3034 | |
| 254 | Y | B | -1.8586 | |
| 255 | S | B | 0.0000 | |
| 256 | E | B | -2.8840 | |
| 257 | K | B | -2.0210 | |
| 258 | S | B | -1.3164 | |
| 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 | -0.1709 | |
| 265 | F | B | 0.0000 | |
| 266 | A | B | 0.0502 | |
| 267 | W | B | -0.0652 | |
| 268 | H | B | 0.0000 | |
| 269 | D | B | -0.4690 | |
| 270 | P | B | -1.3083 | |
| 271 | L | B | 0.2142 | |
| 272 | A | B | -1.1628 | |
| 273 | E | B | -3.1087 | |
| 274 | E | B | -3.2705 | |
| 275 | Y | B | -2.7830 | |
| 276 | K | B | -4.1346 | |
| 277 | D | B | -4.6382 | |
| 278 | E | B | -4.2405 | |
| 279 | V | B | 0.0000 | |
| 280 | E | B | -4.6374 | |
| 281 | E | B | -4.7950 | |
| 282 | I | B | -3.3150 | |
| 283 | R | B | -3.6265 | |
| 284 | K | B | -4.1874 | |
| 285 | K | B | -4.1152 | |
| 286 | D | B | -3.4481 | |
| 287 | Y | B | 0.0000 | |
| 288 | E | B | -2.2013 | |
| 289 | F | B | 0.0000 | |
| 290 | V | B | 0.0000 | |
| 291 | T | B | -1.1185 | |
| 292 | I | B | -0.3978 | |
| 293 | L | B | 0.0000 | |
| 294 | H | B | -1.4496 | |
| 295 | S | B | -1.2317 | |
| 296 | K | B | -2.0941 | |
| 297 | G | B | -1.7056 | |
| 298 | K | B | -1.4732 | |
| 299 | L | B | 0.0000 | |
| 300 | D | B | -0.8725 | |
| 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 | 0.3414 | |
| 308 | S | B | 0.0000 | |
| 309 | R | B | 0.2850 | |
| 310 | L | B | 0.6921 | |
| 311 | V | B | 0.0000 | |
| 312 | Y | B | 0.2953 | |
| 313 | G | B | 0.0000 | |
| 314 | A | B | -1.3005 | |
| 315 | K | B | -2.9242 | |
| 316 | D | B | -3.2106 | |
| 317 | G | B | -2.2790 | |
| 318 | H | B | -2.1188 | |
| 319 | L | B | -1.0614 | |
| 320 | V | B | -0.4763 | |
| 321 | P | B | 0.2091 | |
| 322 | L | B | 0.3511 | |
| 323 | P | B | -0.2936 | |
| 324 | G | B | -0.5909 | |
| 325 | Y | B | -0.0474 | |
| 326 | G | B | 0.0000 | |
| 327 | F | B | 0.9407 | |
| 328 | M | B | 0.1830 | |
| 329 | S | B | 0.0000 | |
| 330 | E | B | -2.6525 | |
| 331 | R | B | -2.8987 | |
| 332 | G | B | -1.9328 | |
| 333 | G | B | -1.1452 | |
| 334 | F | B | -0.3793 | |
| 335 | A | B | 0.0000 | |
| 336 | K | B | -1.7711 | |
| 337 | S | B | -1.0291 | |
| 338 | G | B | -1.0414 | |
| 339 | R | B | -0.8693 | |
| 340 | P | B | 0.0000 | |
| 341 | A | B | 0.0000 | |
| 342 | S | B | 0.0000 | |
| 343 | D | B | -2.5103 | |
| 344 | F | B | -1.3033 | |
| 345 | G | B | 0.0000 | |
| 346 | W | B | 0.0734 | |
| 347 | E | B | 0.0000 | |
| 348 | M | B | 0.0000 | |
| 349 | Y | B | -0.1826 | |
| 350 | P | B | 0.0000 | |
| 351 | E | B | -1.2674 | |
| 352 | G | B | 0.0000 | |
| 353 | L | B | 0.0000 | |
| 354 | E | B | -1.4066 | |
| 355 | N | B | -1.1011 | |
| 356 | L | B | 0.0000 | |
| 357 | L | B | 0.0000 | |
| 358 | K | B | -1.7051 | |
| 359 | Y | B | -0.8283 | |
| 360 | L | B | 0.0000 | |
| 361 | N | B | -2.0960 | |
| 362 | N | B | -1.9010 | |
| 363 | A | B | -1.0194 | |
| 364 | Y | B | -1.2140 | |
| 365 | E | B | -2.5122 | |
| 366 | L | B | 0.0000 | |
| 367 | P | B | -1.1986 | |
| 368 | M | B | 0.0000 | |
| 369 | I | B | 0.0000 | |
| 370 | I | B | 0.0000 | |
| 371 | T | B | 0.0000 | |
| 372 | E | B | -0.1674 | |
| 373 | N | B | 0.0000 | |
| 374 | G | B | 0.0000 | |
| 375 | M | B | 0.0000 | |
| 376 | A | B | 0.0000 | |
| 377 | D | B | -0.8886 | |
| 378 | A | B | -0.7281 | |
| 379 | A | B | 0.0000 | |
| 380 | D | B | 0.0000 | |
| 381 | R | B | -0.3477 | |
| 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 | -0.8899 | |
| 393 | A | B | 0.0000 | |
| 394 | V | B | 0.0000 | |
| 395 | Y | B | -1.1826 | |
| 396 | N | B | -1.7089 | |
| 397 | A | B | 0.0000 | |
| 398 | M | B | -2.1560 | |
| 399 | K | B | -2.9692 | |
| 400 | E | B | -3.2289 | |
| 401 | G | B | -2.4198 | |
| 402 | A | B | 0.0000 | |
| 403 | D | B | -2.4925 | |
| 404 | V | B | 0.0000 | |
| 405 | R | B | -1.4340 | |
| 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 | -0.4149 | |
| 415 | N | B | 0.0000 | |
| 416 | Y | B | 0.0000 | |
| 417 | E | B | -0.6292 | |
| 418 | W | B | 0.0000 | |
| 419 | A | B | -0.6726 | |
| 420 | Q | B | -0.8689 | |
| 421 | G | B | 0.0000 | |
| 422 | F | B | -0.9590 | |
| 423 | R | B | -2.0626 | |
| 424 | M | B | -1.3353 | |
| 425 | R | B | -1.1058 | |
| 426 | F | B | 0.0000 | |
| 427 | G | B | 0.0000 | |
| 428 | L | B | 0.0000 | |
| 429 | V | B | 0.0000 | |
| 430 | Y | B | 0.0935 | |
| 431 | V | B | -0.1692 | |
| 432 | D | B | -0.5023 | |
| 433 | F | B | 0.4632 | |
| 434 | E | B | -1.3773 | |
| 435 | T | B | -1.0290 | |
| 436 | K | B | 0.0000 | |
| 437 | K | B | -1.7338 | |
| 438 | R | B | 0.0000 | |
| 439 | Y | B | -0.6351 | |
| 440 | L | B | 0.0000 | |
| 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 | -1.2761 | |
| 449 | E | B | -1.1698 | |
| 450 | I | B | 0.0000 | |
| 451 | A | B | 0.0000 | |
| 452 | T | B | -1.7615 | |
| 453 | Q | B | -2.4304 | |
| 454 | K | B | -3.0945 | |
| 455 | E | B | -2.3362 | |
| 456 | I | B | -1.3412 | |
| 457 | P | B | 0.0000 | |
| 458 | E | B | -1.9069 | |
| 459 | E | B | -1.1850 | |
| 460 | L | B | 0.0000 | |
| 461 | A | B | -0.9262 | |
| 462 | H | B | -1.1100 | |
| 463 | L | B | 0.0000 | |
| 464 | A | B | -1.2081 | |
| 465 | D | B | -2.3476 | |
| 466 | L | B | 0.0000 | |
| 467 | K | B | -2.4263 | |
| 468 | F | B | -1.2062 | |
| 469 | V | B | 0.0000 | |
| 470 | T | B | -1.5273 | |
| 471 | R | B | -1.9705 | |
| 1 | A | C | -1.0708 | |
| 2 | K | C | -2.4722 | |
| 3 | F | C | 0.0000 | |
| 4 | P | C | -2.0540 | |
| 5 | K | C | -2.8220 | |
| 6 | N | C | -2.3759 | |
| 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 | -0.0408 | |
| 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 | -1.4411 | |
| 22 | L | C | -0.6188 | |
| 23 | P | C | -0.9615 | |
| 24 | G | C | -1.0580 | |
| 25 | S | C | 0.0000 | |
| 26 | E | C | -2.4697 | |
| 27 | V | C | -1.5804 | |
| 28 | E | C | -1.9659 | |
| 29 | S | C | 0.0000 | |
| 30 | D | C | 0.0000 | |
| 31 | W | C | 0.0000 | |
| 32 | W | C | -0.4183 | |
| 33 | V | C | -0.5669 | |
| 34 | W | C | 0.0000 | |
| 35 | V | C | 0.0000 | |
| 36 | H | C | -1.5706 | |
| 37 | D | C | -1.3927 | |
| 38 | K | C | -2.0631 | |
| 39 | E | C | -1.1498 | |
| 40 | N | C | 0.0000 | |
| 41 | I | C | -0.6809 | |
| 42 | A | C | -0.4251 | |
| 43 | S | C | -0.3896 | |
| 44 | G | C | -0.3465 | |
| 45 | L | C | 0.0000 | |
| 46 | V | C | -0.5141 | |
| 47 | S | C | -0.6826 | |
| 48 | G | C | -1.3211 | |
| 49 | D | C | -2.2365 | |
| 50 | L | C | -1.5984 | |
| 51 | P | C | 0.0000 | |
| 52 | E | C | -2.6751 | |
| 53 | N | C | -2.3591 | |
| 54 | G | C | 0.0000 | |
| 55 | P | C | 0.0000 | |
| 56 | A | C | 0.0000 | |
| 57 | Y | C | 0.0000 | |
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| 59 | H | C | -0.5733 | |
| 60 | L | C | -0.5783 | |
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| 63 | Q | C | -2.1354 | |
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| 70 | K | C | -2.5275 | |
| 71 | L | C | 0.0000 | |
| 72 | G | C | -1.7258 | |
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| 80 | I | C | 0.0000 | |
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| 100 | D | C | -2.6016 | |
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| 105 | I | C | 0.0000 | |
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| 107 | S | C | -0.9455 | |
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| 110 | V | C | 0.0000 | |
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| 133 | I | C | 0.0000 | |
| 134 | Y | C | 0.0000 | |
| 135 | S | C | -2.1292 | |
| 136 | D | C | 0.0000 | |
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| 140 | R | C | -2.4215 | |
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| 142 | K | C | -1.9894 | |
| 143 | T | C | -1.1506 | |
| 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 | -0.0802 | |
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| 157 | I | C | 0.0000 | |
| 158 | H | C | 0.0000 | |
| 159 | D | C | -0.4035 | |
| 160 | P | C | 0.0000 | |
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| 163 | V | C | 0.0000 | |
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| 165 | K | C | -1.4314 | |
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| 168 | P | C | -1.7769 | |
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| 180 | T | C | 0.0000 | |
| 181 | V | C | 0.0000 | |
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| 183 | E | C | 0.0000 | |
| 184 | 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 | -0.2161 | |
| 194 | H | C | -0.5151 | |
| 195 | L | C | 0.0000 | |
| 196 | D | C | -1.7551 | |
| 197 | D | C | -2.6163 | |
| 198 | L | C | 0.0000 | |
| 199 | V | C | 0.0000 | |
| 200 | D | C | -2.0763 | |
| 201 | M | C | -0.9694 | |
| 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 | -0.3461 | |
| 208 | P | C | 0.0000 | |
| 209 | N | C | -0.6819 | |
| 210 | V | C | 0.0000 | |
| 211 | V | C | -0.1499 | |
| 212 | Y | C | -0.6450 | |
| 213 | N | C | -0.6652 | |
| 214 | Q | C | -0.8489 | |
| 215 | G | C | 0.0000 | |
| 216 | Y | C | 0.0000 | |
| 217 | I | C | -0.0973 | |
| 218 | N | C | -1.0085 | |
| 219 | L | C | 0.0000 | |
| 220 | R | C | -2.0763 | |
| 221 | S | C | -1.1146 | |
| 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 | -0.1507 | |
| 228 | L | C | -0.2194 | |
| 229 | S | C | -0.6064 | |
| 230 | F | C | -0.8886 | |
| 231 | E | C | -2.3477 | |
| 232 | A | C | 0.0000 | |
| 233 | A | C | 0.0000 | |
| 234 | E | C | -3.0090 | |
| 235 | K | C | -3.1558 | |
| 236 | A | C | 0.0000 | |
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| 238 | F | C | -0.8024 | |
| 239 | N | C | 0.0000 | |
| 240 | L | C | 0.0000 | |
| 241 | I | C | 0.3672 | |
| 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 | -1.3878 | |
| 249 | D | C | -2.7025 | |
| 250 | A | C | 0.0000 | |
| 251 | I | C | 0.0000 | |
| 252 | K | C | -3.1404 | |
| 253 | E | C | -3.1956 | |
| 254 | Y | C | -1.7911 | |
| 255 | S | C | 0.0000 | |
| 256 | E | C | -3.0838 | |
| 257 | K | C | -2.3076 | |
| 258 | S | C | -1.1478 | |
| 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 | -0.2320 | |
| 265 | F | C | 0.0000 | |
| 266 | A | C | -0.0219 | |
| 267 | W | C | 0.0000 | |
| 268 | H | C | 0.0000 | |
| 269 | D | C | -0.2319 | |
| 270 | P | C | -1.0148 | |
| 271 | L | C | 0.5643 | |
| 272 | A | C | -0.9861 | |
| 273 | E | C | -2.9354 | |
| 274 | E | C | -3.2631 | |
| 275 | Y | C | -2.8185 | |
| 276 | K | C | -3.8017 | |
| 277 | D | C | -4.4763 | |
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| 279 | V | C | 0.0000 | |
| 280 | E | C | -4.1881 | |
| 281 | E | C | -4.6755 | |
| 282 | I | C | -3.4891 | |
| 283 | R | C | 0.0000 | |
| 284 | K | C | -4.3620 | |
| 285 | K | C | -4.2457 | |
| 286 | D | C | -3.2947 | |
| 287 | Y | C | 0.0000 | |
| 288 | E | C | -3.0642 | |
| 289 | F | C | -1.3780 | |
| 290 | V | C | 0.0000 | |
| 291 | T | C | -1.4114 | |
| 292 | I | C | -0.4975 | |
| 293 | L | C | 0.0000 | |
| 294 | H | C | -1.4197 | |
| 295 | S | C | -1.1500 | |
| 296 | K | C | -1.6562 | |
| 297 | G | C | -1.4838 | |
| 298 | K | C | -1.5493 | |
| 299 | L | C | 0.0000 | |
| 300 | D | C | -0.7425 | |
| 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 | |
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| 308 | S | C | 0.0000 | |
| 309 | R | C | 0.0000 | |
| 310 | L | C | 0.6576 | |
| 311 | V | C | 0.0000 | |
| 312 | Y | C | 0.0000 | |
| 313 | G | C | 0.0000 | |
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| 315 | K | C | -2.8311 | |
| 316 | D | C | -3.0853 | |
| 317 | G | C | -2.4800 | |
| 318 | H | C | -2.2519 | |
| 319 | L | C | -1.1598 | |
| 320 | V | C | -0.2745 | |
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| 322 | L | C | 0.5673 | |
| 323 | P | C | -0.2499 | |
| 324 | G | C | -0.8802 | |
| 325 | Y | C | -0.1589 | |
| 326 | G | C | 0.0000 | |
| 327 | F | C | 0.6986 | |
| 328 | M | C | 0.3360 | |
| 329 | S | C | -0.9430 | |
| 330 | E | C | -2.6401 | |
| 331 | R | C | -2.6880 | |
| 332 | G | C | -1.6298 | |
| 333 | G | C | -1.4048 | |
| 334 | F | C | -0.7761 | |
| 335 | A | C | 0.0000 | |
| 336 | K | C | -2.0606 | |
| 337 | S | C | -1.1149 | |
| 338 | G | C | 0.0000 | |
| 339 | R | C | -0.8729 | |
| 340 | P | C | 0.0000 | |
| 341 | A | C | 0.0000 | |
| 342 | S | C | 0.0000 | |
| 343 | D | C | -1.5758 | |
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| 345 | G | C | 0.0000 | |
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| 347 | E | C | 0.0000 | |
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| 350 | P | C | 0.0000 | |
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| 352 | G | C | 0.0000 | |
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| 356 | L | C | 0.0000 | |
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| 359 | Y | C | -1.0791 | |
| 360 | L | C | 0.0000 | |
| 361 | N | C | -1.7409 | |
| 362 | N | C | -2.0505 | |
| 363 | A | C | -1.1615 | |
| 364 | Y | C | 0.0000 | |
| 365 | E | C | -2.3355 | |
| 366 | L | C | -1.1787 | |
| 367 | P | C | -0.8261 | |
| 368 | M | C | 0.0000 | |
| 369 | I | C | 0.0000 | |
| 370 | I | C | 0.0000 | |
| 371 | T | C | 0.0000 | |
| 372 | E | C | -0.1731 | |
| 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 | -0.3116 | |
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| 380 | D | C | 0.0000 | |
| 381 | R | C | -0.4392 | |
| 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 | -1.2939 | |
| 393 | A | C | 0.0000 | |
| 394 | V | C | 0.0000 | |
| 395 | Y | C | -1.1944 | |
| 396 | N | C | -1.5971 | |
| 397 | A | C | 0.0000 | |
| 398 | M | C | -1.8058 | |
| 399 | K | C | -2.6933 | |
| 400 | E | C | -3.0722 | |
| 401 | G | C | -2.2664 | |
| 402 | A | C | 0.0000 | |
| 403 | D | C | -1.6089 | |
| 404 | V | C | 0.0000 | |
| 405 | R | C | -1.6117 | |
| 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 | -0.6887 | |
| 418 | W | C | -0.1994 | |
| 419 | A | C | -0.7749 | |
| 420 | Q | C | -1.0735 | |
| 421 | G | C | 0.0000 | |
| 422 | F | C | -1.1504 | |
| 423 | R | C | -1.8219 | |
| 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 | -0.4096 | |
| 431 | V | C | 0.0000 | |
| 432 | D | C | -1.6291 | |
| 433 | F | C | 0.0000 | |
| 434 | E | C | -2.4579 | |
| 435 | T | C | -1.7894 | |
| 436 | K | C | -1.8307 | |
| 437 | K | C | -2.3690 | |
| 438 | R | C | -1.6327 | |
| 439 | Y | C | 0.0000 | |
| 440 | L | C | -0.4014 | |
| 441 | R | C | 0.0000 | |
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| 443 | S | C | 0.0000 | |
| 444 | A | C | 0.0000 | |
| 445 | L | C | 0.0000 | |
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| 447 | F | C | 0.0000 | |
| 448 | R | C | -2.0201 | |
| 449 | E | C | -1.4474 | |
| 450 | I | C | 0.0000 | |
| 451 | A | C | -1.4375 | |
| 452 | T | C | -1.3597 | |
| 453 | Q | C | -1.7317 | |
| 454 | K | C | -2.2348 | |
| 455 | E | C | -2.0664 | |
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| 457 | P | C | -1.7603 | |
| 458 | E | C | -2.2824 | |
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| 460 | L | C | 0.0000 | |
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| 463 | L | C | 0.0000 | |
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| 466 | L | C | 0.0000 | |
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| 468 | F | C | -0.8759 | |
| 469 | V | C | -0.9570 | |
| 470 | T | C | -1.3847 | |
| 471 | R | C | -2.0980 | |
| 1 | A | D | -1.2120 | |
| 2 | K | D | -2.4859 | |
| 3 | F | D | -1.7294 | |
| 4 | P | D | -2.0473 | |
| 5 | K | D | -2.8474 | |
| 6 | N | D | -2.4387 | |
| 7 | F | D | 0.0000 | |
| 8 | M | D | -1.0506 | |
| 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 | 0.0000 | |
| 22 | L | D | -0.5068 | |
| 23 | P | D | -0.8952 | |
| 24 | G | D | -1.2238 | |
| 25 | S | D | -1.3306 | |
| 26 | E | D | -2.4207 | |
| 27 | V | D | 0.0000 | |
| 28 | E | D | -1.8949 | |
| 29 | S | D | 0.0000 | |
| 30 | D | D | 0.0000 | |
| 31 | W | D | 0.0000 | |
| 32 | W | D | -0.4115 | |
| 33 | V | D | -0.0433 | |
| 34 | W | D | 0.0000 | |
| 35 | V | D | 0.0000 | |
| 36 | H | D | -0.8434 | |
| 37 | D | D | -1.0226 | |
| 38 | K | D | -1.7209 | |
| 39 | E | D | -0.8141 | |
| 40 | N | D | 0.0000 | |
| 41 | I | D | -0.2325 | |
| 42 | A | D | -0.1602 | |
| 43 | S | D | 0.0000 | |
| 44 | G | D | -0.4457 | |
| 45 | L | D | -0.3356 | |
| 46 | V | D | 0.0000 | |
| 47 | S | D | -0.4074 | |
| 48 | G | D | -0.5596 | |
| 49 | D | D | -0.5084 | |
| 50 | L | D | 0.5777 | |
| 51 | P | D | -0.4139 | |
| 52 | E | D | -1.1317 | |
| 53 | N | D | -0.4176 | |
| 54 | G | D | 0.0000 | |
| 55 | P | D | 0.0000 | |
| 56 | A | D | 0.0000 | |
| 57 | Y | D | 0.0000 | |
| 58 | W | D | -0.2814 | |
| 59 | H | D | -0.8400 | |
| 60 | L | D | -0.6668 | |
| 61 | Y | D | -1.0796 | |
| 62 | K | D | -2.2773 | |
| 63 | Q | D | -2.1914 | |
| 64 | D | D | 0.0000 | |
| 65 | H | D | 0.0000 | |
| 66 | D | D | -3.0363 | |
| 67 | I | D | 0.0000 | |
| 68 | A | D | 0.0000 | |
| 69 | E | D | -2.4270 | |
| 70 | K | D | -2.0576 | |
| 71 | L | D | 0.0000 | |
| 72 | G | D | -1.5893 | |
| 73 | M | D | 0.0000 | |
| 74 | D | D | -1.4643 | |
| 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 | -1.0098 | |
| 88 | K | D | -1.2679 | |
| 89 | P | D | -0.5334 | |
| 90 | T | D | 0.0000 | |
| 91 | F | D | -0.2369 | |
| 92 | D | D | -1.6639 | |
| 93 | V | D | 0.0000 | |
| 94 | K | D | -2.5809 | |
| 95 | V | D | -1.9784 | |
| 96 | D | D | -3.0511 | |
| 97 | V | D | -1.9064 | |
| 98 | E | D | -2.6822 | |
| 99 | K | D | -3.0776 | |
| 100 | D | D | -3.1649 | |
| 101 | E | D | -3.5686 | |
| 102 | E | D | -3.3332 | |
| 103 | G | D | -2.6504 | |
| 104 | N | D | -1.5787 | |
| 105 | I | D | 0.0000 | |
| 106 | I | D | 0.6709 | |
| 107 | S | D | -0.6910 | |
| 108 | V | D | -1.5203 | |
| 109 | D | D | -3.0479 | |
| 110 | V | D | -1.9050 | |
| 111 | P | D | -1.8595 | |
| 112 | E | D | -2.4600 | |
| 113 | S | D | -2.1279 | |
| 114 | T | D | 0.0000 | |
| 115 | I | D | 0.0000 | |
| 116 | K | D | -3.4783 | |
| 117 | E | D | -3.6688 | |
| 118 | L | D | 0.0000 | |
| 119 | E | D | -3.2026 | |
| 120 | K | D | -3.0787 | |
| 121 | I | D | 0.0000 | |
| 122 | A | D | -1.9211 | |
| 123 | N | D | -1.6166 | |
| 124 | M | D | -1.5606 | |
| 125 | E | D | -2.3178 | |
| 126 | A | D | 0.0000 | |
| 127 | L | D | 0.0000 | |
| 128 | E | D | -2.4382 | |
| 129 | H | D | -1.9912 | |
| 130 | Y | D | 0.0000 | |
| 131 | R | D | -2.6098 | |
| 132 | K | D | -2.3673 | |
| 133 | I | D | 0.0000 | |
| 134 | Y | D | 0.0000 | |
| 135 | S | D | -2.0272 | |
| 136 | D | D | -2.0978 | |
| 137 | W | D | 0.0000 | |
| 138 | K | D | -2.3305 | |
| 139 | E | D | -2.6365 | |
| 140 | R | D | -2.3785 | |
| 141 | G | D | -1.9142 | |
| 142 | K | D | -1.8431 | |
| 143 | T | D | -1.0801 | |
| 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 | 0.1660 | |
| 152 | P | D | 0.0000 | |
| 153 | L | D | 0.0000 | |
| 154 | P | D | 0.0000 | |
| 155 | L | D | -0.1244 | |
| 156 | W | D | -0.2363 | |
| 157 | I | D | 0.0000 | |
| 158 | H | D | 0.0000 | |
| 159 | D | D | -0.3070 | |
| 160 | P | D | 0.0000 | |
| 161 | I | D | -0.1502 | |
| 162 | A | D | 0.0000 | |
| 163 | V | D | 0.0000 | |
| 164 | R | D | -0.8671 | |
| 165 | K | D | -1.4832 | |
| 166 | L | D | -0.8942 | |
| 167 | G | D | 0.0000 | |
| 168 | P | D | -1.7432 | |
| 169 | D | D | -2.6669 | |
| 170 | R | D | -2.8041 | |
| 171 | A | D | -1.5639 | |
| 172 | P | D | -0.8536 | |
| 173 | A | D | -1.2434 | |
| 174 | G | D | 0.0000 | |
| 175 | W | D | 0.0000 | |
| 176 | L | D | 0.0000 | |
| 177 | D | D | -2.0845 | |
| 178 | E | D | -2.5888 | |
| 179 | K | D | -1.8756 | |
| 180 | T | D | 0.0000 | |
| 181 | V | D | 0.0000 | |
| 182 | V | D | -0.8357 | |
| 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 | 0.6634 | |
| 194 | H | D | -0.3118 | |
| 195 | L | D | 0.0000 | |
| 196 | D | D | -1.3167 | |
| 197 | D | D | -2.0875 | |
| 198 | L | D | -1.7340 | |
| 199 | V | D | 0.0000 | |
| 200 | D | D | -1.1939 | |
| 201 | M | D | -0.3608 | |
| 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 | -0.2079 | |
| 208 | P | D | 0.0000 | |
| 209 | N | D | -0.5803 | |
| 210 | V | D | -0.1040 | |
| 211 | V | D | -0.0508 | |
| 212 | Y | D | 0.0000 | |
| 213 | N | D | -0.7501 | |
| 214 | Q | D | -0.5362 | |
| 215 | G | D | 0.0000 | |
| 216 | Y | D | 0.0000 | |
| 217 | I | D | -0.2306 | |
| 218 | N | D | -0.2999 | |
| 219 | L | D | 0.0000 | |
| 220 | R | D | -0.6809 | |
| 221 | S | D | -0.3005 | |
| 222 | G | D | 0.0000 | |
| 223 | F | D | 0.1850 | |
| 224 | P | D | 0.0398 | |
| 225 | P | D | 0.0000 | |
| 226 | G | D | 0.0000 | |
| 227 | Y | D | -0.4018 | |
| 228 | L | D | 0.0000 | |
| 229 | S | D | -0.6608 | |
| 230 | F | D | -0.7470 | |
| 231 | E | D | -2.4201 | |
| 232 | A | D | 0.0000 | |
| 233 | A | D | 0.0000 | |
| 234 | E | D | -2.8952 | |
| 235 | K | D | -2.7086 | |
| 236 | A | D | 0.0000 | |
| 237 | K | D | -1.5847 | |
| 238 | F | D | -0.6947 | |
| 239 | N | D | 0.0000 | |
| 240 | L | D | 0.0000 | |
| 241 | I | D | 0.3038 | |
| 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 | -0.6836 | |
| 249 | D | D | -1.2331 | |
| 250 | A | D | 0.0000 | |
| 251 | I | D | 0.0000 | |
| 252 | K | D | -2.1619 | |
| 253 | E | D | -2.4434 | |
| 254 | Y | D | -1.0122 | |
| 255 | S | D | 0.0000 | |
| 256 | E | D | -2.4933 | |
| 257 | K | D | -1.7980 | |
| 258 | S | D | -0.9423 | |
| 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 | -0.1280 | |
| 265 | F | D | 0.0000 | |
| 266 | A | D | 0.1075 | |
| 267 | W | D | -0.2452 | |
| 268 | H | D | 0.0000 | |
| 269 | D | D | -0.4694 | |
| 270 | P | D | -1.0145 | |
| 271 | L | D | 0.5944 | |
| 272 | A | D | -1.0455 | |
| 273 | E | D | -3.1473 | |
| 274 | E | D | -3.4154 | |
| 275 | Y | D | -2.9981 | |
| 276 | K | D | -4.3202 | |
| 277 | D | D | -4.5697 | |
| 278 | E | D | -4.1359 | |
| 279 | V | D | 0.0000 | |
| 280 | E | D | -3.9038 | |
| 281 | E | D | -4.2880 | |
| 282 | I | D | -2.5910 | |
| 283 | R | D | 0.0000 | |
| 284 | K | D | -3.7672 | |
| 285 | K | D | -3.6807 | |
| 286 | D | D | -2.5938 | |
| 287 | Y | D | 0.0000 | |
| 288 | E | D | -2.6360 | |
| 289 | F | D | 0.0000 | |
| 290 | V | D | 0.0000 | |
| 291 | T | D | -1.2020 | |
| 292 | I | D | -0.5063 | |
| 293 | L | D | 0.0000 | |
| 294 | H | D | -1.2553 | |
| 295 | S | D | -1.0127 | |
| 296 | K | D | -1.6596 | |
| 297 | G | D | -1.4493 | |
| 298 | K | D | -1.2389 | |
| 299 | L | D | 0.0000 | |
| 300 | D | D | -0.7692 | |
| 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 | 0.3252 | |
| 308 | S | D | 0.0000 | |
| 309 | R | D | 0.0283 | |
| 310 | L | D | 0.4789 | |
| 311 | V | D | 0.0000 | |
| 312 | Y | D | 0.0000 | |
| 313 | G | D | 0.0000 | |
| 314 | A | D | -1.3078 | |
| 315 | K | D | -2.8304 | |
| 316 | D | D | -3.0226 | |
| 317 | G | D | -2.4121 | |
| 318 | H | D | -2.1023 | |
| 319 | L | D | -1.0009 | |
| 320 | V | D | -0.1936 | |
| 321 | P | D | 0.3917 | |
| 322 | L | D | 0.6887 | |
| 323 | P | D | -0.2175 | |
| 324 | G | D | -0.6377 | |
| 325 | Y | D | -0.1261 | |
| 326 | G | D | 0.0000 | |
| 327 | F | D | 1.1334 | |
| 328 | M | D | 0.4333 | |
| 329 | S | D | -0.9671 | |
| 330 | E | D | -2.4938 | |
| 331 | R | D | -2.3436 | |
| 332 | G | D | -1.3167 | |
| 333 | G | D | -1.2153 | |
| 334 | F | D | -1.0848 | |
| 335 | A | D | 0.0000 | |
| 336 | K | D | -2.1507 | |
| 337 | S | D | -1.2315 | |
| 338 | G | D | -1.4443 | |
| 339 | R | D | -1.0546 | |
| 340 | P | D | 0.0000 | |
| 341 | A | D | 0.0000 | |
| 342 | S | D | 0.0000 | |
| 343 | D | D | -1.0123 | |
| 344 | F | D | 0.1056 | |
| 345 | G | D | 0.0000 | |
| 346 | W | D | 0.2713 | |
| 347 | E | D | 0.0000 | |
| 348 | M | D | 0.0000 | |
| 349 | Y | D | 0.0000 | |
| 350 | P | D | -1.2411 | |
| 351 | E | D | -2.1548 | |
| 352 | G | D | 0.0000 | |
| 353 | L | D | 0.0000 | |
| 354 | E | D | -1.5024 | |
| 355 | N | D | -1.2391 | |
| 356 | L | D | 0.0000 | |
| 357 | L | D | 0.0000 | |
| 358 | K | D | -1.6356 | |
| 359 | Y | D | -0.6397 | |
| 360 | L | D | 0.0000 | |
| 361 | N | D | -2.2099 | |
| 362 | N | D | -2.0078 | |
| 363 | A | D | -1.0855 | |
| 364 | Y | D | -1.2498 | |
| 365 | E | D | -2.5101 | |
| 366 | L | D | 0.0000 | |
| 367 | P | D | -1.1113 | |
| 368 | M | D | 0.0000 | |
| 369 | I | D | 0.0000 | |
| 370 | I | D | 0.0000 | |
| 371 | T | D | 0.0000 | |
| 372 | E | D | 0.0000 | |
| 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 | -0.2150 | |
| 379 | A | D | -0.4634 | |
| 380 | D | D | 0.0000 | |
| 381 | R | D | -0.3041 | |
| 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 | 0.0000 | |
| 388 | V | D | 0.0000 | |
| 389 | S | D | 0.0000 | |
| 390 | H | D | 0.0000 | |
| 391 | L | D | 0.0000 | |
| 392 | K | D | -0.8193 | |
| 393 | A | D | 0.0000 | |
| 394 | V | D | 0.0000 | |
| 395 | Y | D | -0.8599 | |
| 396 | N | D | -1.7783 | |
| 397 | A | D | 0.0000 | |
| 398 | M | D | -2.0255 | |
| 399 | K | D | -2.8618 | |
| 400 | E | D | -3.1713 | |
| 401 | G | D | -2.4522 | |
| 402 | A | D | 0.0000 | |
| 403 | D | D | -2.3564 | |
| 404 | V | D | 0.0000 | |
| 405 | R | D | -1.4988 | |
| 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 | -0.7305 | |
| 418 | W | D | -0.1073 | |
| 419 | A | D | -0.2067 | |
| 420 | Q | D | -1.0831 | |
| 421 | G | D | 0.0000 | |
| 422 | F | D | -0.8044 | |
| 423 | R | D | -1.8147 | |
| 424 | M | D | -0.6578 | |
| 425 | R | D | -0.3920 | |
| 426 | F | D | 0.0000 | |
| 427 | G | D | 0.0000 | |
| 428 | L | D | 0.0000 | |
| 429 | V | D | 0.0000 | |
| 430 | Y | D | 0.0712 | |
| 431 | V | D | 0.0000 | |
| 432 | D | D | -0.9229 | |
| 433 | F | D | -0.3953 | |
| 434 | E | D | -1.9188 | |
| 435 | T | D | -1.2412 | |
| 436 | K | D | 0.0000 | |
| 437 | K | D | -1.7604 | |
| 438 | R | D | 0.0000 | |
| 439 | Y | D | -0.4803 | |
| 440 | L | D | 0.0000 | |
| 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 | -1.1517 | |
| 449 | E | D | 0.0000 | |
| 450 | I | D | 0.0000 | |
| 451 | A | D | 0.0000 | |
| 452 | T | D | -1.1430 | |
| 453 | Q | D | -1.6340 | |
| 454 | K | D | -2.6138 | |
| 455 | E | D | -1.9230 | |
| 456 | I | D | -1.1483 | |
| 457 | P | D | -1.4682 | |
| 458 | E | D | -2.0529 | |
| 459 | E | D | -1.5595 | |
| 460 | L | D | 0.0000 | |
| 461 | A | D | -1.0438 | |
| 462 | H | D | -1.1039 | |
| 463 | L | D | 0.0000 | |
| 464 | A | D | 0.0000 | |
| 465 | D | D | -1.6036 | |
| 466 | L | D | 0.0000 | |
| 467 | K | D | -2.1970 | |
| 468 | F | D | -1.0785 | |
| 469 | V | D | 0.0000 | |
| 470 | T | D | -1.5342 | |
| 471 | R | D | -2.3345 |
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 | -0.6623 | 3.2191 | View | CSV | PDB |
| 4.5 | -0.7414 | 3.0792 | View | CSV | PDB |
| 5.0 | -0.8403 | 2.9013 | View | CSV | PDB |
| 5.5 | -0.9403 | 2.8481 | View | CSV | PDB |
| 6.0 | -1.0209 | 2.8023 | View | CSV | PDB |
| 6.5 | -1.0659 | 2.7715 | View | CSV | PDB |
| 7.0 | -1.0729 | 2.7563 | View | CSV | PDB |
| 7.5 | -1.053 | 2.7504 | View | CSV | PDB |
| 8.0 | -1.0181 | 2.7484 | View | CSV | PDB |
| 8.5 | -0.9735 | 2.7477 | View | CSV | PDB |
| 9.0 | -0.9199 | 2.7474 | 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