| Chain sequence(s) |
A: MNFLLKWKHWKLKLLLYLHHAKWSQAAPMAEGGGQNHHEVVKFMDVYQRSYCHPAETLVDAFQEYPDEIEYIFKPSCVPLMRCGGCCNDEGLECVPTEESNITMAIMRAKPHQGQHIGEMSFLQHNKCECRPKKDRARQENPCGPCSERRKHLFVQDPQTCKCSCKNTDSRCKMGGGGSLAEAKVLANRELDKYGVSDYYKNLINNAKTVEGVKALIDEILAALPGGGGSENLYFQGMNKEILAVVEAVSNEKALPREKIFEALESALATATKKKYEQEIDVELEVSDIAKASSELEKVAEKQAIDDKVAAASDYDKAEYVSGKMEKVVGMLTKYQNRETVHAYQNAIAGPIQVGIRSYFDPVHDQNQPVWEVMEKEPVLEALVEPELALVDFSDQESEMVQLVKLVNDIDEEAESEAEIELEAEEDLEEEGMVEAEAELTPENVVEEEAEEGDEKADEAEAEPEAKKDDEKSGEEAEEPVDVAAKAGSGKPVLYYPEDDKRVETGREKVGKDNKEKSEEEKKAGEGKETGGGKDWTSDDMIEKRWADDDVDSVLEDVECMAELDFDEGAVVQAGLEELRTAIDENLADFAVPKLKEARKLSDEDAEKFKEEILKEFEDAKPRLRSDMVMENFVEEELCVVKMDDKAMTDEELEKLTDNVAEEISKNGSEENLSDEDKAKDSAKTDEAEAAEAQKEE
B: MNFLLKWKHWKLKLLLYLHHAKWSQAAPMAEGGGQNHHEVVKFMDVYQRSYCHPAETLVDAFQEYPDEIEYIFKPSCVPLMRCGGCCNDEGLECVPTEESNITMAIMRAKPHQGQHIGEMSFLQHNKCECRPKKDRARQENPCGPCSERRKHLFVQDPQTCKCSCKNTDSRCKMGGGGSLAEAKVLANRELDKYGVSDYYKNLINNAKTVEGVKALIDEILAALPGGGGSENLYFQGMNKEILAVVEAVSNEKALPREKIFEALESALATATKKKYEQEIDVELEVSDIAKASSELEKVAEKQAIDDKVAAASDYDKAEYVSGKMEKVVGMLTKYQNRETVHAYQNAIAGPIQVGIRSYFDPVHDQNQPVWEVMEKEPVLEALVEPELALVDFSDQESEMVQLVKLVNDIDEEAESEAEIELEAEEDLEEEGMVEAEAELTPENVVEEEAEEGDEKADEAEAEPEAKKDDEKSGEEAEEPVDVAAKAGSGKPVLYYPEDDKRVETGREKVGKDNKEKSEEEKKAGEGKETGGGKDWTSDDMIEKRWADDDVDSVLEDVECMAELDFDEGAVVQAGLEELRTAIDENLADFAVPKLKEARKLSDEDAEKFKEEILKEFEDAKPRLRSDMVMENFVEEELCVVKMDDKAMTDEELEKLTDNVAEEISKNGSEENLSDEDKAKDSAKTDEAEAAEAQKEE input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[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 partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:10)
[INFO] FoldX: Starting FoldX energy minimization (00:00:11)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:58:05)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/fc028367d1da4b8/tmp/folded.pdb (00:58:05)
[INFO] Main: Simulation completed successfully. (01:28:10)
|
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 | M | A | 1.3372 | |
| 2 | N | A | 0.4816 | |
| 3 | F | A | 1.7440 | |
| 4 | L | A | 1.5987 | |
| 5 | L | A | 0.6010 | |
| 6 | K | A | -0.7252 | |
| 7 | W | A | -0.2602 | |
| 8 | K | A | -1.2704 | |
| 9 | H | A | -1.2544 | |
| 10 | W | A | -0.3156 | |
| 11 | K | A | -0.8219 | |
| 12 | L | A | 0.2669 | |
| 13 | K | A | -0.3167 | |
| 14 | L | A | 0.8389 | |
| 15 | L | A | 1.7062 | |
| 16 | L | A | 1.2073 | |
| 17 | Y | A | 1.4934 | |
| 18 | L | A | 1.0003 | |
| 19 | H | A | -0.2086 | |
| 20 | H | A | -0.4407 | |
| 21 | A | A | -0.5100 | |
| 22 | K | A | -1.6262 | |
| 23 | W | A | -0.3437 | |
| 24 | S | A | -0.8792 | |
| 25 | Q | A | -1.6577 | |
| 26 | A | A | -0.5795 | |
| 27 | A | A | -0.2176 | |
| 28 | P | A | -0.2851 | |
| 29 | M | A | 0.3374 | |
| 30 | A | A | -0.7513 | |
| 31 | E | A | -2.1219 | |
| 32 | G | A | -1.9921 | |
| 33 | G | A | -2.2440 | |
| 34 | G | A | -2.4608 | |
| 35 | Q | A | -2.9789 | |
| 36 | N | A | -3.2171 | |
| 37 | H | A | -3.0225 | |
| 38 | H | A | -2.6665 | |
| 39 | E | A | -2.3648 | |
| 40 | V | A | -0.8086 | |
| 41 | V | A | -0.5765 | |
| 42 | K | A | -1.3541 | |
| 43 | F | A | 0.0000 | |
| 44 | M | A | -1.0815 | |
| 45 | D | A | -1.9960 | |
| 46 | V | A | 0.0000 | |
| 47 | Y | A | -0.9638 | |
| 48 | Q | A | -1.7291 | |
| 49 | R | A | -2.1631 | |
| 50 | S | A | 0.0000 | |
| 51 | Y | A | -0.7328 | |
| 52 | C | A | 0.0000 | |
| 53 | H | A | -1.2233 | |
| 54 | P | A | -0.9875 | |
| 55 | A | A | -0.9074 | |
| 56 | E | A | -0.8913 | |
| 57 | T | A | -0.3990 | |
| 58 | L | A | -0.1156 | |
| 59 | V | A | -0.3056 | |
| 60 | D | A | -0.7811 | |
| 61 | A | A | 0.0000 | |
| 62 | F | A | 0.2637 | |
| 63 | Q | A | -1.1116 | |
| 64 | E | A | 0.0000 | |
| 65 | Y | A | 0.0000 | |
| 66 | P | A | -0.0144 | |
| 67 | D | A | 0.0530 | |
| 68 | E | A | 0.7151 | |
| 69 | I | A | 1.8384 | |
| 70 | E | A | 0.5564 | |
| 71 | Y | A | 0.0000 | |
| 72 | I | A | 0.7451 | |
| 73 | F | A | 0.0000 | |
| 74 | K | A | -0.6583 | |
| 75 | P | A | 0.0000 | |
| 76 | S | A | -0.5810 | |
| 77 | C | A | 0.0000 | |
| 78 | V | A | 0.0000 | |
| 79 | P | A | 0.0000 | |
| 80 | L | A | 0.0000 | |
| 81 | M | A | -0.5085 | |
| 82 | R | A | -0.7020 | |
| 83 | C | A | -0.6513 | |
| 84 | G | A | -0.2285 | |
| 85 | G | A | -0.5494 | |
| 86 | C | A | -0.8611 | |
| 87 | C | A | -1.5037 | |
| 88 | N | A | -1.6120 | |
| 89 | D | A | -2.4394 | |
| 90 | E | A | -2.7123 | |
| 91 | G | A | -2.6594 | |
| 92 | L | A | -2.8740 | |
| 93 | E | A | -3.0337 | |
| 94 | C | A | -1.1813 | |
| 95 | V | A | -1.3814 | |
| 96 | P | A | -1.8083 | |
| 97 | T | A | -2.0134 | |
| 98 | E | A | -2.6961 | |
| 99 | E | A | -2.0416 | |
| 100 | S | A | -1.1264 | |
| 101 | N | A | -0.9476 | |
| 102 | I | A | -0.3259 | |
| 103 | T | A | -0.9565 | |
| 104 | M | A | 0.0000 | |
| 105 | A | A | -0.7521 | |
| 106 | I | A | 0.0000 | |
| 107 | M | A | 0.0000 | |
| 108 | R | A | -0.3780 | |
| 109 | A | A | -0.0949 | |
| 110 | K | A | 0.0000 | |
| 111 | P | A | -0.4196 | |
| 112 | H | A | -1.1739 | |
| 113 | Q | A | -1.0140 | |
| 114 | G | A | 0.0000 | |
| 115 | Q | A | -0.2123 | |
| 116 | H | A | -0.0035 | |
| 117 | I | A | -0.1485 | |
| 118 | G | A | -0.7478 | |
| 119 | E | A | -1.6751 | |
| 120 | M | A | 0.0000 | |
| 121 | S | A | 0.0000 | |
| 122 | F | A | 0.0000 | |
| 123 | L | A | 0.0000 | |
| 124 | Q | A | -1.0172 | |
| 125 | H | A | -1.6188 | |
| 126 | N | A | -2.0178 | |
| 127 | K | A | -2.7512 | |
| 128 | C | A | -1.9695 | |
| 129 | E | A | -1.9190 | |
| 130 | C | A | 0.0000 | |
| 131 | R | A | -2.8275 | |
| 132 | P | A | -3.1737 | |
| 133 | K | A | -4.3936 | |
| 134 | K | A | -4.7007 | |
| 135 | D | A | -4.5064 | |
| 136 | R | A | -4.0897 | |
| 137 | A | A | -3.2230 | |
| 138 | R | A | -4.0682 | |
| 139 | Q | A | -4.2927 | |
| 140 | E | A | -3.7090 | |
| 141 | N | A | -3.1874 | |
| 142 | P | A | -1.9479 | |
| 143 | C | A | 0.0000 | |
| 144 | G | A | -1.3099 | |
| 145 | P | A | -1.4468 | |
| 146 | C | A | -1.6277 | |
| 147 | S | A | -2.0929 | |
| 148 | E | A | -3.4420 | |
| 149 | R | A | -3.6254 | |
| 150 | R | A | -2.6888 | |
| 151 | K | A | -2.7902 | |
| 152 | H | A | -1.3158 | |
| 153 | L | A | 0.0000 | |
| 154 | F | A | -0.5331 | |
| 155 | V | A | -0.1061 | |
| 156 | Q | A | -0.9280 | |
| 157 | D | A | -1.3203 | |
| 158 | P | A | -1.4637 | |
| 159 | Q | A | -1.9155 | |
| 160 | T | A | -1.3697 | |
| 161 | C | A | -1.2710 | |
| 162 | K | A | -1.7726 | |
| 163 | C | A | -0.6690 | |
| 164 | S | A | -0.4657 | |
| 165 | C | A | -0.8127 | |
| 166 | K | A | -0.2328 | |
| 167 | N | A | 0.0000 | |
| 168 | T | A | -1.5737 | |
| 169 | D | A | -1.7728 | |
| 170 | S | A | -1.1820 | |
| 171 | R | A | -1.2816 | |
| 172 | C | A | -1.5626 | |
| 173 | K | A | -1.8225 | |
| 174 | M | A | -0.5105 | |
| 175 | G | A | -1.0937 | |
| 176 | G | A | -1.7915 | |
| 177 | G | A | -1.1407 | |
| 178 | G | A | -0.6583 | |
| 179 | S | A | -0.2548 | |
| 180 | L | A | -0.3805 | |
| 181 | A | A | -0.3277 | |
| 182 | E | A | -0.1492 | |
| 183 | A | A | 0.0000 | |
| 184 | K | A | -1.0043 | |
| 185 | V | A | 0.0000 | |
| 186 | L | A | -0.3635 | |
| 187 | A | A | 0.0000 | |
| 188 | N | A | -1.6070 | |
| 189 | R | A | -1.7469 | |
| 190 | E | A | -1.9787 | |
| 191 | L | A | 0.0000 | |
| 192 | D | A | -3.1713 | |
| 193 | K | A | -3.0909 | |
| 194 | Y | A | -1.8431 | |
| 195 | G | A | -1.9073 | |
| 196 | V | A | 0.0000 | |
| 197 | S | A | 0.0000 | |
| 198 | D | A | -1.5418 | |
| 199 | Y | A | -0.7826 | |
| 200 | Y | A | -0.2538 | |
| 201 | K | A | -1.2579 | |
| 202 | N | A | -0.8246 | |
| 203 | L | A | -0.4648 | |
| 204 | I | A | 0.0000 | |
| 205 | N | A | -1.3595 | |
| 206 | N | A | -1.3916 | |
| 207 | A | A | 0.0000 | |
| 208 | K | A | -2.0910 | |
| 209 | T | A | -1.5140 | |
| 210 | V | A | -1.3292 | |
| 211 | E | A | -2.3845 | |
| 212 | G | A | -1.8131 | |
| 213 | V | A | 0.0000 | |
| 214 | K | A | -2.6117 | |
| 215 | A | A | -2.0444 | |
| 216 | L | A | -1.4836 | |
| 217 | I | A | 0.0000 | |
| 218 | D | A | -2.8591 | |
| 219 | E | A | -2.6146 | |
| 220 | I | A | 0.0000 | |
| 221 | L | A | -1.0016 | |
| 222 | A | A | -1.0601 | |
| 223 | A | A | -0.6528 | |
| 224 | L | A | -0.2039 | |
| 225 | P | A | -0.5285 | |
| 226 | G | A | -0.6157 | |
| 227 | G | A | -0.9726 | |
| 228 | G | A | -1.1531 | |
| 229 | G | A | -1.1800 | |
| 230 | S | A | -0.8834 | |
| 231 | E | A | -1.4938 | |
| 232 | N | A | -0.4634 | |
| 233 | L | A | 1.0759 | |
| 234 | Y | A | 1.1433 | |
| 235 | F | A | 0.0000 | |
| 236 | Q | A | -1.1286 | |
| 237 | G | A | -0.7865 | |
| 238 | M | A | -0.6541 | |
| 239 | N | A | 0.0000 | |
| 240 | K | A | -2.8336 | |
| 241 | E | A | -2.2090 | |
| 242 | I | A | -0.6469 | |
| 243 | L | A | -1.1265 | |
| 244 | A | A | -0.4001 | |
| 245 | V | A | 0.6729 | |
| 246 | V | A | 0.0000 | |
| 247 | E | A | -1.3621 | |
| 248 | A | A | -0.9543 | |
| 249 | V | A | -1.1133 | |
| 250 | S | A | -2.1959 | |
| 251 | N | A | -2.7222 | |
| 252 | E | A | -3.1571 | |
| 253 | K | A | -2.6715 | |
| 254 | A | A | -1.7288 | |
| 255 | L | A | -1.5432 | |
| 256 | P | A | -1.8180 | |
| 257 | R | A | -2.6368 | |
| 258 | E | A | -2.3791 | |
| 259 | K | A | -2.6971 | |
| 260 | I | A | 0.0000 | |
| 261 | F | A | 0.0000 | |
| 262 | E | A | -2.0281 | |
| 263 | A | A | -1.1346 | |
| 264 | L | A | -0.5334 | |
| 265 | E | A | -1.1390 | |
| 266 | S | A | -0.5793 | |
| 267 | A | A | -0.2112 | |
| 268 | L | A | -0.1187 | |
| 269 | A | A | -0.8114 | |
| 270 | T | A | -1.1888 | |
| 271 | A | A | -1.2240 | |
| 272 | T | A | -1.6982 | |
| 273 | K | A | -3.0176 | |
| 274 | K | A | -3.4817 | |
| 275 | K | A | -3.0549 | |
| 276 | Y | A | -1.8160 | |
| 277 | E | A | -3.2780 | |
| 278 | Q | A | -2.8582 | |
| 279 | E | A | -2.0821 | |
| 280 | I | A | -0.1127 | |
| 281 | D | A | -0.8709 | |
| 282 | V | A | 0.7259 | |
| 283 | E | A | -0.5687 | |
| 284 | L | A | 0.8393 | |
| 285 | E | A | 0.1806 | |
| 286 | V | A | 1.3168 | |
| 287 | S | A | 0.1909 | |
| 288 | D | A | -0.7953 | |
| 289 | I | A | 1.3379 | |
| 290 | A | A | 0.1919 | |
| 291 | K | A | -1.0958 | |
| 292 | A | A | -0.4994 | |
| 293 | S | A | -0.7248 | |
| 294 | S | A | -1.2916 | |
| 295 | E | A | -1.3525 | |
| 296 | L | A | -1.0885 | |
| 297 | E | A | -2.8732 | |
| 298 | K | A | -2.4892 | |
| 299 | V | A | -1.6157 | |
| 300 | A | A | -2.0724 | |
| 301 | E | A | -3.2016 | |
| 302 | K | A | -2.5503 | |
| 303 | Q | A | -2.8542 | |
| 304 | A | A | -2.0612 | |
| 305 | I | A | 0.0000 | |
| 306 | D | A | -2.3193 | |
| 307 | D | A | -2.8654 | |
| 308 | K | A | -2.0029 | |
| 309 | V | A | -2.0010 | |
| 310 | A | A | -1.7318 | |
| 311 | A | A | -0.8543 | |
| 312 | A | A | -1.1369 | |
| 313 | S | A | -1.3355 | |
| 314 | D | A | -1.6450 | |
| 315 | Y | A | 0.0000 | |
| 316 | D | A | -2.6687 | |
| 317 | K | A | -1.6335 | |
| 318 | A | A | 0.0000 | |
| 319 | E | A | -2.2658 | |
| 320 | Y | A | -1.2558 | |
| 321 | V | A | 0.0000 | |
| 322 | S | A | -1.3135 | |
| 323 | G | A | -1.3557 | |
| 324 | K | A | -1.3628 | |
| 325 | M | A | 0.0000 | |
| 326 | E | A | -2.0885 | |
| 327 | K | A | -1.8923 | |
| 328 | V | A | 0.0000 | |
| 329 | V | A | -0.5837 | |
| 330 | G | A | -1.0534 | |
| 331 | M | A | -0.9840 | |
| 332 | L | A | 0.0000 | |
| 333 | T | A | -0.9462 | |
| 334 | K | A | -1.7621 | |
| 335 | Y | A | 0.0000 | |
| 336 | Q | A | -2.0411 | |
| 337 | N | A | -1.7414 | |
| 338 | R | A | -1.7063 | |
| 339 | E | A | -2.3955 | |
| 340 | T | A | 0.0000 | |
| 341 | V | A | -1.0543 | |
| 342 | H | A | 0.0000 | |
| 343 | A | A | 0.0000 | |
| 344 | Y | A | 0.0000 | |
| 345 | Q | A | -0.1833 | |
| 346 | N | A | 0.0000 | |
| 347 | A | A | 0.0000 | |
| 348 | I | A | 0.0000 | |
| 349 | A | A | -0.2035 | |
| 350 | G | A | 0.0000 | |
| 351 | P | A | -0.5108 | |
| 352 | I | A | 0.0000 | |
| 353 | Q | A | -0.5819 | |
| 354 | V | A | -0.1754 | |
| 355 | G | A | 0.0000 | |
| 356 | I | A | 0.0000 | |
| 357 | R | A | -1.0747 | |
| 358 | S | A | 0.0000 | |
| 359 | Y | A | -0.9556 | |
| 360 | F | A | -0.3755 | |
| 361 | D | A | -0.5267 | |
| 362 | P | A | -0.3337 | |
| 363 | V | A | 0.3711 | |
| 364 | H | A | -1.2295 | |
| 365 | D | A | -2.6791 | |
| 366 | Q | A | -2.7700 | |
| 367 | N | A | -2.7331 | |
| 368 | Q | A | -2.1651 | |
| 369 | P | A | 0.0000 | |
| 370 | V | A | -0.4969 | |
| 371 | W | A | 0.0000 | |
| 372 | E | A | -1.3827 | |
| 373 | V | A | 0.0000 | |
| 374 | M | A | 0.0000 | |
| 375 | E | A | -2.5604 | |
| 376 | K | A | -2.1275 | |
| 377 | E | A | -1.9074 | |
| 378 | P | A | -1.3303 | |
| 379 | V | A | -0.8600 | |
| 380 | L | A | 0.0000 | |
| 381 | E | A | -2.2880 | |
| 382 | A | A | -1.2692 | |
| 383 | L | A | -0.6332 | |
| 384 | V | A | 0.0000 | |
| 385 | E | A | -1.9717 | |
| 386 | P | A | -0.7078 | |
| 387 | E | A | -0.5143 | |
| 388 | L | A | -0.5432 | |
| 389 | A | A | 0.1494 | |
| 390 | L | A | 1.0961 | |
| 391 | V | A | -0.0102 | |
| 392 | D | A | -1.7878 | |
| 393 | F | A | 0.0000 | |
| 394 | S | A | -2.1038 | |
| 395 | D | A | -2.9041 | |
| 396 | Q | A | -2.6158 | |
| 397 | E | A | -2.4596 | |
| 398 | S | A | -1.5408 | |
| 399 | E | A | -1.7803 | |
| 400 | M | A | 0.0000 | |
| 401 | V | A | -0.0934 | |
| 402 | Q | A | -1.3226 | |
| 403 | L | A | 0.0000 | |
| 404 | V | A | -0.8836 | |
| 405 | K | A | -2.0205 | |
| 406 | L | A | -1.6961 | |
| 407 | V | A | 0.0000 | |
| 408 | N | A | -2.8229 | |
| 409 | D | A | -3.2505 | |
| 410 | I | A | 0.0000 | |
| 411 | D | A | -3.1821 | |
| 412 | E | A | -3.7868 | |
| 413 | E | A | -3.6424 | |
| 414 | A | A | 0.0000 | |
| 415 | E | A | -2.9564 | |
| 416 | S | A | -2.8247 | |
| 417 | E | A | -3.2004 | |
| 418 | A | A | 0.0000 | |
| 419 | E | A | -2.8518 | |
| 420 | I | A | -1.3662 | |
| 421 | E | A | -2.9563 | |
| 422 | L | A | -2.9351 | |
| 423 | E | A | -3.6835 | |
| 424 | A | A | -2.9721 | |
| 425 | E | A | -4.0952 | |
| 426 | E | A | -4.9011 | |
| 427 | D | A | -4.6945 | |
| 428 | L | A | -2.5862 | |
| 429 | E | A | -3.9975 | |
| 430 | E | A | -4.0656 | |
| 431 | E | A | -3.3900 | |
| 432 | G | A | -2.3787 | |
| 433 | M | A | -1.3360 | |
| 434 | V | A | -0.8314 | |
| 435 | E | A | -2.3744 | |
| 436 | A | A | -1.4235 | |
| 437 | E | A | -1.7409 | |
| 438 | A | A | -1.3383 | |
| 439 | E | A | -1.7683 | |
| 440 | L | A | -0.1778 | |
| 441 | T | A | -0.8688 | |
| 442 | P | A | -0.9575 | |
| 443 | E | A | -1.7288 | |
| 444 | N | A | -1.1069 | |
| 445 | V | A | 0.8468 | |
| 446 | V | A | 0.4364 | |
| 447 | E | A | -2.0699 | |
| 448 | E | A | -3.0276 | |
| 449 | E | A | -3.6638 | |
| 450 | A | A | -2.8969 | |
| 451 | E | A | -3.6992 | |
| 452 | E | A | -3.8368 | |
| 453 | G | A | -3.3807 | |
| 454 | D | A | -4.0126 | |
| 455 | E | A | -4.0464 | |
| 456 | K | A | -3.7520 | |
| 457 | A | A | -2.6986 | |
| 458 | D | A | -3.5139 | |
| 459 | E | A | -3.3317 | |
| 460 | A | A | -2.3811 | |
| 461 | E | A | -2.9436 | |
| 462 | A | A | -2.1848 | |
| 463 | E | A | -2.8493 | |
| 464 | P | A | -2.3961 | |
| 465 | E | A | -3.0627 | |
| 466 | A | A | -2.5887 | |
| 467 | K | A | -3.7111 | |
| 468 | K | A | -4.2878 | |
| 469 | D | A | -4.5743 | |
| 470 | D | A | -4.6327 | |
| 471 | E | A | -4.3446 | |
| 472 | K | A | -3.7108 | |
| 473 | S | A | -2.3692 | |
| 474 | G | A | -2.4969 | |
| 475 | E | A | -3.3924 | |
| 476 | E | A | -3.5107 | |
| 477 | A | A | -2.6176 | |
| 478 | E | A | -3.2310 | |
| 479 | E | A | -2.7790 | |
| 480 | P | A | -0.9319 | |
| 481 | V | A | 0.5420 | |
| 482 | D | A | -0.3132 | |
| 483 | V | A | 1.1901 | |
| 484 | A | A | 0.2367 | |
| 485 | A | A | -0.4798 | |
| 486 | K | A | -1.5788 | |
| 487 | A | A | -1.0821 | |
| 488 | G | A | -1.3702 | |
| 489 | S | A | -1.3551 | |
| 490 | G | A | -1.3494 | |
| 491 | K | A | -1.4460 | |
| 492 | P | A | 0.2015 | |
| 493 | V | A | 2.4085 | |
| 494 | L | A | 3.0796 | |
| 495 | Y | A | 2.9165 | |
| 496 | Y | A | 1.8024 | |
| 497 | P | A | -0.6188 | |
| 498 | E | A | -2.9313 | |
| 499 | D | A | -3.9713 | |
| 500 | D | A | -4.3830 | |
| 501 | K | A | -3.7856 | |
| 502 | R | A | -2.6521 | |
| 503 | V | A | -0.4720 | |
| 504 | E | A | -1.7445 | |
| 505 | T | A | -1.6154 | |
| 506 | G | A | -2.3104 | |
| 507 | R | A | -3.3385 | |
| 508 | E | A | -3.2882 | |
| 509 | K | A | -2.4588 | |
| 510 | V | A | -0.5735 | |
| 511 | G | A | -1.7235 | |
| 512 | K | A | -3.0926 | |
| 513 | D | A | -3.8599 | |
| 514 | N | A | -4.1813 | |
| 515 | K | A | -4.3893 | |
| 516 | E | A | -4.2892 | |
| 517 | K | A | -3.9394 | |
| 518 | S | A | -3.2992 | |
| 519 | E | A | -4.1616 | |
| 520 | E | A | -4.5404 | |
| 521 | E | A | -4.4845 | |
| 522 | K | A | -4.2154 | |
| 523 | K | A | -3.5679 | |
| 524 | A | A | -2.1821 | |
| 525 | G | A | -2.3434 | |
| 526 | E | A | -3.1929 | |
| 527 | G | A | -2.8312 | |
| 528 | K | A | -3.4784 | |
| 529 | E | A | -3.2573 | |
| 530 | T | A | -1.9602 | |
| 531 | G | A | -1.8870 | |
| 532 | G | A | -1.8966 | |
| 533 | G | A | -2.0206 | |
| 534 | K | A | -2.6724 | |
| 535 | D | A | -2.3935 | |
| 536 | W | A | -0.9063 | |
| 537 | T | A | -1.1757 | |
| 538 | S | A | -1.2187 | |
| 539 | D | A | -2.2757 | |
| 540 | D | A | -1.9076 | |
| 541 | M | A | -0.9192 | |
| 542 | I | A | -0.7343 | |
| 543 | E | A | -2.3981 | |
| 544 | K | A | -2.2590 | |
| 545 | R | A | -2.2176 | |
| 546 | W | A | -0.7090 | |
| 547 | A | A | -1.5474 | |
| 548 | D | A | -2.9649 | |
| 549 | D | A | -3.0082 | |
| 550 | D | A | -2.4053 | |
| 551 | V | A | -0.4003 | |
| 552 | D | A | -1.9352 | |
| 553 | S | A | -1.7708 | |
| 554 | V | A | -0.8878 | |
| 555 | L | A | -0.7932 | |
| 556 | E | A | -2.3514 | |
| 557 | D | A | -1.9764 | |
| 558 | V | A | -1.5503 | |
| 559 | E | A | -2.6858 | |
| 560 | C | A | -2.1566 | |
| 561 | M | A | -1.8842 | |
| 562 | A | A | -2.3663 | |
| 563 | E | A | -2.8773 | |
| 564 | L | A | -1.7826 | |
| 565 | D | A | -2.4175 | |
| 566 | F | A | -1.4515 | |
| 567 | D | A | -1.7284 | |
| 568 | E | A | -1.6963 | |
| 569 | G | A | 0.0000 | |
| 570 | A | A | -0.6800 | |
| 571 | V | A | 0.0000 | |
| 572 | V | A | 0.0000 | |
| 573 | Q | A | 0.0000 | |
| 574 | A | A | -0.8011 | |
| 575 | G | A | -1.0117 | |
| 576 | L | A | -1.0282 | |
| 577 | E | A | -1.9765 | |
| 578 | E | A | -2.5539 | |
| 579 | L | A | 0.0000 | |
| 580 | R | A | -2.1779 | |
| 581 | T | A | -2.2795 | |
| 582 | A | A | -2.0463 | |
| 583 | I | A | 0.0000 | |
| 584 | D | A | -3.3355 | |
| 585 | E | A | -3.2708 | |
| 586 | N | A | -2.3071 | |
| 587 | L | A | 0.0000 | |
| 588 | A | A | 0.0000 | |
| 589 | D | A | -2.6258 | |
| 590 | F | A | -0.8804 | |
| 591 | A | A | 0.0000 | |
| 592 | V | A | 0.0000 | |
| 593 | P | A | -2.0222 | |
| 594 | K | A | -2.6246 | |
| 595 | L | A | 0.0000 | |
| 596 | K | A | -3.5965 | |
| 597 | E | A | -3.5577 | |
| 598 | A | A | -2.7250 | |
| 599 | R | A | -3.4111 | |
| 600 | K | A | -3.7688 | |
| 601 | L | A | -3.1036 | |
| 602 | S | A | -3.2573 | |
| 603 | D | A | -3.9804 | |
| 604 | E | A | -4.2263 | |
| 605 | D | A | -4.1004 | |
| 606 | A | A | 0.0000 | |
| 607 | E | A | -4.7713 | |
| 608 | K | A | -4.4642 | |
| 609 | F | A | -2.9196 | |
| 610 | K | A | -3.4778 | |
| 611 | E | A | -4.4835 | |
| 612 | E | A | -4.1053 | |
| 613 | I | A | -2.9212 | |
| 614 | L | A | -3.4128 | |
| 615 | K | A | -4.4339 | |
| 616 | E | A | -4.3018 | |
| 617 | F | A | -3.4909 | |
| 618 | E | A | -4.5623 | |
| 619 | D | A | -4.0287 | |
| 620 | A | A | -3.0446 | |
| 621 | K | A | -3.5945 | |
| 622 | P | A | -2.7663 | |
| 623 | R | A | -3.1229 | |
| 624 | L | A | -2.2661 | |
| 625 | R | A | -2.2021 | |
| 626 | S | A | -2.0818 | |
| 627 | D | A | -2.4090 | |
| 628 | M | A | -1.2797 | |
| 629 | V | A | -0.4565 | |
| 630 | M | A | -0.7398 | |
| 631 | E | A | -0.8018 | |
| 632 | N | A | -0.7411 | |
| 633 | F | A | 0.3388 | |
| 634 | V | A | 0.0000 | |
| 635 | E | A | 0.0000 | |
| 636 | E | A | -1.2903 | |
| 637 | E | A | -0.7052 | |
| 638 | L | A | -0.5588 | |
| 639 | C | A | 0.0000 | |
| 640 | V | A | -0.6402 | |
| 641 | V | A | 0.0000 | |
| 642 | K | A | -2.7339 | |
| 643 | M | A | -1.7796 | |
| 644 | D | A | -2.8741 | |
| 645 | D | A | -3.3644 | |
| 646 | K | A | -2.7243 | |
| 647 | A | A | -1.7047 | |
| 648 | M | A | -1.6242 | |
| 649 | T | A | -2.1400 | |
| 650 | D | A | -3.4687 | |
| 651 | E | A | -3.9573 | |
| 652 | E | A | -3.2682 | |
| 653 | L | A | -3.0542 | |
| 654 | E | A | -4.4062 | |
| 655 | K | A | -4.3761 | |
| 656 | L | A | -2.8719 | |
| 657 | T | A | -2.4391 | |
| 658 | D | A | -4.1576 | |
| 659 | N | A | -3.8242 | |
| 660 | V | A | 0.0000 | |
| 661 | A | A | -2.8136 | |
| 662 | E | A | -4.1707 | |
| 663 | E | A | -4.1621 | |
| 664 | I | A | -2.6192 | |
| 665 | S | A | -2.8133 | |
| 666 | K | A | -3.9494 | |
| 667 | N | A | -3.8270 | |
| 668 | G | A | -2.9547 | |
| 669 | S | A | -2.7703 | |
| 670 | E | A | -3.6014 | |
| 671 | E | A | -3.4693 | |
| 672 | N | A | -2.6409 | |
| 673 | L | A | -1.1930 | |
| 674 | S | A | -2.3637 | |
| 675 | D | A | -3.7230 | |
| 676 | E | A | -4.0957 | |
| 677 | D | A | -4.4386 | |
| 678 | K | A | -4.3451 | |
| 679 | A | A | -3.2382 | |
| 680 | K | A | -3.8718 | |
| 681 | D | A | -3.5984 | |
| 682 | S | A | -2.4245 | |
| 683 | A | A | -2.2982 | |
| 684 | K | A | -3.1682 | |
| 685 | T | A | -2.7358 | |
| 686 | D | A | -3.5256 | |
| 687 | E | A | -3.4690 | |
| 688 | A | A | -2.6642 | |
| 689 | E | A | -2.9813 | |
| 690 | A | A | -2.0029 | |
| 691 | A | A | -1.9952 | |
| 692 | E | A | -3.0643 | |
| 693 | A | A | -2.4157 | |
| 694 | Q | A | -3.3442 | |
| 695 | K | A | -4.1041 | |
| 696 | E | A | -4.0414 | |
| 697 | E | A | -3.4518 | |
| 1 | M | B | 1.2442 | |
| 2 | N | B | 0.4045 | |
| 3 | F | B | 1.7756 | |
| 4 | L | B | 1.4486 | |
| 5 | L | B | 0.6346 | |
| 6 | K | B | -0.6052 | |
| 7 | W | B | 0.0600 | |
| 8 | K | B | -0.9775 | |
| 9 | H | B | -1.1427 | |
| 10 | W | B | 0.0627 | |
| 11 | K | B | -0.3460 | |
| 12 | L | B | 0.7394 | |
| 13 | K | B | -0.0680 | |
| 14 | L | B | 0.9274 | |
| 15 | L | B | 1.5661 | |
| 16 | L | B | 1.3067 | |
| 17 | Y | B | 1.3841 | |
| 18 | L | B | 0.8675 | |
| 19 | H | B | -0.3398 | |
| 20 | H | B | -0.5955 | |
| 21 | A | B | -0.6767 | |
| 22 | K | B | -1.6808 | |
| 23 | W | B | -0.3861 | |
| 24 | S | B | -1.0253 | |
| 25 | Q | B | -1.6164 | |
| 26 | A | B | -0.4459 | |
| 27 | A | B | -0.1826 | |
| 28 | P | B | -0.2001 | |
| 29 | M | B | 0.3683 | |
| 30 | A | B | -0.7100 | |
| 31 | E | B | -1.9986 | |
| 32 | G | B | -1.7920 | |
| 33 | G | B | -2.1735 | |
| 34 | G | B | -2.3910 | |
| 35 | Q | B | -2.7963 | |
| 36 | N | B | -3.2065 | |
| 37 | H | B | -3.0814 | |
| 38 | H | B | -2.8621 | |
| 39 | E | B | -2.4180 | |
| 40 | V | B | -0.9119 | |
| 41 | V | B | -0.7524 | |
| 42 | K | B | -1.2804 | |
| 43 | F | B | 0.0000 | |
| 44 | M | B | -1.2618 | |
| 45 | D | B | -2.1380 | |
| 46 | V | B | 0.0000 | |
| 47 | Y | B | -1.1807 | |
| 48 | Q | B | -1.8781 | |
| 49 | R | B | -1.8309 | |
| 50 | S | B | 0.0000 | |
| 51 | Y | B | -0.7408 | |
| 52 | C | B | 0.0000 | |
| 53 | H | B | -1.1998 | |
| 54 | P | B | -1.0137 | |
| 55 | A | B | -0.8904 | |
| 56 | E | B | -1.0070 | |
| 57 | T | B | -0.4438 | |
| 58 | L | B | -0.2473 | |
| 59 | V | B | -0.3365 | |
| 60 | D | B | -0.8185 | |
| 61 | A | B | 0.0000 | |
| 62 | F | B | 0.8736 | |
| 63 | Q | B | -0.8608 | |
| 64 | E | B | 0.0000 | |
| 65 | Y | B | 0.0000 | |
| 66 | P | B | 0.1279 | |
| 67 | D | B | 0.0780 | |
| 68 | E | B | 0.7949 | |
| 69 | I | B | 1.8261 | |
| 70 | E | B | 0.6450 | |
| 71 | Y | B | 0.9493 | |
| 72 | I | B | 1.1555 | |
| 73 | F | B | 0.0000 | |
| 74 | K | B | -0.4847 | |
| 75 | P | B | 0.0000 | |
| 76 | S | B | -0.4310 | |
| 77 | C | B | 0.0000 | |
| 78 | V | B | 0.0000 | |
| 79 | P | B | 0.0000 | |
| 80 | L | B | 0.0000 | |
| 81 | M | B | -0.5120 | |
| 82 | R | B | -0.7191 | |
| 83 | C | B | -0.6715 | |
| 84 | G | B | -0.2484 | |
| 85 | G | B | -0.4606 | |
| 86 | C | B | -0.8184 | |
| 87 | C | B | -1.6370 | |
| 88 | N | B | -1.9434 | |
| 89 | D | B | -2.3049 | |
| 90 | E | B | -2.5690 | |
| 91 | G | B | -2.5736 | |
| 92 | L | B | -2.7889 | |
| 93 | E | B | -2.9874 | |
| 94 | C | B | -1.1750 | |
| 95 | V | B | -1.3840 | |
| 96 | P | B | -1.7852 | |
| 97 | T | B | -1.9811 | |
| 98 | E | B | -2.6207 | |
| 99 | E | B | -1.9159 | |
| 100 | S | B | -0.9360 | |
| 101 | N | B | -0.6085 | |
| 102 | I | B | -0.1216 | |
| 103 | T | B | 0.0000 | |
| 104 | M | B | 0.0000 | |
| 105 | A | B | -0.3756 | |
| 106 | I | B | 0.0000 | |
| 107 | M | B | 0.0338 | |
| 108 | R | B | 0.0000 | |
| 109 | A | B | -0.0444 | |
| 110 | K | B | -0.0200 | |
| 111 | P | B | -0.2637 | |
| 112 | H | B | -1.1755 | |
| 113 | Q | B | -1.0405 | |
| 114 | G | B | 0.0000 | |
| 115 | Q | B | -0.4952 | |
| 116 | H | B | -0.1154 | |
| 117 | I | B | 0.0507 | |
| 118 | G | B | -0.3369 | |
| 119 | E | B | -1.0611 | |
| 120 | M | B | 0.0000 | |
| 121 | S | B | 0.0000 | |
| 122 | F | B | 0.0000 | |
| 123 | L | B | 0.0000 | |
| 124 | Q | B | -0.9124 | |
| 125 | H | B | -1.5618 | |
| 126 | N | B | -1.9622 | |
| 127 | K | B | -2.7380 | |
| 128 | C | B | -1.9903 | |
| 129 | E | B | -1.9611 | |
| 130 | C | B | 0.0000 | |
| 131 | R | B | -2.8632 | |
| 132 | P | B | -3.0983 | |
| 133 | K | B | -4.2673 | |
| 134 | K | B | -4.5655 | |
| 135 | D | B | -4.3849 | |
| 136 | R | B | -3.9669 | |
| 137 | A | B | -3.0597 | |
| 138 | R | B | -3.8138 | |
| 139 | Q | B | -3.7797 | |
| 140 | E | B | -3.4469 | |
| 141 | N | B | -3.0295 | |
| 142 | P | B | -1.8397 | |
| 143 | C | B | 0.0000 | |
| 144 | G | B | -1.3053 | |
| 145 | P | B | -1.4640 | |
| 146 | C | B | -1.6585 | |
| 147 | S | B | -2.1048 | |
| 148 | E | B | -3.4274 | |
| 149 | R | B | -3.5992 | |
| 150 | R | B | -2.6494 | |
| 151 | K | B | -2.7713 | |
| 152 | H | B | -1.3778 | |
| 153 | L | B | 0.0000 | |
| 154 | F | B | -0.5679 | |
| 155 | V | B | -0.1182 | |
| 156 | Q | B | -0.9152 | |
| 157 | D | B | 0.0000 | |
| 158 | P | B | -1.4071 | |
| 159 | Q | B | -1.8598 | |
| 160 | T | B | -1.3608 | |
| 161 | C | B | -1.2615 | |
| 162 | K | B | -1.8148 | |
| 163 | C | B | -0.8159 | |
| 164 | S | B | -0.4599 | |
| 165 | C | B | -0.8169 | |
| 166 | K | B | -0.2111 | |
| 167 | N | B | 0.0000 | |
| 168 | T | B | -1.2806 | |
| 169 | D | B | -1.8713 | |
| 170 | S | B | -1.2972 | |
| 171 | R | B | -1.1938 | |
| 172 | C | B | -1.5692 | |
| 173 | K | B | -1.8308 | |
| 174 | M | B | -0.5206 | |
| 175 | G | B | -1.1032 | |
| 176 | G | B | -1.7543 | |
| 177 | G | B | -1.1507 | |
| 178 | G | B | -0.6478 | |
| 179 | S | B | -0.2869 | |
| 180 | L | B | -0.4306 | |
| 181 | A | B | -0.4698 | |
| 182 | E | B | -0.2110 | |
| 183 | A | B | 0.0000 | |
| 184 | K | B | -1.0909 | |
| 185 | V | B | 0.0000 | |
| 186 | L | B | -0.5332 | |
| 187 | A | B | 0.0000 | |
| 188 | N | B | -1.5354 | |
| 189 | R | B | -1.7788 | |
| 190 | E | B | -2.0106 | |
| 191 | L | B | 0.0000 | |
| 192 | D | B | -3.2090 | |
| 193 | K | B | -3.1503 | |
| 194 | Y | B | -1.8544 | |
| 195 | G | B | -1.9517 | |
| 196 | V | B | 0.0000 | |
| 197 | S | B | 0.0000 | |
| 198 | D | B | -1.2620 | |
| 199 | Y | B | -0.6380 | |
| 200 | Y | B | -0.1026 | |
| 201 | K | B | -1.1186 | |
| 202 | N | B | -0.8170 | |
| 203 | L | B | -0.4512 | |
| 204 | I | B | 0.0000 | |
| 205 | N | B | -1.4245 | |
| 206 | N | B | -1.6250 | |
| 207 | A | B | 0.0000 | |
| 208 | K | B | -2.1704 | |
| 209 | T | B | -1.6030 | |
| 210 | V | B | -1.4483 | |
| 211 | E | B | -2.4981 | |
| 212 | G | B | -1.9280 | |
| 213 | V | B | 0.0000 | |
| 214 | K | B | -2.8807 | |
| 215 | A | B | -2.1737 | |
| 216 | L | B | -1.5434 | |
| 217 | I | B | 0.0000 | |
| 218 | D | B | -2.9439 | |
| 219 | E | B | -2.6539 | |
| 220 | I | B | 0.0000 | |
| 221 | L | B | -1.0337 | |
| 222 | A | B | -1.0973 | |
| 223 | A | B | -0.6791 | |
| 224 | L | B | -0.2348 | |
| 225 | P | B | -0.5658 | |
| 226 | G | B | 0.0000 | |
| 227 | G | B | -1.0329 | |
| 228 | G | B | -1.1592 | |
| 229 | G | B | -1.1532 | |
| 230 | S | B | -0.8663 | |
| 231 | E | B | -1.4510 | |
| 232 | N | B | -0.3825 | |
| 233 | L | B | 1.1623 | |
| 234 | Y | B | 1.2389 | |
| 235 | F | B | 0.0000 | |
| 236 | Q | B | -0.9533 | |
| 237 | G | B | -0.7295 | |
| 238 | M | B | -0.5745 | |
| 239 | N | B | 0.0000 | |
| 240 | K | B | -2.8651 | |
| 241 | E | B | -2.1863 | |
| 242 | I | B | -0.6421 | |
| 243 | L | B | -1.1249 | |
| 244 | A | B | -0.3762 | |
| 245 | V | B | 0.7274 | |
| 246 | V | B | 0.0000 | |
| 247 | E | B | -1.1268 | |
| 248 | A | B | -0.8649 | |
| 249 | V | B | -0.9655 | |
| 250 | S | B | -1.8952 | |
| 251 | N | B | -2.5794 | |
| 252 | E | B | -3.0980 | |
| 253 | K | B | -2.5807 | |
| 254 | A | B | -1.5190 | |
| 255 | L | B | -1.1000 | |
| 256 | P | B | -1.3586 | |
| 257 | R | B | -2.0032 | |
| 258 | E | B | -1.8793 | |
| 259 | K | B | -2.3282 | |
| 260 | I | B | 0.0000 | |
| 261 | F | B | 0.0000 | |
| 262 | E | B | -1.7249 | |
| 263 | A | B | -0.9463 | |
| 264 | L | B | -0.2156 | |
| 265 | E | B | -0.8573 | |
| 266 | S | B | -0.4460 | |
| 267 | A | B | -0.1625 | |
| 268 | L | B | -0.1106 | |
| 269 | A | B | -0.8058 | |
| 270 | T | B | -1.2138 | |
| 271 | A | B | -1.2570 | |
| 272 | T | B | -1.7520 | |
| 273 | K | B | -3.1683 | |
| 274 | K | B | -3.5493 | |
| 275 | K | B | -3.0915 | |
| 276 | Y | B | -1.8569 | |
| 277 | E | B | -3.2997 | |
| 278 | Q | B | -2.8782 | |
| 279 | E | B | -2.1002 | |
| 280 | I | B | -0.0944 | |
| 281 | D | B | -1.0014 | |
| 282 | V | B | 0.8039 | |
| 283 | E | B | -0.5102 | |
| 284 | L | B | 0.9298 | |
| 285 | E | B | 0.3402 | |
| 286 | V | B | 1.5133 | |
| 287 | S | B | 0.0857 | |
| 288 | D | B | -1.0216 | |
| 289 | I | B | 1.1451 | |
| 290 | A | B | -0.0291 | |
| 291 | K | B | -1.5308 | |
| 292 | A | B | -0.6610 | |
| 293 | S | B | -0.9578 | |
| 294 | S | B | -1.5347 | |
| 295 | E | B | -1.6123 | |
| 296 | L | B | -1.5303 | |
| 297 | E | B | -2.9262 | |
| 298 | K | B | -2.4787 | |
| 299 | V | B | -1.6492 | |
| 300 | A | B | -2.0110 | |
| 301 | E | B | -2.9309 | |
| 302 | K | B | -2.4426 | |
| 303 | Q | B | -2.7990 | |
| 304 | A | B | -2.0054 | |
| 305 | I | B | 0.0000 | |
| 306 | D | B | -2.1863 | |
| 307 | D | B | -2.7084 | |
| 308 | K | B | -1.9462 | |
| 309 | V | B | -1.9809 | |
| 310 | A | B | -1.6692 | |
| 311 | A | B | -0.9596 | |
| 312 | A | B | -1.3154 | |
| 313 | S | B | -1.6639 | |
| 314 | D | B | -2.2783 | |
| 315 | Y | B | 0.0000 | |
| 316 | D | B | -2.8921 | |
| 317 | K | B | -1.8632 | |
| 318 | A | B | 0.0000 | |
| 319 | E | B | -2.3935 | |
| 320 | Y | B | -1.3558 | |
| 321 | V | B | 0.0000 | |
| 322 | S | B | -1.4329 | |
| 323 | G | B | -1.4865 | |
| 324 | K | B | -1.5074 | |
| 325 | M | B | 0.0000 | |
| 326 | E | B | -2.4784 | |
| 327 | K | B | -2.0476 | |
| 328 | V | B | 0.0000 | |
| 329 | V | B | -0.6802 | |
| 330 | G | B | -1.1354 | |
| 331 | M | B | -1.1422 | |
| 332 | L | B | 0.0000 | |
| 333 | T | B | -1.0261 | |
| 334 | K | B | -2.1134 | |
| 335 | Y | B | 0.0000 | |
| 336 | Q | B | -2.1175 | |
| 337 | N | B | -1.7640 | |
| 338 | R | B | -1.8176 | |
| 339 | E | B | -2.4473 | |
| 340 | T | B | 0.0000 | |
| 341 | V | B | -1.1721 | |
| 342 | H | B | 0.0000 | |
| 343 | A | B | 0.0000 | |
| 344 | Y | B | 0.0000 | |
| 345 | Q | B | -0.2787 | |
| 346 | N | B | -0.4137 | |
| 347 | A | B | -0.3825 | |
| 348 | I | B | 0.0000 | |
| 349 | A | B | -0.3170 | |
| 350 | G | B | 0.0000 | |
| 351 | P | B | -0.6543 | |
| 352 | I | B | 0.0000 | |
| 353 | Q | B | -0.6787 | |
| 354 | V | B | -0.4038 | |
| 355 | G | B | 0.0000 | |
| 356 | I | B | 0.0000 | |
| 357 | R | B | -1.2304 | |
| 358 | S | B | 0.0000 | |
| 359 | Y | B | -1.0577 | |
| 360 | F | B | -0.3957 | |
| 361 | D | B | -0.5155 | |
| 362 | P | B | -0.2645 | |
| 363 | V | B | 0.4605 | |
| 364 | H | B | -1.1022 | |
| 365 | D | B | -2.5743 | |
| 366 | Q | B | -2.5482 | |
| 367 | N | B | -2.6058 | |
| 368 | Q | B | -1.8434 | |
| 369 | P | B | 0.0000 | |
| 370 | V | B | -0.4428 | |
| 371 | W | B | 0.0000 | |
| 372 | E | B | -1.3536 | |
| 373 | V | B | 0.0000 | |
| 374 | M | B | 0.0000 | |
| 375 | E | B | -2.6098 | |
| 376 | K | B | -2.2065 | |
| 377 | E | B | -1.9697 | |
| 378 | P | B | -1.3760 | |
| 379 | V | B | -0.9177 | |
| 380 | L | B | 0.0000 | |
| 381 | E | B | -2.2923 | |
| 382 | A | B | -1.2827 | |
| 383 | L | B | -0.6722 | |
| 384 | V | B | 0.0000 | |
| 385 | E | B | -1.9817 | |
| 386 | P | B | -0.7026 | |
| 387 | E | B | -0.5493 | |
| 388 | L | B | -0.4973 | |
| 389 | A | B | 0.1670 | |
| 390 | L | B | 1.1161 | |
| 391 | V | B | 0.0557 | |
| 392 | D | B | -1.7451 | |
| 393 | F | B | 0.0000 | |
| 394 | S | B | -2.0519 | |
| 395 | D | B | -2.9186 | |
| 396 | Q | B | -2.7203 | |
| 397 | E | B | -2.5112 | |
| 398 | S | B | -1.7138 | |
| 399 | E | B | -2.2133 | |
| 400 | M | B | 0.0000 | |
| 401 | V | B | -0.2379 | |
| 402 | Q | B | -1.5267 | |
| 403 | L | B | 0.0000 | |
| 404 | V | B | -0.8294 | |
| 405 | K | B | -2.0948 | |
| 406 | L | B | -1.7483 | |
| 407 | V | B | -1.7776 | |
| 408 | N | B | -2.9327 | |
| 409 | D | B | -3.5135 | |
| 410 | I | B | 0.0000 | |
| 411 | D | B | -3.1125 | |
| 412 | E | B | -3.8053 | |
| 413 | E | B | -3.3760 | |
| 414 | A | B | 0.0000 | |
| 415 | E | B | -2.8880 | |
| 416 | S | B | -2.4400 | |
| 417 | E | B | -2.8788 | |
| 418 | A | B | 0.0000 | |
| 419 | E | B | -2.7090 | |
| 420 | I | B | -1.2311 | |
| 421 | E | B | -2.7644 | |
| 422 | L | B | -2.7955 | |
| 423 | E | B | -3.5743 | |
| 424 | A | B | -2.7948 | |
| 425 | E | B | -3.7866 | |
| 426 | E | B | -4.7755 | |
| 427 | D | B | -4.6025 | |
| 428 | L | B | -2.5142 | |
| 429 | E | B | -4.1431 | |
| 430 | E | B | -4.0542 | |
| 431 | E | B | -3.4238 | |
| 432 | G | B | -2.5248 | |
| 433 | M | B | -1.3884 | |
| 434 | V | B | -0.8666 | |
| 435 | E | B | -2.5972 | |
| 436 | A | B | -1.6369 | |
| 437 | E | B | -1.7509 | |
| 438 | A | B | -1.3329 | |
| 439 | E | B | -1.7712 | |
| 440 | L | B | -0.1618 | |
| 441 | T | B | -0.8519 | |
| 442 | P | B | -0.9763 | |
| 443 | E | B | -1.7494 | |
| 444 | N | B | -1.1123 | |
| 445 | V | B | 0.8837 | |
| 446 | V | B | 0.4638 | |
| 447 | E | B | -2.0834 | |
| 448 | E | B | -3.0387 | |
| 449 | E | B | -3.6618 | |
| 450 | A | B | -2.9976 | |
| 451 | E | B | -3.6797 | |
| 452 | E | B | -3.7141 | |
| 453 | G | B | -3.3712 | |
| 454 | D | B | -3.8979 | |
| 455 | E | B | -4.0447 | |
| 456 | K | B | -3.7549 | |
| 457 | A | B | -2.6670 | |
| 458 | D | B | -3.5571 | |
| 459 | E | B | -3.3420 | |
| 460 | A | B | -2.1290 | |
| 461 | E | B | -2.8195 | |
| 462 | A | B | -2.2286 | |
| 463 | E | B | -2.7582 | |
| 464 | P | B | -2.1830 | |
| 465 | E | B | -2.9972 | |
| 466 | A | B | -2.5465 | |
| 467 | K | B | -3.6807 | |
| 468 | K | B | -4.2730 | |
| 469 | D | B | -4.5855 | |
| 470 | D | B | -4.5950 | |
| 471 | E | B | -4.2445 | |
| 472 | K | B | -3.6096 | |
| 473 | S | B | -2.3283 | |
| 474 | G | B | -2.3228 | |
| 475 | E | B | -3.3415 | |
| 476 | E | B | -3.4870 | |
| 477 | A | B | -2.6799 | |
| 478 | E | B | -3.2054 | |
| 479 | E | B | -2.7442 | |
| 480 | P | B | -0.9080 | |
| 481 | V | B | 0.5242 | |
| 482 | D | B | -0.3219 | |
| 483 | V | B | 1.1969 | |
| 484 | A | B | 0.2300 | |
| 485 | A | B | -0.4829 | |
| 486 | K | B | -1.5816 | |
| 487 | A | B | -1.0732 | |
| 488 | G | B | -1.3336 | |
| 489 | S | B | -1.3389 | |
| 490 | G | B | -1.3535 | |
| 491 | K | B | -1.4692 | |
| 492 | P | B | 0.1847 | |
| 493 | V | B | 2.4037 | |
| 494 | L | B | 3.0728 | |
| 495 | Y | B | 2.9061 | |
| 496 | Y | B | 1.8104 | |
| 497 | P | B | -0.6100 | |
| 498 | E | B | -2.7300 | |
| 499 | D | B | -3.9191 | |
| 500 | D | B | -4.3685 | |
| 501 | K | B | -3.5841 | |
| 502 | R | B | -2.6353 | |
| 503 | V | B | -0.4900 | |
| 504 | E | B | -1.9913 | |
| 505 | T | B | -1.6052 | |
| 506 | G | B | -2.3541 | |
| 507 | R | B | -3.3314 | |
| 508 | E | B | -3.2491 | |
| 509 | K | B | -2.4986 | |
| 510 | V | B | -0.6427 | |
| 511 | G | B | -1.7581 | |
| 512 | K | B | -3.1001 | |
| 513 | D | B | -3.8662 | |
| 514 | N | B | -4.2070 | |
| 515 | K | B | -4.3933 | |
| 516 | E | B | -4.3126 | |
| 517 | K | B | -3.9583 | |
| 518 | S | B | -3.2839 | |
| 519 | E | B | -4.1788 | |
| 520 | E | B | -4.5532 | |
| 521 | E | B | -4.4981 | |
| 522 | K | B | -4.2254 | |
| 523 | K | B | -3.5816 | |
| 524 | A | B | -2.1928 | |
| 525 | G | B | -2.3708 | |
| 526 | E | B | -3.2354 | |
| 527 | G | B | -2.8612 | |
| 528 | K | B | -3.5143 | |
| 529 | E | B | -3.2855 | |
| 530 | T | B | -1.9849 | |
| 531 | G | B | -1.9195 | |
| 532 | G | B | -1.9165 | |
| 533 | G | B | -2.0631 | |
| 534 | K | B | -2.7485 | |
| 535 | D | B | -2.4896 | |
| 536 | W | B | -1.1551 | |
| 537 | T | B | -1.2691 | |
| 538 | S | B | -1.3233 | |
| 539 | D | B | -2.4284 | |
| 540 | D | B | -2.0856 | |
| 541 | M | B | -1.1897 | |
| 542 | I | B | -1.1757 | |
| 543 | E | B | -2.7293 | |
| 544 | K | B | -2.7950 | |
| 545 | R | B | -2.6825 | |
| 546 | W | B | -0.9300 | |
| 547 | A | B | -1.7532 | |
| 548 | D | B | -3.1323 | |
| 549 | D | B | -3.0071 | |
| 550 | D | B | -2.3743 | |
| 551 | V | B | -0.2495 | |
| 552 | D | B | -1.8825 | |
| 553 | S | B | -1.6193 | |
| 554 | V | B | -0.6877 | |
| 555 | L | B | -0.7715 | |
| 556 | E | B | -2.2166 | |
| 557 | D | B | -1.6273 | |
| 558 | V | B | -1.2722 | |
| 559 | E | B | -2.5193 | |
| 560 | C | B | 0.0000 | |
| 561 | M | B | -1.3648 | |
| 562 | A | B | -2.2527 | |
| 563 | E | B | -2.7656 | |
| 564 | L | B | -1.6722 | |
| 565 | D | B | -2.5376 | |
| 566 | F | B | -1.5147 | |
| 567 | D | B | -2.0167 | |
| 568 | E | B | -1.8951 | |
| 569 | G | B | 0.0000 | |
| 570 | A | B | -0.7372 | |
| 571 | V | B | 0.0000 | |
| 572 | V | B | 0.0000 | |
| 573 | Q | B | 0.0000 | |
| 574 | A | B | -0.8244 | |
| 575 | G | B | -1.1427 | |
| 576 | L | B | -1.1151 | |
| 577 | E | B | -2.0520 | |
| 578 | E | B | -2.5711 | |
| 579 | L | B | 0.0000 | |
| 580 | R | B | -2.0672 | |
| 581 | T | B | -2.2187 | |
| 582 | A | B | -1.9803 | |
| 583 | I | B | 0.0000 | |
| 584 | D | B | -3.0368 | |
| 585 | E | B | -3.0959 | |
| 586 | N | B | -2.0596 | |
| 587 | L | B | 0.0000 | |
| 588 | A | B | 0.0000 | |
| 589 | D | B | -2.4548 | |
| 590 | F | B | -0.7242 | |
| 591 | A | B | 0.0000 | |
| 592 | V | B | 0.0000 | |
| 593 | P | B | -2.0437 | |
| 594 | K | B | -2.8419 | |
| 595 | L | B | 0.0000 | |
| 596 | K | B | -3.6567 | |
| 597 | E | B | -3.5985 | |
| 598 | A | B | -3.0068 | |
| 599 | R | B | -3.4176 | |
| 600 | K | B | -3.7680 | |
| 601 | L | B | -3.1056 | |
| 602 | S | B | -3.2359 | |
| 603 | D | B | -3.9981 | |
| 604 | E | B | -4.2531 | |
| 605 | D | B | -4.1588 | |
| 606 | A | B | 0.0000 | |
| 607 | E | B | -4.8305 | |
| 608 | K | B | -4.4449 | |
| 609 | F | B | -3.0979 | |
| 610 | K | B | -3.5360 | |
| 611 | E | B | -4.4594 | |
| 612 | E | B | -4.0823 | |
| 613 | I | B | -2.6824 | |
| 614 | L | B | -3.2345 | |
| 615 | K | B | -4.1026 | |
| 616 | E | B | -4.2030 | |
| 617 | F | B | -3.3552 | |
| 618 | E | B | -4.2980 | |
| 619 | D | B | -3.8993 | |
| 620 | A | B | -3.0063 | |
| 621 | K | B | -3.3020 | |
| 622 | P | B | -2.8076 | |
| 623 | R | B | -3.0946 | |
| 624 | L | B | -2.4251 | |
| 625 | R | B | -2.3868 | |
| 626 | S | B | -1.9960 | |
| 627 | D | B | -2.3861 | |
| 628 | M | B | -1.3467 | |
| 629 | V | B | -0.4406 | |
| 630 | M | B | -0.8039 | |
| 631 | E | B | -0.7678 | |
| 632 | N | B | -0.6471 | |
| 633 | F | B | 0.1970 | |
| 634 | V | B | 0.0662 | |
| 635 | E | B | 0.0000 | |
| 636 | E | B | -0.6177 | |
| 637 | E | B | -0.3310 | |
| 638 | L | B | -0.0402 | |
| 639 | C | B | 0.0000 | |
| 640 | V | B | 0.3109 | |
| 641 | V | B | -0.9688 | |
| 642 | K | B | -1.9907 | |
| 643 | M | B | -1.3311 | |
| 644 | D | B | -2.5385 | |
| 645 | D | B | -3.1119 | |
| 646 | K | B | -2.5214 | |
| 647 | A | B | -1.6106 | |
| 648 | M | B | -1.4421 | |
| 649 | T | B | -2.1285 | |
| 650 | D | B | -3.4297 | |
| 651 | E | B | -3.9180 | |
| 652 | E | B | -3.2083 | |
| 653 | L | B | -2.9047 | |
| 654 | E | B | -4.3294 | |
| 655 | K | B | -4.3355 | |
| 656 | L | B | -2.8468 | |
| 657 | T | B | -2.4860 | |
| 658 | D | B | -4.1403 | |
| 659 | N | B | -3.8209 | |
| 660 | V | B | 0.0000 | |
| 661 | A | B | -2.8554 | |
| 662 | E | B | -4.1632 | |
| 663 | E | B | -4.1884 | |
| 664 | I | B | -2.6728 | |
| 665 | S | B | -2.8345 | |
| 666 | K | B | -3.9684 | |
| 667 | N | B | -3.8977 | |
| 668 | G | B | -3.0305 | |
| 669 | S | B | -2.7877 | |
| 670 | E | B | -3.6193 | |
| 671 | E | B | -3.5042 | |
| 672 | N | B | -2.6704 | |
| 673 | L | B | -1.2223 | |
| 674 | S | B | -2.4207 | |
| 675 | D | B | -3.7646 | |
| 676 | E | B | -4.1210 | |
| 677 | D | B | -4.4826 | |
| 678 | K | B | -4.4060 | |
| 679 | A | B | -3.3009 | |
| 680 | K | B | -3.9446 | |
| 681 | D | B | -3.6539 | |
| 682 | S | B | -2.4652 | |
| 683 | A | B | -2.3656 | |
| 684 | K | B | -3.2468 | |
| 685 | T | B | -2.7763 | |
| 686 | D | B | -3.5619 | |
| 687 | E | B | -3.5089 | |
| 688 | A | B | -2.7254 | |
| 689 | E | B | -3.0471 | |
| 690 | A | B | -2.0863 | |
| 691 | A | B | -2.0691 | |
| 692 | E | B | -3.1175 | |
| 693 | A | B | -2.6401 | |
| 694 | Q | B | -3.3553 | |
| 695 | K | B | -4.1292 | |
| 696 | E | B | -4.0710 | |
| 697 | E | B | -3.4669 |
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 partially or entirely disordered. Average score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.8921 | 4.0655 | View | CSV | PDB |
| 4.5 | -1.0813 | 4.0467 | View | CSV | PDB |
| 5.0 | -1.3283 | 4.0122 | View | CSV | PDB |
| 5.5 | -1.591 | 4.0539 | View | CSV | PDB |
| 6.0 | -1.8224 | 4.1471 | View | CSV | PDB |
| 6.5 | -1.9848 | 4.2981 | View | CSV | PDB |
| 7.0 | -2.0649 | 4.4883 | View | CSV | PDB |
| 7.5 | -2.0807 | 4.6961 | View | CSV | PDB |
| 8.0 | -2.0593 | 4.91 | View | CSV | PDB |
| 8.5 | -2.0143 | 5.1251 | View | CSV | PDB |
| 9.0 | -1.9473 | 5.3381 | 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