| Chain sequence(s) |
A: DTHKSEIAHRFKDLGEEHFKGLVLIAFSQYLQQCPFDEHVKLVNELTEFAKTCVADESHAGCEKSLHTLFGDELCKVASLRETYGDMADCCEKQEPERNECFLSHKDDSPDLPKLKPDPNTLCDEFKADEKKFWGKYLYEIARRHPYFYAPELLYYANKYNGVFQECCQAEDKGACLLPKIETMREKVLTSSARQRLRCASIQKFGERALKAWSVARLSQKFPKAEFVEVTKLVTDLTKVHKECCHGDLLECADDRADLAKYICDNQDTISSKLKECCDKPLLEKSHCIAEVEKDAIPENLPPLTADFAEDKDVCKNYQEAKDAFLGSFLYEYSRRHPEYAVSVLLRLAKEYEATLEECCAKDDPHACYSTVFDKLKHLVDEPQNLIKQNCDQFEKLGEYGFQNALIVRYTRKVPQVSTPTLVEVSRSLGKVGTRCCTKPESERMPCTEDYLSLILNRLCVLHEKTPVSEKVTKCCTESLVNRRPCFSALTPDETYVPKAFDEKLFTFHADICTLPDTEKQIKKQTALVELLKHKPKATEEQLKTVMENFVAFVDKCCAADDKEACFAVEGPKLVVSTQTALA
B: DTHKSEIAHRFKDLGEEHFKGLVLIAFSQYLQQCPFDEHVKLVNELTEFAKTCVADESHAGCEKSLHTLFGDELCKVASLRETYGDMADCCEKQEPERNECFLSHKDDSPDLPKLKPDPNTLCDEFKADEKKFWGKYLYEIARRHPYFYAPELLYYANKYNGVFQECCQAEDKGACLLPKIETMREKVLTSSARQRLRCASIQKFGERALKAWSVARLSQKFPKAEFVEVTKLVTDLTKVHKECCHGDLLECADDRADLAKYICDNQDTISSKLKECCDKPLLEKSHCIAEVEKDAIPENLPPLTADFAEDKDVCKNYQEAKDAFLGSFLYEYSRRHPEYAVSVLLRLAKEYEATLEECCAKDDPHACYSTVFDKLKHLVDEPQNLIKQNCDQFEKLGEYGFQNALIVRYTRKVPQVSTPTLVEVSRSLGKVGTRCCTKPESERMPCTEDYLSLILNRLCVLHEKTPVSEKVTKCCTESLVNRRPCFSALTPDETYVPKAFDEKLFTFHADICTLPDTEKQIKKQTALVELLKHKPKATEEQLKTVMENFVAFVDKCCAADDKEACFAVEGPKLVVSTQTALA 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 globular. Max score is recommended for pH analysis. (00:00:08)
[INFO] FoldX: Starting FoldX energy minimization (00:00:08)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:57:47)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/97ad8602d14817e/tmp/folded.pdb (00:57:47)
[INFO] Main: Simulation completed successfully. (01:10:19)
|
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 | D | A | -2.2666 | |
| 2 | T | A | -1.9796 | |
| 3 | H | A | -2.6649 | |
| 4 | K | A | -3.6258 | |
| 5 | S | A | 0.0000 | |
| 6 | E | A | -2.2670 | |
| 7 | I | A | 0.0000 | |
| 8 | A | A | 0.0000 | |
| 9 | H | A | -2.2672 | |
| 10 | R | A | -2.0039 | |
| 11 | F | A | -2.4602 | |
| 12 | K | A | -3.1386 | |
| 13 | D | A | -3.1084 | |
| 14 | L | A | -2.2774 | |
| 15 | G | A | -2.5354 | |
| 16 | E | A | -3.4787 | |
| 17 | E | A | -2.7974 | |
| 18 | H | A | -1.9880 | |
| 19 | F | A | 0.0000 | |
| 20 | K | A | -1.8732 | |
| 21 | G | A | 0.0000 | |
| 22 | L | A | 0.0000 | |
| 23 | V | A | 0.0000 | |
| 24 | L | A | 0.0000 | |
| 25 | I | A | 0.0000 | |
| 26 | A | A | 0.0000 | |
| 27 | F | A | 0.0000 | |
| 28 | S | A | 0.0000 | |
| 29 | Q | A | 0.0000 | |
| 30 | Y | A | -0.1987 | |
| 31 | L | A | 0.0000 | |
| 32 | Q | A | 0.0000 | |
| 33 | Q | A | -1.4328 | |
| 34 | C | A | 0.0000 | |
| 35 | P | A | -1.0627 | |
| 36 | F | A | -1.3761 | |
| 37 | D | A | -2.3413 | |
| 38 | E | A | -1.7742 | |
| 39 | H | A | 0.0000 | |
| 40 | V | A | -1.8518 | |
| 41 | K | A | -2.5067 | |
| 42 | L | A | 0.0000 | |
| 43 | V | A | 0.0000 | |
| 44 | N | A | -2.5035 | |
| 45 | E | A | -3.0722 | |
| 46 | L | A | 0.0000 | |
| 47 | T | A | 0.0000 | |
| 48 | E | A | -2.9628 | |
| 49 | F | A | -1.5941 | |
| 50 | A | A | 0.0000 | |
| 51 | K | A | -2.5578 | |
| 52 | T | A | -1.7444 | |
| 53 | C | A | 0.0000 | |
| 54 | V | A | -1.2844 | |
| 55 | A | A | -1.2018 | |
| 56 | D | A | -2.4619 | |
| 57 | E | A | -3.4942 | |
| 58 | S | A | -2.4217 | |
| 59 | H | A | -2.2038 | |
| 60 | A | A | -1.4146 | |
| 61 | G | A | -1.4665 | |
| 62 | C | A | 0.0000 | |
| 63 | E | A | -3.5050 | |
| 64 | K | A | -2.2470 | |
| 65 | S | A | -1.3263 | |
| 66 | L | A | 0.0000 | |
| 67 | H | A | -0.6448 | |
| 68 | T | A | -0.8698 | |
| 69 | L | A | 0.0000 | |
| 70 | F | A | -0.2519 | |
| 71 | G | A | 0.0000 | |
| 72 | D | A | -0.9674 | |
| 73 | E | A | -1.4758 | |
| 74 | L | A | 0.0000 | |
| 75 | C | A | -1.5466 | |
| 76 | K | A | -1.8946 | |
| 77 | V | A | 0.0000 | |
| 78 | A | A | -0.9774 | |
| 79 | S | A | -1.4248 | |
| 80 | L | A | 0.0000 | |
| 81 | R | A | -3.4969 | |
| 82 | E | A | -3.0115 | |
| 83 | T | A | -1.9623 | |
| 84 | Y | A | -1.8067 | |
| 85 | G | A | -2.6701 | |
| 86 | D | A | -3.0541 | |
| 87 | M | A | 0.0000 | |
| 88 | A | A | -2.8524 | |
| 89 | D | A | -3.3848 | |
| 90 | C | A | 0.0000 | |
| 91 | C | A | -2.5185 | |
| 92 | E | A | -3.3212 | |
| 93 | K | A | -3.6827 | |
| 94 | Q | A | -2.9292 | |
| 95 | E | A | -2.3669 | |
| 96 | P | A | -2.3681 | |
| 97 | E | A | -3.5317 | |
| 98 | R | A | 0.0000 | |
| 99 | N | A | 0.0000 | |
| 100 | E | A | -2.7330 | |
| 101 | C | A | -1.9528 | |
| 102 | F | A | 0.0000 | |
| 103 | L | A | -0.7169 | |
| 104 | S | A | -0.8456 | |
| 105 | H | A | -1.0442 | |
| 106 | K | A | 0.0000 | |
| 107 | D | A | -1.8774 | |
| 108 | D | A | 0.0000 | |
| 109 | S | A | -1.2464 | |
| 110 | P | A | -1.6078 | |
| 111 | D | A | -2.2754 | |
| 112 | L | A | -1.1831 | |
| 113 | P | A | -1.1865 | |
| 114 | K | A | -1.6687 | |
| 115 | L | A | -0.3294 | |
| 116 | K | A | -1.7829 | |
| 117 | P | A | -1.2800 | |
| 118 | D | A | -1.9491 | |
| 119 | P | A | -2.1291 | |
| 120 | N | A | -2.4939 | |
| 121 | T | A | -2.0473 | |
| 122 | L | A | -2.1508 | |
| 123 | C | A | 0.0000 | |
| 124 | D | A | -3.7291 | |
| 125 | E | A | -3.9331 | |
| 126 | F | A | 0.0000 | |
| 127 | K | A | -3.7204 | |
| 128 | A | A | -2.9833 | |
| 129 | D | A | -3.7592 | |
| 130 | E | A | -3.7735 | |
| 131 | K | A | -3.6456 | |
| 132 | K | A | -3.2000 | |
| 133 | F | A | 0.0000 | |
| 134 | W | A | 0.0000 | |
| 135 | G | A | 0.0000 | |
| 136 | K | A | -1.6313 | |
| 137 | Y | A | -0.6455 | |
| 138 | L | A | 0.0000 | |
| 139 | Y | A | 0.0000 | |
| 140 | E | A | -0.2098 | |
| 141 | I | A | -0.2842 | |
| 142 | A | A | 0.0000 | |
| 143 | R | A | -0.6616 | |
| 144 | R | A | -1.0490 | |
| 145 | H | A | -0.4680 | |
| 146 | P | A | 0.0000 | |
| 147 | Y | A | -0.1011 | |
| 148 | F | A | 0.0000 | |
| 149 | Y | A | 0.0000 | |
| 150 | A | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | E | A | -0.3835 | |
| 153 | L | A | 0.0000 | |
| 154 | L | A | 0.0000 | |
| 155 | Y | A | 0.0000 | |
| 156 | Y | A | 0.0000 | |
| 157 | A | A | 0.0000 | |
| 158 | N | A | -1.6476 | |
| 159 | K | A | -1.9144 | |
| 160 | Y | A | 0.0000 | |
| 161 | N | A | 0.0000 | |
| 162 | G | A | -1.6741 | |
| 163 | V | A | -1.4062 | |
| 164 | F | A | 0.0000 | |
| 165 | Q | A | -2.7544 | |
| 166 | E | A | -2.6820 | |
| 167 | C | A | 0.0000 | |
| 168 | C | A | 0.0000 | |
| 169 | Q | A | -2.6094 | |
| 170 | A | A | -2.4566 | |
| 171 | E | A | -3.0932 | |
| 172 | D | A | -3.0992 | |
| 173 | K | A | -2.5077 | |
| 174 | G | A | -1.5056 | |
| 175 | A | A | -0.9637 | |
| 176 | C | A | -1.1832 | |
| 177 | L | A | 0.0000 | |
| 178 | L | A | -0.7145 | |
| 179 | P | A | -1.2819 | |
| 180 | K | A | -1.6518 | |
| 181 | I | A | -2.0859 | |
| 182 | E | A | -3.2291 | |
| 183 | T | A | -2.5451 | |
| 184 | M | A | 0.0000 | |
| 185 | R | A | -3.5664 | |
| 186 | E | A | -3.1779 | |
| 187 | K | A | -2.9086 | |
| 188 | V | A | 0.0000 | |
| 189 | L | A | -0.8386 | |
| 190 | T | A | -1.0782 | |
| 191 | S | A | -0.9952 | |
| 192 | S | A | 0.0000 | |
| 193 | A | A | -0.5535 | |
| 194 | R | A | -0.8548 | |
| 195 | Q | A | 0.0000 | |
| 196 | R | A | -0.5193 | |
| 197 | L | A | -0.4173 | |
| 198 | R | A | -0.6997 | |
| 199 | C | A | 0.0000 | |
| 200 | A | A | 0.0000 | |
| 201 | S | A | 0.0000 | |
| 202 | I | A | -1.5598 | |
| 203 | Q | A | -1.7492 | |
| 204 | K | A | -1.4009 | |
| 205 | F | A | -1.0320 | |
| 206 | G | A | -1.6372 | |
| 207 | E | A | -2.5847 | |
| 208 | R | A | -2.7934 | |
| 209 | A | A | -1.5611 | |
| 210 | L | A | 0.0000 | |
| 211 | K | A | -2.1413 | |
| 212 | A | A | -1.2783 | |
| 213 | W | A | -0.6022 | |
| 214 | S | A | 0.0000 | |
| 215 | V | A | 0.0000 | |
| 216 | A | A | 0.0000 | |
| 217 | R | A | -0.4758 | |
| 218 | L | A | 0.0000 | |
| 219 | S | A | 0.0000 | |
| 220 | Q | A | 0.0000 | |
| 221 | K | A | 0.0000 | |
| 222 | F | A | 0.0000 | |
| 223 | P | A | 0.0000 | |
| 224 | K | A | -1.6079 | |
| 225 | A | A | 0.0000 | |
| 226 | E | A | -1.5846 | |
| 227 | F | A | -0.2133 | |
| 228 | V | A | 0.8921 | |
| 229 | E | A | -0.4789 | |
| 230 | V | A | 0.0000 | |
| 231 | T | A | -0.4980 | |
| 232 | K | A | -1.1091 | |
| 233 | L | A | 0.0000 | |
| 234 | V | A | 0.0000 | |
| 235 | T | A | -1.3045 | |
| 236 | D | A | -1.8213 | |
| 237 | L | A | 0.0000 | |
| 238 | T | A | 0.0000 | |
| 239 | K | A | -1.8059 | |
| 240 | V | A | 0.0000 | |
| 241 | H | A | 0.0000 | |
| 242 | K | A | -1.6091 | |
| 243 | E | A | -1.2613 | |
| 244 | C | A | 0.0000 | |
| 245 | C | A | -0.6979 | |
| 246 | H | A | -1.0816 | |
| 247 | G | A | -0.6778 | |
| 248 | D | A | -0.7128 | |
| 249 | L | A | 0.0000 | |
| 250 | L | A | 0.0000 | |
| 251 | E | A | -1.1661 | |
| 252 | C | A | 0.0000 | |
| 253 | A | A | 0.0000 | |
| 254 | D | A | -1.6226 | |
| 255 | D | A | -1.9865 | |
| 256 | R | A | -1.4850 | |
| 257 | A | A | -1.6585 | |
| 258 | D | A | -2.6862 | |
| 259 | L | A | 0.0000 | |
| 260 | A | A | 0.0000 | |
| 261 | K | A | -2.5447 | |
| 262 | Y | A | -1.6503 | |
| 263 | I | A | 0.0000 | |
| 264 | C | A | -2.3895 | |
| 265 | D | A | -2.5494 | |
| 266 | N | A | -2.0641 | |
| 267 | Q | A | -2.1819 | |
| 268 | D | A | -2.6964 | |
| 269 | T | A | -1.8909 | |
| 270 | I | A | 0.0000 | |
| 271 | S | A | 0.0000 | |
| 272 | S | A | -1.9620 | |
| 273 | K | A | -2.4631 | |
| 274 | L | A | 0.0000 | |
| 275 | K | A | -3.5460 | |
| 276 | E | A | -3.5593 | |
| 277 | C | A | 0.0000 | |
| 278 | C | A | -2.9940 | |
| 279 | D | A | -3.4253 | |
| 280 | K | A | -3.0190 | |
| 281 | P | A | -1.2111 | |
| 282 | L | A | -0.4098 | |
| 283 | L | A | 0.0000 | |
| 284 | E | A | -1.4097 | |
| 285 | K | A | -1.8288 | |
| 286 | S | A | 0.0000 | |
| 287 | H | A | -0.8826 | |
| 288 | C | A | -1.5602 | |
| 289 | I | A | 0.0000 | |
| 290 | A | A | -1.2027 | |
| 291 | E | A | -2.3567 | |
| 292 | V | A | 0.0000 | |
| 293 | E | A | -3.0111 | |
| 294 | K | A | -2.4544 | |
| 295 | D | A | 0.0000 | |
| 296 | A | A | -0.5366 | |
| 297 | I | A | -0.2195 | |
| 298 | P | A | -1.0653 | |
| 299 | E | A | -2.1530 | |
| 300 | N | A | -1.9967 | |
| 301 | L | A | -0.9526 | |
| 302 | P | A | -0.9482 | |
| 303 | P | A | -0.6728 | |
| 304 | L | A | -0.6043 | |
| 305 | T | A | -1.0024 | |
| 306 | A | A | -1.4594 | |
| 307 | D | A | -2.7152 | |
| 308 | F | A | 0.0000 | |
| 309 | A | A | 0.0000 | |
| 310 | E | A | -3.1639 | |
| 311 | D | A | -3.4967 | |
| 312 | K | A | -3.6903 | |
| 313 | D | A | -3.6560 | |
| 314 | V | A | 0.0000 | |
| 315 | C | A | -2.7937 | |
| 316 | K | A | -3.8465 | |
| 317 | N | A | -3.7384 | |
| 318 | Y | A | 0.0000 | |
| 319 | Q | A | -3.6641 | |
| 320 | E | A | -3.5999 | |
| 321 | A | A | -2.6553 | |
| 322 | K | A | -3.2949 | |
| 323 | D | A | -2.7697 | |
| 324 | A | A | -1.5274 | |
| 325 | F | A | 0.0000 | |
| 326 | L | A | -1.1768 | |
| 327 | G | A | -0.8870 | |
| 328 | S | A | -0.3375 | |
| 329 | F | A | 0.0000 | |
| 330 | L | A | 0.0000 | |
| 331 | Y | A | 0.0000 | |
| 332 | E | A | -0.6384 | |
| 333 | Y | A | 0.0000 | |
| 334 | S | A | 0.0000 | |
| 335 | R | A | 0.0000 | |
| 336 | R | A | -0.3567 | |
| 337 | H | A | -0.7297 | |
| 338 | P | A | -1.1418 | |
| 339 | E | A | -2.1337 | |
| 340 | Y | A | -0.9641 | |
| 341 | A | A | 0.0000 | |
| 342 | V | A | 0.0238 | |
| 343 | S | A | 0.0320 | |
| 344 | V | A | 0.0000 | |
| 345 | L | A | 0.0000 | |
| 346 | L | A | -0.4464 | |
| 347 | R | A | 0.0000 | |
| 348 | L | A | 0.0000 | |
| 349 | A | A | -1.2200 | |
| 350 | K | A | -2.4163 | |
| 351 | E | A | -2.2335 | |
| 352 | Y | A | 0.0000 | |
| 353 | E | A | -2.4236 | |
| 354 | A | A | -2.0793 | |
| 355 | T | A | 0.0000 | |
| 356 | L | A | 0.0000 | |
| 357 | E | A | -3.2063 | |
| 358 | E | A | -3.0523 | |
| 359 | C | A | 0.0000 | |
| 360 | C | A | -2.5044 | |
| 361 | A | A | -2.3927 | |
| 362 | K | A | -3.6649 | |
| 363 | D | A | -3.4835 | |
| 364 | D | A | -3.2394 | |
| 365 | P | A | -2.6351 | |
| 366 | H | A | -2.2904 | |
| 367 | A | A | -1.2355 | |
| 368 | C | A | -1.0553 | |
| 369 | Y | A | 0.0000 | |
| 370 | S | A | -1.1134 | |
| 371 | T | A | -1.0732 | |
| 372 | V | A | 0.0000 | |
| 373 | F | A | -1.7883 | |
| 374 | D | A | -3.3160 | |
| 375 | K | A | -3.3251 | |
| 376 | L | A | 0.0000 | |
| 377 | K | A | -3.4099 | |
| 378 | H | A | -3.3736 | |
| 379 | L | A | -2.3512 | |
| 380 | V | A | -2.0086 | |
| 381 | D | A | -3.4988 | |
| 382 | E | A | -3.3790 | |
| 383 | P | A | 0.0000 | |
| 384 | Q | A | -3.1612 | |
| 385 | N | A | -3.1140 | |
| 386 | L | A | -1.9764 | |
| 387 | I | A | 0.0000 | |
| 388 | K | A | -3.6776 | |
| 389 | Q | A | -3.1722 | |
| 390 | N | A | -2.6251 | |
| 391 | C | A | 0.0000 | |
| 392 | D | A | -3.9636 | |
| 393 | Q | A | -3.0496 | |
| 394 | F | A | 0.0000 | |
| 395 | E | A | -3.4805 | |
| 396 | K | A | -3.1495 | |
| 397 | L | A | -1.2907 | |
| 398 | G | A | -1.5493 | |
| 399 | E | A | -1.5903 | |
| 400 | Y | A | -0.2454 | |
| 401 | G | A | -0.4387 | |
| 402 | F | A | 0.0000 | |
| 403 | Q | A | 0.0000 | |
| 404 | N | A | -0.3175 | |
| 405 | A | A | -0.5191 | |
| 406 | L | A | 0.0000 | |
| 407 | I | A | 0.0000 | |
| 408 | V | A | 0.0000 | |
| 409 | R | A | -0.9116 | |
| 410 | Y | A | 0.0000 | |
| 411 | T | A | 0.0000 | |
| 412 | R | A | -1.2836 | |
| 413 | K | A | 0.0000 | |
| 414 | V | A | 0.0000 | |
| 415 | P | A | 0.0000 | |
| 416 | Q | A | -1.3103 | |
| 417 | V | A | 0.0000 | |
| 418 | S | A | -0.5022 | |
| 419 | T | A | 0.0000 | |
| 420 | P | A | -0.6961 | |
| 421 | T | A | -0.9124 | |
| 422 | L | A | 0.0000 | |
| 423 | V | A | 0.0000 | |
| 424 | E | A | -2.0012 | |
| 425 | V | A | 0.0000 | |
| 426 | S | A | 0.0000 | |
| 427 | R | A | -1.1559 | |
| 428 | S | A | -1.0242 | |
| 429 | L | A | 0.0000 | |
| 430 | G | A | 0.0000 | |
| 431 | K | A | -1.2603 | |
| 432 | V | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | T | A | -1.0822 | |
| 435 | R | A | -0.7218 | |
| 436 | C | A | 0.0000 | |
| 437 | C | A | 0.0000 | |
| 438 | T | A | -1.2504 | |
| 439 | K | A | -1.8405 | |
| 440 | P | A | -2.1485 | |
| 441 | E | A | -3.0757 | |
| 442 | S | A | -2.5178 | |
| 443 | E | A | -3.0453 | |
| 444 | R | A | -2.4465 | |
| 445 | M | A | 0.0000 | |
| 446 | P | A | -1.0674 | |
| 447 | C | A | -0.6904 | |
| 448 | T | A | 0.0000 | |
| 449 | E | A | 0.0000 | |
| 450 | D | A | -0.1989 | |
| 451 | Y | A | -0.1395 | |
| 452 | L | A | 0.0440 | |
| 453 | S | A | -0.2486 | |
| 454 | L | A | 0.0000 | |
| 455 | I | A | 0.0000 | |
| 456 | L | A | 0.0000 | |
| 457 | N | A | 0.0000 | |
| 458 | R | A | -1.1073 | |
| 459 | L | A | 0.0000 | |
| 460 | C | A | 0.0000 | |
| 461 | V | A | 0.0000 | |
| 462 | L | A | -1.0107 | |
| 463 | H | A | 0.0000 | |
| 464 | E | A | -1.7947 | |
| 465 | K | A | -2.1431 | |
| 466 | T | A | -1.0518 | |
| 467 | P | A | -1.1500 | |
| 468 | V | A | -0.6005 | |
| 469 | S | A | 0.0000 | |
| 470 | E | A | -2.2319 | |
| 471 | K | A | -1.4880 | |
| 472 | V | A | 0.0000 | |
| 473 | T | A | -1.6426 | |
| 474 | K | A | -2.0220 | |
| 475 | C | A | 0.0000 | |
| 476 | C | A | 0.0000 | |
| 477 | T | A | -1.4257 | |
| 478 | E | A | -2.1635 | |
| 479 | S | A | -1.3982 | |
| 480 | L | A | -0.4328 | |
| 481 | V | A | 0.0000 | |
| 482 | N | A | -1.2106 | |
| 483 | R | A | 0.0000 | |
| 484 | R | A | 0.0000 | |
| 485 | P | A | -0.3928 | |
| 486 | C | A | -0.4364 | |
| 487 | F | A | 0.0000 | |
| 488 | S | A | 0.0474 | |
| 489 | A | A | 0.1160 | |
| 490 | L | A | -0.0279 | |
| 491 | T | A | -0.6172 | |
| 492 | P | A | -1.2695 | |
| 493 | D | A | -1.3796 | |
| 494 | E | A | -2.0431 | |
| 495 | T | A | -0.6839 | |
| 496 | Y | A | -0.1086 | |
| 497 | V | A | 1.0532 | |
| 498 | P | A | -0.2209 | |
| 499 | K | A | -0.6037 | |
| 500 | A | A | -0.1842 | |
| 501 | F | A | -0.3748 | |
| 502 | D | A | -1.4561 | |
| 503 | E | A | -2.4691 | |
| 504 | K | A | -2.3837 | |
| 505 | L | A | -0.9795 | |
| 506 | F | A | -0.6731 | |
| 507 | T | A | -0.9929 | |
| 508 | F | A | -1.0974 | |
| 509 | H | A | -1.8625 | |
| 510 | A | A | -2.0801 | |
| 511 | D | A | -2.3915 | |
| 512 | I | A | 0.0000 | |
| 513 | C | A | -1.0236 | |
| 514 | T | A | -1.3590 | |
| 515 | L | A | -1.0516 | |
| 516 | P | A | -1.4392 | |
| 517 | D | A | -1.7561 | |
| 518 | T | A | -1.3514 | |
| 519 | E | A | -2.0971 | |
| 520 | K | A | -1.7769 | |
| 521 | Q | A | -1.1382 | |
| 522 | I | A | -1.1270 | |
| 523 | K | A | -1.3639 | |
| 524 | K | A | -0.7058 | |
| 525 | Q | A | 0.0000 | |
| 526 | T | A | -0.4687 | |
| 527 | A | A | -0.1287 | |
| 528 | L | A | 0.0000 | |
| 529 | V | A | 0.0000 | |
| 530 | E | A | 0.0000 | |
| 531 | L | A | 0.0000 | |
| 532 | L | A | 0.0000 | |
| 533 | K | A | 0.0000 | |
| 534 | H | A | -0.5518 | |
| 535 | K | A | -1.0966 | |
| 536 | P | A | -1.3322 | |
| 537 | K | A | -2.3470 | |
| 538 | A | A | 0.0000 | |
| 539 | T | A | -2.3541 | |
| 540 | E | A | -3.4733 | |
| 541 | E | A | -3.4722 | |
| 542 | Q | A | -2.3422 | |
| 543 | L | A | 0.0000 | |
| 544 | K | A | -3.4551 | |
| 545 | T | A | -2.4091 | |
| 546 | V | A | 0.0000 | |
| 547 | M | A | -0.9871 | |
| 548 | E | A | -1.8525 | |
| 549 | N | A | -1.2754 | |
| 550 | F | A | -0.2690 | |
| 551 | V | A | 0.5795 | |
| 552 | A | A | -0.4477 | |
| 553 | F | A | 0.0000 | |
| 554 | V | A | -0.3173 | |
| 555 | D | A | -1.3440 | |
| 556 | K | A | -1.3623 | |
| 557 | C | A | 0.0000 | |
| 558 | C | A | -1.5429 | |
| 559 | A | A | -1.1592 | |
| 560 | A | A | -1.9130 | |
| 561 | D | A | -2.6166 | |
| 562 | D | A | -2.7883 | |
| 563 | K | A | -2.4131 | |
| 564 | E | A | -2.5385 | |
| 565 | A | A | -1.1878 | |
| 566 | C | A | -0.9765 | |
| 567 | F | A | 0.0000 | |
| 568 | A | A | -0.0684 | |
| 569 | V | A | 0.9174 | |
| 570 | E | A | -0.2669 | |
| 571 | G | A | 0.0030 | |
| 572 | P | A | -0.3193 | |
| 573 | K | A | -0.8641 | |
| 574 | L | A | -0.0874 | |
| 575 | V | A | 0.3422 | |
| 576 | V | A | 1.1743 | |
| 577 | S | A | 0.1591 | |
| 578 | T | A | 0.0857 | |
| 579 | Q | A | 0.3604 | |
| 580 | T | A | 0.2731 | |
| 581 | A | A | 0.0710 | |
| 582 | L | A | 0.0000 | |
| 583 | A | A | -0.1570 | |
| 1 | D | B | -2.1972 | |
| 2 | T | B | -1.7062 | |
| 3 | H | B | -2.5427 | |
| 4 | K | B | -3.2955 | |
| 5 | S | B | 0.0000 | |
| 6 | E | B | -1.9168 | |
| 7 | I | B | 0.0000 | |
| 8 | A | B | 0.0000 | |
| 9 | H | B | -2.1002 | |
| 10 | R | B | -1.8126 | |
| 11 | F | B | 0.0000 | |
| 12 | K | B | -2.9528 | |
| 13 | D | B | -3.2812 | |
| 14 | L | B | 0.0000 | |
| 15 | G | B | -2.5164 | |
| 16 | E | B | -2.9956 | |
| 17 | E | B | -2.9372 | |
| 18 | H | B | -1.9385 | |
| 19 | F | B | 0.0000 | |
| 20 | K | B | -1.6984 | |
| 21 | G | B | 0.0000 | |
| 22 | L | B | 0.0000 | |
| 23 | V | B | 0.0000 | |
| 24 | L | B | 0.0000 | |
| 25 | I | B | 0.0000 | |
| 26 | A | B | 0.0000 | |
| 27 | F | B | 0.0000 | |
| 28 | S | B | 0.0000 | |
| 29 | Q | B | 0.0000 | |
| 30 | Y | B | 0.0000 | |
| 31 | L | B | 0.0000 | |
| 32 | Q | B | 0.0000 | |
| 33 | Q | B | -1.0446 | |
| 34 | C | B | 0.0000 | |
| 35 | P | B | -0.9673 | |
| 36 | F | B | -1.2847 | |
| 37 | D | B | -2.0629 | |
| 38 | E | B | -1.7583 | |
| 39 | H | B | 0.0000 | |
| 40 | V | B | -1.5067 | |
| 41 | K | B | -2.5524 | |
| 42 | L | B | 0.0000 | |
| 43 | V | B | 0.0000 | |
| 44 | N | B | -2.4471 | |
| 45 | E | B | -3.1053 | |
| 46 | L | B | 0.0000 | |
| 47 | T | B | 0.0000 | |
| 48 | E | B | -2.7188 | |
| 49 | F | B | -1.3984 | |
| 50 | A | B | 0.0000 | |
| 51 | K | B | -2.0985 | |
| 52 | T | B | -1.3325 | |
| 53 | C | B | 0.0000 | |
| 54 | V | B | -1.1767 | |
| 55 | A | B | -0.9876 | |
| 56 | D | B | -2.2167 | |
| 57 | E | B | -3.1617 | |
| 58 | S | B | -2.1477 | |
| 59 | H | B | -1.7418 | |
| 60 | A | B | -1.1085 | |
| 61 | G | B | -1.1323 | |
| 62 | C | B | 0.0000 | |
| 63 | E | B | -3.2143 | |
| 64 | K | B | -1.9851 | |
| 65 | S | B | -1.1787 | |
| 66 | L | B | 0.0000 | |
| 67 | H | B | -1.0148 | |
| 68 | T | B | -0.9826 | |
| 69 | L | B | 0.0000 | |
| 70 | F | B | 0.0000 | |
| 71 | G | B | 0.0000 | |
| 72 | D | B | -1.3040 | |
| 73 | E | B | -1.5539 | |
| 74 | L | B | 0.0000 | |
| 75 | C | B | -1.5860 | |
| 76 | K | B | -1.8934 | |
| 77 | V | B | 0.0000 | |
| 78 | A | B | -1.0673 | |
| 79 | S | B | -1.4536 | |
| 80 | L | B | 0.0000 | |
| 81 | R | B | -3.4308 | |
| 82 | E | B | -2.9641 | |
| 83 | T | B | -1.9250 | |
| 84 | Y | B | -1.8398 | |
| 85 | G | B | -2.3571 | |
| 86 | D | B | -3.0746 | |
| 87 | M | B | 0.0000 | |
| 88 | A | B | -2.8379 | |
| 89 | D | B | -3.3999 | |
| 90 | C | B | 0.0000 | |
| 91 | C | B | -2.4993 | |
| 92 | E | B | -3.0191 | |
| 93 | K | B | -3.2374 | |
| 94 | Q | B | -2.7614 | |
| 95 | E | B | -2.3130 | |
| 96 | P | B | -2.1710 | |
| 97 | E | B | -2.8733 | |
| 98 | R | B | -2.9518 | |
| 99 | N | B | -2.0374 | |
| 100 | E | B | -2.6231 | |
| 101 | C | B | -1.9645 | |
| 102 | F | B | 0.0000 | |
| 103 | L | B | -1.0278 | |
| 104 | S | B | -0.8655 | |
| 105 | H | B | -1.1187 | |
| 106 | K | B | 0.0000 | |
| 107 | D | B | -1.3931 | |
| 108 | D | B | 0.0000 | |
| 109 | S | B | -1.1087 | |
| 110 | P | B | -1.3912 | |
| 111 | D | B | -2.1357 | |
| 112 | L | B | -1.2869 | |
| 113 | P | B | -1.4881 | |
| 114 | K | B | -2.3343 | |
| 115 | L | B | -1.3969 | |
| 116 | K | B | -2.3351 | |
| 117 | P | B | -1.7044 | |
| 118 | D | B | -2.1065 | |
| 119 | P | B | -1.9331 | |
| 120 | N | B | -2.5030 | |
| 121 | T | B | -1.9357 | |
| 122 | L | B | -1.7465 | |
| 123 | C | B | 0.0000 | |
| 124 | D | B | -3.2246 | |
| 125 | E | B | -3.4726 | |
| 126 | F | B | 0.0000 | |
| 127 | K | B | -3.4102 | |
| 128 | A | B | -2.9134 | |
| 129 | D | B | -3.8960 | |
| 130 | E | B | -4.2896 | |
| 131 | K | B | -3.9393 | |
| 132 | K | B | -3.1464 | |
| 133 | F | B | 0.0000 | |
| 134 | W | B | -2.0904 | |
| 135 | G | B | 0.0000 | |
| 136 | K | B | -1.2954 | |
| 137 | Y | B | -0.7134 | |
| 138 | L | B | 0.0000 | |
| 139 | Y | B | 0.0000 | |
| 140 | E | B | -0.3378 | |
| 141 | I | B | 0.0000 | |
| 142 | A | B | 0.0000 | |
| 143 | R | B | 0.0000 | |
| 144 | R | B | -0.9507 | |
| 145 | H | B | -0.3754 | |
| 146 | P | B | 0.0000 | |
| 147 | Y | B | -0.1243 | |
| 148 | F | B | 0.0000 | |
| 149 | Y | B | -0.0066 | |
| 150 | A | B | 0.0000 | |
| 151 | P | B | -0.1521 | |
| 152 | E | B | -0.2836 | |
| 153 | L | B | 0.0000 | |
| 154 | L | B | 0.0000 | |
| 155 | Y | B | 0.0000 | |
| 156 | Y | B | 0.0000 | |
| 157 | A | B | 0.0000 | |
| 158 | N | B | -1.6945 | |
| 159 | K | B | -2.0194 | |
| 160 | Y | B | -1.2099 | |
| 161 | N | B | -1.9296 | |
| 162 | G | B | -1.8074 | |
| 163 | V | B | 0.0000 | |
| 164 | F | B | 0.0000 | |
| 165 | Q | B | -2.9503 | |
| 166 | E | B | -2.7224 | |
| 167 | C | B | 0.0000 | |
| 168 | C | B | -2.5498 | |
| 169 | Q | B | -2.4936 | |
| 170 | A | B | -2.2789 | |
| 171 | E | B | -3.0050 | |
| 172 | D | B | -3.0655 | |
| 173 | K | B | -2.2242 | |
| 174 | G | B | -1.4697 | |
| 175 | A | B | -0.8313 | |
| 176 | C | B | -1.0925 | |
| 177 | L | B | 0.0000 | |
| 178 | L | B | -0.7190 | |
| 179 | P | B | -1.0847 | |
| 180 | K | B | -1.6652 | |
| 181 | I | B | 0.0000 | |
| 182 | E | B | -2.7792 | |
| 183 | T | B | -2.0972 | |
| 184 | M | B | 0.0000 | |
| 185 | R | B | -2.2319 | |
| 186 | E | B | -2.0213 | |
| 187 | K | B | -2.2567 | |
| 188 | V | B | 0.0000 | |
| 189 | L | B | -0.1268 | |
| 190 | T | B | -0.5654 | |
| 191 | S | B | -0.5720 | |
| 192 | S | B | -0.2128 | |
| 193 | A | B | -0.2557 | |
| 194 | R | B | -0.3855 | |
| 195 | Q | B | 0.0000 | |
| 196 | R | B | -0.3787 | |
| 197 | L | B | 0.0000 | |
| 198 | R | B | -0.7429 | |
| 199 | C | B | 0.0000 | |
| 200 | A | B | 0.0000 | |
| 201 | S | B | 0.0000 | |
| 202 | I | B | 0.0000 | |
| 203 | Q | B | -1.7990 | |
| 204 | K | B | -1.2281 | |
| 205 | F | B | -0.9360 | |
| 206 | G | B | -1.6394 | |
| 207 | E | B | -2.6745 | |
| 208 | R | B | -2.7658 | |
| 209 | A | B | -1.5078 | |
| 210 | L | B | 0.0000 | |
| 211 | K | B | -2.1181 | |
| 212 | A | B | -1.3171 | |
| 213 | W | B | -0.6697 | |
| 214 | S | B | 0.0000 | |
| 215 | V | B | 0.0000 | |
| 216 | A | B | 0.0000 | |
| 217 | R | B | -0.6947 | |
| 218 | L | B | 0.0000 | |
| 219 | S | B | 0.0000 | |
| 220 | Q | B | 0.0000 | |
| 221 | K | B | 0.0000 | |
| 222 | F | B | 0.0000 | |
| 223 | P | B | 0.0000 | |
| 224 | K | B | -1.9873 | |
| 225 | A | B | 0.0000 | |
| 226 | E | B | -1.6186 | |
| 227 | F | B | -0.0968 | |
| 228 | V | B | 1.0578 | |
| 229 | E | B | -0.2269 | |
| 230 | V | B | 0.0000 | |
| 231 | T | B | -0.1366 | |
| 232 | K | B | -0.5007 | |
| 233 | L | B | 0.0000 | |
| 234 | V | B | 0.0000 | |
| 235 | T | B | -0.9109 | |
| 236 | D | B | -1.4675 | |
| 237 | L | B | -0.8939 | |
| 238 | T | B | 0.0000 | |
| 239 | K | B | -1.8605 | |
| 240 | V | B | 0.0000 | |
| 241 | H | B | 0.0000 | |
| 242 | K | B | -1.6774 | |
| 243 | E | B | -1.3798 | |
| 244 | C | B | 0.0000 | |
| 245 | C | B | -0.8534 | |
| 246 | H | B | -1.3200 | |
| 247 | G | B | -0.8287 | |
| 248 | D | B | -0.8305 | |
| 249 | L | B | 0.0000 | |
| 250 | L | B | 0.0000 | |
| 251 | E | B | -1.1918 | |
| 252 | C | B | 0.0000 | |
| 253 | A | B | 0.0000 | |
| 254 | D | B | -1.6845 | |
| 255 | D | B | -2.4591 | |
| 256 | R | B | -1.7080 | |
| 257 | A | B | -1.8121 | |
| 258 | D | B | -2.9852 | |
| 259 | L | B | 0.0000 | |
| 260 | A | B | 0.0000 | |
| 261 | K | B | -2.6868 | |
| 262 | Y | B | -1.7407 | |
| 263 | I | B | 0.0000 | |
| 264 | C | B | -2.1803 | |
| 265 | D | B | -2.6024 | |
| 266 | N | B | -2.0982 | |
| 267 | Q | B | -2.2107 | |
| 268 | D | B | -2.5158 | |
| 269 | T | B | -2.0017 | |
| 270 | I | B | 0.0000 | |
| 271 | S | B | 0.0000 | |
| 272 | S | B | -1.9692 | |
| 273 | K | B | -2.3780 | |
| 274 | L | B | 0.0000 | |
| 275 | K | B | -3.2927 | |
| 276 | E | B | -3.4284 | |
| 277 | C | B | 0.0000 | |
| 278 | C | B | -2.7753 | |
| 279 | D | B | -3.0059 | |
| 280 | K | B | -2.1386 | |
| 281 | P | B | -0.7857 | |
| 282 | L | B | -0.1865 | |
| 283 | L | B | -0.3598 | |
| 284 | E | B | -1.3973 | |
| 285 | K | B | -1.4697 | |
| 286 | S | B | -0.8492 | |
| 287 | H | B | -0.8729 | |
| 288 | C | B | -1.4126 | |
| 289 | I | B | 0.0000 | |
| 290 | A | B | -1.2533 | |
| 291 | E | B | -2.2550 | |
| 292 | V | B | -2.2034 | |
| 293 | E | B | -2.7915 | |
| 294 | K | B | -2.1162 | |
| 295 | D | B | 0.0000 | |
| 296 | A | B | -0.5033 | |
| 297 | I | B | -0.0080 | |
| 298 | P | B | -1.0568 | |
| 299 | E | B | -2.2431 | |
| 300 | N | B | -1.9253 | |
| 301 | L | B | -0.7983 | |
| 302 | P | B | -0.8764 | |
| 303 | P | B | -0.8091 | |
| 304 | L | B | -0.6047 | |
| 305 | T | B | -1.1719 | |
| 306 | A | B | -1.8859 | |
| 307 | D | B | -3.1172 | |
| 308 | F | B | 0.0000 | |
| 309 | A | B | 0.0000 | |
| 310 | E | B | -3.2923 | |
| 311 | D | B | -3.6780 | |
| 312 | K | B | -4.0579 | |
| 313 | D | B | -4.4408 | |
| 314 | V | B | 0.0000 | |
| 315 | C | B | -3.0257 | |
| 316 | K | B | -4.1764 | |
| 317 | N | B | -4.2260 | |
| 318 | Y | B | 0.0000 | |
| 319 | Q | B | -3.8462 | |
| 320 | E | B | -3.7321 | |
| 321 | A | B | -2.7419 | |
| 322 | K | B | -3.2367 | |
| 323 | D | B | -2.6994 | |
| 324 | A | B | -1.3796 | |
| 325 | F | B | 0.0000 | |
| 326 | L | B | 0.0000 | |
| 327 | G | B | -0.9180 | |
| 328 | S | B | -0.1843 | |
| 329 | F | B | 0.0000 | |
| 330 | L | B | 0.0000 | |
| 331 | Y | B | 0.0000 | |
| 332 | E | B | -0.6591 | |
| 333 | Y | B | 0.0000 | |
| 334 | S | B | 0.0000 | |
| 335 | R | B | 0.0000 | |
| 336 | R | B | -0.4445 | |
| 337 | H | B | -0.8570 | |
| 338 | P | B | -1.1478 | |
| 339 | E | B | -2.0741 | |
| 340 | Y | B | -0.9151 | |
| 341 | A | B | -0.5528 | |
| 342 | V | B | -0.1875 | |
| 343 | S | B | 0.0000 | |
| 344 | V | B | 0.0000 | |
| 345 | L | B | 0.0000 | |
| 346 | L | B | 0.0000 | |
| 347 | R | B | 0.0000 | |
| 348 | L | B | 0.0000 | |
| 349 | A | B | -0.8896 | |
| 350 | K | B | -1.5600 | |
| 351 | E | B | -2.0882 | |
| 352 | Y | B | 0.0000 | |
| 353 | E | B | -2.3583 | |
| 354 | A | B | -1.9043 | |
| 355 | T | B | -1.8452 | |
| 356 | L | B | 0.0000 | |
| 357 | E | B | -2.8508 | |
| 358 | E | B | -3.0048 | |
| 359 | C | B | 0.0000 | |
| 360 | C | B | -2.0600 | |
| 361 | A | B | -1.9902 | |
| 362 | K | B | -3.3069 | |
| 363 | D | B | -3.2427 | |
| 364 | D | B | -3.2528 | |
| 365 | P | B | -2.4629 | |
| 366 | H | B | -2.0961 | |
| 367 | A | B | -0.9035 | |
| 368 | C | B | -0.8207 | |
| 369 | Y | B | 0.0000 | |
| 370 | S | B | -1.0843 | |
| 371 | T | B | -1.0536 | |
| 372 | V | B | 0.0000 | |
| 373 | F | B | -1.7000 | |
| 374 | D | B | -3.2494 | |
| 375 | K | B | -3.3841 | |
| 376 | L | B | 0.0000 | |
| 377 | K | B | -3.5942 | |
| 378 | H | B | -3.3661 | |
| 379 | L | B | -2.2613 | |
| 380 | V | B | -1.8136 | |
| 381 | D | B | -3.0805 | |
| 382 | E | B | -2.5981 | |
| 383 | P | B | 0.0000 | |
| 384 | Q | B | -2.2984 | |
| 385 | N | B | -2.6831 | |
| 386 | L | B | -1.8097 | |
| 387 | I | B | 0.0000 | |
| 388 | K | B | -3.4606 | |
| 389 | Q | B | -3.0156 | |
| 390 | N | B | -2.5666 | |
| 391 | C | B | 0.0000 | |
| 392 | D | B | -3.7714 | |
| 393 | Q | B | -2.8740 | |
| 394 | F | B | -2.4162 | |
| 395 | E | B | -3.2934 | |
| 396 | K | B | -3.1156 | |
| 397 | L | B | -1.4934 | |
| 398 | G | B | -1.5490 | |
| 399 | E | B | -1.2186 | |
| 400 | Y | B | -0.3760 | |
| 401 | G | B | -0.5643 | |
| 402 | F | B | 0.0000 | |
| 403 | Q | B | 0.0000 | |
| 404 | N | B | -0.3622 | |
| 405 | A | B | -0.4818 | |
| 406 | L | B | 0.0000 | |
| 407 | I | B | 0.0000 | |
| 408 | V | B | -0.6462 | |
| 409 | R | B | -1.0414 | |
| 410 | Y | B | 0.0000 | |
| 411 | T | B | 0.0000 | |
| 412 | R | B | -1.2165 | |
| 413 | K | B | 0.0000 | |
| 414 | V | B | 0.0000 | |
| 415 | P | B | 0.0000 | |
| 416 | Q | B | -0.3461 | |
| 417 | V | B | 0.0000 | |
| 418 | S | B | -0.1772 | |
| 419 | T | B | 0.0000 | |
| 420 | P | B | -0.5354 | |
| 421 | T | B | -0.5420 | |
| 422 | L | B | 0.0000 | |
| 423 | V | B | 0.0000 | |
| 424 | E | B | -0.9851 | |
| 425 | V | B | 0.0000 | |
| 426 | S | B | 0.0000 | |
| 427 | R | B | -0.7249 | |
| 428 | S | B | -0.6599 | |
| 429 | L | B | -0.3218 | |
| 430 | G | B | 0.0000 | |
| 431 | K | B | -1.1909 | |
| 432 | V | B | 0.0000 | |
| 433 | G | B | 0.0000 | |
| 434 | T | B | -0.9862 | |
| 435 | R | B | -0.7635 | |
| 436 | C | B | 0.0000 | |
| 437 | C | B | 0.0000 | |
| 438 | T | B | -1.1030 | |
| 439 | K | B | -1.7368 | |
| 440 | P | B | -1.8778 | |
| 441 | E | B | -2.7804 | |
| 442 | S | B | -2.0699 | |
| 443 | E | B | -2.2062 | |
| 444 | R | B | -1.8955 | |
| 445 | M | B | 0.0000 | |
| 446 | P | B | -0.7026 | |
| 447 | C | B | -0.6704 | |
| 448 | T | B | 0.0000 | |
| 449 | E | B | 0.0000 | |
| 450 | D | B | -0.2535 | |
| 451 | Y | B | -0.1221 | |
| 452 | L | B | 0.0928 | |
| 453 | S | B | -0.0645 | |
| 454 | L | B | 0.0000 | |
| 455 | I | B | 0.0000 | |
| 456 | L | B | 0.0000 | |
| 457 | N | B | 0.0000 | |
| 458 | R | B | -0.5040 | |
| 459 | L | B | 0.0000 | |
| 460 | C | B | 0.0000 | |
| 461 | V | B | -1.0470 | |
| 462 | L | B | -1.0946 | |
| 463 | H | B | 0.0000 | |
| 464 | E | B | -2.4006 | |
| 465 | K | B | -2.4555 | |
| 466 | T | B | -1.1327 | |
| 467 | P | B | -1.0085 | |
| 468 | V | B | 0.2478 | |
| 469 | S | B | 0.0000 | |
| 470 | E | B | -2.1367 | |
| 471 | K | B | -1.5590 | |
| 472 | V | B | 0.0000 | |
| 473 | T | B | -1.9378 | |
| 474 | K | B | -2.3572 | |
| 475 | C | B | 0.0000 | |
| 476 | C | B | 0.0000 | |
| 477 | T | B | -1.5138 | |
| 478 | E | B | -2.0683 | |
| 479 | S | B | -1.0512 | |
| 480 | L | B | -0.2183 | |
| 481 | V | B | -0.1291 | |
| 482 | N | B | -0.4648 | |
| 483 | R | B | 0.0000 | |
| 484 | R | B | 0.0000 | |
| 485 | P | B | -0.2089 | |
| 486 | C | B | -0.3547 | |
| 487 | F | B | 0.0000 | |
| 488 | S | B | -0.0450 | |
| 489 | A | B | 0.0807 | |
| 490 | L | B | -0.0744 | |
| 491 | T | B | -0.6898 | |
| 492 | P | B | -1.4367 | |
| 493 | D | B | -1.6371 | |
| 494 | E | B | -2.2720 | |
| 495 | T | B | -0.7217 | |
| 496 | Y | B | 0.0297 | |
| 497 | V | B | 1.1225 | |
| 498 | P | B | 0.1442 | |
| 499 | K | B | -0.5272 | |
| 500 | A | B | -0.2149 | |
| 501 | F | B | -0.4209 | |
| 502 | D | B | -1.8189 | |
| 503 | E | B | -2.5597 | |
| 504 | K | B | -2.3650 | |
| 505 | L | B | -0.8111 | |
| 506 | F | B | -0.6877 | |
| 507 | T | B | -0.9182 | |
| 508 | F | B | -0.9563 | |
| 509 | H | B | -1.6675 | |
| 510 | A | B | -1.9605 | |
| 511 | D | B | -2.0626 | |
| 512 | I | B | 0.0000 | |
| 513 | C | B | 0.0000 | |
| 514 | T | B | -1.1643 | |
| 515 | L | B | -0.8829 | |
| 516 | P | B | -1.4179 | |
| 517 | D | B | -1.9533 | |
| 518 | T | B | -1.2504 | |
| 519 | E | B | -1.7108 | |
| 520 | K | B | -1.5881 | |
| 521 | Q | B | -1.0119 | |
| 522 | I | B | -0.7821 | |
| 523 | K | B | -1.0515 | |
| 524 | K | B | -0.6539 | |
| 525 | Q | B | 0.0000 | |
| 526 | T | B | -0.4044 | |
| 527 | A | B | 0.0000 | |
| 528 | L | B | 0.0000 | |
| 529 | V | B | 0.0000 | |
| 530 | E | B | -0.2831 | |
| 531 | L | B | 0.0000 | |
| 532 | L | B | 0.0000 | |
| 533 | K | B | 0.0000 | |
| 534 | H | B | -0.5834 | |
| 535 | K | B | -0.9034 | |
| 536 | P | B | -1.3290 | |
| 537 | K | B | -2.3388 | |
| 538 | A | B | 0.0000 | |
| 539 | T | B | -2.3104 | |
| 540 | E | B | -3.4930 | |
| 541 | E | B | -3.4784 | |
| 542 | Q | B | -2.3720 | |
| 543 | L | B | 0.0000 | |
| 544 | K | B | -3.5542 | |
| 545 | T | B | -2.5839 | |
| 546 | V | B | 0.0000 | |
| 547 | M | B | -1.5242 | |
| 548 | E | B | -2.1775 | |
| 549 | N | B | -1.6132 | |
| 550 | F | B | 0.0000 | |
| 551 | V | B | 0.2255 | |
| 552 | A | B | -0.5317 | |
| 553 | F | B | 0.0000 | |
| 554 | V | B | -0.2355 | |
| 555 | D | B | -0.8846 | |
| 556 | K | B | -1.2977 | |
| 557 | C | B | 0.0000 | |
| 558 | C | B | -1.5593 | |
| 559 | A | B | -1.2694 | |
| 560 | A | B | -2.2009 | |
| 561 | D | B | -2.7899 | |
| 562 | D | B | -3.2213 | |
| 563 | K | B | -2.6368 | |
| 564 | E | B | -2.7424 | |
| 565 | A | B | -1.3918 | |
| 566 | C | B | -1.1257 | |
| 567 | F | B | 0.0000 | |
| 568 | A | B | -0.0433 | |
| 569 | V | B | 0.9177 | |
| 570 | E | B | -0.1261 | |
| 571 | G | B | -0.0851 | |
| 572 | P | B | -0.3637 | |
| 573 | K | B | -0.9894 | |
| 574 | L | B | 0.0000 | |
| 575 | V | B | 0.0477 | |
| 576 | V | B | 0.9126 | |
| 577 | S | B | 0.0053 | |
| 578 | T | B | 0.0000 | |
| 579 | Q | B | -0.0879 | |
| 580 | T | B | 0.1429 | |
| 581 | A | B | 0.0236 | |
| 582 | L | B | 0.0000 | |
| 583 | A | B | -0.3411 |
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 | -0.8555 | 2.758 | View | CSV | PDB |
| 4.5 | -0.9725 | 2.7085 | View | CSV | PDB |
| 5.0 | -1.1173 | 2.6505 | View | CSV | PDB |
| 5.5 | -1.2627 | 2.5892 | View | CSV | PDB |
| 6.0 | -1.3807 | 2.5274 | View | CSV | PDB |
| 6.5 | -1.451 | 2.4668 | View | CSV | PDB |
| 7.0 | -1.4721 | 2.4085 | View | CSV | PDB |
| 7.5 | -1.4589 | 2.3524 | View | CSV | PDB |
| 8.0 | -1.4265 | 2.2992 | View | CSV | PDB |
| 8.5 | -1.3802 | 2.2521 | View | CSV | PDB |
| 9.0 | -1.3182 | 2.217 | 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