| Chain sequence(s) |
A: HKSEIAHRFKDLGEEHFKGLVLIAFSQYLQQCPFDEHVKLVNELTEFAKTCVADESHAGCEKSLHTLFGDELCKVASLRETYGDMADCCEKQEPERNECFLSHKDDSPDLPKLKPDPNTLCDEFKADEKKFWGKYLYEIARRHPYFYAPELLYYANKYNGVFQECCQAEDKGACLLPKIETMREKVLTSSARQRLRCASIQKFGERALKAWSVARLSQKFPKAEFVEVTKLVTDLTKVHKECCHGDLLECADDRADLAKYICDNQDTISSKLKECCDKPLLEKSHCIAEVEKDAIPENLPPLTADFAEDKDVCKNYQEAKDAFLGSFLYEYSRRHPEYAVSVLLRLAKEYEATLEECCAKDDPHACYSTVFDKLKHLVDEPQNLIKQNCDQFEKLGEYGFQNALIVRYTRKVPQVSTPTLVEVSRSLGKVGTRCCTKPESERMPCTEDYLSLILNRLCVLHEKTPVSEKVTKCCTESLVNRRPCFSALTPDETYVPKAFDEKLFTFHADICTLPDTEKQIKKQTALVELLKHKPKATEEQLKTVMENFVAFVDKCCAADDKEACFAVEGPKLVVSTQTALA
B: HKSEIAHRFKDLGEEHFKGLVLIAFSQYLQQCPFDEHVKLVNELTEFAKTCVADESHAGCEKSLHTLFGDELCKVASLRETYGDMADCCEKQEPERNECFLSHKDDSPDLPKLKPDPNTLCDEFKADEKKFWGKYLYEIARRHPYFYAPELLYYANKYNGVFQECCQAEDKGACLLPKIETMREKVLTSSARQRLRCASIQKFGERALKAWSVARLSQKFPKAEFVEVTKLVTDLTKVHKECCHGDLLECADDRADLAKYICDNQDTISSKLKECCDKPLLEKSHCIAEVEKDAIPENLPPLTADFAEDKDVCKNYQEAKDAFLGSFLYEYSRRHPEYAVSVLLRLAKEYEATLEECCAKDDPHACYSTVFDKLKHLVDEPQNLIKQNCDQFEKLGEYGFQNALIVRYTRKVPQVSTPTLVEVSRSLGKVGTRCCTKPESERMPCTEDYLSLILNRLCVLHEKTPVSEKVTKCCTESLVNRRPCFSALTPDETYVPKAFDEKLFTFHADICTLPDTEKQIKKQTALVELLKHKPKATEEQLKTVMENFVAFVDKCCDDKEACFAVEGPKLVVSTQTALA 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] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:32:17)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/4ed0c402d1caaf8/tmp/folded.pdb (00:32:17)
[INFO] Main: Simulation completed successfully. (00:38:42)
|
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 |
|---|---|---|---|---|
| 3 | H | A | -2.2370 | |
| 4 | K | A | -2.9602 | |
| 5 | S | A | 0.0000 | |
| 6 | E | A | -1.9522 | |
| 7 | I | A | 0.0000 | |
| 8 | A | A | 0.0000 | |
| 9 | H | A | -1.9719 | |
| 10 | R | A | 0.0000 | |
| 11 | F | A | -2.1703 | |
| 12 | K | A | -2.9323 | |
| 13 | D | A | -3.1388 | |
| 14 | L | A | -2.1276 | |
| 15 | G | A | -2.4534 | |
| 16 | E | A | -3.3286 | |
| 17 | E | A | -2.7102 | |
| 18 | H | A | -1.7474 | |
| 19 | F | A | 0.0000 | |
| 20 | K | A | -1.8287 | |
| 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 | 0.0000 | |
| 31 | L | A | 0.0000 | |
| 32 | Q | A | 0.0000 | |
| 33 | Q | A | -1.3610 | |
| 34 | C | A | 0.0000 | |
| 35 | P | A | -1.1686 | |
| 36 | F | A | -1.6803 | |
| 37 | D | A | -2.4928 | |
| 38 | E | A | -2.0335 | |
| 39 | H | A | 0.0000 | |
| 40 | V | A | -2.0267 | |
| 41 | K | A | -2.7730 | |
| 42 | L | A | -1.8061 | |
| 43 | V | A | 0.0000 | |
| 44 | N | A | -2.5517 | |
| 45 | E | A | -3.0462 | |
| 46 | L | A | 0.0000 | |
| 47 | T | A | 0.0000 | |
| 48 | E | A | -2.8519 | |
| 49 | F | A | -1.4913 | |
| 50 | A | A | 0.0000 | |
| 51 | K | A | -2.2077 | |
| 52 | T | A | -1.4739 | |
| 53 | C | A | 0.0000 | |
| 54 | V | A | -1.0703 | |
| 55 | A | A | -1.1011 | |
| 56 | D | A | -2.2556 | |
| 57 | E | A | -2.5071 | |
| 58 | S | A | -1.8121 | |
| 59 | H | A | -1.5035 | |
| 60 | A | A | -1.0109 | |
| 61 | G | A | -1.0884 | |
| 62 | C | A | 0.0000 | |
| 63 | E | A | -2.9274 | |
| 64 | K | A | -2.1650 | |
| 65 | S | A | -1.1740 | |
| 66 | L | A | 0.0000 | |
| 67 | H | A | -0.7748 | |
| 68 | T | A | -1.2154 | |
| 69 | L | A | -0.8458 | |
| 70 | F | A | -0.4763 | |
| 71 | G | A | 0.0000 | |
| 72 | D | A | -1.7939 | |
| 73 | E | A | -1.6816 | |
| 74 | L | A | 0.0000 | |
| 75 | C | A | -1.7154 | |
| 76 | K | A | -1.9791 | |
| 77 | V | A | -1.1424 | |
| 78 | A | A | -0.9040 | |
| 79 | S | A | -1.3857 | |
| 80 | L | A | 0.0000 | |
| 81 | R | A | -3.4246 | |
| 82 | E | A | -2.9677 | |
| 83 | T | A | -1.9534 | |
| 84 | Y | A | -1.9668 | |
| 85 | G | A | -2.5871 | |
| 86 | D | A | -3.0981 | |
| 87 | M | A | 0.0000 | |
| 88 | A | A | -2.7113 | |
| 89 | D | A | -3.3559 | |
| 90 | C | A | 0.0000 | |
| 91 | C | A | -2.5200 | |
| 92 | E | A | -3.0925 | |
| 93 | K | A | -3.2636 | |
| 94 | Q | A | -2.5550 | |
| 95 | E | A | -1.9873 | |
| 96 | P | A | -1.8810 | |
| 97 | E | A | -2.6145 | |
| 98 | R | A | 0.0000 | |
| 99 | N | A | 0.0000 | |
| 100 | E | A | -2.4810 | |
| 101 | C | A | -1.9107 | |
| 102 | F | A | 0.0000 | |
| 103 | L | A | -0.9684 | |
| 104 | S | A | -0.9081 | |
| 105 | H | A | -1.2562 | |
| 106 | K | A | 0.0000 | |
| 107 | D | A | -2.0947 | |
| 108 | D | A | -1.4783 | |
| 109 | S | A | -1.1661 | |
| 110 | P | A | -1.6517 | |
| 111 | D | A | -2.2144 | |
| 112 | L | A | -1.3450 | |
| 113 | P | A | -1.5240 | |
| 114 | K | A | -2.2838 | |
| 115 | L | A | -1.4617 | |
| 116 | K | A | -2.2412 | |
| 117 | P | A | -1.7008 | |
| 118 | D | A | -1.6642 | |
| 119 | P | A | -1.9228 | |
| 120 | N | A | -2.3253 | |
| 121 | T | A | -1.8576 | |
| 122 | L | A | -1.7727 | |
| 123 | C | A | 0.0000 | |
| 124 | D | A | -3.5480 | |
| 125 | E | A | -3.5825 | |
| 126 | F | A | 0.0000 | |
| 127 | K | A | -3.4940 | |
| 128 | A | A | -3.2300 | |
| 129 | D | A | -3.9873 | |
| 130 | E | A | -4.4276 | |
| 131 | K | A | -3.7114 | |
| 132 | K | A | -3.5840 | |
| 133 | F | A | 0.0000 | |
| 134 | W | A | 0.0000 | |
| 135 | G | A | 0.0000 | |
| 136 | K | A | -1.8663 | |
| 137 | Y | A | 0.0000 | |
| 138 | L | A | 0.0000 | |
| 139 | Y | A | 0.0000 | |
| 140 | E | A | -0.5002 | |
| 141 | I | A | 0.0000 | |
| 142 | A | A | 0.0000 | |
| 143 | R | A | -0.7977 | |
| 144 | R | A | -1.2463 | |
| 145 | H | A | -0.4578 | |
| 146 | P | A | 0.0000 | |
| 147 | Y | A | -0.3192 | |
| 148 | F | A | 0.0000 | |
| 149 | Y | A | 0.0000 | |
| 150 | A | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | E | A | 0.0000 | |
| 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 | -1.1928 | |
| 159 | K | A | -1.7195 | |
| 160 | Y | A | 0.0000 | |
| 161 | N | A | 0.0000 | |
| 162 | G | A | -1.5323 | |
| 163 | V | A | -1.3161 | |
| 164 | F | A | 0.0000 | |
| 165 | Q | A | -2.7654 | |
| 166 | E | A | -2.6766 | |
| 167 | C | A | 0.0000 | |
| 168 | C | A | -2.6557 | |
| 169 | Q | A | -2.5922 | |
| 170 | A | A | -2.5627 | |
| 171 | E | A | -3.0824 | |
| 172 | D | A | -3.0833 | |
| 173 | K | A | -2.5283 | |
| 174 | G | A | -1.4443 | |
| 175 | A | A | -0.9242 | |
| 176 | C | A | -1.1598 | |
| 177 | L | A | 0.0000 | |
| 178 | L | A | -0.6471 | |
| 179 | P | A | -1.0761 | |
| 180 | K | A | -1.4908 | |
| 181 | I | A | 0.0000 | |
| 182 | E | A | -2.7912 | |
| 183 | T | A | -2.1906 | |
| 184 | M | A | 0.0000 | |
| 185 | R | A | -2.1031 | |
| 186 | E | A | -2.5259 | |
| 187 | K | A | -2.4314 | |
| 188 | V | A | 0.0000 | |
| 189 | L | A | -0.0815 | |
| 190 | T | A | -0.6075 | |
| 191 | S | A | -0.5953 | |
| 192 | S | A | -0.3078 | |
| 193 | A | A | -0.1784 | |
| 194 | R | A | -0.5399 | |
| 195 | Q | A | 0.0000 | |
| 196 | R | A | -0.5719 | |
| 197 | L | A | 0.0000 | |
| 198 | R | A | -0.6850 | |
| 199 | C | A | 0.0000 | |
| 200 | A | A | -0.7430 | |
| 201 | S | A | 0.0000 | |
| 202 | I | A | -1.5912 | |
| 203 | Q | A | -1.8334 | |
| 204 | K | A | -1.5430 | |
| 205 | F | A | -1.2147 | |
| 206 | G | A | -1.6397 | |
| 207 | E | A | -2.4865 | |
| 208 | R | A | -2.7508 | |
| 209 | A | A | -1.6069 | |
| 210 | L | A | 0.0000 | |
| 211 | K | A | -2.1583 | |
| 212 | A | A | -1.2572 | |
| 213 | W | A | -0.6085 | |
| 214 | S | A | 0.0000 | |
| 215 | V | A | 0.0000 | |
| 216 | A | A | 0.0000 | |
| 217 | R | A | -0.4358 | |
| 218 | L | A | 0.0000 | |
| 219 | S | A | 0.0000 | |
| 220 | Q | A | 0.0000 | |
| 221 | K | A | -1.5318 | |
| 222 | F | A | 0.0000 | |
| 223 | P | A | 0.0000 | |
| 224 | K | A | -1.6027 | |
| 225 | A | A | 0.0000 | |
| 226 | E | A | -1.1705 | |
| 227 | F | A | 0.0325 | |
| 228 | V | A | 1.0194 | |
| 229 | E | A | -0.1924 | |
| 230 | V | A | 0.0000 | |
| 231 | T | A | -0.4534 | |
| 232 | K | A | -0.9527 | |
| 233 | L | A | 0.0000 | |
| 234 | V | A | 0.0000 | |
| 235 | T | A | -1.4141 | |
| 236 | D | A | -1.7138 | |
| 237 | L | A | 0.0000 | |
| 238 | T | A | 0.0000 | |
| 239 | K | A | -2.1909 | |
| 240 | V | A | 0.0000 | |
| 241 | H | A | 0.0000 | |
| 242 | K | A | -1.5272 | |
| 243 | E | A | -1.2889 | |
| 244 | C | A | 0.0000 | |
| 245 | C | A | 0.0000 | |
| 246 | H | A | -1.1942 | |
| 247 | G | A | -0.6828 | |
| 248 | D | A | 0.0000 | |
| 249 | L | A | 0.0000 | |
| 250 | L | A | 0.0000 | |
| 251 | E | A | -1.2149 | |
| 252 | C | A | 0.0000 | |
| 253 | A | A | 0.0000 | |
| 254 | D | A | -1.3947 | |
| 255 | D | A | -1.7945 | |
| 256 | R | A | 0.0000 | |
| 257 | A | A | -1.4372 | |
| 258 | D | A | -2.7225 | |
| 259 | L | A | 0.0000 | |
| 260 | A | A | 0.0000 | |
| 261 | K | A | -2.5504 | |
| 262 | Y | A | -1.7172 | |
| 263 | I | A | 0.0000 | |
| 264 | C | A | -2.2397 | |
| 265 | D | A | -2.6132 | |
| 266 | N | A | -2.0669 | |
| 267 | Q | A | -2.3363 | |
| 268 | D | A | -2.6989 | |
| 269 | T | A | -1.7680 | |
| 270 | I | A | 0.0000 | |
| 271 | S | A | 0.0000 | |
| 272 | S | A | -1.7970 | |
| 273 | K | A | -2.6212 | |
| 274 | L | A | 0.0000 | |
| 275 | K | A | -3.5385 | |
| 276 | E | A | -3.5148 | |
| 277 | C | A | 0.0000 | |
| 278 | C | A | -2.7845 | |
| 279 | D | A | -3.1184 | |
| 280 | K | A | -2.3018 | |
| 281 | P | A | -0.6375 | |
| 282 | L | A | 0.2886 | |
| 283 | L | A | 0.0882 | |
| 284 | E | A | -0.9558 | |
| 285 | K | A | -1.2375 | |
| 286 | S | A | -0.6209 | |
| 287 | H | A | -0.7143 | |
| 288 | C | A | -1.3706 | |
| 289 | I | A | 0.0000 | |
| 290 | A | A | -1.2255 | |
| 291 | E | A | -2.3970 | |
| 292 | V | A | 0.0000 | |
| 293 | E | A | -3.0256 | |
| 294 | K | A | -2.5021 | |
| 295 | D | A | 0.0000 | |
| 296 | A | A | -0.7069 | |
| 297 | I | A | -0.3669 | |
| 298 | P | A | -1.1239 | |
| 299 | E | A | -2.2598 | |
| 300 | N | A | -1.9740 | |
| 301 | L | A | -0.8382 | |
| 302 | P | A | -0.7279 | |
| 303 | P | A | -0.7259 | |
| 304 | L | A | -0.7743 | |
| 305 | T | A | -1.2719 | |
| 306 | A | A | -1.9888 | |
| 307 | D | A | -2.9419 | |
| 308 | F | A | 0.0000 | |
| 309 | A | A | 0.0000 | |
| 310 | E | A | -3.3215 | |
| 311 | D | A | -3.6159 | |
| 312 | K | A | -3.8418 | |
| 313 | D | A | -3.6517 | |
| 314 | V | A | 0.0000 | |
| 315 | C | A | -2.8447 | |
| 316 | K | A | -3.8624 | |
| 317 | N | A | -3.6952 | |
| 318 | Y | A | 0.0000 | |
| 319 | Q | A | -3.7402 | |
| 320 | E | A | -3.7306 | |
| 321 | A | A | -2.7420 | |
| 322 | K | A | -3.3896 | |
| 323 | D | A | -2.8644 | |
| 324 | A | A | -1.3884 | |
| 325 | F | A | -1.4051 | |
| 326 | L | A | -0.9481 | |
| 327 | G | A | -0.7329 | |
| 328 | S | A | -0.1354 | |
| 329 | F | A | 0.0000 | |
| 330 | L | A | 0.0000 | |
| 331 | Y | A | 0.0000 | |
| 332 | E | A | -0.7160 | |
| 333 | Y | A | 0.0000 | |
| 334 | S | A | 0.0000 | |
| 335 | R | A | -0.8421 | |
| 336 | R | A | -0.5573 | |
| 337 | H | A | -0.9178 | |
| 338 | P | A | -1.2482 | |
| 339 | E | A | -2.2357 | |
| 340 | Y | A | -1.0063 | |
| 341 | A | A | 0.0000 | |
| 342 | V | A | -0.0997 | |
| 343 | S | A | 0.0000 | |
| 344 | V | A | 0.0000 | |
| 345 | L | A | 0.0000 | |
| 346 | L | A | 0.0000 | |
| 347 | R | A | 0.0000 | |
| 348 | L | A | 0.0000 | |
| 349 | A | A | 0.0000 | |
| 350 | K | A | -1.5830 | |
| 351 | E | A | -1.6262 | |
| 352 | Y | A | 0.0000 | |
| 353 | E | A | -1.9644 | |
| 354 | A | A | -1.7604 | |
| 355 | T | A | 0.0000 | |
| 356 | L | A | 0.0000 | |
| 357 | E | A | -3.2042 | |
| 358 | E | A | -2.9583 | |
| 359 | C | A | 0.0000 | |
| 360 | C | A | -2.3206 | |
| 361 | A | A | -2.1909 | |
| 362 | K | A | -3.5263 | |
| 363 | D | A | -3.4146 | |
| 364 | D | A | -3.1393 | |
| 365 | P | A | -2.3960 | |
| 366 | H | A | -2.1355 | |
| 367 | A | A | -1.2537 | |
| 368 | C | A | -0.8818 | |
| 369 | Y | A | 0.0000 | |
| 370 | S | A | -1.1507 | |
| 371 | T | A | -1.0450 | |
| 372 | V | A | 0.0000 | |
| 373 | F | A | -1.6512 | |
| 374 | D | A | -3.0968 | |
| 375 | K | A | -2.9542 | |
| 376 | L | A | 0.0000 | |
| 377 | K | A | -3.5951 | |
| 378 | H | A | -3.3634 | |
| 379 | L | A | -2.3108 | |
| 380 | V | A | -2.2319 | |
| 381 | D | A | -3.4977 | |
| 382 | E | A | -3.2306 | |
| 383 | P | A | 0.0000 | |
| 384 | Q | A | -2.6003 | |
| 385 | N | A | -2.9642 | |
| 386 | L | A | -2.0075 | |
| 387 | I | A | 0.0000 | |
| 388 | K | A | -3.4932 | |
| 389 | Q | A | -3.1953 | |
| 390 | N | A | -2.4703 | |
| 391 | C | A | 0.0000 | |
| 392 | D | A | -3.7421 | |
| 393 | Q | A | -2.6380 | |
| 394 | F | A | -2.2876 | |
| 395 | E | A | -3.2968 | |
| 396 | K | A | -2.8042 | |
| 397 | L | A | -0.9326 | |
| 398 | G | A | -1.1674 | |
| 399 | E | A | -0.8974 | |
| 400 | Y | A | -0.0146 | |
| 401 | G | A | -0.1269 | |
| 402 | F | A | 0.0000 | |
| 403 | Q | A | 0.0000 | |
| 404 | N | A | -0.2398 | |
| 405 | A | A | -0.3208 | |
| 406 | L | A | 0.0000 | |
| 407 | I | A | 0.0000 | |
| 408 | V | A | 0.0000 | |
| 409 | R | A | -0.7026 | |
| 410 | Y | A | -0.3270 | |
| 411 | T | A | 0.0000 | |
| 412 | R | A | -1.4016 | |
| 413 | K | A | 0.0000 | |
| 414 | V | A | 0.0000 | |
| 415 | P | A | 0.0000 | |
| 416 | Q | A | -1.2867 | |
| 417 | V | A | 0.0000 | |
| 418 | S | A | -0.4341 | |
| 419 | T | A | 0.0000 | |
| 420 | P | A | -0.4704 | |
| 421 | T | A | -0.5536 | |
| 422 | L | A | 0.0000 | |
| 423 | V | A | 0.0000 | |
| 424 | E | A | -1.1092 | |
| 425 | V | A | 0.0000 | |
| 426 | S | A | 0.0000 | |
| 427 | R | A | -0.7137 | |
| 428 | S | A | -0.6118 | |
| 429 | L | A | 0.0000 | |
| 430 | G | A | 0.0000 | |
| 431 | K | A | -0.8878 | |
| 432 | V | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | T | A | -1.0197 | |
| 435 | R | A | -1.0282 | |
| 436 | C | A | 0.0000 | |
| 437 | C | A | 0.0000 | |
| 438 | T | A | -1.3991 | |
| 439 | K | A | -2.0378 | |
| 440 | P | A | -2.1828 | |
| 441 | E | A | -3.0788 | |
| 442 | S | A | -2.5070 | |
| 443 | E | A | -3.0847 | |
| 444 | R | A | -2.4243 | |
| 445 | M | A | 0.0000 | |
| 446 | P | A | -0.9823 | |
| 447 | C | A | -0.8620 | |
| 448 | T | A | 0.0000 | |
| 449 | E | A | 0.0000 | |
| 450 | D | A | -0.1603 | |
| 451 | Y | A | -0.0647 | |
| 452 | L | A | 0.1443 | |
| 453 | S | A | -0.1312 | |
| 454 | L | A | 0.0000 | |
| 455 | I | A | 0.0000 | |
| 456 | L | A | 0.0000 | |
| 457 | N | A | 0.0000 | |
| 458 | R | A | -0.6749 | |
| 459 | L | A | 0.0000 | |
| 460 | C | A | 0.0000 | |
| 461 | V | A | -0.7541 | |
| 462 | L | A | -0.9467 | |
| 463 | H | A | 0.0000 | |
| 464 | E | A | -1.9971 | |
| 465 | K | A | -2.3981 | |
| 466 | T | A | -1.1659 | |
| 467 | P | A | -1.3006 | |
| 468 | V | A | -0.6936 | |
| 469 | S | A | 0.0000 | |
| 470 | E | A | -2.4845 | |
| 471 | K | A | -1.7831 | |
| 472 | V | A | 0.0000 | |
| 473 | T | A | -2.0949 | |
| 474 | K | A | -2.8644 | |
| 475 | C | A | 0.0000 | |
| 476 | C | A | 0.0000 | |
| 477 | T | A | -1.7453 | |
| 478 | E | A | -2.3984 | |
| 479 | S | A | -1.4618 | |
| 480 | L | A | -0.5041 | |
| 481 | V | A | 0.0000 | |
| 482 | N | A | -1.1216 | |
| 483 | R | A | 0.0000 | |
| 484 | R | A | 0.0000 | |
| 485 | P | A | -0.3667 | |
| 486 | C | A | -0.5522 | |
| 487 | F | A | 0.0000 | |
| 488 | S | A | -0.0149 | |
| 489 | A | A | 0.1554 | |
| 490 | L | A | -0.0801 | |
| 491 | T | A | -0.6563 | |
| 492 | P | A | -1.5176 | |
| 493 | D | A | -1.7717 | |
| 494 | E | A | -2.2608 | |
| 495 | T | A | -0.7631 | |
| 496 | Y | A | -0.2049 | |
| 497 | V | A | 1.0694 | |
| 498 | P | A | -0.1576 | |
| 499 | K | A | -0.5436 | |
| 500 | A | A | -0.2524 | |
| 501 | F | A | -0.6767 | |
| 502 | D | A | -1.6431 | |
| 503 | E | A | -2.6367 | |
| 504 | K | A | -2.4917 | |
| 505 | L | A | -1.2159 | |
| 506 | F | A | 0.0000 | |
| 507 | T | A | -1.1730 | |
| 508 | F | A | -0.9781 | |
| 509 | H | A | -1.8493 | |
| 510 | A | A | -2.0579 | |
| 511 | D | A | -2.3237 | |
| 512 | I | A | 0.0000 | |
| 513 | C | A | -0.8937 | |
| 514 | T | A | -1.1715 | |
| 515 | L | A | -1.0179 | |
| 516 | P | A | -1.3718 | |
| 517 | D | A | -2.1306 | |
| 518 | T | A | -1.3851 | |
| 519 | E | A | -1.7076 | |
| 520 | K | A | -1.6260 | |
| 521 | Q | A | -1.2009 | |
| 522 | I | A | -0.9110 | |
| 523 | K | A | -1.1668 | |
| 524 | K | A | -0.5647 | |
| 525 | Q | A | 0.0000 | |
| 526 | T | A | -0.4127 | |
| 527 | A | A | 0.0000 | |
| 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 | -0.6001 | |
| 535 | K | A | -1.1867 | |
| 536 | P | A | -1.4147 | |
| 537 | K | A | -2.3851 | |
| 538 | A | A | 0.0000 | |
| 539 | T | A | -2.3564 | |
| 540 | E | A | -3.4556 | |
| 541 | E | A | -3.4802 | |
| 542 | Q | A | -2.5519 | |
| 543 | L | A | 0.0000 | |
| 544 | K | A | -3.4980 | |
| 545 | T | A | -2.3653 | |
| 546 | V | A | 0.0000 | |
| 547 | M | A | -1.3816 | |
| 548 | E | A | -2.2966 | |
| 549 | N | A | -1.9355 | |
| 550 | F | A | 0.0000 | |
| 551 | V | A | -0.3873 | |
| 552 | A | A | -1.2172 | |
| 553 | F | A | 0.0000 | |
| 554 | V | A | -1.2066 | |
| 555 | D | A | -2.2726 | |
| 556 | K | A | -2.4311 | |
| 557 | C | A | 0.0000 | |
| 558 | C | A | -1.8444 | |
| 559 | A | A | -1.8681 | |
| 560 | A | A | -2.4721 | |
| 561 | D | A | -2.9720 | |
| 562 | D | A | -3.4045 | |
| 563 | K | A | -3.3009 | |
| 564 | E | A | -2.9773 | |
| 565 | A | A | -1.4947 | |
| 566 | C | A | -1.3302 | |
| 567 | F | A | 0.0000 | |
| 568 | A | A | -0.0902 | |
| 569 | V | A | 0.9032 | |
| 570 | E | A | -0.4678 | |
| 571 | G | A | -0.2429 | |
| 572 | P | A | -0.4276 | |
| 573 | K | A | -1.0063 | |
| 574 | L | A | 0.0000 | |
| 575 | V | A | -0.2076 | |
| 576 | V | A | 0.9288 | |
| 577 | S | A | -0.0783 | |
| 578 | T | A | -0.2617 | |
| 579 | Q | A | -0.1427 | |
| 580 | T | A | 0.0289 | |
| 581 | A | A | -0.0748 | |
| 582 | L | A | 0.0000 | |
| 583 | A | A | -0.2034 | |
| 3 | H | B | -2.2533 | |
| 4 | K | B | -3.0685 | |
| 5 | S | B | 0.0000 | |
| 6 | E | B | -1.9978 | |
| 7 | I | B | 0.0000 | |
| 8 | A | B | 0.0000 | |
| 9 | H | B | -2.1035 | |
| 10 | R | B | 0.0000 | |
| 11 | F | B | -2.2064 | |
| 12 | K | B | -2.9583 | |
| 13 | D | B | -3.1663 | |
| 14 | L | B | -2.1525 | |
| 15 | G | B | -2.5116 | |
| 16 | E | B | -3.3565 | |
| 17 | E | B | -2.7890 | |
| 18 | H | B | -1.8208 | |
| 19 | F | B | 0.0000 | |
| 20 | K | B | -1.7880 | |
| 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 | -1.3567 | |
| 34 | C | B | 0.0000 | |
| 35 | P | B | -1.2303 | |
| 36 | F | B | -1.6693 | |
| 37 | D | B | -2.5438 | |
| 38 | E | B | -2.2630 | |
| 39 | H | B | 0.0000 | |
| 40 | V | B | -1.9116 | |
| 41 | K | B | -2.7648 | |
| 42 | L | B | 0.0000 | |
| 43 | V | B | 0.0000 | |
| 44 | N | B | -2.3669 | |
| 45 | E | B | -2.8230 | |
| 46 | L | B | 0.0000 | |
| 47 | T | B | 0.0000 | |
| 48 | E | B | -2.6914 | |
| 49 | F | B | -1.3878 | |
| 50 | A | B | 0.0000 | |
| 51 | K | B | -2.1469 | |
| 52 | T | B | -1.4117 | |
| 53 | C | B | 0.0000 | |
| 54 | V | B | -1.2379 | |
| 55 | A | B | -0.9987 | |
| 56 | D | B | -2.1322 | |
| 57 | E | B | -3.1416 | |
| 58 | S | B | -2.0455 | |
| 59 | H | B | -1.5117 | |
| 60 | A | B | -1.0062 | |
| 61 | G | B | -1.1100 | |
| 62 | C | B | 0.0000 | |
| 63 | E | B | -2.9520 | |
| 64 | K | B | -1.9994 | |
| 65 | S | B | -1.1050 | |
| 66 | L | B | 0.0000 | |
| 67 | H | B | -0.8303 | |
| 68 | T | B | -1.3209 | |
| 69 | L | B | -0.9354 | |
| 70 | F | B | -0.5969 | |
| 71 | G | B | 0.0000 | |
| 72 | D | B | -2.1734 | |
| 73 | E | B | -1.8242 | |
| 74 | L | B | 0.0000 | |
| 75 | C | B | -1.8454 | |
| 76 | K | B | -2.1171 | |
| 77 | V | B | 0.0000 | |
| 78 | A | B | -1.0009 | |
| 79 | S | B | -1.4399 | |
| 80 | L | B | 0.0000 | |
| 81 | R | B | -3.4368 | |
| 82 | E | B | -2.9647 | |
| 83 | T | B | -1.9430 | |
| 84 | Y | B | -1.9583 | |
| 85 | G | B | -2.5683 | |
| 86 | D | B | -3.0840 | |
| 87 | M | B | 0.0000 | |
| 88 | A | B | -2.7256 | |
| 89 | D | B | -3.3979 | |
| 90 | C | B | 0.0000 | |
| 91 | C | B | -2.6776 | |
| 92 | E | B | -3.2159 | |
| 93 | K | B | -3.5670 | |
| 94 | Q | B | -2.7631 | |
| 95 | E | B | -2.1884 | |
| 96 | P | B | -2.0414 | |
| 97 | E | B | -2.8090 | |
| 98 | R | B | 0.0000 | |
| 99 | N | B | -1.8919 | |
| 100 | E | B | -2.5762 | |
| 101 | C | B | -2.0336 | |
| 102 | F | B | 0.0000 | |
| 103 | L | B | -0.9906 | |
| 104 | S | B | -0.9383 | |
| 105 | H | B | -1.2508 | |
| 106 | K | B | 0.0000 | |
| 107 | D | B | -2.0178 | |
| 108 | D | B | -1.4312 | |
| 109 | S | B | -1.2015 | |
| 110 | P | B | -1.6622 | |
| 111 | D | B | -2.2309 | |
| 112 | L | B | -1.3382 | |
| 113 | P | B | -1.4588 | |
| 114 | K | B | -2.1456 | |
| 115 | L | B | -1.1972 | |
| 116 | K | B | -2.0969 | |
| 117 | P | B | -1.5743 | |
| 118 | D | B | -1.5916 | |
| 119 | P | B | -1.8804 | |
| 120 | N | B | -2.3276 | |
| 121 | T | B | -1.8552 | |
| 122 | L | B | -1.7741 | |
| 123 | C | B | 0.0000 | |
| 124 | D | B | -3.4855 | |
| 125 | E | B | -3.4893 | |
| 126 | F | B | 0.0000 | |
| 127 | K | B | -3.3356 | |
| 128 | A | B | -3.0395 | |
| 129 | D | B | -3.5032 | |
| 130 | E | B | -4.1852 | |
| 131 | K | B | -3.6742 | |
| 132 | K | B | -3.5066 | |
| 133 | F | B | 0.0000 | |
| 134 | W | B | 0.0000 | |
| 135 | G | B | 0.0000 | |
| 136 | K | B | -1.8094 | |
| 137 | Y | B | 0.0000 | |
| 138 | L | B | 0.0000 | |
| 139 | Y | B | 0.0000 | |
| 140 | E | B | -0.4392 | |
| 141 | I | B | 0.0000 | |
| 142 | A | B | 0.0000 | |
| 143 | R | B | -0.8257 | |
| 144 | R | B | -1.2632 | |
| 145 | H | B | -0.4270 | |
| 146 | P | B | 0.0000 | |
| 147 | Y | B | -0.3139 | |
| 148 | F | B | 0.0000 | |
| 149 | Y | B | 0.0000 | |
| 150 | A | B | 0.0000 | |
| 151 | P | B | 0.0000 | |
| 152 | E | B | 0.0000 | |
| 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 | -1.5033 | |
| 159 | K | B | -1.8459 | |
| 160 | Y | B | -1.0517 | |
| 161 | N | B | 0.0000 | |
| 162 | G | B | -1.5937 | |
| 163 | V | B | -1.3114 | |
| 164 | F | B | 0.0000 | |
| 165 | Q | B | -2.7319 | |
| 166 | E | B | -2.6690 | |
| 167 | C | B | 0.0000 | |
| 168 | C | B | -2.6373 | |
| 169 | Q | B | -2.5743 | |
| 170 | A | B | -2.5617 | |
| 171 | E | B | -3.0921 | |
| 172 | D | B | -3.1020 | |
| 173 | K | B | -2.5474 | |
| 174 | G | B | -1.3947 | |
| 175 | A | B | -0.8995 | |
| 176 | C | B | -1.1344 | |
| 177 | L | B | 0.0000 | |
| 178 | L | B | -0.4861 | |
| 179 | P | B | -1.0599 | |
| 180 | K | B | -1.3951 | |
| 181 | I | B | 0.0000 | |
| 182 | E | B | -2.9215 | |
| 183 | T | B | -2.3731 | |
| 184 | M | B | 0.0000 | |
| 185 | R | B | -2.3075 | |
| 186 | E | B | -2.8566 | |
| 187 | K | B | -2.5565 | |
| 188 | V | B | 0.0000 | |
| 189 | L | B | 0.0722 | |
| 190 | T | B | -0.5953 | |
| 191 | S | B | -0.6281 | |
| 192 | S | B | -0.2936 | |
| 193 | A | B | -0.1958 | |
| 194 | R | B | -0.6986 | |
| 195 | Q | B | 0.0000 | |
| 196 | R | B | -0.6490 | |
| 197 | L | B | 0.0000 | |
| 198 | R | B | -0.8724 | |
| 199 | C | B | 0.0000 | |
| 200 | A | B | 0.0000 | |
| 201 | S | B | 0.0000 | |
| 202 | I | B | 0.0000 | |
| 203 | Q | B | -2.0866 | |
| 204 | K | B | -1.9728 | |
| 205 | F | B | -1.4665 | |
| 206 | G | B | -1.7562 | |
| 207 | E | B | -2.4239 | |
| 208 | R | B | -2.6696 | |
| 209 | A | B | -1.6452 | |
| 210 | L | B | 0.0000 | |
| 211 | K | B | -1.8899 | |
| 212 | A | B | -0.9524 | |
| 213 | W | B | -0.5554 | |
| 214 | S | B | 0.0000 | |
| 215 | V | B | 0.0000 | |
| 216 | A | B | 0.0000 | |
| 217 | R | B | -0.4881 | |
| 218 | L | B | 0.0000 | |
| 219 | S | B | 0.0000 | |
| 220 | Q | B | 0.0000 | |
| 221 | K | B | -1.5389 | |
| 222 | F | B | 0.0000 | |
| 223 | P | B | 0.0000 | |
| 224 | K | B | -2.4236 | |
| 225 | A | B | 0.0000 | |
| 226 | E | B | -1.6055 | |
| 227 | F | B | -0.2450 | |
| 228 | V | B | 0.8711 | |
| 229 | E | B | -0.3914 | |
| 230 | V | B | 0.0000 | |
| 231 | T | B | -0.5704 | |
| 232 | K | B | -1.1216 | |
| 233 | L | B | 0.0000 | |
| 234 | V | B | 0.0000 | |
| 235 | T | B | -1.2851 | |
| 236 | D | B | -1.6448 | |
| 237 | L | B | -0.9125 | |
| 238 | T | B | 0.0000 | |
| 239 | K | B | -1.4986 | |
| 240 | V | B | 0.0000 | |
| 241 | H | B | 0.0000 | |
| 242 | K | B | -1.3270 | |
| 243 | E | B | -0.9404 | |
| 244 | C | B | 0.0000 | |
| 245 | C | B | 0.0000 | |
| 246 | H | B | -1.0257 | |
| 247 | G | B | -0.5740 | |
| 248 | D | B | 0.0000 | |
| 249 | L | B | 0.0000 | |
| 250 | L | B | 0.0000 | |
| 251 | E | B | -0.9565 | |
| 252 | C | B | 0.0000 | |
| 253 | A | B | 0.0000 | |
| 254 | D | B | -1.3633 | |
| 255 | D | B | -1.8254 | |
| 256 | R | B | 0.0000 | |
| 257 | A | B | -1.4614 | |
| 258 | D | B | -2.6972 | |
| 259 | L | B | 0.0000 | |
| 260 | A | B | 0.0000 | |
| 261 | K | B | -2.6278 | |
| 262 | Y | B | -1.7289 | |
| 263 | I | B | 0.0000 | |
| 264 | C | B | -2.2559 | |
| 265 | D | B | -2.6494 | |
| 266 | N | B | -2.1548 | |
| 267 | Q | B | -2.3130 | |
| 268 | D | B | -2.7839 | |
| 269 | T | B | -2.0227 | |
| 270 | I | B | 0.0000 | |
| 271 | S | B | 0.0000 | |
| 272 | S | B | -1.7360 | |
| 273 | K | B | -2.2758 | |
| 274 | L | B | 0.0000 | |
| 275 | K | B | -3.4259 | |
| 276 | E | B | -3.4173 | |
| 277 | C | B | 0.0000 | |
| 278 | C | B | -2.7680 | |
| 279 | D | B | -3.1078 | |
| 280 | K | B | -2.2877 | |
| 281 | P | B | -0.8207 | |
| 282 | L | B | -0.0926 | |
| 283 | L | B | -0.2350 | |
| 284 | E | B | -1.3919 | |
| 285 | K | B | -1.4299 | |
| 286 | S | B | -0.7593 | |
| 287 | H | B | -0.8239 | |
| 288 | C | B | -1.4132 | |
| 289 | I | B | 0.0000 | |
| 290 | A | B | -1.1402 | |
| 291 | E | B | -2.3639 | |
| 292 | V | B | 0.0000 | |
| 293 | E | B | -2.8764 | |
| 294 | K | B | -2.3541 | |
| 295 | D | B | 0.0000 | |
| 296 | A | B | -0.6803 | |
| 297 | I | B | -0.3239 | |
| 298 | P | B | -1.2170 | |
| 299 | E | B | -2.2875 | |
| 300 | N | B | -1.9288 | |
| 301 | L | B | -0.8099 | |
| 302 | P | B | -0.9106 | |
| 303 | P | B | -0.7071 | |
| 304 | L | B | -0.7553 | |
| 305 | T | B | -1.2664 | |
| 306 | A | B | -1.9857 | |
| 307 | D | B | -2.9412 | |
| 308 | F | B | 0.0000 | |
| 309 | A | B | 0.0000 | |
| 310 | E | B | -3.3541 | |
| 311 | D | B | -3.6563 | |
| 312 | K | B | -3.8806 | |
| 313 | D | B | -3.6534 | |
| 314 | V | B | 0.0000 | |
| 315 | C | B | -2.9559 | |
| 316 | K | B | -3.9149 | |
| 317 | N | B | -3.7564 | |
| 318 | Y | B | 0.0000 | |
| 319 | Q | B | -3.8655 | |
| 320 | E | B | -3.8296 | |
| 321 | A | B | -2.9302 | |
| 322 | K | B | -3.8274 | |
| 323 | D | B | -3.0802 | |
| 324 | A | B | -1.4952 | |
| 325 | F | B | -1.5464 | |
| 326 | L | B | -1.0955 | |
| 327 | G | B | -0.7512 | |
| 328 | S | B | -0.1769 | |
| 329 | F | B | 0.0000 | |
| 330 | L | B | 0.0000 | |
| 331 | Y | B | 0.0000 | |
| 332 | E | B | -0.7298 | |
| 333 | Y | B | 0.0000 | |
| 334 | S | B | 0.0000 | |
| 335 | R | B | -0.8615 | |
| 336 | R | B | -0.4031 | |
| 337 | H | B | -0.7410 | |
| 338 | P | B | -1.2200 | |
| 339 | E | B | -2.0343 | |
| 340 | Y | B | -0.8868 | |
| 341 | A | B | 0.0000 | |
| 342 | V | B | -0.0776 | |
| 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 | 0.0000 | |
| 350 | K | B | -1.6191 | |
| 351 | E | B | -1.7382 | |
| 352 | Y | B | 0.0000 | |
| 353 | E | B | -2.3921 | |
| 354 | A | B | -1.9280 | |
| 355 | T | B | 0.0000 | |
| 356 | L | B | 0.0000 | |
| 357 | E | B | -3.3365 | |
| 358 | E | B | -2.9756 | |
| 359 | C | B | 0.0000 | |
| 360 | C | B | -2.3225 | |
| 361 | A | B | -2.0421 | |
| 362 | K | B | -3.1668 | |
| 363 | D | B | -3.2404 | |
| 364 | D | B | -3.0921 | |
| 365 | P | B | -2.3946 | |
| 366 | H | B | -2.2464 | |
| 367 | A | B | -1.1365 | |
| 368 | C | B | -0.9865 | |
| 369 | Y | B | 0.0000 | |
| 370 | S | B | -1.2228 | |
| 371 | T | B | -1.1218 | |
| 372 | V | B | 0.0000 | |
| 373 | F | B | -1.7150 | |
| 374 | D | B | -3.1878 | |
| 375 | K | B | -3.1206 | |
| 376 | L | B | 0.0000 | |
| 377 | K | B | -3.5650 | |
| 378 | H | B | -3.2025 | |
| 379 | L | B | -2.0549 | |
| 380 | V | B | -1.9993 | |
| 381 | D | B | -3.0997 | |
| 382 | E | B | -2.3606 | |
| 383 | P | B | 0.0000 | |
| 384 | Q | B | -2.3535 | |
| 385 | N | B | -2.8375 | |
| 386 | L | B | -2.0239 | |
| 387 | I | B | 0.0000 | |
| 388 | K | B | -3.5443 | |
| 389 | Q | B | -3.2388 | |
| 390 | N | B | -2.4530 | |
| 391 | C | B | 0.0000 | |
| 392 | D | B | -3.7656 | |
| 393 | Q | B | -2.6756 | |
| 394 | F | B | -2.3428 | |
| 395 | E | B | -3.3302 | |
| 396 | K | B | -2.8493 | |
| 397 | L | B | -1.0025 | |
| 398 | G | B | -1.2025 | |
| 399 | E | B | -0.9242 | |
| 400 | Y | B | 0.0029 | |
| 401 | G | B | -0.1484 | |
| 402 | F | B | 0.0000 | |
| 403 | Q | B | 0.0000 | |
| 404 | N | B | -0.2131 | |
| 405 | A | B | -0.2735 | |
| 406 | L | B | 0.0000 | |
| 407 | I | B | 0.0000 | |
| 408 | V | B | -0.3958 | |
| 409 | R | B | -0.5337 | |
| 410 | Y | B | -0.2158 | |
| 411 | T | B | 0.0000 | |
| 412 | R | B | -1.2138 | |
| 413 | K | B | 0.0000 | |
| 414 | V | B | 0.0000 | |
| 415 | P | B | 0.0000 | |
| 416 | Q | B | -1.4510 | |
| 417 | V | B | 0.0000 | |
| 418 | S | B | -0.4434 | |
| 419 | T | B | 0.0000 | |
| 420 | P | B | -0.5943 | |
| 421 | T | B | -0.5234 | |
| 422 | L | B | 0.0000 | |
| 423 | V | B | 0.0000 | |
| 424 | E | B | -1.0615 | |
| 425 | V | B | 0.0000 | |
| 426 | S | B | 0.0000 | |
| 427 | R | B | -0.7247 | |
| 428 | S | B | -0.6319 | |
| 429 | L | B | 0.0000 | |
| 430 | G | B | 0.0000 | |
| 431 | K | B | -0.8924 | |
| 432 | V | B | 0.0000 | |
| 433 | G | B | 0.0000 | |
| 434 | T | B | -0.9578 | |
| 435 | R | B | -0.8412 | |
| 436 | C | B | 0.0000 | |
| 437 | C | B | 0.0000 | |
| 438 | T | B | -1.4754 | |
| 439 | K | B | -2.2535 | |
| 440 | P | B | -2.3379 | |
| 441 | E | B | -3.1773 | |
| 442 | S | B | -2.6153 | |
| 443 | E | B | -3.2706 | |
| 444 | R | B | -2.7119 | |
| 445 | M | B | 0.0000 | |
| 446 | P | B | -1.0447 | |
| 447 | C | B | -0.9417 | |
| 448 | T | B | 0.0000 | |
| 449 | E | B | 0.0000 | |
| 450 | D | B | -0.3161 | |
| 451 | Y | B | -0.1697 | |
| 452 | L | B | 0.0549 | |
| 453 | S | B | -0.2274 | |
| 454 | L | B | 0.0000 | |
| 455 | I | B | 0.0000 | |
| 456 | L | B | 0.0000 | |
| 457 | N | B | 0.0000 | |
| 458 | R | B | -0.6451 | |
| 459 | L | B | 0.0000 | |
| 460 | C | B | 0.0000 | |
| 461 | V | B | -0.6231 | |
| 462 | L | B | -0.8081 | |
| 463 | H | B | 0.0000 | |
| 464 | E | B | -1.6900 | |
| 465 | K | B | -2.2297 | |
| 466 | T | B | -1.0822 | |
| 467 | P | B | -1.2179 | |
| 468 | V | B | -0.6435 | |
| 469 | S | B | 0.0000 | |
| 470 | E | B | -2.3728 | |
| 471 | K | B | -1.6610 | |
| 472 | V | B | 0.0000 | |
| 473 | T | B | -1.8454 | |
| 474 | K | B | -2.4673 | |
| 475 | C | B | 0.0000 | |
| 476 | C | B | 0.0000 | |
| 477 | T | B | -1.7686 | |
| 478 | E | B | -2.3118 | |
| 479 | S | B | -1.5167 | |
| 480 | L | B | 0.0000 | |
| 481 | V | B | 0.0000 | |
| 482 | N | B | -1.0533 | |
| 483 | R | B | 0.0000 | |
| 484 | R | B | 0.0000 | |
| 485 | P | B | -0.2432 | |
| 486 | C | B | -0.5110 | |
| 487 | F | B | 0.0000 | |
| 488 | S | B | -0.0655 | |
| 489 | A | B | 0.1143 | |
| 490 | L | B | -0.1229 | |
| 491 | T | B | -0.6526 | |
| 492 | P | B | -1.4744 | |
| 493 | D | B | -1.7107 | |
| 494 | E | B | -2.2414 | |
| 495 | T | B | -0.7636 | |
| 496 | Y | B | -0.1687 | |
| 497 | V | B | 1.2010 | |
| 498 | P | B | -0.1726 | |
| 499 | K | B | -0.5458 | |
| 500 | A | B | -0.2743 | |
| 501 | F | B | -0.7200 | |
| 502 | D | B | -1.6902 | |
| 503 | E | B | -2.6596 | |
| 504 | K | B | -2.5076 | |
| 505 | L | B | -1.2443 | |
| 506 | F | B | 0.0000 | |
| 507 | T | B | -1.1934 | |
| 508 | F | B | -0.9937 | |
| 509 | H | B | -1.8603 | |
| 510 | A | B | 0.0000 | |
| 511 | D | B | -2.2733 | |
| 512 | I | B | 0.0000 | |
| 513 | C | B | -0.8056 | |
| 514 | T | B | -1.0688 | |
| 515 | L | B | -1.0729 | |
| 516 | P | B | -1.5310 | |
| 517 | D | B | -2.2507 | |
| 518 | T | B | -1.5027 | |
| 519 | E | B | -1.6241 | |
| 520 | K | B | -1.6552 | |
| 521 | Q | B | -1.3087 | |
| 522 | I | B | -1.0373 | |
| 523 | K | B | -1.2088 | |
| 524 | K | B | -0.7455 | |
| 525 | Q | B | 0.0000 | |
| 526 | T | B | -0.5104 | |
| 527 | A | B | 0.0000 | |
| 528 | L | B | 0.0000 | |
| 529 | V | B | 0.0000 | |
| 530 | E | B | 0.0000 | |
| 531 | L | B | 0.0000 | |
| 532 | L | B | 0.0000 | |
| 533 | K | B | 0.0000 | |
| 534 | H | B | -0.6617 | |
| 535 | K | B | -1.1990 | |
| 536 | P | B | -1.3610 | |
| 537 | K | B | -2.3773 | |
| 538 | A | B | 0.0000 | |
| 539 | T | B | -2.2937 | |
| 540 | E | B | -3.3890 | |
| 541 | E | B | -3.4418 | |
| 542 | Q | B | -2.4454 | |
| 543 | L | B | 0.0000 | |
| 544 | K | B | -3.4123 | |
| 545 | T | B | -2.3252 | |
| 546 | V | B | 0.0000 | |
| 547 | M | B | -1.3636 | |
| 548 | E | B | -2.2522 | |
| 549 | N | B | -1.9573 | |
| 550 | F | B | 0.0000 | |
| 551 | V | B | -0.7231 | |
| 552 | A | B | -1.2851 | |
| 553 | F | B | 0.0000 | |
| 554 | V | B | 0.0000 | |
| 555 | D | B | -1.6956 | |
| 556 | K | B | -2.3790 | |
| 557 | C | B | 0.0000 | |
| 558 | C | B | -1.4988 | |
| 561 | D | B | -3.2452 | |
| 562 | D | B | -3.4213 | |
| 563 | K | B | -3.0591 | |
| 564 | E | B | -2.8574 | |
| 565 | A | B | -1.4325 | |
| 566 | C | B | -1.2655 | |
| 567 | F | B | 0.0000 | |
| 568 | A | B | -0.0872 | |
| 569 | V | B | 0.8628 | |
| 570 | E | B | -0.6234 | |
| 571 | G | B | -0.3169 | |
| 572 | P | B | -0.4542 | |
| 573 | K | B | -1.0334 | |
| 574 | L | B | 0.0000 | |
| 575 | V | B | -0.1926 | |
| 576 | V | B | 0.9768 | |
| 577 | S | B | 0.0077 | |
| 578 | T | B | 0.0000 | |
| 579 | Q | B | -0.0990 | |
| 580 | T | B | 0.0662 | |
| 581 | A | B | -0.0181 | |
| 582 | L | B | 0.0000 | |
| 583 | A | B | -0.1904 |
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 | -0.8474 | 2.7829 | View | CSV | PDB |
| 4.5 | -0.963 | 2.713 | View | CSV | PDB |
| 5.0 | -1.105 | 2.6465 | View | CSV | PDB |
| 5.5 | -1.247 | 2.579 | View | CSV | PDB |
| 6.0 | -1.3622 | 2.511 | View | CSV | PDB |
| 6.5 | -1.4314 | 2.4444 | View | CSV | PDB |
| 7.0 | -1.4524 | 2.3799 | View | CSV | PDB |
| 7.5 | -1.4391 | 2.3179 | View | CSV | PDB |
| 8.0 | -1.4063 | 2.2595 | View | CSV | PDB |
| 8.5 | -1.3589 | 2.2084 | View | CSV | PDB |
| 9.0 | -1.2952 | 2.1714 | 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