| Chain sequence(s) |
A: LNFRAPPVIPNVPFLWAWNAPSEFCLGKFDEPLDMSLFSFIGSPRINATGQGVTIFYVDRLGYYPYIDSITGVTVNGGIPQKISLQDHLDKAKKDITFYMPVDNLGMAVIDWEEWRPTWARNWKPKDVYKNRSIELVQQQNVQLSLTEATEKAKQEFEKAGKDFLVETIKLGKLLRPNHLWGYYLFPDCYNHHYKKPGYNGSCFNVEIKRNDDLSWLWNESTALYPSIYLNTQQSPVAATLYVRNRVREAIRVSKIPDAKSPLPVFAYTRIVFTDQVLKFLSQDELVYTFGETVALGASGIVIWGTLSIMRSMKSCLLLDNYMETILNPYIINVTLAAKMCSQVLCQEQGVCIRKNWNSSDYLHLNPDNFAIQLEKGGKFTVRGKPTLEDLEQFSEKFYCSCYSTLSCKEKADVKDTDAVDVCIADGVCIDAFLKPPMETEEPQIFYGGGGSGGGGSGGGGSDAHKSEVAHRFKDLGEENFKALVLIAFAQYLQQCPFEDHVKLVNEVTEFAKTCVADESAENCDKSLHTLFGDKLCTVATLRETYGEMADCCAKQEPERNECFLQHKDDNPNLPRLVRPEVDVMCTAFHDNEETFLKKYLYEIARRHPYFYAPELLFFAKRYKAAFTECCQAADKAACLLPKLDELRDEGKASSAKQRLKCASLQKFGERAFKAWAVARLSQRFPKAEFAEVSKLVTDLTKVHTECCHGDLLECADDRADLAKYICENQDSISSKLKECCEKPLLEKSHCIAEVENDEMPADLPSLAADFVESKDVCKNYAEAKDVFLGMFLYEYARRHPDYSVVLLLRLAKTYETTLEKCCAAADPHECYAKVFDEFKPLVEEPQNLIKQNCELFEQLGEYKFQNALLVRYTKKVPQVSTPTLVEVSRNLGKVGSKCCKHPEAKRMPCAEDYLSVVLNQLCVLHEKTPVSDRVTKCCTESLVNRRPCFSALEVDETYVPKEFNAETFTFHADICTLSEKERQIKKQTALVELVKHKPKATKEQLKAVMDDFAAFVEKCCKADDKETCFAEEGKKLVAASQAALGL
input PDB |
| Selected Chain(s) | A |
| 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 A 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. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:28:23)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/94c0d2a1ac88ae9/tmp/folded.pdb (00:28:23)
[INFO] Main: Simulation completed successfully. (00:33:59)
|
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 | L | A | 1.1298 | |
| 2 | N | A | 0.0908 | |
| 3 | F | A | -0.1519 | |
| 4 | R | A | -0.3468 | |
| 5 | A | A | -0.3140 | |
| 6 | P | A | 0.0173 | |
| 7 | P | A | -0.1467 | |
| 8 | V | A | 0.3785 | |
| 9 | I | A | 0.2068 | |
| 10 | P | A | -0.5427 | |
| 11 | N | A | -1.3303 | |
| 12 | V | A | -0.1388 | |
| 13 | P | A | -0.5497 | |
| 14 | F | A | 0.0000 | |
| 15 | L | A | 0.0000 | |
| 16 | W | A | 0.0000 | |
| 17 | A | A | 0.0000 | |
| 18 | W | A | 0.0000 | |
| 19 | N | A | 0.0000 | |
| 20 | A | A | 0.0000 | |
| 21 | P | A | 0.0000 | |
| 22 | S | A | 0.0000 | |
| 23 | E | A | -0.8601 | |
| 24 | F | A | -0.1956 | |
| 25 | C | A | 0.0000 | |
| 26 | L | A | -0.7523 | |
| 27 | G | A | 0.0000 | |
| 28 | K | A | -1.3303 | |
| 29 | F | A | 0.3335 | |
| 30 | D | A | -0.6848 | |
| 31 | E | A | -1.9926 | |
| 32 | P | A | -1.4050 | |
| 33 | L | A | 0.0000 | |
| 34 | D | A | -1.4579 | |
| 35 | M | A | -0.2045 | |
| 36 | S | A | -0.7012 | |
| 37 | L | A | 0.0000 | |
| 38 | F | A | 0.0000 | |
| 39 | S | A | 0.1561 | |
| 40 | F | A | 0.0000 | |
| 41 | I | A | 0.6638 | |
| 42 | G | A | 0.0000 | |
| 43 | S | A | 0.0000 | |
| 44 | P | A | -0.0760 | |
| 45 | R | A | -0.2696 | |
| 46 | I | A | -0.1682 | |
| 47 | N | A | -0.1500 | |
| 48 | A | A | -0.1157 | |
| 49 | T | A | 0.1070 | |
| 50 | G | A | -0.2903 | |
| 51 | Q | A | -0.2746 | |
| 52 | G | A | -0.1660 | |
| 53 | V | A | 0.0000 | |
| 54 | T | A | 0.0000 | |
| 55 | I | A | 0.0000 | |
| 56 | F | A | 0.0000 | |
| 57 | Y | A | -0.1220 | |
| 58 | V | A | -0.2759 | |
| 59 | D | A | -1.2716 | |
| 60 | R | A | -0.3256 | |
| 61 | L | A | 0.0000 | |
| 62 | G | A | 0.0000 | |
| 63 | Y | A | -0.3287 | |
| 64 | Y | A | 0.0000 | |
| 65 | P | A | 0.0000 | |
| 66 | Y | A | 0.0000 | |
| 67 | I | A | 0.0000 | |
| 68 | D | A | 0.3754 | |
| 69 | S | A | 0.5648 | |
| 70 | I | A | 1.8514 | |
| 71 | T | A | 0.6162 | |
| 72 | G | A | 0.6219 | |
| 73 | V | A | 1.0576 | |
| 74 | T | A | 0.3398 | |
| 75 | V | A | 0.1518 | |
| 76 | N | A | -0.4583 | |
| 77 | G | A | -0.5105 | |
| 78 | G | A | 0.0000 | |
| 79 | I | A | 0.0000 | |
| 80 | P | A | 0.0000 | |
| 81 | Q | A | -1.2815 | |
| 82 | K | A | -1.3624 | |
| 83 | I | A | -0.8470 | |
| 84 | S | A | -1.1024 | |
| 85 | L | A | -1.2130 | |
| 86 | Q | A | -2.2043 | |
| 87 | D | A | -2.6225 | |
| 88 | H | A | 0.0000 | |
| 89 | L | A | -1.9037 | |
| 90 | D | A | -2.5951 | |
| 91 | K | A | -2.2215 | |
| 92 | A | A | 0.0000 | |
| 93 | K | A | -1.9476 | |
| 94 | K | A | -2.1177 | |
| 95 | D | A | -1.1293 | |
| 96 | I | A | 0.0000 | |
| 97 | T | A | -0.0594 | |
| 98 | F | A | 1.0075 | |
| 99 | Y | A | 0.0000 | |
| 100 | M | A | 0.0000 | |
| 101 | P | A | 0.6048 | |
| 102 | V | A | 0.9830 | |
| 103 | D | A | -0.7449 | |
| 104 | N | A | -1.3073 | |
| 105 | L | A | -0.4020 | |
| 106 | G | A | 0.0000 | |
| 107 | M | A | 0.0000 | |
| 108 | A | A | 0.0000 | |
| 109 | V | A | 0.0000 | |
| 110 | I | A | 0.0000 | |
| 111 | D | A | -0.2758 | |
| 112 | W | A | 0.0000 | |
| 113 | E | A | -0.9708 | |
| 114 | E | A | -0.9125 | |
| 115 | W | A | 0.0000 | |
| 116 | R | A | 0.0000 | |
| 117 | P | A | 0.0000 | |
| 118 | T | A | -0.7511 | |
| 119 | W | A | 0.0000 | |
| 120 | A | A | -0.0860 | |
| 121 | R | A | 0.0000 | |
| 122 | N | A | 0.0000 | |
| 123 | W | A | -0.3979 | |
| 124 | K | A | -1.6701 | |
| 125 | P | A | -1.3025 | |
| 126 | K | A | -1.2345 | |
| 127 | D | A | -1.1824 | |
| 128 | V | A | -0.6590 | |
| 129 | Y | A | 0.0000 | |
| 130 | K | A | -1.2964 | |
| 131 | N | A | -1.9490 | |
| 132 | R | A | -1.6446 | |
| 133 | S | A | 0.0000 | |
| 134 | I | A | -2.1048 | |
| 135 | E | A | -2.6377 | |
| 136 | L | A | -2.0149 | |
| 137 | V | A | 0.0000 | |
| 138 | Q | A | -1.6182 | |
| 139 | Q | A | -2.0628 | |
| 140 | Q | A | -1.9336 | |
| 141 | N | A | -1.1072 | |
| 142 | V | A | 0.2901 | |
| 143 | Q | A | -0.7523 | |
| 144 | L | A | -0.5727 | |
| 145 | S | A | 0.0131 | |
| 146 | L | A | 0.2905 | |
| 147 | T | A | -0.7088 | |
| 148 | E | A | -2.2892 | |
| 149 | A | A | 0.0000 | |
| 150 | T | A | -2.1653 | |
| 151 | E | A | -3.2290 | |
| 152 | K | A | -2.8829 | |
| 153 | A | A | 0.0000 | |
| 154 | K | A | -2.9999 | |
| 155 | Q | A | -3.3608 | |
| 156 | E | A | -3.1825 | |
| 157 | F | A | 0.0000 | |
| 158 | E | A | -2.3489 | |
| 159 | K | A | -2.8950 | |
| 160 | A | A | -1.9313 | |
| 161 | G | A | 0.0000 | |
| 162 | K | A | -1.6921 | |
| 163 | D | A | -1.4336 | |
| 164 | F | A | 0.0000 | |
| 165 | L | A | 0.0000 | |
| 166 | V | A | -1.0754 | |
| 167 | E | A | -1.6250 | |
| 168 | T | A | 0.0000 | |
| 169 | I | A | 0.0000 | |
| 170 | K | A | -1.0065 | |
| 171 | L | A | 0.0000 | |
| 172 | G | A | 0.0000 | |
| 173 | K | A | -0.3391 | |
| 174 | L | A | 0.9032 | |
| 175 | L | A | 0.4009 | |
| 176 | R | A | -0.3876 | |
| 177 | P | A | -0.8572 | |
| 178 | N | A | -1.3835 | |
| 179 | H | A | 0.0000 | |
| 180 | L | A | -0.0931 | |
| 181 | W | A | 0.0000 | |
| 182 | G | A | 0.0000 | |
| 183 | Y | A | 0.0000 | |
| 184 | Y | A | 0.0000 | |
| 185 | L | A | 0.0075 | |
| 186 | F | A | 0.0000 | |
| 187 | P | A | 0.0000 | |
| 188 | D | A | 0.0000 | |
| 189 | C | A | 0.0000 | |
| 190 | Y | A | -0.0185 | |
| 191 | N | A | 0.0000 | |
| 192 | H | A | -1.5936 | |
| 193 | H | A | -2.1504 | |
| 194 | Y | A | -1.9408 | |
| 195 | K | A | -3.0784 | |
| 196 | K | A | -3.0565 | |
| 197 | P | A | -1.8297 | |
| 198 | G | A | -1.5120 | |
| 199 | Y | A | -1.5037 | |
| 200 | N | A | -1.2891 | |
| 201 | G | A | 0.0000 | |
| 202 | S | A | -0.5858 | |
| 203 | C | A | 0.0188 | |
| 204 | F | A | 0.4670 | |
| 205 | N | A | -0.6971 | |
| 206 | V | A | 0.1165 | |
| 207 | E | A | 0.0000 | |
| 208 | I | A | -0.8234 | |
| 209 | K | A | -2.1326 | |
| 210 | R | A | -1.6371 | |
| 211 | N | A | 0.0000 | |
| 212 | D | A | -1.7377 | |
| 213 | D | A | -2.4792 | |
| 214 | L | A | 0.0000 | |
| 215 | S | A | -0.9598 | |
| 216 | W | A | -0.7576 | |
| 217 | L | A | 0.0000 | |
| 218 | W | A | 0.0000 | |
| 219 | N | A | -1.4668 | |
| 220 | E | A | -1.2119 | |
| 221 | S | A | 0.0000 | |
| 222 | T | A | -0.4052 | |
| 223 | A | A | 0.0000 | |
| 224 | L | A | 0.0000 | |
| 225 | Y | A | 0.0000 | |
| 226 | P | A | 0.0000 | |
| 227 | S | A | 0.0000 | |
| 228 | I | A | 0.0000 | |
| 229 | Y | A | 0.1527 | |
| 230 | L | A | 0.0000 | |
| 231 | N | A | -1.0774 | |
| 232 | T | A | -1.4406 | |
| 233 | Q | A | -1.8211 | |
| 234 | Q | A | -1.0035 | |
| 235 | S | A | -0.2925 | |
| 236 | P | A | 0.1063 | |
| 237 | V | A | 1.5381 | |
| 238 | A | A | 0.0000 | |
| 239 | A | A | 0.0000 | |
| 240 | T | A | 0.1853 | |
| 241 | L | A | 0.1720 | |
| 242 | Y | A | 0.0000 | |
| 243 | V | A | 0.0000 | |
| 244 | R | A | 0.0000 | |
| 245 | N | A | 0.0000 | |
| 246 | R | A | 0.0000 | |
| 247 | V | A | 0.0000 | |
| 248 | R | A | -1.2449 | |
| 249 | E | A | 0.0000 | |
| 250 | A | A | 0.0000 | |
| 251 | I | A | -0.5841 | |
| 252 | R | A | -0.8942 | |
| 253 | V | A | 0.0000 | |
| 254 | S | A | 0.0000 | |
| 255 | K | A | -1.2525 | |
| 256 | I | A | -0.6427 | |
| 257 | P | A | -1.2297 | |
| 258 | D | A | -2.0323 | |
| 259 | A | A | -1.4403 | |
| 260 | K | A | -2.0164 | |
| 261 | S | A | -1.4433 | |
| 262 | P | A | 0.0000 | |
| 263 | L | A | -0.5024 | |
| 264 | P | A | 0.0318 | |
| 265 | V | A | 0.0000 | |
| 266 | F | A | 0.0000 | |
| 267 | A | A | 0.0000 | |
| 268 | Y | A | 0.0000 | |
| 269 | T | A | 0.0000 | |
| 270 | R | A | 0.0000 | |
| 271 | I | A | 0.0000 | |
| 272 | V | A | 0.0000 | |
| 273 | F | A | 0.0000 | |
| 274 | T | A | -0.8001 | |
| 275 | D | A | -1.8256 | |
| 276 | Q | A | -1.3520 | |
| 277 | V | A | 0.0714 | |
| 278 | L | A | 0.9128 | |
| 279 | K | A | -0.7563 | |
| 280 | F | A | 0.1048 | |
| 281 | L | A | 0.0000 | |
| 282 | S | A | -1.0847 | |
| 283 | Q | A | -1.4161 | |
| 284 | D | A | -2.1935 | |
| 285 | E | A | -1.3003 | |
| 286 | L | A | 0.0000 | |
| 287 | V | A | -0.6431 | |
| 288 | Y | A | -0.1435 | |
| 289 | T | A | 0.0000 | |
| 290 | F | A | 0.0000 | |
| 291 | G | A | 0.0000 | |
| 292 | E | A | 0.0000 | |
| 293 | T | A | 0.0000 | |
| 294 | V | A | 0.0000 | |
| 295 | A | A | 0.0000 | |
| 296 | L | A | 0.0000 | |
| 297 | G | A | 0.0000 | |
| 298 | A | A | 0.0000 | |
| 299 | S | A | 0.0434 | |
| 300 | G | A | 0.0000 | |
| 301 | I | A | 0.0000 | |
| 302 | V | A | 0.0000 | |
| 303 | I | A | 0.0000 | |
| 304 | W | A | 0.1675 | |
| 305 | G | A | 0.0000 | |
| 306 | T | A | -0.1368 | |
| 307 | L | A | 0.0000 | |
| 308 | S | A | 0.0000 | |
| 309 | I | A | 0.0000 | |
| 310 | M | A | 0.0000 | |
| 311 | R | A | -1.2808 | |
| 312 | S | A | -0.8561 | |
| 313 | M | A | -0.4497 | |
| 314 | K | A | -1.2200 | |
| 315 | S | A | -0.2572 | |
| 316 | C | A | 0.0000 | |
| 317 | L | A | -0.1539 | |
| 318 | L | A | 0.5003 | |
| 319 | L | A | 0.0000 | |
| 320 | D | A | -1.2935 | |
| 321 | N | A | -1.3222 | |
| 322 | Y | A | 0.0000 | |
| 323 | M | A | 0.0000 | |
| 324 | E | A | -1.4048 | |
| 325 | T | A | -0.7258 | |
| 326 | I | A | -0.2079 | |
| 327 | L | A | 0.0000 | |
| 328 | N | A | 0.0000 | |
| 329 | P | A | -0.1873 | |
| 330 | Y | A | 0.0000 | |
| 331 | I | A | 0.0000 | |
| 332 | I | A | 0.0000 | |
| 333 | N | A | -0.2549 | |
| 334 | V | A | 0.0000 | |
| 335 | T | A | 0.0000 | |
| 336 | L | A | 0.0000 | |
| 337 | A | A | 0.0000 | |
| 338 | A | A | 0.0000 | |
| 339 | K | A | -0.8798 | |
| 340 | M | A | 0.0000 | |
| 341 | C | A | 0.0000 | |
| 342 | S | A | 0.0000 | |
| 343 | Q | A | -1.6934 | |
| 344 | V | A | 0.0000 | |
| 345 | L | A | 0.0000 | |
| 346 | C | A | 0.0000 | |
| 347 | Q | A | -2.5229 | |
| 348 | E | A | -2.7024 | |
| 349 | Q | A | -1.8364 | |
| 350 | G | A | 0.0000 | |
| 351 | V | A | 0.0000 | |
| 352 | C | A | 0.0000 | |
| 353 | I | A | 0.0000 | |
| 354 | R | A | 0.0000 | |
| 355 | K | A | -2.7506 | |
| 356 | N | A | -2.3828 | |
| 357 | W | A | -1.4613 | |
| 358 | N | A | -1.5419 | |
| 359 | S | A | -1.3117 | |
| 360 | S | A | -0.6815 | |
| 361 | D | A | -1.0717 | |
| 362 | Y | A | -0.1054 | |
| 363 | L | A | 0.0000 | |
| 364 | H | A | -0.4230 | |
| 365 | L | A | 0.0000 | |
| 366 | N | A | -1.4764 | |
| 367 | P | A | -1.4623 | |
| 368 | D | A | -2.3853 | |
| 369 | N | A | -2.1916 | |
| 370 | F | A | 0.0000 | |
| 371 | A | A | -1.3692 | |
| 372 | I | A | -0.7098 | |
| 373 | Q | A | -1.9493 | |
| 374 | L | A | -1.9152 | |
| 375 | E | A | -3.3949 | |
| 376 | K | A | -3.6127 | |
| 377 | G | A | -2.6979 | |
| 378 | G | A | -3.0541 | |
| 379 | K | A | -3.4109 | |
| 380 | F | A | 0.0000 | |
| 381 | T | A | -1.5836 | |
| 382 | V | A | -1.2837 | |
| 383 | R | A | -2.5954 | |
| 384 | G | A | -2.5945 | |
| 385 | K | A | -2.2814 | |
| 386 | P | A | 0.0000 | |
| 387 | T | A | -0.9175 | |
| 388 | L | A | -1.9104 | |
| 389 | E | A | -2.6326 | |
| 390 | D | A | 0.0000 | |
| 391 | L | A | 0.0000 | |
| 392 | E | A | -3.4967 | |
| 393 | Q | A | -2.8284 | |
| 394 | F | A | 0.0000 | |
| 395 | S | A | -2.6256 | |
| 396 | E | A | -3.0178 | |
| 397 | K | A | -2.5984 | |
| 398 | F | A | 0.0000 | |
| 399 | Y | A | -0.9591 | |
| 400 | C | A | -0.9292 | |
| 401 | S | A | 0.0000 | |
| 402 | C | A | 0.0000 | |
| 403 | Y | A | 0.0000 | |
| 404 | S | A | -0.4751 | |
| 405 | T | A | -0.1045 | |
| 406 | L | A | 0.3164 | |
| 407 | S | A | -0.0990 | |
| 408 | C | A | -1.3457 | |
| 409 | K | A | -2.5530 | |
| 410 | E | A | -2.6491 | |
| 411 | K | A | -2.5596 | |
| 412 | A | A | -2.0448 | |
| 413 | D | A | -3.2734 | |
| 414 | V | A | 0.0000 | |
| 415 | K | A | -3.8814 | |
| 416 | D | A | -3.5930 | |
| 417 | T | A | 0.0000 | |
| 418 | D | A | -1.9030 | |
| 419 | A | A | -1.1108 | |
| 420 | V | A | 0.0000 | |
| 421 | D | A | -2.1983 | |
| 422 | V | A | 0.0000 | |
| 423 | C | A | -0.6717 | |
| 424 | I | A | -0.0903 | |
| 425 | A | A | -0.7570 | |
| 426 | D | A | -2.0842 | |
| 427 | G | A | -1.4339 | |
| 428 | V | A | 0.0000 | |
| 429 | C | A | -1.1324 | |
| 430 | I | A | 0.0000 | |
| 431 | D | A | -2.5061 | |
| 432 | A | A | -1.1178 | |
| 433 | F | A | 0.3505 | |
| 434 | L | A | -0.7604 | |
| 435 | K | A | -1.4930 | |
| 436 | P | A | -0.7562 | |
| 437 | P | A | -0.5556 | |
| 438 | M | A | -0.4344 | |
| 439 | E | A | -2.2114 | |
| 440 | T | A | -2.0792 | |
| 441 | E | A | -3.3124 | |
| 442 | E | A | -3.1762 | |
| 443 | P | A | -1.6774 | |
| 444 | Q | A | -0.4593 | |
| 445 | I | A | 2.3164 | |
| 446 | F | A | 3.1793 | |
| 447 | Y | A | 2.2045 | |
| 448 | G | A | 0.4777 | |
| 449 | G | A | -0.7130 | |
| 450 | G | A | -1.0626 | |
| 451 | G | A | -1.0598 | |
| 452 | S | A | -0.8998 | |
| 453 | G | A | -1.0754 | |
| 454 | G | A | -1.1403 | |
| 455 | G | A | -1.1403 | |
| 456 | G | A | -1.1434 | |
| 457 | S | A | -1.0098 | |
| 458 | G | A | -1.1736 | |
| 459 | G | A | -1.2508 | |
| 460 | G | A | -1.6407 | |
| 461 | G | A | -1.6565 | |
| 462 | S | A | -1.5084 | |
| 463 | D | A | -2.7046 | |
| 464 | A | A | -1.6981 | |
| 465 | H | A | -2.4558 | |
| 466 | K | A | -3.2900 | |
| 467 | S | A | 0.0000 | |
| 468 | E | A | -1.7117 | |
| 469 | V | A | 0.0000 | |
| 470 | A | A | 0.0000 | |
| 471 | H | A | -2.0303 | |
| 472 | R | A | -1.8178 | |
| 473 | F | A | 0.0000 | |
| 474 | K | A | -2.9332 | |
| 475 | D | A | -2.9548 | |
| 476 | L | A | -2.2096 | |
| 477 | G | A | -2.4706 | |
| 478 | E | A | -3.0715 | |
| 479 | E | A | -2.8108 | |
| 480 | N | A | -2.1007 | |
| 481 | F | A | 0.0000 | |
| 482 | K | A | -1.9444 | |
| 483 | A | A | -1.2082 | |
| 484 | L | A | 0.0000 | |
| 485 | V | A | 0.0000 | |
| 486 | L | A | 0.0000 | |
| 487 | I | A | 0.0000 | |
| 488 | A | A | 0.0000 | |
| 489 | F | A | 0.0000 | |
| 490 | A | A | 0.0000 | |
| 491 | Q | A | 0.0000 | |
| 492 | Y | A | 0.0000 | |
| 493 | L | A | 0.0000 | |
| 494 | Q | A | 0.0000 | |
| 495 | Q | A | -0.7699 | |
| 496 | C | A | 0.0000 | |
| 497 | P | A | -1.3177 | |
| 498 | F | A | 0.0000 | |
| 499 | E | A | -2.9107 | |
| 500 | D | A | -2.8170 | |
| 501 | H | A | 0.0000 | |
| 502 | V | A | -2.2868 | |
| 503 | K | A | -3.2395 | |
| 504 | L | A | -2.1663 | |
| 505 | V | A | 0.0000 | |
| 506 | N | A | -3.1946 | |
| 507 | E | A | -3.2813 | |
| 508 | V | A | 0.0000 | |
| 509 | T | A | 0.0000 | |
| 510 | E | A | -3.0019 | |
| 511 | F | A | -1.7988 | |
| 512 | A | A | 0.0000 | |
| 513 | K | A | -2.2765 | |
| 514 | T | A | -1.5503 | |
| 515 | C | A | 0.0000 | |
| 516 | V | A | -1.1414 | |
| 517 | A | A | -0.8375 | |
| 518 | D | A | -2.1239 | |
| 519 | E | A | -2.6879 | |
| 520 | S | A | -2.1225 | |
| 521 | A | A | -2.0757 | |
| 522 | E | A | -2.7014 | |
| 523 | N | A | -2.1458 | |
| 524 | C | A | 0.0000 | |
| 525 | D | A | -3.3884 | |
| 526 | K | A | -2.1365 | |
| 527 | S | A | -1.0491 | |
| 528 | L | A | 0.0000 | |
| 529 | H | A | -0.7335 | |
| 530 | T | A | -0.8697 | |
| 531 | L | A | -0.6139 | |
| 532 | F | A | -0.2788 | |
| 533 | G | A | 0.0000 | |
| 534 | D | A | -0.9335 | |
| 535 | K | A | -0.8015 | |
| 536 | L | A | 0.0000 | |
| 537 | C | A | -0.4524 | |
| 538 | T | A | -0.1286 | |
| 539 | V | A | -0.3421 | |
| 540 | A | A | -0.4433 | |
| 541 | T | A | -1.1289 | |
| 542 | L | A | 0.0000 | |
| 543 | R | A | -3.3980 | |
| 544 | E | A | -2.9528 | |
| 545 | T | A | -1.7587 | |
| 546 | Y | A | -1.8243 | |
| 547 | G | A | -2.5388 | |
| 548 | E | A | -3.0619 | |
| 549 | M | A | 0.0000 | |
| 550 | A | A | -2.3703 | |
| 551 | D | A | -2.7320 | |
| 552 | C | A | 0.0000 | |
| 553 | C | A | -1.3405 | |
| 554 | A | A | -1.2432 | |
| 555 | K | A | -2.5029 | |
| 556 | Q | A | -2.3914 | |
| 557 | E | A | -2.2297 | |
| 558 | P | A | -2.1778 | |
| 559 | E | A | -2.9377 | |
| 560 | R | A | 0.0000 | |
| 561 | N | A | -2.1434 | |
| 562 | E | A | -2.9426 | |
| 563 | C | A | -2.4157 | |
| 564 | F | A | 0.0000 | |
| 565 | L | A | -1.4451 | |
| 566 | Q | A | -1.7874 | |
| 567 | H | A | -1.4604 | |
| 568 | K | A | 0.0000 | |
| 569 | D | A | -1.6772 | |
| 570 | D | A | -1.5659 | |
| 571 | N | A | -2.0051 | |
| 572 | P | A | 0.0000 | |
| 573 | N | A | -2.0198 | |
| 574 | L | A | -1.1856 | |
| 575 | P | A | -0.8047 | |
| 576 | R | A | -1.1201 | |
| 577 | L | A | 0.8891 | |
| 578 | V | A | 1.1476 | |
| 579 | R | A | -0.1834 | |
| 580 | P | A | -0.7484 | |
| 581 | E | A | -1.9145 | |
| 582 | V | A | -1.3354 | |
| 583 | D | A | -1.7617 | |
| 584 | V | A | -0.2452 | |
| 585 | M | A | 0.0000 | |
| 586 | C | A | 0.0000 | |
| 587 | T | A | -1.0702 | |
| 588 | A | A | -1.0713 | |
| 589 | F | A | 0.0000 | |
| 590 | H | A | -2.4248 | |
| 591 | D | A | -2.9422 | |
| 592 | N | A | -2.6358 | |
| 593 | E | A | -2.6732 | |
| 594 | E | A | -2.8678 | |
| 595 | T | A | -1.7256 | |
| 596 | F | A | -1.5470 | |
| 597 | L | A | -1.4000 | |
| 598 | K | A | -1.4013 | |
| 599 | K | A | -1.4274 | |
| 600 | Y | A | -0.3464 | |
| 601 | L | A | 0.0000 | |
| 602 | Y | A | 0.0000 | |
| 603 | E | A | -0.2102 | |
| 604 | I | A | -0.1756 | |
| 605 | A | A | 0.0000 | |
| 606 | R | A | -0.5750 | |
| 607 | R | A | -0.9127 | |
| 608 | H | A | -0.7435 | |
| 609 | P | A | 0.0000 | |
| 610 | Y | A | -0.2666 | |
| 611 | F | A | 0.0000 | |
| 612 | Y | A | -0.0967 | |
| 613 | A | A | 0.0000 | |
| 614 | P | A | 0.0000 | |
| 615 | E | A | -0.4053 | |
| 616 | L | A | 0.0000 | |
| 617 | L | A | 0.0000 | |
| 618 | F | A | 0.0000 | |
| 619 | F | A | 0.0000 | |
| 620 | A | A | -1.0418 | |
| 621 | K | A | -2.0519 | |
| 622 | R | A | -1.5696 | |
| 623 | Y | A | -1.1048 | |
| 624 | K | A | -1.7565 | |
| 625 | A | A | -1.4156 | |
| 626 | A | A | 0.0000 | |
| 627 | F | A | 0.0000 | |
| 628 | T | A | -1.5522 | |
| 629 | E | A | -2.3124 | |
| 630 | C | A | 0.0000 | |
| 631 | C | A | 0.0000 | |
| 632 | Q | A | -2.0757 | |
| 633 | A | A | -1.7140 | |
| 634 | A | A | -1.2132 | |
| 635 | D | A | -2.1773 | |
| 636 | K | A | -2.0692 | |
| 637 | A | A | -1.1321 | |
| 638 | A | A | -0.5492 | |
| 639 | C | A | -0.9435 | |
| 640 | L | A | 0.0000 | |
| 641 | L | A | -0.2493 | |
| 642 | P | A | -1.0023 | |
| 643 | K | A | -1.5861 | |
| 644 | L | A | 0.0000 | |
| 645 | D | A | -2.6335 | |
| 646 | E | A | -3.7081 | |
| 647 | L | A | 0.0000 | |
| 648 | R | A | -3.6106 | |
| 649 | D | A | -4.1036 | |
| 650 | E | A | -3.2256 | |
| 651 | G | A | -2.6371 | |
| 652 | K | A | -3.0490 | |
| 653 | A | A | -1.9221 | |
| 654 | S | A | -1.4820 | |
| 655 | S | A | 0.0000 | |
| 656 | A | A | -1.1102 | |
| 657 | K | A | -1.3095 | |
| 658 | Q | A | 0.0000 | |
| 659 | R | A | -0.7481 | |
| 660 | L | A | 0.0000 | |
| 661 | K | A | -0.9827 | |
| 662 | C | A | 0.0000 | |
| 663 | A | A | 0.0000 | |
| 664 | S | A | 0.0000 | |
| 665 | L | A | 0.0000 | |
| 666 | Q | A | -1.9073 | |
| 667 | K | A | -1.3593 | |
| 668 | F | A | -1.1997 | |
| 669 | G | A | -1.9557 | |
| 670 | E | A | -3.1763 | |
| 671 | R | A | -2.8591 | |
| 672 | A | A | -1.5094 | |
| 673 | F | A | 0.0000 | |
| 674 | K | A | -1.6124 | |
| 675 | A | A | -1.1481 | |
| 676 | W | A | -0.6413 | |
| 677 | A | A | 0.0000 | |
| 678 | V | A | 0.0000 | |
| 679 | A | A | 0.0000 | |
| 680 | R | A | -0.8064 | |
| 681 | L | A | 0.0000 | |
| 682 | S | A | 0.0000 | |
| 683 | Q | A | 0.0000 | |
| 684 | R | A | -1.9419 | |
| 685 | F | A | 0.0000 | |
| 686 | P | A | 0.0000 | |
| 687 | K | A | -2.6353 | |
| 688 | A | A | 0.0000 | |
| 689 | E | A | -2.4517 | |
| 690 | F | A | 0.0000 | |
| 691 | A | A | -0.8354 | |
| 692 | E | A | -1.1422 | |
| 693 | V | A | 0.0000 | |
| 694 | S | A | -0.4096 | |
| 695 | K | A | 0.0000 | |
| 696 | L | A | 0.0000 | |
| 697 | V | A | 0.0000 | |
| 698 | T | A | 0.0000 | |
| 699 | D | A | -0.7866 | |
| 700 | L | A | -0.5065 | |
| 701 | T | A | 0.0000 | |
| 702 | K | A | -1.9498 | |
| 703 | V | A | 0.0000 | |
| 704 | H | A | 0.0000 | |
| 705 | T | A | -1.3490 | |
| 706 | E | A | -1.1454 | |
| 707 | C | A | 0.0000 | |
| 708 | C | A | 0.0000 | |
| 709 | H | A | -1.1216 | |
| 710 | G | A | 0.0000 | |
| 711 | D | A | -0.7191 | |
| 712 | L | A | 0.0000 | |
| 713 | L | A | 0.0000 | |
| 714 | E | A | -1.2618 | |
| 715 | C | A | 0.0000 | |
| 716 | A | A | 0.0000 | |
| 717 | D | A | -1.4957 | |
| 718 | D | A | -1.9648 | |
| 719 | R | A | 0.0000 | |
| 720 | A | A | -1.6279 | |
| 721 | D | A | -2.5556 | |
| 722 | L | A | 0.0000 | |
| 723 | A | A | 0.0000 | |
| 724 | K | A | -2.6960 | |
| 725 | Y | A | -1.7450 | |
| 726 | I | A | 0.0000 | |
| 727 | C | A | -2.6650 | |
| 728 | E | A | -2.6129 | |
| 729 | N | A | -2.0061 | |
| 730 | Q | A | -2.3567 | |
| 731 | D | A | -2.8430 | |
| 732 | S | A | -2.0933 | |
| 733 | I | A | 0.0000 | |
| 734 | S | A | 0.0000 | |
| 735 | S | A | -2.0591 | |
| 736 | K | A | -2.3139 | |
| 737 | L | A | 0.0000 | |
| 738 | K | A | -3.4640 | |
| 739 | E | A | -3.4051 | |
| 740 | C | A | 0.0000 | |
| 741 | C | A | -2.7692 | |
| 742 | E | A | -3.1249 | |
| 743 | K | A | -2.2434 | |
| 744 | P | A | -0.8252 | |
| 745 | L | A | -0.4653 | |
| 746 | L | A | -0.3065 | |
| 747 | E | A | -1.1198 | |
| 748 | K | A | -1.3283 | |
| 749 | S | A | -0.9232 | |
| 750 | H | A | -0.8412 | |
| 751 | C | A | -1.2775 | |
| 752 | I | A | 0.0000 | |
| 753 | A | A | -1.2017 | |
| 754 | E | A | -2.4045 | |
| 755 | V | A | 0.0000 | |
| 756 | E | A | -3.0507 | |
| 757 | N | A | -2.7114 | |
| 758 | D | A | 0.0000 | |
| 759 | E | A | -2.4263 | |
| 760 | M | A | -1.1849 | |
| 761 | P | A | -1.1146 | |
| 762 | A | A | -0.9051 | |
| 763 | D | A | -1.6562 | |
| 764 | L | A | -0.8938 | |
| 765 | P | A | -0.7500 | |
| 766 | S | A | -0.6562 | |
| 767 | L | A | -0.3488 | |
| 768 | A | A | -0.5562 | |
| 769 | A | A | -0.9306 | |
| 770 | D | A | -1.2051 | |
| 771 | F | A | 0.0000 | |
| 772 | V | A | 0.0000 | |
| 773 | E | A | -2.6076 | |
| 774 | S | A | -2.2026 | |
| 775 | K | A | -3.0174 | |
| 776 | D | A | -3.3501 | |
| 777 | V | A | 0.0000 | |
| 778 | C | A | -1.9390 | |
| 779 | K | A | -2.7549 | |
| 780 | N | A | -2.1014 | |
| 781 | Y | A | 0.0000 | |
| 782 | A | A | -1.5254 | |
| 783 | E | A | -1.3032 | |
| 784 | A | A | 0.0000 | |
| 785 | K | A | -2.0208 | |
| 786 | D | A | -2.1547 | |
| 787 | V | A | -0.9519 | |
| 788 | F | A | 0.0000 | |
| 789 | L | A | 0.0000 | |
| 790 | G | A | -0.6312 | |
| 791 | M | A | 0.0000 | |
| 792 | F | A | 0.0000 | |
| 793 | L | A | 0.0000 | |
| 794 | Y | A | 0.0000 | |
| 795 | E | A | -0.5249 | |
| 796 | Y | A | 0.0000 | |
| 797 | A | A | 0.0000 | |
| 798 | R | A | 0.0000 | |
| 799 | R | A | -0.4862 | |
| 800 | H | A | -0.4896 | |
| 801 | P | A | -1.2202 | |
| 802 | D | A | -1.5672 | |
| 803 | Y | A | -0.6550 | |
| 804 | S | A | 0.0000 | |
| 805 | V | A | 0.0000 | |
| 806 | V | A | 0.0000 | |
| 807 | L | A | 0.0000 | |
| 808 | L | A | 0.0000 | |
| 809 | L | A | 0.0000 | |
| 810 | R | A | 0.0000 | |
| 811 | L | A | 0.0000 | |
| 812 | A | A | -0.6737 | |
| 813 | K | A | -1.3335 | |
| 814 | T | A | -1.0071 | |
| 815 | Y | A | 0.0000 | |
| 816 | E | A | -1.6537 | |
| 817 | T | A | -1.5531 | |
| 818 | T | A | -1.6843 | |
| 819 | L | A | 0.0000 | |
| 820 | E | A | -2.6710 | |
| 821 | K | A | -2.5050 | |
| 822 | C | A | 0.0000 | |
| 823 | C | A | -1.3149 | |
| 824 | A | A | -0.9633 | |
| 825 | A | A | -1.2717 | |
| 826 | A | A | -0.7862 | |
| 827 | D | A | -2.1874 | |
| 828 | P | A | -2.1744 | |
| 829 | H | A | -2.6580 | |
| 830 | E | A | -3.0018 | |
| 831 | C | A | -1.8078 | |
| 832 | Y | A | 0.0000 | |
| 833 | A | A | -1.9788 | |
| 834 | K | A | -2.6373 | |
| 835 | V | A | 0.0000 | |
| 836 | F | A | -1.5536 | |
| 837 | D | A | -3.1570 | |
| 838 | E | A | -2.7864 | |
| 839 | F | A | 0.0000 | |
| 840 | K | A | -2.8699 | |
| 841 | P | A | -2.0050 | |
| 842 | L | A | -1.3520 | |
| 843 | V | A | 0.0000 | |
| 844 | E | A | -2.2485 | |
| 845 | E | A | -1.9342 | |
| 846 | P | A | 0.0000 | |
| 847 | Q | A | -2.5506 | |
| 848 | N | A | -2.6159 | |
| 849 | L | A | -1.7061 | |
| 850 | I | A | 0.0000 | |
| 851 | K | A | -3.4728 | |
| 852 | Q | A | -2.8475 | |
| 853 | N | A | -2.0923 | |
| 854 | C | A | 0.0000 | |
| 855 | E | A | -3.3902 | |
| 856 | L | A | -2.2837 | |
| 857 | F | A | -2.3146 | |
| 858 | E | A | -3.1331 | |
| 859 | Q | A | -2.5772 | |
| 860 | L | A | -1.6730 | |
| 861 | G | A | -1.5773 | |
| 862 | E | A | -1.6892 | |
| 863 | Y | A | -1.1857 | |
| 864 | K | A | -1.7946 | |
| 865 | F | A | 0.0000 | |
| 866 | Q | A | 0.0000 | |
| 867 | N | A | -1.1122 | |
| 868 | A | A | -0.8424 | |
| 869 | L | A | 0.0000 | |
| 870 | L | A | 0.0000 | |
| 871 | V | A | 0.0000 | |
| 872 | R | A | -0.9627 | |
| 873 | Y | A | -0.4846 | |
| 874 | T | A | 0.0000 | |
| 875 | K | A | -1.1261 | |
| 876 | K | A | -0.9330 | |
| 877 | V | A | 0.0000 | |
| 878 | P | A | 0.0000 | |
| 879 | Q | A | -0.3335 | |
| 880 | V | A | 0.0000 | |
| 881 | S | A | -0.2442 | |
| 882 | T | A | 0.0000 | |
| 883 | P | A | -0.5440 | |
| 884 | T | A | -0.5983 | |
| 885 | L | A | 0.0000 | |
| 886 | V | A | 0.0000 | |
| 887 | E | A | -1.2788 | |
| 888 | V | A | 0.0000 | |
| 889 | S | A | 0.0000 | |
| 890 | R | A | -0.8274 | |
| 891 | N | A | -0.7708 | |
| 892 | L | A | 0.0000 | |
| 893 | G | A | 0.0000 | |
| 894 | K | A | -1.0336 | |
| 895 | V | A | 0.0000 | |
| 896 | G | A | 0.0000 | |
| 897 | S | A | -1.5363 | |
| 898 | K | A | -1.5236 | |
| 899 | C | A | 0.0000 | |
| 900 | C | A | 0.0000 | |
| 901 | K | A | -2.7336 | |
| 902 | H | A | -2.2188 | |
| 903 | P | A | -2.1265 | |
| 904 | E | A | -3.2226 | |
| 905 | A | A | -2.1042 | |
| 906 | K | A | -2.7372 | |
| 907 | R | A | -2.5537 | |
| 908 | M | A | 0.0000 | |
| 909 | P | A | -0.7789 | |
| 910 | C | A | -0.5199 | |
| 911 | A | A | 0.0000 | |
| 912 | E | A | 0.0000 | |
| 913 | D | A | 0.0000 | |
| 914 | Y | A | -0.0282 | |
| 915 | L | A | 0.1528 | |
| 916 | S | A | -0.0627 | |
| 917 | V | A | 0.0000 | |
| 918 | V | A | 0.0000 | |
| 919 | L | A | 0.0000 | |
| 920 | N | A | 0.0000 | |
| 921 | Q | A | -0.5298 | |
| 922 | L | A | 0.0000 | |
| 923 | C | A | 0.0000 | |
| 924 | V | A | 0.0000 | |
| 925 | L | A | -1.0961 | |
| 926 | H | A | 0.0000 | |
| 927 | E | A | -2.1464 | |
| 928 | K | A | -2.2538 | |
| 929 | T | A | -1.0740 | |
| 930 | P | A | -1.0537 | |
| 931 | V | A | -0.1908 | |
| 932 | S | A | 0.0000 | |
| 933 | D | A | -2.2840 | |
| 934 | R | A | -1.5744 | |
| 935 | V | A | 0.0000 | |
| 936 | T | A | -2.0613 | |
| 937 | K | A | -2.7177 | |
| 938 | C | A | 0.0000 | |
| 939 | C | A | 0.0000 | |
| 940 | T | A | -1.7532 | |
| 941 | E | A | -2.3364 | |
| 942 | S | A | -1.2727 | |
| 943 | L | A | -0.4151 | |
| 944 | V | A | -0.4599 | |
| 945 | N | A | -0.9323 | |
| 946 | R | A | 0.0000 | |
| 947 | R | A | 0.0000 | |
| 948 | P | A | -0.2494 | |
| 949 | C | A | -0.4790 | |
| 950 | F | A | 0.0000 | |
| 951 | S | A | -0.2681 | |
| 952 | A | A | -0.2408 | |
| 953 | L | A | -0.5927 | |
| 954 | E | A | -1.7900 | |
| 955 | V | A | -1.0236 | |
| 956 | D | A | 0.0000 | |
| 957 | E | A | -1.8378 | |
| 958 | T | A | -0.3388 | |
| 959 | Y | A | 0.1286 | |
| 960 | V | A | 0.7647 | |
| 961 | P | A | -0.7475 | |
| 962 | K | A | -2.2925 | |
| 963 | E | A | -2.3547 | |
| 964 | F | A | -1.4338 | |
| 965 | N | A | -1.8629 | |
| 966 | A | A | -1.5617 | |
| 967 | E | A | -2.0050 | |
| 968 | T | A | -1.1158 | |
| 969 | F | A | 0.0000 | |
| 970 | T | A | -1.2535 | |
| 971 | F | A | 0.0000 | |
| 972 | H | A | -1.9045 | |
| 973 | A | A | -1.9705 | |
| 974 | D | A | -2.2324 | |
| 975 | I | A | 0.0000 | |
| 976 | C | A | -1.3379 | |
| 977 | T | A | -0.6716 | |
| 978 | L | A | -1.0554 | |
| 979 | S | A | -1.4834 | |
| 980 | E | A | -2.8495 | |
| 981 | K | A | -2.7487 | |
| 982 | E | A | -1.9229 | |
| 983 | R | A | -2.1415 | |
| 984 | Q | A | -1.6938 | |
| 985 | I | A | -1.1925 | |
| 986 | K | A | -1.3782 | |
| 987 | K | A | -0.9028 | |
| 988 | Q | A | 0.0000 | |
| 989 | T | A | -0.5696 | |
| 990 | A | A | 0.0000 | |
| 991 | L | A | 0.0000 | |
| 992 | V | A | 0.0000 | |
| 993 | E | A | -0.5467 | |
| 994 | L | A | 0.0000 | |
| 995 | V | A | 0.0000 | |
| 996 | K | A | 0.0000 | |
| 997 | H | A | 0.0000 | |
| 998 | K | A | -1.0802 | |
| 999 | P | A | -1.2141 | |
| 1000 | K | A | -2.2514 | |
| 1001 | A | A | 0.0000 | |
| 1002 | T | A | -2.2933 | |
| 1003 | K | A | -3.3351 | |
| 1004 | E | A | -3.3771 | |
| 1005 | Q | A | -2.4495 | |
| 1006 | L | A | 0.0000 | |
| 1007 | K | A | -3.4409 | |
| 1008 | A | A | -2.5150 | |
| 1009 | V | A | 0.0000 | |
| 1010 | M | A | -1.9992 | |
| 1011 | D | A | -2.7692 | |
| 1012 | D | A | -2.6946 | |
| 1013 | F | A | 0.0000 | |
| 1014 | A | A | -1.7474 | |
| 1015 | A | A | -1.8816 | |
| 1016 | F | A | 0.0000 | |
| 1017 | V | A | 0.0000 | |
| 1018 | E | A | -2.9461 | |
| 1019 | K | A | -2.8029 | |
| 1020 | C | A | 0.0000 | |
| 1021 | C | A | -2.7375 | |
| 1022 | K | A | -3.2260 | |
| 1023 | A | A | -3.0454 | |
| 1024 | D | A | -3.2141 | |
| 1025 | D | A | -3.2531 | |
| 1026 | K | A | -3.2219 | |
| 1027 | E | A | -2.8324 | |
| 1028 | T | A | -2.0805 | |
| 1029 | C | A | -2.5349 | |
| 1030 | F | A | 0.0000 | |
| 1031 | A | A | -2.1417 | |
| 1032 | E | A | -3.0450 | |
| 1033 | E | A | -2.5143 | |
| 1034 | G | A | 0.0000 | |
| 1035 | K | A | -3.0810 | |
| 1036 | K | A | -2.9550 | |
| 1037 | L | A | -1.8076 | |
| 1038 | V | A | -1.2490 | |
| 1039 | A | A | -0.7756 | |
| 1040 | A | A | -0.7079 | |
| 1041 | S | A | 0.0000 | |
| 1042 | Q | A | 0.1201 | |
| 1043 | A | A | 0.2064 | |
| 1044 | A | A | 0.0267 | |
| 1045 | L | A | 0.0000 | |
| 1046 | G | A | 0.1344 | |
| 1047 | L | A | 0.9270 |
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 | -0.6515 | 6.071 | View | CSV | PDB |
| 4.5 | -0.7403 | 6.071 | View | CSV | PDB |
| 5.0 | -0.85 | 6.071 | View | CSV | PDB |
| 5.5 | -0.9596 | 6.071 | View | CSV | PDB |
| 6.0 | -1.0465 | 6.071 | View | CSV | PDB |
| 6.5 | -1.0944 | 6.071 | View | CSV | PDB |
| 7.0 | -1.1019 | 6.071 | View | CSV | PDB |
| 7.5 | -1.0807 | 6.0709 | View | CSV | PDB |
| 8.0 | -1.0432 | 6.0707 | View | CSV | PDB |
| 8.5 | -0.994 | 6.0701 | View | CSV | PDB |
| 9.0 | -0.933 | 6.0682 | 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