| Chain sequence(s) |
A: MEFGLSWVFLVALFRGVQCLNFRAPPVIPNVPFLWAWNAPSEFCLGKFDEPLDMSLFSFIGSPRINATGQGVTIFYVDRLGYYPYIDSITGVTVNGGIPQKISLQDHLDKAKKDITFYMPVDNLGMAVIDWEEWRPTWARNWKPKDVYKNRSIELVQQQNVQLSLTEATEKAKQEFEKAGKDFLVETIKLGKLLRPNHLWGYYLFPDCYNHHYKKPGYNGSCFNVEIKRNDDLSWLWNESTALYPSIYLNTQQSPVAATLYVRNRVREAIRVSKIPDAKSPLPVFAYTRIVFTDQVLKFLSQDELVYTFGETVALGASGIVIWGTLSIMRSMKSCLLLDNYMETILNPYIINVTLAAKMCSQVLCQEQGVCIRKNWNSSDYLHLNPDNFAIQLEKGGKFTVRGKPTLEDLEQFSEKFYCSCYSTLSCKEKADVKDTDAVDVCIADGVCIDAFLKPPMETEEPQIFYGGGGSGGGGSGGGGSDAHKSEVAHRFKDLGEENFKALVLIAFAQYLQQCPFEDHVKLVNEVTEFAKTCVADESAENCDKSLHTLFGDKLCTVATLRETYGEMADCCAKQEPERNECFLQHKDDNPNLPRLVRPEVDVMCTAFHDNEETFLKKYLYEIARRHPYFYAPELLFFAKRYKAAFTECCQAADKAACLLPKLDELRDEGKASSAKQRLKCASLQKFGERAFKAWAVARLSQRFPKAEFAEVSKLVTDLTKVHTECCHGDLLECADDRADLAKYICENQDSISSKLKECCEKPLLEKSHCIAEVENDEMPADLPSLAADFVESKDVCKNYAEAKDVFLGMFLYEYARRHPDYSVVLLLRLAKTYETTLEKCCAAADPHECYAKVFDEFKPLVEEPQNLIKQNCELFEQLGEYKFQNALLVRYTKKVPQVSTPTLVEVSRNLGKVGSKCCKHPEAKRMPCAEDYLSVVLNQLCVLHEKTPVSDRVTKCCTESLVNRRPCFSALEVDETYVPKEFNAETFTFHADICTLSEKERQIKKQTALVELVKHKPKATKEQLKAVMDDFAAFVEKCCKADDKETCFAEEGKKLVAASQAALGL
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 (00:28:40)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/36c8e29adab79f9/tmp/folded.pdb (00:28:40)
[INFO] Main: Simulation completed successfully. (00:33:36)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | M | A | 0.6048 | |
| 2 | E | A | -0.2389 | |
| 3 | F | A | 1.5693 | |
| 4 | G | A | 1.2563 | |
| 5 | L | A | 2.3864 | |
| 6 | S | A | 2.5213 | |
| 7 | W | A | 3.7560 | |
| 8 | V | A | 4.4020 | |
| 9 | F | A | 4.8189 | |
| 10 | L | A | 4.8367 | |
| 11 | V | A | 4.4703 | |
| 12 | A | A | 3.0853 | |
| 13 | L | A | 3.2776 | |
| 14 | F | A | 2.6737 | |
| 15 | R | A | -0.1146 | |
| 16 | G | A | 0.1059 | |
| 17 | V | A | 1.3812 | |
| 18 | Q | A | -0.2310 | |
| 19 | C | A | 0.8932 | |
| 20 | L | A | 0.6534 | |
| 21 | N | A | -0.2482 | |
| 22 | F | A | -0.1187 | |
| 23 | R | A | 0.0000 | |
| 24 | A | A | -0.2057 | |
| 25 | P | A | -0.0040 | |
| 26 | P | A | -0.0814 | |
| 27 | V | A | 0.3901 | |
| 28 | I | A | 0.2264 | |
| 29 | P | A | -0.5220 | |
| 30 | N | A | -1.3261 | |
| 31 | V | A | -0.0914 | |
| 32 | P | A | -0.4541 | |
| 33 | F | A | 0.0000 | |
| 34 | L | A | 0.0000 | |
| 35 | W | A | 0.0000 | |
| 36 | A | A | 0.0000 | |
| 37 | W | A | 0.0000 | |
| 38 | N | A | 0.0000 | |
| 39 | A | A | 0.0000 | |
| 40 | P | A | 0.0000 | |
| 41 | S | A | -0.1332 | |
| 42 | E | A | -0.9027 | |
| 43 | F | A | 1.0334 | |
| 44 | C | A | 0.0000 | |
| 45 | L | A | -0.6663 | |
| 46 | G | A | 0.0000 | |
| 47 | K | A | -1.4438 | |
| 48 | F | A | -0.1251 | |
| 49 | D | A | -1.9353 | |
| 50 | E | A | -2.5176 | |
| 51 | P | A | -1.4990 | |
| 52 | L | A | 0.0000 | |
| 53 | D | A | -1.2439 | |
| 54 | M | A | -0.1464 | |
| 55 | S | A | -0.7095 | |
| 56 | L | A | 0.0000 | |
| 57 | F | A | 0.0000 | |
| 58 | S | A | 0.2391 | |
| 59 | F | A | 0.0000 | |
| 60 | I | A | 1.0175 | |
| 61 | G | A | 0.0000 | |
| 62 | S | A | 0.0000 | |
| 63 | P | A | 0.0000 | |
| 64 | R | A | -0.6962 | |
| 65 | I | A | -0.4273 | |
| 66 | N | A | -0.9736 | |
| 67 | A | A | -0.4874 | |
| 68 | T | A | -0.0984 | |
| 69 | G | A | -0.2816 | |
| 70 | Q | A | -0.1295 | |
| 71 | G | A | -0.0209 | |
| 72 | V | A | 0.0000 | |
| 73 | T | A | 0.0000 | |
| 74 | I | A | 0.0000 | |
| 75 | F | A | 0.0000 | |
| 76 | Y | A | -0.1963 | |
| 77 | V | A | -0.4974 | |
| 78 | D | A | -1.4553 | |
| 79 | R | A | -0.7424 | |
| 80 | L | A | 0.0000 | |
| 81 | G | A | 0.0000 | |
| 82 | Y | A | -0.3859 | |
| 83 | Y | A | 0.0000 | |
| 84 | P | A | 0.0000 | |
| 85 | Y | A | 0.1985 | |
| 86 | I | A | 0.0000 | |
| 87 | D | A | 0.6497 | |
| 88 | S | A | 0.6523 | |
| 89 | I | A | 1.9144 | |
| 90 | T | A | 1.0616 | |
| 91 | G | A | 0.8296 | |
| 92 | V | A | 1.6240 | |
| 93 | T | A | 0.6474 | |
| 94 | V | A | 0.6421 | |
| 95 | N | A | -0.2037 | |
| 96 | G | A | -0.5396 | |
| 97 | G | A | 0.0000 | |
| 98 | I | A | 0.0000 | |
| 99 | P | A | 0.0000 | |
| 100 | Q | A | -1.4796 | |
| 101 | K | A | -1.7221 | |
| 102 | I | A | -1.0083 | |
| 103 | S | A | -1.1821 | |
| 104 | L | A | -1.1962 | |
| 105 | Q | A | -2.1694 | |
| 106 | D | A | -2.5927 | |
| 107 | H | A | 0.0000 | |
| 108 | L | A | -1.8747 | |
| 109 | D | A | -2.5318 | |
| 110 | K | A | -2.2043 | |
| 111 | A | A | 0.0000 | |
| 112 | K | A | -1.9376 | |
| 113 | K | A | -2.1672 | |
| 114 | D | A | -1.2487 | |
| 115 | I | A | 0.0000 | |
| 116 | T | A | -0.1508 | |
| 117 | F | A | 0.7259 | |
| 118 | Y | A | 0.0000 | |
| 119 | M | A | 0.0000 | |
| 120 | P | A | 0.5814 | |
| 121 | V | A | 0.9589 | |
| 122 | D | A | -0.7671 | |
| 123 | N | A | -1.3296 | |
| 124 | L | A | -0.4414 | |
| 125 | G | A | 0.0000 | |
| 126 | M | A | 0.0000 | |
| 127 | A | A | 0.0000 | |
| 128 | V | A | 0.0000 | |
| 129 | I | A | 0.0000 | |
| 130 | D | A | -0.1300 | |
| 131 | W | A | 0.0000 | |
| 132 | E | A | -0.5559 | |
| 133 | E | A | -0.7660 | |
| 134 | W | A | 0.0000 | |
| 135 | R | A | 0.0000 | |
| 136 | P | A | 0.0000 | |
| 137 | T | A | -0.7640 | |
| 138 | W | A | 0.0000 | |
| 139 | A | A | -0.1651 | |
| 140 | R | A | 0.0000 | |
| 141 | N | A | 0.0000 | |
| 142 | W | A | -0.6928 | |
| 143 | K | A | -1.8950 | |
| 144 | P | A | -1.5013 | |
| 145 | K | A | -1.4967 | |
| 146 | D | A | -1.7316 | |
| 147 | V | A | -1.0523 | |
| 148 | Y | A | 0.0000 | |
| 149 | K | A | -1.5103 | |
| 150 | N | A | -2.0838 | |
| 151 | R | A | -1.8087 | |
| 152 | S | A | 0.0000 | |
| 153 | I | A | -1.9817 | |
| 154 | E | A | -2.0931 | |
| 155 | L | A | -1.8440 | |
| 156 | V | A | 0.0000 | |
| 157 | Q | A | -1.5124 | |
| 158 | Q | A | -1.9667 | |
| 159 | Q | A | -1.9432 | |
| 160 | N | A | -1.1945 | |
| 161 | V | A | 0.2637 | |
| 162 | Q | A | -0.7640 | |
| 163 | L | A | -0.5421 | |
| 164 | S | A | 0.0336 | |
| 165 | L | A | 0.5171 | |
| 166 | T | A | -0.7260 | |
| 167 | E | A | -2.3215 | |
| 168 | A | A | 0.0000 | |
| 169 | T | A | -2.1264 | |
| 170 | E | A | -3.2470 | |
| 171 | K | A | -2.8945 | |
| 172 | A | A | 0.0000 | |
| 173 | K | A | -3.0014 | |
| 174 | Q | A | -3.3254 | |
| 175 | E | A | -3.0363 | |
| 176 | F | A | 0.0000 | |
| 177 | E | A | -2.3321 | |
| 178 | K | A | -2.9522 | |
| 179 | A | A | -1.9475 | |
| 180 | G | A | 0.0000 | |
| 181 | K | A | -1.6540 | |
| 182 | D | A | -1.3467 | |
| 183 | F | A | 0.0000 | |
| 184 | L | A | 0.0000 | |
| 185 | V | A | -1.0288 | |
| 186 | E | A | -1.5715 | |
| 187 | T | A | 0.0000 | |
| 188 | I | A | 0.0000 | |
| 189 | K | A | -1.1091 | |
| 190 | L | A | 0.0000 | |
| 191 | G | A | 0.0000 | |
| 192 | K | A | -0.4365 | |
| 193 | L | A | 0.8327 | |
| 194 | L | A | 0.3215 | |
| 195 | R | A | -0.4375 | |
| 196 | P | A | -0.9087 | |
| 197 | N | A | -1.4135 | |
| 198 | H | A | 0.0000 | |
| 199 | L | A | -0.1079 | |
| 200 | W | A | 0.0000 | |
| 201 | G | A | 0.0000 | |
| 202 | Y | A | 0.0000 | |
| 203 | Y | A | 0.1229 | |
| 204 | L | A | 0.1503 | |
| 205 | F | A | 0.0000 | |
| 206 | P | A | 0.0000 | |
| 207 | D | A | 0.0000 | |
| 208 | C | A | 0.0000 | |
| 209 | Y | A | 0.0346 | |
| 210 | N | A | 0.0000 | |
| 211 | H | A | -1.5815 | |
| 212 | H | A | -2.2388 | |
| 213 | Y | A | -1.8547 | |
| 214 | K | A | -2.8727 | |
| 215 | K | A | -2.8590 | |
| 216 | P | A | -2.1025 | |
| 217 | G | A | -1.4420 | |
| 218 | Y | A | -1.4581 | |
| 219 | N | A | -1.2977 | |
| 220 | G | A | 0.0000 | |
| 221 | S | A | -0.4495 | |
| 222 | C | A | 0.1209 | |
| 223 | F | A | 0.8676 | |
| 224 | N | A | -0.4960 | |
| 225 | V | A | 0.2483 | |
| 226 | E | A | 0.0000 | |
| 227 | I | A | -0.6584 | |
| 228 | K | A | -2.0537 | |
| 229 | R | A | -1.5886 | |
| 230 | N | A | 0.0000 | |
| 231 | D | A | -1.7066 | |
| 232 | D | A | -2.4707 | |
| 233 | L | A | 0.0000 | |
| 234 | S | A | -0.9381 | |
| 235 | W | A | -0.7078 | |
| 236 | L | A | 0.0000 | |
| 237 | W | A | 0.0000 | |
| 238 | N | A | -1.4469 | |
| 239 | E | A | -1.2016 | |
| 240 | S | A | 0.0000 | |
| 241 | T | A | -0.4161 | |
| 242 | A | A | 0.0000 | |
| 243 | L | A | 0.0000 | |
| 244 | Y | A | 0.0000 | |
| 245 | P | A | 0.0000 | |
| 246 | S | A | 0.0000 | |
| 247 | I | A | 0.0000 | |
| 248 | Y | A | 0.1673 | |
| 249 | L | A | 0.0000 | |
| 250 | N | A | -0.6396 | |
| 251 | T | A | -0.9093 | |
| 252 | Q | A | -1.2662 | |
| 253 | Q | A | 0.0000 | |
| 254 | S | A | -0.1139 | |
| 255 | P | A | 0.1896 | |
| 256 | V | A | 1.5648 | |
| 257 | A | A | 0.0000 | |
| 258 | A | A | 0.0000 | |
| 259 | T | A | 0.0000 | |
| 260 | L | A | 0.1704 | |
| 261 | Y | A | 0.0000 | |
| 262 | V | A | 0.0000 | |
| 263 | R | A | 0.0000 | |
| 264 | N | A | 0.0000 | |
| 265 | R | A | 0.0000 | |
| 266 | V | A | 0.0000 | |
| 267 | R | A | -0.6631 | |
| 268 | E | A | 0.0000 | |
| 269 | A | A | 0.0000 | |
| 270 | I | A | 0.0000 | |
| 271 | R | A | -0.6954 | |
| 272 | V | A | 0.0000 | |
| 273 | S | A | 0.0000 | |
| 274 | K | A | -1.2707 | |
| 275 | I | A | -0.6421 | |
| 276 | P | A | -1.2255 | |
| 277 | D | A | -1.9948 | |
| 278 | A | A | -1.4396 | |
| 279 | K | A | -1.9802 | |
| 280 | S | A | -1.3231 | |
| 281 | P | A | 0.0000 | |
| 282 | L | A | -0.4874 | |
| 283 | P | A | 0.0316 | |
| 284 | V | A | 0.0000 | |
| 285 | F | A | 0.0000 | |
| 286 | A | A | 0.0000 | |
| 287 | Y | A | 0.0000 | |
| 288 | T | A | 0.0000 | |
| 289 | R | A | 0.0000 | |
| 290 | I | A | 0.0000 | |
| 291 | V | A | 0.0000 | |
| 292 | F | A | 0.0000 | |
| 293 | T | A | -0.3307 | |
| 294 | D | A | -0.9301 | |
| 295 | Q | A | -0.4790 | |
| 296 | V | A | 0.5982 | |
| 297 | L | A | 1.0806 | |
| 298 | K | A | -0.2969 | |
| 299 | F | A | 0.2199 | |
| 300 | L | A | 0.0000 | |
| 301 | S | A | -1.2351 | |
| 302 | Q | A | -1.8371 | |
| 303 | D | A | -2.4048 | |
| 304 | E | A | -1.4554 | |
| 305 | L | A | 0.0000 | |
| 306 | V | A | -0.7728 | |
| 307 | Y | A | -0.1961 | |
| 308 | T | A | 0.0000 | |
| 309 | F | A | 0.0000 | |
| 310 | G | A | 0.0000 | |
| 311 | E | A | 0.0000 | |
| 312 | T | A | 0.0000 | |
| 313 | V | A | 0.0000 | |
| 314 | A | A | 0.0000 | |
| 315 | L | A | 0.0000 | |
| 316 | G | A | 0.0000 | |
| 317 | A | A | 0.0000 | |
| 318 | S | A | 0.0844 | |
| 319 | G | A | 0.0000 | |
| 320 | I | A | 0.0000 | |
| 321 | V | A | 0.0000 | |
| 322 | I | A | 0.0000 | |
| 323 | W | A | 0.1931 | |
| 324 | G | A | 0.0000 | |
| 325 | T | A | -0.0254 | |
| 326 | L | A | 0.0508 | |
| 327 | S | A | 0.2374 | |
| 328 | I | A | 0.0000 | |
| 329 | M | A | 0.0000 | |
| 330 | R | A | -0.5224 | |
| 331 | S | A | -0.1521 | |
| 332 | M | A | 0.0670 | |
| 333 | K | A | -1.0139 | |
| 334 | S | A | -0.1935 | |
| 335 | C | A | 0.0000 | |
| 336 | L | A | -0.1843 | |
| 337 | L | A | 0.3365 | |
| 338 | L | A | 0.0000 | |
| 339 | D | A | 0.0000 | |
| 340 | N | A | -1.2141 | |
| 341 | Y | A | 0.0000 | |
| 342 | M | A | 0.0000 | |
| 343 | E | A | -1.3201 | |
| 344 | T | A | -0.7370 | |
| 345 | I | A | -0.2802 | |
| 346 | L | A | 0.0000 | |
| 347 | N | A | 0.0000 | |
| 348 | P | A | -0.2748 | |
| 349 | Y | A | 0.0000 | |
| 350 | I | A | 0.0000 | |
| 351 | I | A | 0.0000 | |
| 352 | N | A | -0.2956 | |
| 353 | V | A | 0.0000 | |
| 354 | T | A | 0.0000 | |
| 355 | L | A | 0.0000 | |
| 356 | A | A | 0.0000 | |
| 357 | A | A | -0.1539 | |
| 358 | K | A | -0.8855 | |
| 359 | M | A | 0.0000 | |
| 360 | C | A | 0.0000 | |
| 361 | S | A | 0.0000 | |
| 362 | Q | A | -1.7153 | |
| 363 | V | A | 0.0000 | |
| 364 | L | A | 0.0000 | |
| 365 | C | A | 0.0000 | |
| 366 | Q | A | -2.5563 | |
| 367 | E | A | -2.7085 | |
| 368 | Q | A | -1.7889 | |
| 369 | G | A | 0.0000 | |
| 370 | V | A | -0.3337 | |
| 371 | C | A | 0.0000 | |
| 372 | I | A | 0.0000 | |
| 373 | R | A | 0.0000 | |
| 374 | K | A | -2.6008 | |
| 375 | N | A | -2.1995 | |
| 376 | W | A | -1.0767 | |
| 377 | N | A | -1.3486 | |
| 378 | S | A | -1.1904 | |
| 379 | S | A | -0.6297 | |
| 380 | D | A | -1.0317 | |
| 381 | Y | A | -0.0948 | |
| 382 | L | A | 0.0000 | |
| 383 | H | A | -0.4077 | |
| 384 | L | A | 0.0000 | |
| 385 | N | A | -1.4141 | |
| 386 | P | A | -1.4308 | |
| 387 | D | A | -2.3710 | |
| 388 | N | A | -2.1986 | |
| 389 | F | A | 0.0000 | |
| 390 | A | A | -1.4465 | |
| 391 | I | A | -0.7684 | |
| 392 | Q | A | -1.8149 | |
| 393 | L | A | -1.5397 | |
| 394 | E | A | -2.7339 | |
| 395 | K | A | -2.8960 | |
| 396 | G | A | -2.0944 | |
| 397 | G | A | -2.5423 | |
| 398 | K | A | -2.8212 | |
| 399 | F | A | 0.0000 | |
| 400 | T | A | -1.5262 | |
| 401 | V | A | 0.0000 | |
| 402 | R | A | -2.7173 | |
| 403 | G | A | -2.7024 | |
| 404 | K | A | -2.4352 | |
| 405 | P | A | 0.0000 | |
| 406 | T | A | -1.0346 | |
| 407 | L | A | -2.1231 | |
| 408 | E | A | -2.6694 | |
| 409 | D | A | 0.0000 | |
| 410 | L | A | 0.0000 | |
| 411 | E | A | -3.5297 | |
| 412 | Q | A | -2.8559 | |
| 413 | F | A | 0.0000 | |
| 414 | S | A | -2.6274 | |
| 415 | E | A | -3.0118 | |
| 416 | K | A | -2.5479 | |
| 417 | F | A | 0.0000 | |
| 418 | Y | A | -0.9416 | |
| 419 | C | A | 0.0000 | |
| 420 | S | A | 0.0000 | |
| 421 | C | A | 0.0000 | |
| 422 | Y | A | 0.0000 | |
| 423 | S | A | 0.0000 | |
| 424 | T | A | -0.0169 | |
| 425 | L | A | 0.3908 | |
| 426 | S | A | -0.1537 | |
| 427 | C | A | -1.4090 | |
| 428 | K | A | -2.5522 | |
| 429 | E | A | -2.6304 | |
| 430 | K | A | -2.5461 | |
| 431 | A | A | -1.9885 | |
| 432 | D | A | -3.1469 | |
| 433 | V | A | 0.0000 | |
| 434 | K | A | -3.8085 | |
| 435 | D | A | -3.5863 | |
| 436 | T | A | 0.0000 | |
| 437 | D | A | -2.1536 | |
| 438 | A | A | -1.2273 | |
| 439 | V | A | 0.0000 | |
| 440 | D | A | -2.2022 | |
| 441 | V | A | 0.0000 | |
| 442 | C | A | -0.6746 | |
| 443 | I | A | -0.0658 | |
| 444 | A | A | -0.7416 | |
| 445 | D | A | -2.0397 | |
| 446 | G | A | -1.3965 | |
| 447 | V | A | 0.0000 | |
| 448 | C | A | -1.1617 | |
| 449 | I | A | 0.0000 | |
| 450 | D | A | -2.5456 | |
| 451 | A | A | -1.1369 | |
| 452 | F | A | 0.4082 | |
| 453 | L | A | -0.6186 | |
| 454 | K | A | -0.9398 | |
| 455 | P | A | -0.5159 | |
| 456 | P | A | -0.4541 | |
| 457 | M | A | -0.3910 | |
| 458 | E | A | -2.0434 | |
| 459 | T | A | -1.9749 | |
| 460 | E | A | -3.0966 | |
| 461 | E | A | -3.3052 | |
| 462 | P | A | -1.7487 | |
| 463 | Q | A | -0.2104 | |
| 464 | I | A | 2.5318 | |
| 465 | F | A | 3.1705 | |
| 466 | Y | A | 2.2722 | |
| 467 | G | A | 0.3903 | |
| 468 | G | A | -0.7770 | |
| 469 | G | A | -1.1013 | |
| 470 | G | A | -1.0094 | |
| 471 | S | A | -0.9131 | |
| 472 | G | A | -1.0196 | |
| 473 | G | A | -1.1029 | |
| 474 | G | A | -1.1061 | |
| 475 | G | A | -1.0074 | |
| 476 | S | A | -0.9027 | |
| 477 | G | A | -1.0533 | |
| 478 | G | A | -1.1174 | |
| 479 | G | A | -1.3242 | |
| 480 | G | A | -1.4626 | |
| 481 | S | A | -1.5619 | |
| 482 | D | A | -2.5249 | |
| 483 | A | A | -1.6983 | |
| 484 | H | A | -2.6310 | |
| 485 | K | A | -3.4064 | |
| 486 | S | A | 0.0000 | |
| 487 | E | A | -1.7833 | |
| 488 | V | A | 0.0000 | |
| 489 | A | A | 0.0000 | |
| 490 | H | A | -1.8591 | |
| 491 | R | A | 0.0000 | |
| 492 | F | A | 0.0000 | |
| 493 | K | A | -2.8561 | |
| 494 | D | A | -2.8776 | |
| 495 | L | A | -2.1153 | |
| 496 | G | A | -2.3424 | |
| 497 | E | A | -2.8495 | |
| 498 | E | A | -2.7057 | |
| 499 | N | A | -2.0095 | |
| 500 | F | A | 0.0000 | |
| 501 | K | A | -1.8243 | |
| 502 | A | A | -1.1271 | |
| 503 | L | A | 0.0000 | |
| 504 | V | A | 0.0000 | |
| 505 | L | A | 0.0000 | |
| 506 | I | A | 0.0000 | |
| 507 | A | A | 0.0000 | |
| 508 | F | A | 0.0000 | |
| 509 | A | A | 0.0000 | |
| 510 | Q | A | 0.0000 | |
| 511 | Y | A | 0.0000 | |
| 512 | L | A | 0.0000 | |
| 513 | Q | A | 0.0000 | |
| 514 | Q | A | -1.2696 | |
| 515 | C | A | 0.0000 | |
| 516 | P | A | -1.2520 | |
| 517 | F | A | -1.6719 | |
| 518 | E | A | -2.7050 | |
| 519 | D | A | -2.4005 | |
| 520 | H | A | 0.0000 | |
| 521 | V | A | -2.0927 | |
| 522 | K | A | -3.0452 | |
| 523 | L | A | 0.0000 | |
| 524 | V | A | 0.0000 | |
| 525 | N | A | -2.8614 | |
| 526 | E | A | -2.7355 | |
| 527 | V | A | 0.0000 | |
| 528 | T | A | 0.0000 | |
| 529 | E | A | -2.8373 | |
| 530 | F | A | -1.7198 | |
| 531 | A | A | 0.0000 | |
| 532 | K | A | -2.3234 | |
| 533 | T | A | -1.6600 | |
| 534 | C | A | 0.0000 | |
| 535 | V | A | -1.2878 | |
| 536 | A | A | -1.0027 | |
| 537 | D | A | -2.4034 | |
| 538 | E | A | -2.8757 | |
| 539 | S | A | -2.2098 | |
| 540 | A | A | -2.0299 | |
| 541 | E | A | -2.8210 | |
| 542 | N | A | -2.3588 | |
| 543 | C | A | 0.0000 | |
| 544 | D | A | -3.5193 | |
| 545 | K | A | -2.4803 | |
| 546 | S | A | -1.4986 | |
| 547 | L | A | 0.0000 | |
| 548 | H | A | -0.7239 | |
| 549 | T | A | -0.8903 | |
| 550 | L | A | 0.0000 | |
| 551 | F | A | -0.3211 | |
| 552 | G | A | 0.0000 | |
| 553 | D | A | -0.8593 | |
| 554 | K | A | -0.6732 | |
| 555 | L | A | 0.0000 | |
| 556 | C | A | -0.3978 | |
| 557 | T | A | -0.1009 | |
| 558 | V | A | -0.3165 | |
| 559 | A | A | -0.4607 | |
| 560 | T | A | -1.1380 | |
| 561 | L | A | 0.0000 | |
| 562 | R | A | -3.4072 | |
| 563 | E | A | -2.9682 | |
| 564 | T | A | -1.8651 | |
| 565 | Y | A | -1.9374 | |
| 566 | G | A | -2.6105 | |
| 567 | E | A | -3.1029 | |
| 568 | M | A | 0.0000 | |
| 569 | A | A | -2.3975 | |
| 570 | D | A | -2.7868 | |
| 571 | C | A | 0.0000 | |
| 572 | C | A | -1.3363 | |
| 573 | A | A | -1.3034 | |
| 574 | K | A | -2.5575 | |
| 575 | Q | A | -2.2672 | |
| 576 | E | A | -2.0630 | |
| 577 | P | A | -1.9974 | |
| 578 | E | A | -2.4551 | |
| 579 | R | A | 0.0000 | |
| 580 | N | A | -1.9788 | |
| 581 | E | A | -2.7779 | |
| 582 | C | A | -2.3110 | |
| 583 | F | A | 0.0000 | |
| 584 | L | A | -1.4096 | |
| 585 | Q | A | -1.7996 | |
| 586 | H | A | -1.5210 | |
| 587 | K | A | 0.0000 | |
| 588 | D | A | -1.7682 | |
| 589 | D | A | -1.7855 | |
| 590 | N | A | -2.1593 | |
| 591 | P | A | -1.7568 | |
| 592 | N | A | -2.0753 | |
| 593 | L | A | -1.2938 | |
| 594 | P | A | -0.8361 | |
| 595 | R | A | -1.3588 | |
| 596 | L | A | 0.3385 | |
| 597 | V | A | 0.5216 | |
| 598 | R | A | -1.2246 | |
| 599 | P | A | -1.2366 | |
| 600 | E | A | -2.1323 | |
| 601 | V | A | -1.5131 | |
| 602 | D | A | -1.7578 | |
| 603 | V | A | -0.3239 | |
| 604 | M | A | 0.0000 | |
| 605 | C | A | 0.0000 | |
| 606 | T | A | -1.0958 | |
| 607 | A | A | -1.1260 | |
| 608 | F | A | 0.0000 | |
| 609 | H | A | -2.4939 | |
| 610 | D | A | -3.0335 | |
| 611 | N | A | -2.8297 | |
| 612 | E | A | -2.8082 | |
| 613 | E | A | -2.9216 | |
| 614 | T | A | -1.7348 | |
| 615 | F | A | -1.5836 | |
| 616 | L | A | -1.4137 | |
| 617 | K | A | -1.2506 | |
| 618 | K | A | -1.3399 | |
| 619 | Y | A | -0.3159 | |
| 620 | L | A | 0.0000 | |
| 621 | Y | A | 0.0000 | |
| 622 | E | A | -0.1571 | |
| 623 | I | A | -0.2040 | |
| 624 | A | A | 0.0000 | |
| 625 | R | A | 0.0000 | |
| 626 | R | A | -0.8864 | |
| 627 | H | A | -0.7468 | |
| 628 | P | A | 0.0000 | |
| 629 | Y | A | -0.3038 | |
| 630 | F | A | 0.0000 | |
| 631 | Y | A | -0.0647 | |
| 632 | A | A | 0.0000 | |
| 633 | P | A | 0.0000 | |
| 634 | E | A | -0.4679 | |
| 635 | L | A | 0.0000 | |
| 636 | L | A | 0.0000 | |
| 637 | F | A | 0.0000 | |
| 638 | F | A | 0.0000 | |
| 639 | A | A | 0.0000 | |
| 640 | K | A | -2.1816 | |
| 641 | R | A | -1.5773 | |
| 642 | Y | A | -1.1125 | |
| 643 | K | A | -1.7962 | |
| 644 | A | A | -1.4122 | |
| 645 | A | A | 0.0000 | |
| 646 | F | A | 0.0000 | |
| 647 | T | A | -1.5564 | |
| 648 | E | A | -2.3112 | |
| 649 | C | A | 0.0000 | |
| 650 | C | A | 0.0000 | |
| 651 | Q | A | -2.0722 | |
| 652 | A | A | -1.7109 | |
| 653 | A | A | -1.2166 | |
| 654 | D | A | -2.1776 | |
| 655 | K | A | -2.0926 | |
| 656 | A | A | -1.1102 | |
| 657 | A | A | -0.5717 | |
| 658 | C | A | -0.9341 | |
| 659 | L | A | 0.0000 | |
| 660 | L | A | -0.5628 | |
| 661 | P | A | -1.2232 | |
| 662 | K | A | -1.6960 | |
| 663 | L | A | -2.1754 | |
| 664 | D | A | -3.3311 | |
| 665 | E | A | -4.0580 | |
| 666 | L | A | 0.0000 | |
| 667 | R | A | -4.1311 | |
| 668 | D | A | -4.4060 | |
| 669 | E | A | -3.3801 | |
| 670 | G | A | -2.8123 | |
| 671 | K | A | -3.1090 | |
| 672 | A | A | -1.9863 | |
| 673 | S | A | -1.5503 | |
| 674 | S | A | 0.0000 | |
| 675 | A | A | -1.1982 | |
| 676 | K | A | -1.4890 | |
| 677 | Q | A | 0.0000 | |
| 678 | R | A | -0.8663 | |
| 679 | L | A | 0.0000 | |
| 680 | K | A | -1.1075 | |
| 681 | C | A | 0.0000 | |
| 682 | A | A | 0.0000 | |
| 683 | S | A | 0.0000 | |
| 684 | L | A | 0.0000 | |
| 685 | Q | A | -2.2372 | |
| 686 | K | A | -2.1190 | |
| 687 | F | A | -1.3175 | |
| 688 | G | A | -1.7563 | |
| 689 | E | A | -2.4675 | |
| 690 | R | A | -1.9884 | |
| 691 | A | A | -1.1499 | |
| 692 | F | A | 0.0000 | |
| 693 | K | A | -1.5966 | |
| 694 | A | A | -1.0671 | |
| 695 | W | A | -0.6076 | |
| 696 | A | A | 0.0000 | |
| 697 | V | A | 0.0000 | |
| 698 | A | A | 0.0000 | |
| 699 | R | A | -0.8519 | |
| 700 | L | A | 0.0000 | |
| 701 | S | A | 0.0000 | |
| 702 | Q | A | 0.0000 | |
| 703 | R | A | -2.1199 | |
| 704 | F | A | 0.0000 | |
| 705 | P | A | 0.0000 | |
| 706 | K | A | -2.0195 | |
| 707 | A | A | 0.0000 | |
| 708 | E | A | -2.0769 | |
| 709 | F | A | -0.8547 | |
| 710 | A | A | -0.4996 | |
| 711 | E | A | -1.0939 | |
| 712 | V | A | 0.0000 | |
| 713 | S | A | -0.7803 | |
| 714 | K | A | -0.7984 | |
| 715 | L | A | 0.0000 | |
| 716 | V | A | 0.0000 | |
| 717 | T | A | -1.1095 | |
| 718 | D | A | -1.0937 | |
| 719 | L | A | -0.5567 | |
| 720 | T | A | 0.0000 | |
| 721 | K | A | -1.3050 | |
| 722 | V | A | 0.0000 | |
| 723 | H | A | 0.0000 | |
| 724 | T | A | -1.1145 | |
| 725 | E | A | -1.0082 | |
| 726 | C | A | 0.0000 | |
| 727 | C | A | 0.0000 | |
| 728 | H | A | -1.1658 | |
| 729 | G | A | -0.7385 | |
| 730 | D | A | -0.7473 | |
| 731 | L | A | 0.0000 | |
| 732 | L | A | 0.0000 | |
| 733 | E | A | -1.1752 | |
| 734 | C | A | 0.0000 | |
| 735 | A | A | 0.0000 | |
| 736 | D | A | -1.4757 | |
| 737 | D | A | -1.8558 | |
| 738 | R | A | 0.0000 | |
| 739 | A | A | -1.5710 | |
| 740 | D | A | -2.5595 | |
| 741 | L | A | 0.0000 | |
| 742 | A | A | 0.0000 | |
| 743 | K | A | -2.6747 | |
| 744 | Y | A | -1.7840 | |
| 745 | I | A | 0.0000 | |
| 746 | C | A | -2.4802 | |
| 747 | E | A | -2.6544 | |
| 748 | N | A | -2.0795 | |
| 749 | Q | A | -2.4353 | |
| 750 | D | A | -2.8354 | |
| 751 | S | A | -2.0228 | |
| 752 | I | A | 0.0000 | |
| 753 | S | A | 0.0000 | |
| 754 | S | A | -2.1425 | |
| 755 | K | A | -2.7049 | |
| 756 | L | A | 0.0000 | |
| 757 | K | A | -3.5698 | |
| 758 | E | A | -3.4794 | |
| 759 | C | A | 0.0000 | |
| 760 | C | A | -2.8059 | |
| 761 | E | A | -3.1698 | |
| 762 | K | A | -2.3612 | |
| 763 | P | A | -0.8681 | |
| 764 | L | A | -0.3831 | |
| 765 | L | A | -0.3750 | |
| 766 | E | A | -1.4252 | |
| 767 | K | A | 0.0000 | |
| 768 | S | A | -0.9235 | |
| 769 | H | A | -0.9164 | |
| 770 | C | A | -1.3329 | |
| 771 | I | A | 0.0000 | |
| 772 | A | A | -1.2519 | |
| 773 | E | A | -2.4522 | |
| 774 | V | A | 0.0000 | |
| 775 | E | A | -3.2828 | |
| 776 | N | A | -3.1269 | |
| 777 | D | A | 0.0000 | |
| 778 | E | A | -2.5567 | |
| 779 | M | A | -1.3417 | |
| 780 | P | A | -1.0883 | |
| 781 | A | A | -0.9511 | |
| 782 | D | A | -1.6882 | |
| 783 | L | A | -0.7732 | |
| 784 | P | A | -0.8753 | |
| 785 | S | A | -0.9185 | |
| 786 | L | A | -0.6686 | |
| 787 | A | A | -0.9972 | |
| 788 | A | A | -1.7540 | |
| 789 | D | A | -2.7649 | |
| 790 | F | A | 0.0000 | |
| 791 | V | A | 0.0000 | |
| 792 | E | A | -3.1390 | |
| 793 | S | A | -3.0583 | |
| 794 | K | A | -3.5064 | |
| 795 | D | A | -3.5836 | |
| 796 | V | A | 0.0000 | |
| 797 | C | A | -1.7064 | |
| 798 | K | A | -2.4943 | |
| 799 | N | A | -1.8938 | |
| 800 | Y | A | 0.0000 | |
| 801 | A | A | -1.1374 | |
| 802 | E | A | -0.8654 | |
| 803 | A | A | -0.8178 | |
| 804 | K | A | -1.3486 | |
| 805 | D | A | -1.7582 | |
| 806 | V | A | -0.3073 | |
| 807 | F | A | 0.0000 | |
| 808 | L | A | 0.0000 | |
| 809 | G | A | -0.3721 | |
| 810 | M | A | 0.1252 | |
| 811 | F | A | 0.0000 | |
| 812 | L | A | 0.0000 | |
| 813 | Y | A | 0.0000 | |
| 814 | E | A | -0.3796 | |
| 815 | Y | A | -0.0930 | |
| 816 | A | A | 0.0000 | |
| 817 | R | A | -1.0314 | |
| 818 | R | A | -0.5998 | |
| 819 | H | A | -0.5478 | |
| 820 | P | A | -1.2930 | |
| 821 | D | A | -1.5200 | |
| 822 | Y | A | -0.5653 | |
| 823 | S | A | 0.0000 | |
| 824 | V | A | 0.0000 | |
| 825 | V | A | 0.0000 | |
| 826 | L | A | 0.0000 | |
| 827 | L | A | 0.0000 | |
| 828 | L | A | 0.0000 | |
| 829 | R | A | 0.0000 | |
| 830 | L | A | 0.0000 | |
| 831 | A | A | -0.6558 | |
| 832 | K | A | -1.3464 | |
| 833 | T | A | -0.9257 | |
| 834 | Y | A | 0.0000 | |
| 835 | E | A | -1.4899 | |
| 836 | T | A | -1.3568 | |
| 837 | T | A | 0.0000 | |
| 838 | L | A | 0.0000 | |
| 839 | E | A | -2.0155 | |
| 840 | K | A | -2.2175 | |
| 841 | C | A | 0.0000 | |
| 842 | C | A | -1.1068 | |
| 843 | A | A | -0.8485 | |
| 844 | A | A | -1.2114 | |
| 845 | A | A | -0.9997 | |
| 846 | D | A | -2.3243 | |
| 847 | P | A | -2.0080 | |
| 848 | H | A | -2.7195 | |
| 849 | E | A | -2.8731 | |
| 850 | C | A | -1.8152 | |
| 851 | Y | A | 0.0000 | |
| 852 | A | A | -1.9607 | |
| 853 | K | A | -2.6351 | |
| 854 | V | A | 0.0000 | |
| 855 | F | A | -1.5681 | |
| 856 | D | A | -3.1338 | |
| 857 | E | A | -2.6505 | |
| 858 | F | A | 0.0000 | |
| 859 | K | A | -2.9662 | |
| 860 | P | A | -2.2467 | |
| 861 | L | A | -1.4096 | |
| 862 | V | A | -1.6843 | |
| 863 | E | A | -2.9323 | |
| 864 | E | A | -2.2297 | |
| 865 | P | A | 0.0000 | |
| 866 | Q | A | -2.4510 | |
| 867 | N | A | -2.5190 | |
| 868 | L | A | -1.5618 | |
| 869 | I | A | 0.0000 | |
| 870 | K | A | -2.7744 | |
| 871 | Q | A | -2.4946 | |
| 872 | N | A | -1.8779 | |
| 873 | C | A | 0.0000 | |
| 874 | E | A | -3.1987 | |
| 875 | L | A | -2.1262 | |
| 876 | F | A | -2.1958 | |
| 877 | E | A | -3.1235 | |
| 878 | Q | A | -2.5372 | |
| 879 | L | A | -1.5872 | |
| 880 | G | A | -1.5195 | |
| 881 | E | A | -1.6532 | |
| 882 | Y | A | -1.0903 | |
| 883 | K | A | -1.6402 | |
| 884 | F | A | 0.0000 | |
| 885 | Q | A | 0.0000 | |
| 886 | N | A | -1.0429 | |
| 887 | A | A | -0.8202 | |
| 888 | L | A | 0.0000 | |
| 889 | L | A | 0.0000 | |
| 890 | V | A | 0.0000 | |
| 891 | R | A | -1.0389 | |
| 892 | Y | A | -0.5397 | |
| 893 | T | A | 0.0000 | |
| 894 | K | A | -1.1991 | |
| 895 | K | A | -1.0309 | |
| 896 | V | A | 0.0000 | |
| 897 | P | A | 0.0000 | |
| 898 | Q | A | -0.3409 | |
| 899 | V | A | 0.0000 | |
| 900 | S | A | -0.2546 | |
| 901 | T | A | 0.0000 | |
| 902 | P | A | -0.5546 | |
| 903 | T | A | -0.6043 | |
| 904 | L | A | 0.0000 | |
| 905 | V | A | 0.0000 | |
| 906 | E | A | -1.3014 | |
| 907 | V | A | 0.0000 | |
| 908 | S | A | 0.0000 | |
| 909 | R | A | -0.8461 | |
| 910 | N | A | -0.7513 | |
| 911 | L | A | 0.0000 | |
| 912 | G | A | 0.0000 | |
| 913 | K | A | -1.0579 | |
| 914 | V | A | 0.0000 | |
| 915 | G | A | 0.0000 | |
| 916 | S | A | -1.5571 | |
| 917 | K | A | -1.5396 | |
| 918 | C | A | 0.0000 | |
| 919 | C | A | 0.0000 | |
| 920 | K | A | -2.7714 | |
| 921 | H | A | -2.2762 | |
| 922 | P | A | -2.2121 | |
| 923 | E | A | -3.0994 | |
| 924 | A | A | -2.0389 | |
| 925 | K | A | -2.6722 | |
| 926 | R | A | -2.4053 | |
| 927 | M | A | 0.0000 | |
| 928 | P | A | -0.8124 | |
| 929 | C | A | -0.5420 | |
| 930 | A | A | 0.0000 | |
| 931 | E | A | 0.0000 | |
| 932 | D | A | -0.1421 | |
| 933 | Y | A | -0.1482 | |
| 934 | L | A | 0.0720 | |
| 935 | S | A | -0.1858 | |
| 936 | V | A | 0.0000 | |
| 937 | V | A | 0.0000 | |
| 938 | L | A | 0.0000 | |
| 939 | N | A | 0.0000 | |
| 940 | Q | A | -0.5553 | |
| 941 | L | A | 0.0000 | |
| 942 | C | A | 0.0000 | |
| 943 | V | A | -1.0040 | |
| 944 | L | A | -1.1495 | |
| 945 | H | A | 0.0000 | |
| 946 | E | A | -2.1967 | |
| 947 | K | A | -2.5832 | |
| 948 | T | A | -1.1914 | |
| 949 | P | A | -1.0735 | |
| 950 | V | A | -0.1640 | |
| 951 | S | A | 0.0000 | |
| 952 | D | A | -2.3345 | |
| 953 | R | A | -1.7228 | |
| 954 | V | A | 0.0000 | |
| 955 | T | A | -2.1239 | |
| 956 | K | A | -2.8776 | |
| 957 | C | A | 0.0000 | |
| 958 | C | A | 0.0000 | |
| 959 | T | A | -1.8857 | |
| 960 | E | A | -2.3873 | |
| 961 | S | A | -1.3893 | |
| 962 | L | A | -0.5743 | |
| 963 | V | A | 0.0000 | |
| 964 | N | A | -0.9238 | |
| 965 | R | A | 0.0000 | |
| 966 | R | A | 0.0000 | |
| 967 | P | A | -0.2557 | |
| 968 | C | A | -0.5352 | |
| 969 | F | A | 0.0000 | |
| 970 | S | A | -0.2513 | |
| 971 | A | A | -0.2652 | |
| 972 | L | A | -0.7317 | |
| 973 | E | A | -1.9024 | |
| 974 | V | A | -1.2597 | |
| 975 | D | A | 0.0000 | |
| 976 | E | A | -1.8942 | |
| 977 | T | A | -0.3738 | |
| 978 | Y | A | 0.1506 | |
| 979 | V | A | 0.8568 | |
| 980 | P | A | -0.5808 | |
| 981 | K | A | -1.8038 | |
| 982 | E | A | -2.0715 | |
| 983 | F | A | -1.1729 | |
| 984 | N | A | -1.6451 | |
| 985 | A | A | -1.3843 | |
| 986 | E | A | -1.8813 | |
| 987 | T | A | -0.9378 | |
| 988 | F | A | -0.6325 | |
| 989 | T | A | -1.0343 | |
| 990 | F | A | -1.0566 | |
| 991 | H | A | -1.8432 | |
| 992 | A | A | -1.9590 | |
| 993 | D | A | -2.2089 | |
| 994 | I | A | 0.0000 | |
| 995 | C | A | -1.4036 | |
| 996 | T | A | -0.7994 | |
| 997 | L | A | -1.3593 | |
| 998 | S | A | -1.6703 | |
| 999 | E | A | -2.9935 | |
| 1000 | K | A | -2.8773 | |
| 1001 | E | A | -2.2617 | |
| 1002 | R | A | -2.2587 | |
| 1003 | Q | A | -1.9071 | |
| 1004 | I | A | -1.4008 | |
| 1005 | K | A | -1.6013 | |
| 1006 | K | A | -1.0111 | |
| 1007 | Q | A | 0.0000 | |
| 1008 | T | A | -0.6063 | |
| 1009 | A | A | 0.0000 | |
| 1010 | L | A | 0.0000 | |
| 1011 | V | A | 0.0000 | |
| 1012 | E | A | -0.4126 | |
| 1013 | L | A | 0.0000 | |
| 1014 | V | A | 0.0000 | |
| 1015 | K | A | 0.0000 | |
| 1016 | H | A | 0.0000 | |
| 1017 | K | A | -0.9896 | |
| 1018 | P | A | 0.0000 | |
| 1019 | K | A | -2.2596 | |
| 1020 | A | A | 0.0000 | |
| 1021 | T | A | -2.2459 | |
| 1022 | K | A | -3.2579 | |
| 1023 | E | A | -3.2711 | |
| 1024 | Q | A | -2.4864 | |
| 1025 | L | A | 0.0000 | |
| 1026 | K | A | -3.1077 | |
| 1027 | A | A | -2.3469 | |
| 1028 | V | A | 0.0000 | |
| 1029 | M | A | -1.8274 | |
| 1030 | D | A | -2.5537 | |
| 1031 | D | A | -2.7160 | |
| 1032 | F | A | 0.0000 | |
| 1033 | A | A | -1.6623 | |
| 1034 | A | A | -1.8527 | |
| 1035 | F | A | 0.0000 | |
| 1036 | V | A | 0.0000 | |
| 1037 | E | A | -2.9068 | |
| 1038 | K | A | -2.7059 | |
| 1039 | C | A | 0.0000 | |
| 1040 | C | A | -2.7021 | |
| 1041 | K | A | -3.1824 | |
| 1042 | A | A | -3.0128 | |
| 1043 | D | A | -3.2005 | |
| 1044 | D | A | -3.2295 | |
| 1045 | K | A | -3.2126 | |
| 1046 | E | A | -2.8329 | |
| 1047 | T | A | -2.1252 | |
| 1048 | C | A | -2.5821 | |
| 1049 | F | A | 0.0000 | |
| 1050 | A | A | -2.1663 | |
| 1051 | E | A | -3.1420 | |
| 1052 | E | A | -2.6958 | |
| 1053 | G | A | -2.1966 | |
| 1054 | K | A | -3.1133 | |
| 1055 | K | A | -3.0163 | |
| 1056 | L | A | -1.8608 | |
| 1057 | V | A | -0.9423 | |
| 1058 | A | A | -0.7868 | |
| 1059 | A | A | -0.8830 | |
| 1060 | S | A | 0.0000 | |
| 1061 | Q | A | 0.0693 | |
| 1062 | A | A | 0.2044 | |
| 1063 | A | A | 0.0310 | |
| 1064 | L | A | 0.0000 | |
| 1065 | G | A | 0.1657 | |
| 1066 | L | A | 1.0321 |
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 | -0.5364 | 7.7588 | View | CSV | PDB |
| 4.5 | -0.6249 | 7.7588 | View | CSV | PDB |
| 5.0 | -0.7349 | 7.7588 | View | CSV | PDB |
| 5.5 | -0.8458 | 7.7588 | View | CSV | PDB |
| 6.0 | -0.9351 | 7.7588 | View | CSV | PDB |
| 6.5 | -0.9866 | 7.7588 | View | CSV | PDB |
| 7.0 | -0.9983 | 7.7588 | View | CSV | PDB |
| 7.5 | -0.9819 | 7.7588 | View | CSV | PDB |
| 8.0 | -0.9497 | 7.7588 | View | CSV | PDB |
| 8.5 | -0.9065 | 7.7588 | View | CSV | PDB |
| 9.0 | -0.8518 | 7.7588 | 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