| 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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:11)
[INFO] FoldX: Starting FoldX energy minimization (00:00:11)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:39:54)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/fc9282ce83904d6/tmp/folded.pdb (00:39:54)
[INFO] Main: Simulation completed successfully. (00:54:03)
|
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 | 0.6273 | |
| 2 | E | A | -0.2535 | |
| 3 | F | A | 1.5981 | |
| 4 | G | A | 1.3015 | |
| 5 | L | A | 2.4749 | |
| 6 | S | A | 2.3030 | |
| 7 | W | A | 3.6760 | |
| 8 | V | A | 4.2567 | |
| 9 | F | A | 4.5592 | |
| 10 | L | A | 4.2039 | |
| 11 | V | A | 4.2006 | |
| 12 | A | A | 3.0221 | |
| 13 | L | A | 3.1678 | |
| 14 | F | A | 2.5692 | |
| 15 | R | A | -0.0937 | |
| 16 | G | A | 0.1643 | |
| 17 | V | A | 1.3469 | |
| 18 | Q | A | -0.2356 | |
| 19 | C | A | 0.9205 | |
| 20 | L | A | 0.6567 | |
| 21 | N | A | -0.1295 | |
| 22 | F | A | -0.1282 | |
| 23 | R | A | 0.0000 | |
| 24 | A | A | -0.2417 | |
| 25 | P | A | -0.0704 | |
| 26 | P | A | -0.1195 | |
| 27 | V | A | 0.3574 | |
| 28 | I | A | 0.2100 | |
| 29 | P | A | -0.5381 | |
| 30 | N | A | -1.3539 | |
| 31 | V | A | -0.1468 | |
| 32 | P | A | -0.5154 | |
| 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 | -0.1147 | |
| 42 | E | A | -0.9635 | |
| 43 | F | A | 0.9196 | |
| 44 | C | A | 0.0000 | |
| 45 | L | A | -0.7998 | |
| 46 | G | A | 0.0000 | |
| 47 | K | A | -1.7742 | |
| 48 | F | A | -0.2224 | |
| 49 | D | A | -1.9902 | |
| 50 | E | A | -2.5825 | |
| 51 | P | A | -1.6009 | |
| 52 | L | A | 0.0000 | |
| 53 | D | A | -1.2998 | |
| 54 | M | A | -0.2084 | |
| 55 | S | A | -0.6880 | |
| 56 | L | A | 0.0000 | |
| 57 | F | A | 0.0000 | |
| 58 | S | A | 0.1986 | |
| 59 | F | A | 0.0000 | |
| 60 | I | A | 0.8585 | |
| 61 | G | A | 0.0000 | |
| 62 | S | A | 0.0000 | |
| 63 | P | A | 0.0000 | |
| 64 | R | A | -0.6769 | |
| 65 | I | A | -0.5451 | |
| 66 | N | A | -1.0033 | |
| 67 | A | A | -0.5290 | |
| 68 | T | A | -0.1453 | |
| 69 | G | A | -0.3203 | |
| 70 | Q | A | -0.2505 | |
| 71 | G | A | -0.1100 | |
| 72 | V | A | 0.0000 | |
| 73 | T | A | 0.0000 | |
| 74 | I | A | 0.0000 | |
| 75 | F | A | 0.0000 | |
| 76 | Y | A | -0.4108 | |
| 77 | V | A | -0.6870 | |
| 78 | D | A | -1.3767 | |
| 79 | R | A | 0.0000 | |
| 80 | L | A | 0.0000 | |
| 81 | G | A | 0.0000 | |
| 82 | Y | A | -0.4890 | |
| 83 | Y | A | 0.0000 | |
| 84 | P | A | 0.0000 | |
| 85 | Y | A | 0.0125 | |
| 86 | I | A | 0.0000 | |
| 87 | D | A | 0.5959 | |
| 88 | S | A | 0.6488 | |
| 89 | I | A | 1.8318 | |
| 90 | T | A | 1.0845 | |
| 91 | G | A | 0.8450 | |
| 92 | V | A | 1.7070 | |
| 93 | T | A | 0.6212 | |
| 94 | V | A | 0.3936 | |
| 95 | N | A | -0.3106 | |
| 96 | G | A | -0.6498 | |
| 97 | G | A | 0.0000 | |
| 98 | I | A | 0.0000 | |
| 99 | P | A | 0.0000 | |
| 100 | Q | A | -1.5001 | |
| 101 | K | A | -1.7664 | |
| 102 | I | A | -1.0805 | |
| 103 | S | A | -1.2249 | |
| 104 | L | A | -1.2965 | |
| 105 | Q | A | -2.2302 | |
| 106 | D | A | -2.6720 | |
| 107 | H | A | 0.0000 | |
| 108 | L | A | -1.9253 | |
| 109 | D | A | -2.6541 | |
| 110 | K | A | -2.2523 | |
| 111 | A | A | 0.0000 | |
| 112 | K | A | -1.9507 | |
| 113 | K | A | -2.1453 | |
| 114 | D | A | 0.0000 | |
| 115 | I | A | 0.0000 | |
| 116 | T | A | -0.0830 | |
| 117 | F | A | 0.8251 | |
| 118 | Y | A | 0.0000 | |
| 119 | M | A | 0.0000 | |
| 120 | P | A | 0.4250 | |
| 121 | V | A | 0.9983 | |
| 122 | D | A | -0.6668 | |
| 123 | N | A | -1.2919 | |
| 124 | L | A | -0.4420 | |
| 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 | -0.3435 | |
| 131 | W | A | -0.8619 | |
| 132 | E | A | -1.6297 | |
| 133 | E | A | -1.2558 | |
| 134 | W | A | 0.0000 | |
| 135 | R | A | -0.7362 | |
| 136 | P | A | 0.0000 | |
| 137 | T | A | -0.7817 | |
| 138 | W | A | -0.4670 | |
| 139 | A | A | -0.1178 | |
| 140 | R | A | 0.0000 | |
| 141 | N | A | 0.0000 | |
| 142 | W | A | -0.6600 | |
| 143 | K | A | -1.8421 | |
| 144 | P | A | -1.4310 | |
| 145 | K | A | -1.4984 | |
| 146 | D | A | -1.6316 | |
| 147 | V | A | -1.0485 | |
| 148 | Y | A | 0.0000 | |
| 149 | K | A | -1.4228 | |
| 150 | N | A | -1.9790 | |
| 151 | R | A | -1.8533 | |
| 152 | S | A | 0.0000 | |
| 153 | I | A | -1.8330 | |
| 154 | E | A | -1.7285 | |
| 155 | L | A | -1.6446 | |
| 156 | V | A | 0.0000 | |
| 157 | Q | A | -1.4111 | |
| 158 | Q | A | -1.8400 | |
| 159 | Q | A | -1.8706 | |
| 160 | N | A | -1.1410 | |
| 161 | V | A | 0.3101 | |
| 162 | Q | A | -0.7765 | |
| 163 | L | A | -0.5863 | |
| 164 | S | A | 0.0087 | |
| 165 | L | A | 0.5221 | |
| 166 | T | A | -0.7776 | |
| 167 | E | A | -2.4229 | |
| 168 | A | A | 0.0000 | |
| 169 | T | A | -2.1113 | |
| 170 | E | A | -3.3131 | |
| 171 | K | A | -3.0372 | |
| 172 | A | A | 0.0000 | |
| 173 | K | A | -2.9183 | |
| 174 | Q | A | -3.2696 | |
| 175 | E | A | -2.9709 | |
| 176 | F | A | 0.0000 | |
| 177 | E | A | -2.2527 | |
| 178 | K | A | -2.8859 | |
| 179 | A | A | -1.9301 | |
| 180 | G | A | 0.0000 | |
| 181 | K | A | -1.7461 | |
| 182 | D | A | -1.4050 | |
| 183 | F | A | 0.0000 | |
| 184 | L | A | 0.0000 | |
| 185 | V | A | -1.0888 | |
| 186 | E | A | -1.6161 | |
| 187 | T | A | 0.0000 | |
| 188 | I | A | 0.0000 | |
| 189 | K | A | -1.0625 | |
| 190 | L | A | -0.4142 | |
| 191 | G | A | 0.0000 | |
| 192 | K | A | -0.3308 | |
| 193 | L | A | 0.9134 | |
| 194 | L | A | 0.4184 | |
| 195 | R | A | -0.3601 | |
| 196 | P | A | -0.8439 | |
| 197 | N | A | -1.3753 | |
| 198 | H | A | 0.0000 | |
| 199 | L | A | -0.1057 | |
| 200 | W | A | 0.0000 | |
| 201 | G | A | 0.0000 | |
| 202 | Y | A | 0.0000 | |
| 203 | Y | A | 0.0735 | |
| 204 | L | A | 0.1763 | |
| 205 | F | A | 0.3629 | |
| 206 | P | A | 0.0000 | |
| 207 | D | A | 0.0000 | |
| 208 | C | A | 0.0000 | |
| 209 | Y | A | 0.0000 | |
| 210 | N | A | 0.0000 | |
| 211 | H | A | -1.3197 | |
| 212 | H | A | -1.9933 | |
| 213 | Y | A | -1.7716 | |
| 214 | K | A | -2.9626 | |
| 215 | K | A | -3.0039 | |
| 216 | P | A | -2.4124 | |
| 217 | G | A | -1.5011 | |
| 218 | Y | A | -1.4550 | |
| 219 | N | A | -1.2845 | |
| 220 | G | A | 0.0000 | |
| 221 | S | A | -0.5292 | |
| 222 | C | A | 0.0834 | |
| 223 | F | A | 0.5721 | |
| 224 | N | A | -0.6170 | |
| 225 | V | A | 0.1788 | |
| 226 | E | A | 0.0000 | |
| 227 | I | A | -0.7637 | |
| 228 | K | A | -2.0930 | |
| 229 | R | A | -1.6027 | |
| 230 | N | A | 0.0000 | |
| 231 | D | A | -1.7406 | |
| 232 | D | A | -2.4777 | |
| 233 | L | A | 0.0000 | |
| 234 | S | A | -0.9584 | |
| 235 | W | A | -0.7617 | |
| 236 | L | A | 0.0000 | |
| 237 | W | A | 0.0000 | |
| 238 | N | A | -1.4471 | |
| 239 | E | A | -1.2349 | |
| 240 | S | A | 0.0000 | |
| 241 | T | A | -0.4094 | |
| 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 | 0.1351 | |
| 249 | L | A | 0.0000 | |
| 250 | N | A | -0.7433 | |
| 251 | T | A | -1.1084 | |
| 252 | Q | A | -1.5307 | |
| 253 | Q | A | -0.8423 | |
| 254 | S | A | -0.2263 | |
| 255 | P | A | 0.1335 | |
| 256 | V | A | 1.5487 | |
| 257 | A | A | 0.0000 | |
| 258 | A | A | 0.0000 | |
| 259 | T | A | 0.0000 | |
| 260 | L | A | 0.1814 | |
| 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 | -1.3374 | |
| 268 | E | A | 0.0000 | |
| 269 | A | A | 0.0000 | |
| 270 | I | A | 0.0000 | |
| 271 | R | A | -1.0008 | |
| 272 | V | A | 0.0000 | |
| 273 | S | A | 0.0000 | |
| 274 | K | A | -1.2134 | |
| 275 | I | A | -0.6350 | |
| 276 | P | A | -1.1932 | |
| 277 | D | A | -1.9302 | |
| 278 | A | A | -1.4261 | |
| 279 | K | A | -2.0509 | |
| 280 | S | A | -1.3785 | |
| 281 | P | A | 0.0000 | |
| 282 | L | A | -0.4921 | |
| 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 | -0.4384 | |
| 294 | D | A | -1.0396 | |
| 295 | Q | A | -0.7577 | |
| 296 | V | A | 0.1157 | |
| 297 | L | A | 0.0546 | |
| 298 | K | A | -1.1605 | |
| 299 | F | A | -0.2188 | |
| 300 | L | A | 0.0000 | |
| 301 | S | A | -1.0910 | |
| 302 | Q | A | -1.3932 | |
| 303 | D | A | -2.1952 | |
| 304 | E | A | -1.3368 | |
| 305 | L | A | 0.0000 | |
| 306 | V | A | -0.6556 | |
| 307 | Y | A | -0.1379 | |
| 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 | 0.0721 | |
| 319 | G | A | 0.0000 | |
| 320 | I | A | 0.0000 | |
| 321 | V | A | 0.0000 | |
| 322 | I | A | 0.0000 | |
| 323 | W | A | 0.1876 | |
| 324 | G | A | 0.0000 | |
| 325 | T | A | 0.0320 | |
| 326 | L | A | 0.1319 | |
| 327 | S | A | 0.2361 | |
| 328 | I | A | 0.0000 | |
| 329 | M | A | 0.0000 | |
| 330 | R | A | -0.5192 | |
| 331 | S | A | -0.2080 | |
| 332 | M | A | -0.0674 | |
| 333 | K | A | -1.0934 | |
| 334 | S | A | 0.0000 | |
| 335 | C | A | 0.0000 | |
| 336 | L | A | -0.4103 | |
| 337 | L | A | 0.1749 | |
| 338 | L | A | 0.0000 | |
| 339 | D | A | -1.4150 | |
| 340 | N | A | -1.4588 | |
| 341 | Y | A | 0.0000 | |
| 342 | M | A | 0.0000 | |
| 343 | E | A | -1.5290 | |
| 344 | T | A | -0.8020 | |
| 345 | I | A | -0.1870 | |
| 346 | L | A | 0.0000 | |
| 347 | N | A | 0.0000 | |
| 348 | P | A | -0.2513 | |
| 349 | Y | A | 0.0000 | |
| 350 | I | A | 0.0000 | |
| 351 | I | A | 0.0000 | |
| 352 | N | A | -0.3024 | |
| 353 | V | A | 0.0000 | |
| 354 | T | A | 0.0000 | |
| 355 | L | A | 0.0000 | |
| 356 | A | A | 0.0000 | |
| 357 | A | A | -0.1479 | |
| 358 | K | A | -0.8619 | |
| 359 | M | A | 0.0000 | |
| 360 | C | A | 0.0000 | |
| 361 | S | A | 0.0000 | |
| 362 | Q | A | -1.6957 | |
| 363 | V | A | 0.0000 | |
| 364 | L | A | 0.0000 | |
| 365 | C | A | 0.0000 | |
| 366 | Q | A | -2.5039 | |
| 367 | E | A | -2.7211 | |
| 368 | Q | A | -1.8455 | |
| 369 | G | A | 0.0000 | |
| 370 | V | A | -0.3398 | |
| 371 | C | A | 0.0000 | |
| 372 | I | A | 0.0000 | |
| 373 | R | A | 0.0000 | |
| 374 | K | A | -2.6295 | |
| 375 | N | A | -2.3174 | |
| 376 | W | A | -1.3506 | |
| 377 | N | A | -1.5135 | |
| 378 | S | A | -1.2928 | |
| 379 | S | A | -0.6871 | |
| 380 | D | A | -1.1042 | |
| 381 | Y | A | -0.1205 | |
| 382 | L | A | 0.0000 | |
| 383 | H | A | -0.4562 | |
| 384 | L | A | 0.0000 | |
| 385 | N | A | -1.7158 | |
| 386 | P | A | -1.4777 | |
| 387 | D | A | -2.2490 | |
| 388 | N | A | -2.2717 | |
| 389 | F | A | 0.0000 | |
| 390 | A | A | -1.4790 | |
| 391 | I | A | -0.7786 | |
| 392 | Q | A | -1.8610 | |
| 393 | L | A | -1.5436 | |
| 394 | E | A | -2.6946 | |
| 395 | K | A | -2.8509 | |
| 396 | G | A | -2.0210 | |
| 397 | G | A | -2.0712 | |
| 398 | K | A | -2.4138 | |
| 399 | F | A | 0.0000 | |
| 400 | T | A | 0.0000 | |
| 401 | V | A | 0.0000 | |
| 402 | R | A | -2.7384 | |
| 403 | G | A | -2.7637 | |
| 404 | K | A | -2.3888 | |
| 405 | P | A | 0.0000 | |
| 406 | T | A | -1.1698 | |
| 407 | L | A | -1.8381 | |
| 408 | E | A | -2.6002 | |
| 409 | D | A | 0.0000 | |
| 410 | L | A | 0.0000 | |
| 411 | E | A | -3.2941 | |
| 412 | Q | A | -2.9225 | |
| 413 | F | A | 0.0000 | |
| 414 | S | A | -2.3591 | |
| 415 | E | A | -3.0308 | |
| 416 | K | A | -2.6795 | |
| 417 | F | A | 0.0000 | |
| 418 | Y | A | -0.9535 | |
| 419 | C | A | -0.9269 | |
| 420 | S | A | 0.0000 | |
| 421 | C | A | 0.0000 | |
| 422 | Y | A | 0.0000 | |
| 423 | S | A | -0.5312 | |
| 424 | T | A | -0.1327 | |
| 425 | L | A | 0.2559 | |
| 426 | S | A | -0.2192 | |
| 427 | C | A | -1.4000 | |
| 428 | K | A | -2.4645 | |
| 429 | E | A | -2.3973 | |
| 430 | K | A | -2.2841 | |
| 431 | A | A | -1.7060 | |
| 432 | D | A | -2.6456 | |
| 433 | V | A | 0.0000 | |
| 434 | K | A | -3.4373 | |
| 435 | D | A | -3.4157 | |
| 436 | T | A | 0.0000 | |
| 437 | D | A | -2.3378 | |
| 438 | A | A | -1.3851 | |
| 439 | V | A | 0.0000 | |
| 440 | D | A | -2.1910 | |
| 441 | V | A | 0.0000 | |
| 442 | C | A | -0.6559 | |
| 443 | I | A | -0.0644 | |
| 444 | A | A | -0.7129 | |
| 445 | D | A | -1.9038 | |
| 446 | G | A | -1.1493 | |
| 447 | V | A | 0.0000 | |
| 448 | C | A | -1.1208 | |
| 449 | I | A | 0.0000 | |
| 450 | D | A | -2.5457 | |
| 451 | A | A | -1.2351 | |
| 452 | F | A | 0.2097 | |
| 453 | L | A | -0.8754 | |
| 454 | K | A | -1.5413 | |
| 455 | P | A | -0.8268 | |
| 456 | P | A | -0.5734 | |
| 457 | M | A | -0.4238 | |
| 458 | E | A | -2.2640 | |
| 459 | T | A | -2.0328 | |
| 460 | E | A | -3.2233 | |
| 461 | E | A | -3.3668 | |
| 462 | P | A | -1.8399 | |
| 463 | Q | A | -0.2517 | |
| 464 | I | A | 2.5304 | |
| 465 | F | A | 3.1857 | |
| 466 | Y | A | 2.2745 | |
| 467 | G | A | 0.3949 | |
| 468 | G | A | -0.7782 | |
| 469 | G | A | -1.0987 | |
| 470 | G | A | -0.9867 | |
| 471 | S | A | -0.8631 | |
| 472 | G | A | -1.0254 | |
| 473 | G | A | -1.0961 | |
| 474 | G | A | -1.0677 | |
| 475 | G | A | -0.9937 | |
| 476 | S | A | -0.8777 | |
| 477 | G | A | -1.0536 | |
| 478 | G | A | -1.1139 | |
| 479 | G | A | -1.3007 | |
| 480 | G | A | -1.4583 | |
| 481 | S | A | -1.5126 | |
| 482 | D | A | -2.3846 | |
| 483 | A | A | -1.6365 | |
| 484 | H | A | -2.1702 | |
| 485 | K | A | -3.0989 | |
| 486 | S | A | 0.0000 | |
| 487 | E | A | -1.6955 | |
| 488 | V | A | 0.0000 | |
| 489 | A | A | 0.0000 | |
| 490 | H | A | -1.8685 | |
| 491 | R | A | -1.8276 | |
| 492 | F | A | 0.0000 | |
| 493 | K | A | -2.8115 | |
| 494 | D | A | -2.9294 | |
| 495 | L | A | -2.1839 | |
| 496 | G | A | -2.4803 | |
| 497 | E | A | -3.0658 | |
| 498 | E | A | -2.7676 | |
| 499 | N | A | -2.0704 | |
| 500 | F | A | 0.0000 | |
| 501 | K | A | -1.4883 | |
| 502 | A | A | -0.9821 | |
| 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 | -0.7863 | |
| 515 | C | A | 0.0000 | |
| 516 | P | A | -1.1930 | |
| 517 | F | A | -1.6005 | |
| 518 | E | A | -2.7827 | |
| 519 | D | A | -2.6674 | |
| 520 | H | A | 0.0000 | |
| 521 | V | A | -2.1346 | |
| 522 | K | A | -3.1843 | |
| 523 | L | A | 0.0000 | |
| 524 | V | A | 0.0000 | |
| 525 | N | A | -2.8951 | |
| 526 | E | A | -3.2137 | |
| 527 | V | A | 0.0000 | |
| 528 | T | A | 0.0000 | |
| 529 | E | A | -2.8833 | |
| 530 | F | A | -1.7012 | |
| 531 | A | A | 0.0000 | |
| 532 | K | A | -2.1592 | |
| 533 | T | A | -1.4491 | |
| 534 | C | A | 0.0000 | |
| 535 | V | A | -1.0267 | |
| 536 | A | A | -0.7326 | |
| 537 | D | A | -1.9269 | |
| 538 | E | A | -2.3613 | |
| 539 | S | A | -1.9517 | |
| 540 | A | A | -1.8112 | |
| 541 | E | A | -2.6901 | |
| 542 | N | A | -2.1979 | |
| 543 | C | A | 0.0000 | |
| 544 | D | A | -3.3216 | |
| 545 | K | A | -2.1937 | |
| 546 | S | A | -1.0706 | |
| 547 | L | A | 0.0000 | |
| 548 | H | A | -0.6904 | |
| 549 | T | A | -0.8743 | |
| 550 | L | A | -0.6269 | |
| 551 | F | A | -0.3475 | |
| 552 | G | A | 0.0000 | |
| 553 | D | A | -0.9688 | |
| 554 | K | A | -0.9230 | |
| 555 | L | A | 0.0000 | |
| 556 | C | A | -0.4833 | |
| 557 | T | A | -0.1802 | |
| 558 | V | A | -0.3643 | |
| 559 | A | A | -0.4429 | |
| 560 | T | A | -1.1271 | |
| 561 | L | A | 0.0000 | |
| 562 | R | A | -3.3988 | |
| 563 | E | A | -2.9497 | |
| 564 | T | A | -1.7590 | |
| 565 | Y | A | -1.8150 | |
| 566 | G | A | -2.5574 | |
| 567 | E | A | -3.0662 | |
| 568 | M | A | 0.0000 | |
| 569 | A | A | -2.3642 | |
| 570 | D | A | -2.7163 | |
| 571 | C | A | 0.0000 | |
| 572 | C | A | -1.2655 | |
| 573 | A | A | -1.1486 | |
| 574 | K | A | -2.2698 | |
| 575 | Q | A | -2.2015 | |
| 576 | E | A | -2.0232 | |
| 577 | P | A | -1.9079 | |
| 578 | E | A | -2.3860 | |
| 579 | R | A | 0.0000 | |
| 580 | N | A | -1.9427 | |
| 581 | E | A | -2.7347 | |
| 582 | C | A | -2.2659 | |
| 583 | F | A | 0.0000 | |
| 584 | L | A | -1.3511 | |
| 585 | Q | A | -1.7559 | |
| 586 | H | A | -1.4329 | |
| 587 | K | A | 0.0000 | |
| 588 | D | A | -1.5846 | |
| 589 | D | A | -1.6148 | |
| 590 | N | A | -2.1032 | |
| 591 | P | A | -1.6085 | |
| 592 | N | A | -2.0509 | |
| 593 | L | A | -1.1864 | |
| 594 | P | A | -0.7965 | |
| 595 | R | A | -1.1376 | |
| 596 | L | A | 0.8813 | |
| 597 | V | A | 1.1286 | |
| 598 | R | A | -0.1860 | |
| 599 | P | A | -0.7415 | |
| 600 | E | A | -1.8802 | |
| 601 | V | A | -1.3063 | |
| 602 | D | A | -1.7083 | |
| 603 | V | A | -0.1287 | |
| 604 | M | A | 0.0000 | |
| 605 | C | A | 0.0000 | |
| 606 | T | A | -1.0144 | |
| 607 | A | A | -1.0158 | |
| 608 | F | A | 0.0000 | |
| 609 | H | A | -2.3865 | |
| 610 | D | A | -2.8981 | |
| 611 | N | A | -2.5470 | |
| 612 | E | A | -2.5346 | |
| 613 | E | A | -2.7358 | |
| 614 | T | A | -1.5600 | |
| 615 | F | A | -1.3919 | |
| 616 | L | A | -1.1025 | |
| 617 | K | A | -0.9944 | |
| 618 | K | A | -1.0910 | |
| 619 | Y | A | -0.1439 | |
| 620 | L | A | 0.0000 | |
| 621 | Y | A | 0.0000 | |
| 622 | E | A | 0.0000 | |
| 623 | I | A | -0.0815 | |
| 624 | A | A | 0.0000 | |
| 625 | R | A | -0.5383 | |
| 626 | R | A | -0.9420 | |
| 627 | H | A | -0.7307 | |
| 628 | P | A | 0.0000 | |
| 629 | Y | A | -0.3116 | |
| 630 | F | A | 0.0000 | |
| 631 | Y | A | 0.0000 | |
| 632 | A | A | 0.0000 | |
| 633 | P | A | 0.0000 | |
| 634 | E | A | 0.0000 | |
| 635 | L | A | 0.0000 | |
| 636 | L | A | 0.0000 | |
| 637 | F | A | 0.0000 | |
| 638 | F | A | 0.0000 | |
| 639 | A | A | -0.6582 | |
| 640 | K | A | -1.3294 | |
| 641 | R | A | -1.2441 | |
| 642 | Y | A | -0.8946 | |
| 643 | K | A | -1.4974 | |
| 644 | A | A | -1.2391 | |
| 645 | A | A | 0.0000 | |
| 646 | F | A | 0.0000 | |
| 647 | T | A | -1.5439 | |
| 648 | E | A | -2.3121 | |
| 649 | C | A | 0.0000 | |
| 650 | C | A | 0.0000 | |
| 651 | Q | A | -2.0800 | |
| 652 | A | A | -1.7231 | |
| 653 | A | A | -1.2263 | |
| 654 | D | A | -2.1907 | |
| 655 | K | A | -2.0990 | |
| 656 | A | A | -1.1433 | |
| 657 | A | A | -0.5521 | |
| 658 | C | A | -0.9350 | |
| 659 | L | A | 0.0000 | |
| 660 | L | A | -0.2607 | |
| 661 | P | A | -0.9973 | |
| 662 | K | A | -1.5738 | |
| 663 | L | A | 0.0000 | |
| 664 | D | A | -2.6178 | |
| 665 | E | A | -3.6482 | |
| 666 | L | A | 0.0000 | |
| 667 | R | A | -3.5836 | |
| 668 | D | A | -3.9866 | |
| 669 | E | A | -2.9932 | |
| 670 | G | A | -2.4770 | |
| 671 | K | A | -2.8682 | |
| 672 | A | A | -1.8180 | |
| 673 | S | A | -1.4206 | |
| 674 | S | A | 0.0000 | |
| 675 | A | A | -1.1290 | |
| 676 | K | A | -1.4276 | |
| 677 | Q | A | 0.0000 | |
| 678 | R | A | -0.8133 | |
| 679 | L | A | 0.0000 | |
| 680 | K | A | -0.9920 | |
| 681 | C | A | 0.0000 | |
| 682 | A | A | 0.0000 | |
| 683 | S | A | 0.0000 | |
| 684 | L | A | 0.0000 | |
| 685 | Q | A | -2.1408 | |
| 686 | K | A | -1.9427 | |
| 687 | F | A | -1.2848 | |
| 688 | G | A | -1.7835 | |
| 689 | E | A | -2.6462 | |
| 690 | R | A | -1.7794 | |
| 691 | A | A | -1.2089 | |
| 692 | F | A | 0.0000 | |
| 693 | K | A | -1.6633 | |
| 694 | A | A | -1.1052 | |
| 695 | W | A | -0.6082 | |
| 696 | A | A | 0.0000 | |
| 697 | V | A | 0.0000 | |
| 698 | A | A | 0.0000 | |
| 699 | R | A | -0.8122 | |
| 700 | L | A | 0.0000 | |
| 701 | S | A | 0.0000 | |
| 702 | Q | A | 0.0000 | |
| 703 | R | A | -2.1018 | |
| 704 | F | A | 0.0000 | |
| 705 | P | A | 0.0000 | |
| 706 | K | A | -2.6083 | |
| 707 | A | A | 0.0000 | |
| 708 | E | A | -2.2576 | |
| 709 | F | A | -0.9482 | |
| 710 | A | A | -0.5391 | |
| 711 | E | A | -1.0240 | |
| 712 | V | A | 0.0000 | |
| 713 | S | A | -0.6141 | |
| 714 | K | A | -0.5392 | |
| 715 | L | A | 0.0000 | |
| 716 | V | A | 0.0000 | |
| 717 | T | A | -1.0232 | |
| 718 | D | A | -1.0500 | |
| 719 | L | A | -0.4972 | |
| 720 | T | A | 0.0000 | |
| 721 | K | A | -1.3928 | |
| 722 | V | A | 0.0000 | |
| 723 | H | A | 0.0000 | |
| 724 | T | A | -1.1267 | |
| 725 | E | A | -0.9960 | |
| 726 | C | A | 0.0000 | |
| 727 | C | A | 0.0000 | |
| 728 | H | A | -1.0674 | |
| 729 | G | A | -0.7044 | |
| 730 | D | A | -0.7158 | |
| 731 | L | A | 0.0000 | |
| 732 | L | A | 0.0000 | |
| 733 | E | A | -1.2456 | |
| 734 | C | A | 0.0000 | |
| 735 | A | A | 0.0000 | |
| 736 | D | A | -1.5802 | |
| 737 | D | A | -1.9580 | |
| 738 | R | A | 0.0000 | |
| 739 | A | A | -1.6189 | |
| 740 | D | A | -2.5982 | |
| 741 | L | A | 0.0000 | |
| 742 | A | A | 0.0000 | |
| 743 | K | A | -2.7175 | |
| 744 | Y | A | -1.7724 | |
| 745 | I | A | 0.0000 | |
| 746 | C | A | -2.5847 | |
| 747 | E | A | -2.6419 | |
| 748 | N | A | -2.0528 | |
| 749 | Q | A | -2.2722 | |
| 750 | D | A | -2.7824 | |
| 751 | S | A | -2.0977 | |
| 752 | I | A | 0.0000 | |
| 753 | S | A | 0.0000 | |
| 754 | S | A | -1.9824 | |
| 755 | K | A | -2.4678 | |
| 756 | L | A | 0.0000 | |
| 757 | K | A | -3.0154 | |
| 758 | E | A | -3.2697 | |
| 759 | C | A | 0.0000 | |
| 760 | C | A | -2.6816 | |
| 761 | E | A | -3.1241 | |
| 762 | K | A | -2.4187 | |
| 763 | P | A | -0.8278 | |
| 764 | L | A | -0.2609 | |
| 765 | L | A | 0.0290 | |
| 766 | E | A | -0.8290 | |
| 767 | K | A | -1.2640 | |
| 768 | S | A | 0.0000 | |
| 769 | H | A | -0.6860 | |
| 770 | C | A | -1.2095 | |
| 771 | I | A | 0.0000 | |
| 772 | A | A | -1.1880 | |
| 773 | E | A | -2.4169 | |
| 774 | V | A | 0.0000 | |
| 775 | E | A | -3.2292 | |
| 776 | N | A | -3.0135 | |
| 777 | D | A | 0.0000 | |
| 778 | E | A | -2.6284 | |
| 779 | M | A | -1.4715 | |
| 780 | P | A | -1.2502 | |
| 781 | A | A | -0.9556 | |
| 782 | D | A | -1.6963 | |
| 783 | L | A | -0.7976 | |
| 784 | P | A | -0.8798 | |
| 785 | S | A | -0.9191 | |
| 786 | L | A | -0.7208 | |
| 787 | A | A | -1.0054 | |
| 788 | A | A | -1.7480 | |
| 789 | D | A | -2.7162 | |
| 790 | F | A | 0.0000 | |
| 791 | V | A | 0.0000 | |
| 792 | E | A | -3.0555 | |
| 793 | S | A | -2.8126 | |
| 794 | K | A | -3.3144 | |
| 795 | D | A | -2.7981 | |
| 796 | V | A | 0.0000 | |
| 797 | C | A | -1.4806 | |
| 798 | K | A | -1.9657 | |
| 799 | N | A | -1.7826 | |
| 800 | Y | A | 0.0000 | |
| 801 | A | A | -1.2094 | |
| 802 | E | A | -1.0206 | |
| 803 | A | A | -0.8980 | |
| 804 | K | A | -1.3020 | |
| 805 | D | A | -1.7029 | |
| 806 | V | A | -0.2582 | |
| 807 | F | A | 0.0000 | |
| 808 | L | A | 0.0000 | |
| 809 | G | A | -0.3613 | |
| 810 | M | A | 0.0769 | |
| 811 | F | A | 0.0000 | |
| 812 | L | A | 0.0000 | |
| 813 | Y | A | 0.0000 | |
| 814 | E | A | -0.6736 | |
| 815 | Y | A | 0.0000 | |
| 816 | A | A | 0.0000 | |
| 817 | R | A | -1.1719 | |
| 818 | R | A | -0.6538 | |
| 819 | H | A | -0.5798 | |
| 820 | P | A | -1.2819 | |
| 821 | D | A | -1.5018 | |
| 822 | Y | A | -0.5594 | |
| 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 | -0.6884 | |
| 832 | K | A | -1.4014 | |
| 833 | T | A | -0.9800 | |
| 834 | Y | A | 0.0000 | |
| 835 | E | A | 0.0000 | |
| 836 | T | A | -1.5150 | |
| 837 | T | A | 0.0000 | |
| 838 | L | A | 0.0000 | |
| 839 | E | A | -2.5862 | |
| 840 | K | A | -2.5000 | |
| 841 | C | A | 0.0000 | |
| 842 | C | A | -1.2222 | |
| 843 | A | A | -0.9957 | |
| 844 | A | A | -1.2833 | |
| 845 | A | A | -0.9934 | |
| 846 | D | A | -2.3195 | |
| 847 | P | A | -2.1735 | |
| 848 | H | A | -2.6658 | |
| 849 | E | A | -3.0449 | |
| 850 | C | A | -1.7935 | |
| 851 | Y | A | 0.0000 | |
| 852 | A | A | -1.8521 | |
| 853 | K | A | -2.3318 | |
| 854 | V | A | 0.0000 | |
| 855 | F | A | -1.1195 | |
| 856 | D | A | -2.2124 | |
| 857 | E | A | -2.1299 | |
| 858 | F | A | 0.0000 | |
| 859 | K | A | -2.7079 | |
| 860 | P | A | -2.1034 | |
| 861 | L | A | -1.3189 | |
| 862 | V | A | -1.7622 | |
| 863 | E | A | -2.9946 | |
| 864 | E | A | -2.3998 | |
| 865 | P | A | 0.0000 | |
| 866 | Q | A | -2.6170 | |
| 867 | N | A | -2.8878 | |
| 868 | L | A | -1.7837 | |
| 869 | I | A | 0.0000 | |
| 870 | K | A | -2.9653 | |
| 871 | Q | A | -2.6421 | |
| 872 | N | A | -1.9675 | |
| 873 | C | A | 0.0000 | |
| 874 | E | A | -3.2377 | |
| 875 | L | A | -2.1938 | |
| 876 | F | A | -2.2478 | |
| 877 | E | A | -3.1382 | |
| 878 | Q | A | -2.5942 | |
| 879 | L | A | -1.7310 | |
| 880 | G | A | -1.6018 | |
| 881 | E | A | -1.6788 | |
| 882 | Y | A | -1.2335 | |
| 883 | K | A | -1.9995 | |
| 884 | F | A | 0.0000 | |
| 885 | Q | A | 0.0000 | |
| 886 | N | A | -1.1084 | |
| 887 | A | A | -1.0222 | |
| 888 | L | A | 0.0000 | |
| 889 | L | A | 0.0000 | |
| 890 | V | A | 0.0000 | |
| 891 | R | A | -1.1534 | |
| 892 | Y | A | -0.5052 | |
| 893 | T | A | 0.0000 | |
| 894 | K | A | -1.1036 | |
| 895 | K | A | -0.9133 | |
| 896 | V | A | 0.0000 | |
| 897 | P | A | 0.0000 | |
| 898 | Q | A | -0.4599 | |
| 899 | V | A | 0.0000 | |
| 900 | S | A | -0.2125 | |
| 901 | T | A | 0.0000 | |
| 902 | P | A | -0.5206 | |
| 903 | T | A | -0.6129 | |
| 904 | L | A | 0.0000 | |
| 905 | V | A | 0.0000 | |
| 906 | E | A | -1.2689 | |
| 907 | V | A | 0.0000 | |
| 908 | S | A | 0.0000 | |
| 909 | R | A | -0.7786 | |
| 910 | N | A | -0.6757 | |
| 911 | L | A | 0.0000 | |
| 912 | G | A | 0.0000 | |
| 913 | K | A | -0.8457 | |
| 914 | V | A | -0.6368 | |
| 915 | G | A | 0.0000 | |
| 916 | S | A | -1.3950 | |
| 917 | K | A | -1.3050 | |
| 918 | C | A | 0.0000 | |
| 919 | C | A | 0.0000 | |
| 920 | K | A | -2.6715 | |
| 921 | H | A | -2.1613 | |
| 922 | P | A | -2.0713 | |
| 923 | E | A | -3.0463 | |
| 924 | A | A | -1.9674 | |
| 925 | K | A | -2.5019 | |
| 926 | R | A | -2.3070 | |
| 927 | M | A | 0.0000 | |
| 928 | P | A | -0.7482 | |
| 929 | C | A | -0.4653 | |
| 930 | A | A | 0.0000 | |
| 931 | E | A | 0.0000 | |
| 932 | D | A | -0.1081 | |
| 933 | Y | A | -0.0498 | |
| 934 | L | A | 0.1377 | |
| 935 | S | A | -0.1681 | |
| 936 | V | A | 0.0000 | |
| 937 | V | A | 0.0000 | |
| 938 | L | A | 0.0000 | |
| 939 | N | A | 0.0000 | |
| 940 | Q | A | -0.6894 | |
| 941 | L | A | 0.0000 | |
| 942 | C | A | 0.0000 | |
| 943 | V | A | -0.9456 | |
| 944 | L | A | -1.0543 | |
| 945 | H | A | 0.0000 | |
| 946 | E | A | -2.0273 | |
| 947 | K | A | -2.4561 | |
| 948 | T | A | -1.1394 | |
| 949 | P | A | -1.0311 | |
| 950 | V | A | -0.1870 | |
| 951 | S | A | 0.0000 | |
| 952 | D | A | -2.3054 | |
| 953 | R | A | -1.6597 | |
| 954 | V | A | 0.0000 | |
| 955 | T | A | -2.0342 | |
| 956 | K | A | -2.7746 | |
| 957 | C | A | 0.0000 | |
| 958 | C | A | 0.0000 | |
| 959 | T | A | -1.8450 | |
| 960 | E | A | -2.3830 | |
| 961 | S | A | -1.3930 | |
| 962 | L | A | 0.0000 | |
| 963 | V | A | -0.5254 | |
| 964 | N | A | -0.9460 | |
| 965 | R | A | 0.0000 | |
| 966 | R | A | 0.0000 | |
| 967 | P | A | -0.2457 | |
| 968 | C | A | -0.4929 | |
| 969 | F | A | 0.0000 | |
| 970 | S | A | -0.2652 | |
| 971 | A | A | -0.2328 | |
| 972 | L | A | -0.6605 | |
| 973 | E | A | -1.7710 | |
| 974 | V | A | -0.9893 | |
| 975 | D | A | 0.0000 | |
| 976 | E | A | -1.8213 | |
| 977 | T | A | -0.3305 | |
| 978 | Y | A | 0.2179 | |
| 979 | V | A | 0.8831 | |
| 980 | P | A | -0.5301 | |
| 981 | K | A | -1.7509 | |
| 982 | E | A | -2.2527 | |
| 983 | F | A | -1.2970 | |
| 984 | N | A | -1.7322 | |
| 985 | A | A | -1.4355 | |
| 986 | E | A | -1.9078 | |
| 987 | T | A | -0.9238 | |
| 988 | F | A | -0.6791 | |
| 989 | T | A | -0.9656 | |
| 990 | F | A | -0.9147 | |
| 991 | H | A | -1.5819 | |
| 992 | A | A | -1.8330 | |
| 993 | D | A | -2.1844 | |
| 994 | I | A | 0.0000 | |
| 995 | C | A | -1.3951 | |
| 996 | T | A | -0.7821 | |
| 997 | L | A | -1.3056 | |
| 998 | S | A | -1.6476 | |
| 999 | E | A | -3.0187 | |
| 1000 | K | A | -2.9483 | |
| 1001 | E | A | -2.0777 | |
| 1002 | R | A | -2.4024 | |
| 1003 | Q | A | -1.7498 | |
| 1004 | I | A | -1.0527 | |
| 1005 | K | A | -1.3226 | |
| 1006 | K | A | -0.8661 | |
| 1007 | Q | A | 0.0000 | |
| 1008 | T | A | -0.4389 | |
| 1009 | A | A | 0.0000 | |
| 1010 | L | A | 0.0000 | |
| 1011 | V | A | 0.0000 | |
| 1012 | E | A | 0.0000 | |
| 1013 | L | A | 0.0000 | |
| 1014 | V | A | 0.0000 | |
| 1015 | K | A | 0.0000 | |
| 1016 | H | A | 0.0000 | |
| 1017 | K | A | -0.9961 | |
| 1018 | P | A | 0.0000 | |
| 1019 | K | A | -2.2322 | |
| 1020 | A | A | 0.0000 | |
| 1021 | T | A | -2.2352 | |
| 1022 | K | A | -3.3053 | |
| 1023 | E | A | -3.2986 | |
| 1024 | Q | A | -2.5626 | |
| 1025 | L | A | 0.0000 | |
| 1026 | K | A | -3.5622 | |
| 1027 | A | A | -2.5732 | |
| 1028 | V | A | 0.0000 | |
| 1029 | M | A | -2.1186 | |
| 1030 | D | A | -3.0039 | |
| 1031 | D | A | -2.9347 | |
| 1032 | F | A | 0.0000 | |
| 1033 | A | A | -1.8572 | |
| 1034 | A | A | -2.0576 | |
| 1035 | F | A | 0.0000 | |
| 1036 | V | A | 0.0000 | |
| 1037 | E | A | -3.0936 | |
| 1038 | K | A | -3.1110 | |
| 1039 | C | A | 0.0000 | |
| 1040 | C | A | -2.7870 | |
| 1041 | K | A | -3.3096 | |
| 1042 | A | A | -3.1082 | |
| 1043 | D | A | -3.1972 | |
| 1044 | D | A | -3.2145 | |
| 1045 | K | A | -3.2455 | |
| 1046 | E | A | -2.7455 | |
| 1047 | T | A | -2.1063 | |
| 1048 | C | A | -2.6574 | |
| 1049 | F | A | 0.0000 | |
| 1050 | A | A | -2.1600 | |
| 1051 | E | A | -3.2019 | |
| 1052 | E | A | -2.8542 | |
| 1053 | G | A | -2.1925 | |
| 1054 | K | A | -3.1302 | |
| 1055 | K | A | -3.0356 | |
| 1056 | L | A | -1.8388 | |
| 1057 | V | A | -0.8996 | |
| 1058 | A | A | -0.7487 | |
| 1059 | A | A | -0.6904 | |
| 1060 | S | A | -0.5100 | |
| 1061 | Q | A | 0.1337 | |
| 1062 | A | A | 0.2694 | |
| 1063 | A | A | 0.0577 | |
| 1064 | L | A | 0.0000 | |
| 1065 | G | A | 0.1875 | |
| 1066 | L | A | 1.2313 |
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 | -0.5263 | 7.4543 | View | CSV | PDB |
| 4.5 | -0.6133 | 7.4543 | View | CSV | PDB |
| 5.0 | -0.7213 | 7.4543 | View | CSV | PDB |
| 5.5 | -0.8297 | 7.4543 | View | CSV | PDB |
| 6.0 | -0.9167 | 7.4543 | View | CSV | PDB |
| 6.5 | -0.9667 | 7.4543 | View | CSV | PDB |
| 7.0 | -0.9775 | 7.4543 | View | CSV | PDB |
| 7.5 | -0.9602 | 7.4543 | View | CSV | PDB |
| 8.0 | -0.9266 | 7.4543 | View | CSV | PDB |
| 8.5 | -0.8817 | 7.4543 | View | CSV | PDB |
| 9.0 | -0.8256 | 7.4543 | 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