| 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 (00:43:31)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/f5dd887a008ef63/tmp/folded.pdb (00:43:31)
[INFO] Main: Simulation completed successfully. (01:02:28)
|
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 | 0.4542 | |
| 2 | E | A | -0.1627 | |
| 3 | F | A | 1.4201 | |
| 4 | G | A | 1.2591 | |
| 5 | L | A | 2.4533 | |
| 6 | S | A | 2.5786 | |
| 7 | W | A | 3.5936 | |
| 8 | V | A | 4.4281 | |
| 9 | F | A | 4.8906 | |
| 10 | L | A | 4.8988 | |
| 11 | V | A | 4.4916 | |
| 12 | A | A | 3.1377 | |
| 13 | L | A | 3.3569 | |
| 14 | F | A | 2.6625 | |
| 15 | R | A | -0.1004 | |
| 16 | G | A | 0.1375 | |
| 17 | V | A | 1.3391 | |
| 18 | Q | A | -0.2302 | |
| 19 | C | A | 0.9196 | |
| 20 | L | A | 0.6978 | |
| 21 | N | A | -0.0622 | |
| 22 | F | A | -0.0109 | |
| 23 | R | A | 0.0000 | |
| 24 | A | A | -0.1820 | |
| 25 | P | A | -0.0311 | |
| 26 | P | A | -0.1049 | |
| 27 | V | A | 0.4184 | |
| 28 | I | A | 0.2347 | |
| 29 | P | A | -0.5326 | |
| 30 | N | A | -1.3408 | |
| 31 | V | A | -0.1524 | |
| 32 | P | A | -0.5225 | |
| 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 | -0.1580 | |
| 42 | E | A | -0.5367 | |
| 43 | F | A | -0.0705 | |
| 44 | C | A | 0.0000 | |
| 45 | L | A | -0.4621 | |
| 46 | G | A | 0.0000 | |
| 47 | K | A | -0.1378 | |
| 48 | F | A | 1.0062 | |
| 49 | D | A | 0.0000 | |
| 50 | E | A | -1.6119 | |
| 51 | P | A | -1.1664 | |
| 52 | L | A | 0.0000 | |
| 53 | D | A | -1.2750 | |
| 54 | M | A | -0.1723 | |
| 55 | S | A | -0.7552 | |
| 56 | L | A | 0.0000 | |
| 57 | F | A | 0.0000 | |
| 58 | S | A | 0.1824 | |
| 59 | F | A | 0.0000 | |
| 60 | I | A | 0.8503 | |
| 61 | G | A | 0.0000 | |
| 62 | S | A | 0.0000 | |
| 63 | P | A | -0.1787 | |
| 64 | R | A | -0.4826 | |
| 65 | I | A | -0.4746 | |
| 66 | N | A | -0.9432 | |
| 67 | A | A | -0.4756 | |
| 68 | T | A | -0.0551 | |
| 69 | G | A | -0.2701 | |
| 70 | Q | A | -0.2396 | |
| 71 | G | A | -0.1085 | |
| 72 | V | A | 0.0000 | |
| 73 | T | A | 0.0000 | |
| 74 | I | A | 0.0000 | |
| 75 | F | A | 0.0000 | |
| 76 | Y | A | -0.3823 | |
| 77 | V | A | -0.6739 | |
| 78 | D | A | -1.6410 | |
| 79 | R | A | -0.6091 | |
| 80 | L | A | 0.0000 | |
| 81 | G | A | 0.0000 | |
| 82 | Y | A | -0.3453 | |
| 83 | Y | A | 0.0000 | |
| 84 | P | A | 0.0000 | |
| 85 | Y | A | 0.0703 | |
| 86 | I | A | 0.0000 | |
| 87 | D | A | 0.5760 | |
| 88 | S | A | 0.6241 | |
| 89 | I | A | 1.8974 | |
| 90 | T | A | 1.0430 | |
| 91 | G | A | 0.7889 | |
| 92 | V | A | 1.6226 | |
| 93 | T | A | 0.5888 | |
| 94 | V | A | 0.4157 | |
| 95 | N | A | -0.4025 | |
| 96 | G | A | -0.6278 | |
| 97 | G | A | 0.0000 | |
| 98 | I | A | 0.0000 | |
| 99 | P | A | 0.0000 | |
| 100 | Q | A | -1.6245 | |
| 101 | K | A | -1.7783 | |
| 102 | I | A | -1.0337 | |
| 103 | S | A | -1.2073 | |
| 104 | L | A | -1.1774 | |
| 105 | Q | A | -2.1330 | |
| 106 | D | A | -2.4750 | |
| 107 | H | A | 0.0000 | |
| 108 | L | A | -1.7646 | |
| 109 | D | A | -2.4610 | |
| 110 | K | A | -2.1787 | |
| 111 | A | A | 0.0000 | |
| 112 | K | A | -1.7070 | |
| 113 | K | A | -2.0521 | |
| 114 | D | A | -1.1096 | |
| 115 | I | A | 0.0000 | |
| 116 | T | A | 0.0346 | |
| 117 | F | A | 1.1271 | |
| 118 | Y | A | 0.0000 | |
| 119 | M | A | 0.0000 | |
| 120 | P | A | 0.6669 | |
| 121 | V | A | 1.0017 | |
| 122 | D | A | -0.7630 | |
| 123 | N | A | -1.3226 | |
| 124 | L | A | -0.4004 | |
| 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 | -0.2918 | |
| 131 | W | A | -0.7042 | |
| 132 | E | A | -1.3209 | |
| 133 | E | A | -1.1604 | |
| 134 | W | A | 0.0000 | |
| 135 | R | A | -0.6494 | |
| 136 | P | A | 0.0000 | |
| 137 | T | A | -0.8353 | |
| 138 | W | A | 0.0000 | |
| 139 | A | A | -0.1157 | |
| 140 | R | A | 0.0000 | |
| 141 | N | A | 0.0000 | |
| 142 | W | A | -0.4584 | |
| 143 | K | A | -1.6721 | |
| 144 | P | A | -1.3073 | |
| 145 | K | A | -1.2551 | |
| 146 | D | A | -1.0921 | |
| 147 | V | A | -0.7282 | |
| 148 | Y | A | 0.0000 | |
| 149 | K | A | -1.2724 | |
| 150 | N | A | -1.8648 | |
| 151 | R | A | -2.0039 | |
| 152 | S | A | 0.0000 | |
| 153 | I | A | -2.2533 | |
| 154 | E | A | -2.5943 | |
| 155 | L | A | -2.2099 | |
| 156 | V | A | 0.0000 | |
| 157 | Q | A | -1.7848 | |
| 158 | Q | A | -2.1496 | |
| 159 | Q | A | -2.0280 | |
| 160 | N | A | -1.2152 | |
| 161 | V | A | 0.2173 | |
| 162 | Q | A | -0.7636 | |
| 163 | L | A | -0.5740 | |
| 164 | S | A | 0.0791 | |
| 165 | L | A | 0.4988 | |
| 166 | T | A | -0.6323 | |
| 167 | E | A | -2.1358 | |
| 168 | A | A | 0.0000 | |
| 169 | T | A | -2.1750 | |
| 170 | E | A | -3.3291 | |
| 171 | K | A | -3.1917 | |
| 172 | A | A | 0.0000 | |
| 173 | K | A | -3.1680 | |
| 174 | Q | A | -3.5970 | |
| 175 | E | A | -3.5024 | |
| 176 | F | A | 0.0000 | |
| 177 | E | A | -2.4819 | |
| 178 | K | A | -3.0926 | |
| 179 | A | A | -2.0881 | |
| 180 | G | A | 0.0000 | |
| 181 | K | A | -1.7705 | |
| 182 | D | A | -1.3959 | |
| 183 | F | A | 0.0000 | |
| 184 | L | A | 0.0000 | |
| 185 | V | A | -0.9375 | |
| 186 | E | A | -1.3511 | |
| 187 | T | A | 0.0000 | |
| 188 | I | A | 0.0000 | |
| 189 | K | A | -0.8041 | |
| 190 | L | A | -0.2489 | |
| 191 | G | A | 0.0000 | |
| 192 | K | A | -0.2655 | |
| 193 | L | A | 0.9581 | |
| 194 | L | A | 0.4219 | |
| 195 | R | A | -0.3696 | |
| 196 | P | A | -0.8426 | |
| 197 | N | A | -1.3907 | |
| 198 | H | A | 0.0000 | |
| 199 | L | A | -0.0914 | |
| 200 | W | A | 0.0000 | |
| 201 | G | A | 0.0000 | |
| 202 | Y | A | 0.0000 | |
| 203 | Y | A | 0.0747 | |
| 204 | L | A | 0.1712 | |
| 205 | F | A | 0.3165 | |
| 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 | -1.3188 | |
| 212 | H | A | -2.0048 | |
| 213 | Y | A | -1.8446 | |
| 214 | K | A | -3.0129 | |
| 215 | K | A | -3.0085 | |
| 216 | P | A | -1.8243 | |
| 217 | G | A | -1.5076 | |
| 218 | Y | A | -1.4558 | |
| 219 | N | A | -1.2833 | |
| 220 | G | A | 0.0000 | |
| 221 | S | A | -0.5126 | |
| 222 | C | A | -0.0563 | |
| 223 | F | A | 0.5824 | |
| 224 | N | A | -0.6235 | |
| 225 | V | A | 0.1656 | |
| 226 | E | A | 0.0000 | |
| 227 | I | A | -0.7743 | |
| 228 | K | A | -2.0985 | |
| 229 | R | A | -1.6179 | |
| 230 | N | A | 0.0000 | |
| 231 | D | A | -1.7264 | |
| 232 | D | A | -2.4755 | |
| 233 | L | A | 0.0000 | |
| 234 | S | A | -0.9560 | |
| 235 | W | A | -0.7655 | |
| 236 | L | A | 0.0000 | |
| 237 | W | A | 0.0000 | |
| 238 | N | A | -1.4695 | |
| 239 | E | A | -1.1932 | |
| 240 | S | A | 0.0000 | |
| 241 | T | A | -0.4252 | |
| 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 | 0.0108 | |
| 249 | L | A | 0.0000 | |
| 250 | N | A | -1.1172 | |
| 251 | T | A | -1.3905 | |
| 252 | Q | A | -1.8094 | |
| 253 | Q | A | -0.9569 | |
| 254 | S | A | -0.2853 | |
| 255 | P | A | 0.0852 | |
| 256 | V | A | 1.5215 | |
| 257 | A | A | 0.0000 | |
| 258 | A | A | 0.0000 | |
| 259 | T | A | 0.1629 | |
| 260 | L | A | 0.1503 | |
| 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 | -1.2301 | |
| 268 | E | A | 0.0000 | |
| 269 | A | A | 0.0000 | |
| 270 | I | A | 0.0000 | |
| 271 | R | A | -0.9586 | |
| 272 | V | A | 0.0000 | |
| 273 | S | A | 0.0000 | |
| 274 | K | A | -1.1802 | |
| 275 | I | A | -0.6183 | |
| 276 | P | A | -1.2013 | |
| 277 | D | A | -1.9615 | |
| 278 | A | A | -1.3798 | |
| 279 | K | A | -1.9191 | |
| 280 | S | A | -1.2937 | |
| 281 | P | A | 0.0000 | |
| 282 | L | A | -0.4746 | |
| 283 | P | A | 0.0452 | |
| 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 | -0.1061 | |
| 290 | I | A | 0.0000 | |
| 291 | V | A | 0.0000 | |
| 292 | F | A | 0.0000 | |
| 293 | T | A | -0.7999 | |
| 294 | D | A | -1.7697 | |
| 295 | Q | A | -1.0510 | |
| 296 | V | A | 0.2379 | |
| 297 | L | A | 1.0434 | |
| 298 | K | A | -0.5979 | |
| 299 | F | A | 0.0819 | |
| 300 | L | A | 0.0000 | |
| 301 | S | A | -1.3130 | |
| 302 | Q | A | -1.8645 | |
| 303 | D | A | -2.4186 | |
| 304 | E | A | -1.4435 | |
| 305 | L | A | 0.0000 | |
| 306 | V | A | -0.7713 | |
| 307 | Y | A | -0.2141 | |
| 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 | 0.0707 | |
| 319 | G | A | 0.0000 | |
| 320 | I | A | 0.0000 | |
| 321 | V | A | 0.0000 | |
| 322 | I | A | 0.0000 | |
| 323 | W | A | 0.0367 | |
| 324 | G | A | 0.0000 | |
| 325 | T | A | -0.1425 | |
| 326 | L | A | -0.3931 | |
| 327 | S | A | 0.0000 | |
| 328 | I | A | 0.0000 | |
| 329 | M | A | 0.0000 | |
| 330 | R | A | -1.7084 | |
| 331 | S | A | -0.9650 | |
| 332 | M | A | -0.1403 | |
| 333 | K | A | -1.1026 | |
| 334 | S | A | -0.2271 | |
| 335 | C | A | 0.0000 | |
| 336 | L | A | 0.4615 | |
| 337 | L | A | 0.8657 | |
| 338 | L | A | 0.0000 | |
| 339 | D | A | 0.0000 | |
| 340 | N | A | -0.4795 | |
| 341 | Y | A | 0.0000 | |
| 342 | M | A | 0.0000 | |
| 343 | E | A | -0.8220 | |
| 344 | T | A | -0.4256 | |
| 345 | I | A | -0.1309 | |
| 346 | L | A | 0.0000 | |
| 347 | N | A | 0.0000 | |
| 348 | P | A | -0.1467 | |
| 349 | Y | A | 0.0000 | |
| 350 | I | A | 0.0000 | |
| 351 | I | A | 0.0000 | |
| 352 | N | A | -0.2981 | |
| 353 | V | A | 0.0000 | |
| 354 | T | A | 0.0000 | |
| 355 | L | A | 0.0000 | |
| 356 | A | A | 0.0000 | |
| 357 | A | A | -0.1419 | |
| 358 | K | A | -0.8552 | |
| 359 | M | A | 0.0000 | |
| 360 | C | A | 0.0000 | |
| 361 | S | A | 0.0000 | |
| 362 | Q | A | -1.6660 | |
| 363 | V | A | 0.0000 | |
| 364 | L | A | 0.0000 | |
| 365 | C | A | 0.0000 | |
| 366 | Q | A | -2.5023 | |
| 367 | E | A | -2.7274 | |
| 368 | Q | A | -1.8387 | |
| 369 | G | A | 0.0000 | |
| 370 | V | A | -0.3188 | |
| 371 | C | A | 0.0000 | |
| 372 | I | A | 0.0000 | |
| 373 | R | A | 0.0000 | |
| 374 | K | A | -2.7636 | |
| 375 | N | A | -2.3981 | |
| 376 | W | A | -1.4438 | |
| 377 | N | A | -1.5982 | |
| 378 | S | A | -1.3342 | |
| 379 | S | A | -0.6862 | |
| 380 | D | A | -1.0873 | |
| 381 | Y | A | -0.0993 | |
| 382 | L | A | 0.0000 | |
| 383 | H | A | -0.4425 | |
| 384 | L | A | 0.0000 | |
| 385 | N | A | -1.5228 | |
| 386 | P | A | -1.4783 | |
| 387 | D | A | -2.2385 | |
| 388 | N | A | -2.2418 | |
| 389 | F | A | 0.0000 | |
| 390 | A | A | -1.3464 | |
| 391 | I | A | -0.6484 | |
| 392 | Q | A | -1.6155 | |
| 393 | L | A | -1.6119 | |
| 394 | E | A | -3.1765 | |
| 395 | K | A | -3.5853 | |
| 396 | G | A | -2.6291 | |
| 397 | G | A | -2.6157 | |
| 398 | K | A | -3.2355 | |
| 399 | F | A | 0.0000 | |
| 400 | T | A | -1.5009 | |
| 401 | V | A | -1.2434 | |
| 402 | R | A | -2.5651 | |
| 403 | G | A | -2.6340 | |
| 404 | K | A | -2.3160 | |
| 405 | P | A | 0.0000 | |
| 406 | T | A | -0.9013 | |
| 407 | L | A | -1.6277 | |
| 408 | E | A | -2.4016 | |
| 409 | D | A | 0.0000 | |
| 410 | L | A | 0.0000 | |
| 411 | E | A | -2.9475 | |
| 412 | Q | A | -2.7105 | |
| 413 | F | A | 0.0000 | |
| 414 | S | A | -2.4611 | |
| 415 | E | A | -2.9178 | |
| 416 | K | A | -2.5620 | |
| 417 | F | A | 0.0000 | |
| 418 | Y | A | -0.9351 | |
| 419 | C | A | -0.8874 | |
| 420 | S | A | 0.0000 | |
| 421 | C | A | 0.0000 | |
| 422 | Y | A | 0.0000 | |
| 423 | S | A | 0.0000 | |
| 424 | T | A | -0.0811 | |
| 425 | L | A | 0.2720 | |
| 426 | S | A | -0.2407 | |
| 427 | C | A | 0.0000 | |
| 428 | K | A | -2.4299 | |
| 429 | E | A | -2.3167 | |
| 430 | K | A | -2.2483 | |
| 431 | A | A | -2.0979 | |
| 432 | D | A | -2.9364 | |
| 433 | V | A | 0.0000 | |
| 434 | K | A | -3.2753 | |
| 435 | D | A | -3.3542 | |
| 436 | T | A | 0.0000 | |
| 437 | D | A | -2.1377 | |
| 438 | A | A | -1.2589 | |
| 439 | V | A | 0.0000 | |
| 440 | D | A | -2.2050 | |
| 441 | V | A | 0.0000 | |
| 442 | C | A | -0.6888 | |
| 443 | I | A | -0.1069 | |
| 444 | A | A | -0.7646 | |
| 445 | D | A | -2.0811 | |
| 446 | G | A | -1.4111 | |
| 447 | V | A | 0.0000 | |
| 448 | C | A | -1.1444 | |
| 449 | I | A | 0.0000 | |
| 450 | D | A | -2.5335 | |
| 451 | A | A | 0.0000 | |
| 452 | F | A | 0.3545 | |
| 453 | L | A | -0.6042 | |
| 454 | K | A | -1.0242 | |
| 455 | P | A | -0.5510 | |
| 456 | P | A | -0.4630 | |
| 457 | M | A | -0.3772 | |
| 458 | E | A | -2.2181 | |
| 459 | T | A | -2.1024 | |
| 460 | E | A | -3.3486 | |
| 461 | E | A | -3.1456 | |
| 462 | P | A | -1.4861 | |
| 463 | Q | A | -0.3826 | |
| 464 | I | A | 2.3359 | |
| 465 | F | A | 3.1242 | |
| 466 | Y | A | 2.1859 | |
| 467 | G | A | 0.5869 | |
| 468 | G | A | -0.7425 | |
| 469 | G | A | -0.9303 | |
| 470 | G | A | -1.0029 | |
| 471 | S | A | -0.8962 | |
| 472 | G | A | -1.0630 | |
| 473 | G | A | -1.1156 | |
| 474 | G | A | -1.1220 | |
| 475 | G | A | -1.1541 | |
| 476 | S | A | -0.9998 | |
| 477 | G | A | -1.1610 | |
| 478 | G | A | -1.1778 | |
| 479 | G | A | -1.3475 | |
| 480 | G | A | -1.8635 | |
| 481 | S | A | -1.9313 | |
| 482 | D | A | -2.7842 | |
| 483 | A | A | -1.8318 | |
| 484 | H | A | -2.1883 | |
| 485 | K | A | -3.0826 | |
| 486 | S | A | 0.0000 | |
| 487 | E | A | -1.5389 | |
| 488 | V | A | 0.0000 | |
| 489 | A | A | 0.0000 | |
| 490 | H | A | -1.8507 | |
| 491 | R | A | 0.0000 | |
| 492 | F | A | -1.8537 | |
| 493 | K | A | -2.6109 | |
| 494 | D | A | -2.7679 | |
| 495 | L | A | -1.9485 | |
| 496 | G | A | -2.1468 | |
| 497 | E | A | -2.4786 | |
| 498 | E | A | -2.4404 | |
| 499 | N | A | -1.7099 | |
| 500 | F | A | 0.0000 | |
| 501 | K | A | -1.2585 | |
| 502 | A | A | -0.8588 | |
| 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 | -0.8246 | |
| 515 | C | A | 0.0000 | |
| 516 | P | A | -1.1536 | |
| 517 | F | A | -1.6417 | |
| 518 | E | A | -2.7272 | |
| 519 | D | A | -2.4044 | |
| 520 | H | A | 0.0000 | |
| 521 | V | A | -2.0470 | |
| 522 | K | A | -3.0326 | |
| 523 | L | A | 0.0000 | |
| 524 | V | A | 0.0000 | |
| 525 | N | A | -2.5107 | |
| 526 | E | A | -3.0893 | |
| 527 | V | A | 0.0000 | |
| 528 | T | A | 0.0000 | |
| 529 | E | A | -2.7591 | |
| 530 | F | A | -1.6480 | |
| 531 | A | A | 0.0000 | |
| 532 | K | A | -1.9076 | |
| 533 | T | A | -1.3622 | |
| 534 | C | A | 0.0000 | |
| 535 | V | A | -0.8005 | |
| 536 | A | A | -0.6969 | |
| 537 | D | A | -1.9219 | |
| 538 | E | A | -2.3462 | |
| 539 | S | A | -1.9755 | |
| 540 | A | A | -1.8342 | |
| 541 | E | A | -2.7261 | |
| 542 | N | A | -2.2744 | |
| 543 | C | A | 0.0000 | |
| 544 | D | A | -3.3351 | |
| 545 | K | A | -2.2221 | |
| 546 | S | A | -1.1129 | |
| 547 | L | A | 0.0000 | |
| 548 | H | A | -0.7511 | |
| 549 | T | A | -0.9312 | |
| 550 | L | A | 0.0000 | |
| 551 | F | A | -0.3543 | |
| 552 | G | A | 0.0000 | |
| 553 | D | A | -0.7463 | |
| 554 | K | A | -0.8802 | |
| 555 | L | A | 0.0000 | |
| 556 | C | A | -0.4214 | |
| 557 | T | A | -0.1594 | |
| 558 | V | A | -0.3464 | |
| 559 | A | A | -0.4607 | |
| 560 | T | A | -1.1362 | |
| 561 | L | A | 0.0000 | |
| 562 | R | A | -3.3719 | |
| 563 | E | A | -2.9459 | |
| 564 | T | A | -1.7569 | |
| 565 | Y | A | -1.8116 | |
| 566 | G | A | -2.5069 | |
| 567 | E | A | -3.0384 | |
| 568 | M | A | 0.0000 | |
| 569 | A | A | -2.3207 | |
| 570 | D | A | -2.7388 | |
| 571 | C | A | 0.0000 | |
| 572 | C | A | -1.3655 | |
| 573 | A | A | -1.3084 | |
| 574 | K | A | -2.6695 | |
| 575 | Q | A | -2.4600 | |
| 576 | E | A | -2.3819 | |
| 577 | P | A | -2.3477 | |
| 578 | E | A | -3.2702 | |
| 579 | R | A | 0.0000 | |
| 580 | N | A | -2.2131 | |
| 581 | E | A | -2.9786 | |
| 582 | C | A | -2.4867 | |
| 583 | F | A | 0.0000 | |
| 584 | L | A | -1.4454 | |
| 585 | Q | A | -1.7782 | |
| 586 | H | A | -1.4511 | |
| 587 | K | A | 0.0000 | |
| 588 | D | A | -1.6350 | |
| 589 | D | A | -1.4955 | |
| 590 | N | A | -1.8986 | |
| 591 | P | A | -1.5688 | |
| 592 | N | A | -2.0097 | |
| 593 | L | A | -1.2084 | |
| 594 | P | A | -0.8142 | |
| 595 | R | A | -1.2756 | |
| 596 | L | A | 0.5412 | |
| 597 | V | A | 0.6588 | |
| 598 | R | A | -1.0997 | |
| 599 | P | A | -1.1549 | |
| 600 | E | A | -2.0780 | |
| 601 | V | A | 0.0000 | |
| 602 | D | A | -1.6360 | |
| 603 | V | A | 0.0659 | |
| 604 | M | A | 0.0000 | |
| 605 | C | A | 0.0000 | |
| 606 | T | A | -0.9225 | |
| 607 | A | A | -0.9468 | |
| 608 | F | A | 0.0000 | |
| 609 | H | A | -2.3879 | |
| 610 | D | A | -2.9026 | |
| 611 | N | A | -2.5545 | |
| 612 | E | A | -2.5402 | |
| 613 | E | A | -2.7489 | |
| 614 | T | A | -1.5885 | |
| 615 | F | A | -1.4400 | |
| 616 | L | A | -1.2716 | |
| 617 | K | A | -1.1076 | |
| 618 | K | A | -1.3380 | |
| 619 | Y | A | -0.3263 | |
| 620 | L | A | 0.0000 | |
| 621 | Y | A | 0.0000 | |
| 622 | E | A | -0.3177 | |
| 623 | I | A | -0.3192 | |
| 624 | A | A | 0.0000 | |
| 625 | R | A | -0.6356 | |
| 626 | R | A | -1.0104 | |
| 627 | H | A | -0.7696 | |
| 628 | P | A | 0.0000 | |
| 629 | Y | A | -0.2370 | |
| 630 | F | A | 0.0000 | |
| 631 | Y | A | -0.0337 | |
| 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 | -1.0031 | |
| 640 | K | A | -2.1071 | |
| 641 | R | A | -1.6983 | |
| 642 | Y | A | -1.1662 | |
| 643 | K | A | -1.7695 | |
| 644 | A | A | -1.4356 | |
| 645 | A | A | 0.0000 | |
| 646 | F | A | 0.0000 | |
| 647 | T | A | -1.5506 | |
| 648 | E | A | -2.3075 | |
| 649 | C | A | 0.0000 | |
| 650 | C | A | 0.0000 | |
| 651 | Q | A | -2.0688 | |
| 652 | A | A | -1.7049 | |
| 653 | A | A | -1.2127 | |
| 654 | D | A | -2.1751 | |
| 655 | K | A | -2.1241 | |
| 656 | A | A | -1.2141 | |
| 657 | A | A | -0.5929 | |
| 658 | C | A | -0.9269 | |
| 659 | L | A | 0.0000 | |
| 660 | L | A | -0.5780 | |
| 661 | P | A | -1.2433 | |
| 662 | K | A | -1.7132 | |
| 663 | L | A | -2.2354 | |
| 664 | D | A | -3.3987 | |
| 665 | E | A | -4.1438 | |
| 666 | L | A | 0.0000 | |
| 667 | R | A | -4.3761 | |
| 668 | D | A | -4.5726 | |
| 669 | E | A | -3.5572 | |
| 670 | G | A | -2.9302 | |
| 671 | K | A | -3.2780 | |
| 672 | A | A | -2.0973 | |
| 673 | S | A | -1.6097 | |
| 674 | S | A | 0.0000 | |
| 675 | A | A | -1.1416 | |
| 676 | K | A | -1.4074 | |
| 677 | Q | A | 0.0000 | |
| 678 | R | A | -0.6724 | |
| 679 | L | A | -0.5987 | |
| 680 | K | A | -0.6883 | |
| 681 | C | A | 0.0000 | |
| 682 | A | A | -0.9513 | |
| 683 | S | A | 0.0000 | |
| 684 | L | A | 0.0000 | |
| 685 | Q | A | -2.2625 | |
| 686 | K | A | -2.2730 | |
| 687 | F | A | -1.5951 | |
| 688 | G | A | -2.1468 | |
| 689 | E | A | -3.0720 | |
| 690 | R | A | -2.7849 | |
| 691 | A | A | -1.5293 | |
| 692 | F | A | 0.0000 | |
| 693 | K | A | -1.6969 | |
| 694 | A | A | -1.1544 | |
| 695 | W | A | -0.5011 | |
| 696 | A | A | 0.0000 | |
| 697 | V | A | 0.0000 | |
| 698 | A | A | 0.0000 | |
| 699 | R | A | -0.7948 | |
| 700 | L | A | 0.0000 | |
| 701 | S | A | 0.0000 | |
| 702 | Q | A | 0.0000 | |
| 703 | R | A | -2.1794 | |
| 704 | F | A | 0.0000 | |
| 705 | P | A | 0.0000 | |
| 706 | K | A | -2.6056 | |
| 707 | A | A | 0.0000 | |
| 708 | E | A | -2.2426 | |
| 709 | F | A | -1.0318 | |
| 710 | A | A | -0.7353 | |
| 711 | E | A | -0.9823 | |
| 712 | V | A | 0.0000 | |
| 713 | S | A | -0.4125 | |
| 714 | K | A | -0.5435 | |
| 715 | L | A | 0.0000 | |
| 716 | V | A | 0.0000 | |
| 717 | T | A | 0.0000 | |
| 718 | D | A | -0.6711 | |
| 719 | L | A | -0.4489 | |
| 720 | T | A | 0.0000 | |
| 721 | K | A | -1.5342 | |
| 722 | V | A | 0.0000 | |
| 723 | H | A | 0.0000 | |
| 724 | T | A | -1.1111 | |
| 725 | E | A | -1.0165 | |
| 726 | C | A | 0.0000 | |
| 727 | C | A | 0.0000 | |
| 728 | H | A | -0.9852 | |
| 729 | G | A | -0.6341 | |
| 730 | D | A | -0.6271 | |
| 731 | L | A | 0.0000 | |
| 732 | L | A | 0.0000 | |
| 733 | E | A | -1.2289 | |
| 734 | C | A | 0.0000 | |
| 735 | A | A | 0.0000 | |
| 736 | D | A | -1.5564 | |
| 737 | D | A | -2.0246 | |
| 738 | R | A | 0.0000 | |
| 739 | A | A | -1.6127 | |
| 740 | D | A | -2.5840 | |
| 741 | L | A | 0.0000 | |
| 742 | A | A | 0.0000 | |
| 743 | K | A | -2.6984 | |
| 744 | Y | A | -1.7641 | |
| 745 | I | A | 0.0000 | |
| 746 | C | A | -2.4960 | |
| 747 | E | A | -2.6252 | |
| 748 | N | A | -2.0149 | |
| 749 | Q | A | -2.4551 | |
| 750 | D | A | -2.9002 | |
| 751 | S | A | -2.0706 | |
| 752 | I | A | 0.0000 | |
| 753 | S | A | 0.0000 | |
| 754 | S | A | -2.3586 | |
| 755 | K | A | -2.9969 | |
| 756 | L | A | 0.0000 | |
| 757 | K | A | -3.6359 | |
| 758 | E | A | -3.5276 | |
| 759 | C | A | 0.0000 | |
| 760 | C | A | -2.8101 | |
| 761 | E | A | -3.0880 | |
| 762 | K | A | -2.1880 | |
| 763 | P | A | -0.7277 | |
| 764 | L | A | -0.1934 | |
| 765 | L | A | -0.2654 | |
| 766 | E | A | -1.3448 | |
| 767 | K | A | -1.3444 | |
| 768 | S | A | 0.0000 | |
| 769 | H | A | -0.8773 | |
| 770 | C | A | -1.3372 | |
| 771 | I | A | 0.0000 | |
| 772 | A | A | -1.2355 | |
| 773 | E | A | -2.4380 | |
| 774 | V | A | 0.0000 | |
| 775 | E | A | -3.3238 | |
| 776 | N | A | -3.1473 | |
| 777 | D | A | 0.0000 | |
| 778 | E | A | -2.6688 | |
| 779 | M | A | -1.4858 | |
| 780 | P | A | -1.2381 | |
| 781 | A | A | -0.9486 | |
| 782 | D | A | -1.6895 | |
| 783 | L | A | -0.7918 | |
| 784 | P | A | -0.8536 | |
| 785 | S | A | -0.7067 | |
| 786 | L | A | -0.4397 | |
| 787 | A | A | -0.6219 | |
| 788 | A | A | -1.2924 | |
| 789 | D | A | -1.5057 | |
| 790 | F | A | 0.0000 | |
| 791 | V | A | 0.0000 | |
| 792 | E | A | -2.7075 | |
| 793 | S | A | -2.1029 | |
| 794 | K | A | -3.2964 | |
| 795 | D | A | -2.4296 | |
| 796 | V | A | 0.0000 | |
| 797 | C | A | -1.7718 | |
| 798 | K | A | -2.5451 | |
| 799 | N | A | -1.9585 | |
| 800 | Y | A | 0.0000 | |
| 801 | A | A | -1.6854 | |
| 802 | E | A | -1.7351 | |
| 803 | A | A | 0.0000 | |
| 804 | K | A | -2.1542 | |
| 805 | D | A | -2.4041 | |
| 806 | V | A | -1.0441 | |
| 807 | F | A | 0.0000 | |
| 808 | L | A | 0.0000 | |
| 809 | G | A | -0.5983 | |
| 810 | M | A | -0.1765 | |
| 811 | F | A | 0.0000 | |
| 812 | L | A | 0.0000 | |
| 813 | Y | A | 0.0000 | |
| 814 | E | A | -0.5437 | |
| 815 | Y | A | 0.0000 | |
| 816 | A | A | 0.0000 | |
| 817 | R | A | -1.1866 | |
| 818 | R | A | -0.4842 | |
| 819 | H | A | -0.5899 | |
| 820 | P | A | -1.3450 | |
| 821 | D | A | -1.6332 | |
| 822 | Y | A | -0.6864 | |
| 823 | S | A | 0.0000 | |
| 824 | V | A | 0.0000 | |
| 825 | V | A | 0.0938 | |
| 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 | -0.5956 | |
| 832 | K | A | -1.2428 | |
| 833 | T | A | -0.8878 | |
| 834 | Y | A | 0.0000 | |
| 835 | E | A | 0.0000 | |
| 836 | T | A | -1.4700 | |
| 837 | T | A | -1.5994 | |
| 838 | L | A | 0.0000 | |
| 839 | E | A | -2.6401 | |
| 840 | K | A | -2.5139 | |
| 841 | C | A | 0.0000 | |
| 842 | C | A | -1.3484 | |
| 843 | A | A | -0.9868 | |
| 844 | A | A | -1.2910 | |
| 845 | A | A | -1.0098 | |
| 846 | D | A | -2.3557 | |
| 847 | P | A | -2.0194 | |
| 848 | H | A | -2.6888 | |
| 849 | E | A | -3.0721 | |
| 850 | C | A | -1.8366 | |
| 851 | Y | A | 0.0000 | |
| 852 | A | A | -2.0268 | |
| 853 | K | A | -2.3317 | |
| 854 | V | A | 0.0000 | |
| 855 | F | A | -1.3605 | |
| 856 | D | A | -2.9466 | |
| 857 | E | A | -2.4812 | |
| 858 | F | A | 0.0000 | |
| 859 | K | A | -2.8129 | |
| 860 | P | A | -2.0700 | |
| 861 | L | A | -1.3141 | |
| 862 | V | A | 0.0000 | |
| 863 | E | A | -2.3210 | |
| 864 | E | A | -2.0382 | |
| 865 | P | A | 0.0000 | |
| 866 | Q | A | -2.5886 | |
| 867 | N | A | -2.5519 | |
| 868 | L | A | -1.6589 | |
| 869 | I | A | 0.0000 | |
| 870 | K | A | -3.3257 | |
| 871 | Q | A | -2.7621 | |
| 872 | N | A | -2.0303 | |
| 873 | C | A | 0.0000 | |
| 874 | E | A | -3.3465 | |
| 875 | L | A | -2.2566 | |
| 876 | F | A | -2.3169 | |
| 877 | E | A | -3.1432 | |
| 878 | Q | A | -2.5975 | |
| 879 | L | A | -1.7237 | |
| 880 | G | A | -1.6140 | |
| 881 | E | A | -1.7434 | |
| 882 | Y | A | -1.2354 | |
| 883 | K | A | -1.8811 | |
| 884 | F | A | 0.0000 | |
| 885 | Q | A | 0.0000 | |
| 886 | N | A | -1.1933 | |
| 887 | A | A | -1.0697 | |
| 888 | L | A | 0.0000 | |
| 889 | L | A | 0.0000 | |
| 890 | V | A | 0.0000 | |
| 891 | R | A | -1.0422 | |
| 892 | Y | A | -0.5216 | |
| 893 | T | A | 0.0000 | |
| 894 | K | A | -1.1584 | |
| 895 | K | A | -0.9715 | |
| 896 | V | A | 0.0000 | |
| 897 | P | A | 0.0000 | |
| 898 | Q | A | -0.4149 | |
| 899 | V | A | 0.0000 | |
| 900 | S | A | -0.2277 | |
| 901 | T | A | 0.0000 | |
| 902 | P | A | -0.5806 | |
| 903 | T | A | -0.6715 | |
| 904 | L | A | 0.0000 | |
| 905 | V | A | 0.0000 | |
| 906 | E | A | -1.4840 | |
| 907 | V | A | 0.0000 | |
| 908 | S | A | 0.0000 | |
| 909 | R | A | -0.9259 | |
| 910 | N | A | -0.8654 | |
| 911 | L | A | 0.0000 | |
| 912 | G | A | 0.0000 | |
| 913 | K | A | -1.2106 | |
| 914 | V | A | -0.7654 | |
| 915 | G | A | 0.0000 | |
| 916 | S | A | -1.6729 | |
| 917 | K | A | -1.7995 | |
| 918 | C | A | 0.0000 | |
| 919 | C | A | 0.0000 | |
| 920 | K | A | -2.8432 | |
| 921 | H | A | -2.3815 | |
| 922 | P | A | -2.1978 | |
| 923 | E | A | -3.2782 | |
| 924 | A | A | -2.1771 | |
| 925 | K | A | -2.8704 | |
| 926 | R | A | -2.7113 | |
| 927 | M | A | 0.0000 | |
| 928 | P | A | -0.8855 | |
| 929 | C | A | -0.7091 | |
| 930 | A | A | 0.0000 | |
| 931 | E | A | 0.0000 | |
| 932 | D | A | -0.1258 | |
| 933 | Y | A | -0.1673 | |
| 934 | L | A | 0.0922 | |
| 935 | S | A | -0.1009 | |
| 936 | V | A | 0.0000 | |
| 937 | V | A | 0.0000 | |
| 938 | L | A | 0.0000 | |
| 939 | N | A | 0.0000 | |
| 940 | Q | A | -0.5264 | |
| 941 | L | A | 0.0000 | |
| 942 | C | A | 0.0000 | |
| 943 | V | A | 0.0000 | |
| 944 | L | A | -1.0740 | |
| 945 | H | A | 0.0000 | |
| 946 | E | A | -2.3178 | |
| 947 | K | A | -2.2652 | |
| 948 | T | A | -1.0981 | |
| 949 | P | A | -1.0887 | |
| 950 | V | A | -0.1883 | |
| 951 | S | A | 0.0000 | |
| 952 | D | A | -2.2024 | |
| 953 | R | A | -1.5266 | |
| 954 | V | A | 0.0000 | |
| 955 | T | A | -1.9734 | |
| 956 | K | A | -2.4812 | |
| 957 | C | A | 0.0000 | |
| 958 | C | A | 0.0000 | |
| 959 | T | A | -1.8017 | |
| 960 | E | A | -2.2458 | |
| 961 | S | A | -1.3001 | |
| 962 | L | A | -0.4076 | |
| 963 | V | A | -0.3616 | |
| 964 | N | A | -0.8943 | |
| 965 | R | A | 0.0000 | |
| 966 | R | A | 0.0000 | |
| 967 | P | A | -0.2980 | |
| 968 | C | A | -0.5114 | |
| 969 | F | A | 0.0000 | |
| 970 | S | A | -0.2851 | |
| 971 | A | A | -0.3427 | |
| 972 | L | A | -0.7271 | |
| 973 | E | A | -1.8637 | |
| 974 | V | A | -1.1694 | |
| 975 | D | A | 0.0000 | |
| 976 | E | A | -1.8695 | |
| 977 | T | A | -0.3560 | |
| 978 | Y | A | 0.2174 | |
| 979 | V | A | 0.9378 | |
| 980 | P | A | -0.4529 | |
| 981 | K | A | -1.5325 | |
| 982 | E | A | -2.0891 | |
| 983 | F | A | -1.1714 | |
| 984 | N | A | -1.5827 | |
| 985 | A | A | -1.3498 | |
| 986 | E | A | -1.8610 | |
| 987 | T | A | -0.9099 | |
| 988 | F | A | -0.5404 | |
| 989 | T | A | -0.9330 | |
| 990 | F | A | -0.9057 | |
| 991 | H | A | -1.5901 | |
| 992 | A | A | -1.8506 | |
| 993 | D | A | -2.1810 | |
| 994 | I | A | 0.0000 | |
| 995 | C | A | -1.3794 | |
| 996 | T | A | -0.7699 | |
| 997 | L | A | -1.2910 | |
| 998 | S | A | -1.6610 | |
| 999 | E | A | -3.0380 | |
| 1000 | K | A | -2.9877 | |
| 1001 | E | A | -2.1501 | |
| 1002 | R | A | -2.4231 | |
| 1003 | Q | A | -1.7968 | |
| 1004 | I | A | -1.1459 | |
| 1005 | K | A | -1.3653 | |
| 1006 | K | A | -0.9418 | |
| 1007 | Q | A | 0.0000 | |
| 1008 | T | A | -0.5193 | |
| 1009 | A | A | 0.0000 | |
| 1010 | L | A | 0.0000 | |
| 1011 | V | A | 0.0000 | |
| 1012 | E | A | -0.3770 | |
| 1013 | L | A | 0.0000 | |
| 1014 | V | A | 0.0000 | |
| 1015 | K | A | 0.0000 | |
| 1016 | H | A | 0.0000 | |
| 1017 | K | A | -0.9307 | |
| 1018 | P | A | 0.0000 | |
| 1019 | K | A | -2.2357 | |
| 1020 | A | A | 0.0000 | |
| 1021 | T | A | -2.2712 | |
| 1022 | K | A | -3.3406 | |
| 1023 | E | A | -3.3999 | |
| 1024 | Q | A | -2.5080 | |
| 1025 | L | A | 0.0000 | |
| 1026 | K | A | -3.6271 | |
| 1027 | A | A | -2.6702 | |
| 1028 | V | A | 0.0000 | |
| 1029 | M | A | -2.1346 | |
| 1030 | D | A | -3.0070 | |
| 1031 | D | A | -2.9555 | |
| 1032 | F | A | 0.0000 | |
| 1033 | A | A | -1.8210 | |
| 1034 | A | A | -2.0199 | |
| 1035 | F | A | 0.0000 | |
| 1036 | V | A | 0.0000 | |
| 1037 | E | A | -3.0229 | |
| 1038 | K | A | -2.9399 | |
| 1039 | C | A | 0.0000 | |
| 1040 | C | A | -2.7627 | |
| 1041 | K | A | -3.2703 | |
| 1042 | A | A | -3.0992 | |
| 1043 | D | A | -3.2428 | |
| 1044 | D | A | -3.3197 | |
| 1045 | K | A | -3.2590 | |
| 1046 | E | A | -2.8170 | |
| 1047 | T | A | -2.1209 | |
| 1048 | C | A | -2.6006 | |
| 1049 | F | A | 0.0000 | |
| 1050 | A | A | -2.1074 | |
| 1051 | E | A | -3.1291 | |
| 1052 | E | A | -2.6799 | |
| 1053 | G | A | -2.1088 | |
| 1054 | K | A | -3.0714 | |
| 1055 | K | A | -2.9761 | |
| 1056 | L | A | -1.8042 | |
| 1057 | V | A | -0.8450 | |
| 1058 | A | A | -0.7240 | |
| 1059 | A | A | -0.6910 | |
| 1060 | S | A | -0.5069 | |
| 1061 | Q | A | 0.1715 | |
| 1062 | A | A | 0.2830 | |
| 1063 | A | A | 0.0526 | |
| 1064 | L | A | 0.0000 | |
| 1065 | G | A | 0.1523 | |
| 1066 | L | A | 1.2377 |
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 | -0.5676 | 7.8555 | View | CSV | PDB |
| 4.5 | -0.6559 | 7.8555 | View | CSV | PDB |
| 5.0 | -0.7647 | 7.8555 | View | CSV | PDB |
| 5.5 | -0.8731 | 7.8555 | View | CSV | PDB |
| 6.0 | -0.959 | 7.8555 | View | CSV | PDB |
| 6.5 | -1.0064 | 7.8555 | View | CSV | PDB |
| 7.0 | -1.0139 | 7.8555 | View | CSV | PDB |
| 7.5 | -0.9934 | 7.8555 | View | CSV | PDB |
| 8.0 | -0.9568 | 7.8555 | View | CSV | PDB |
| 8.5 | -0.9089 | 7.8555 | View | CSV | PDB |
| 9.0 | -0.8497 | 7.8555 | 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