| Chain sequence(s) |
A: MFQTKLRNETWEDLPKMSCTTEIQAAFILSSFVTFFSGLIILLIFRLIWRSVKKWQIIKGTGIILELFTSGTIARSHVRSLHFQGQFRDHIEMLLSAQTFVGQVLVILVFVLSIGSLIIYFINSADPVGSCSSYEDKTIPIDLVFNAFFSFYFGLRFMAADDKIKFWLEMNSIVDIFTIPPTFISYYLKSNWLGLRFLRALRLLELPQILQILRAIKTSNSVKFSKLLSIILSTWFTAAGFIHLVENSGDPWLKGRNSQNISYFESIYLVMATTSTVGFGDVVAKTSLGRTFIMFFTLGSLILFANYIPEMVELFANKRKYTSSYEALKGKKFIVVCGNITVDSVTAFLRNFLRDKSGEINTEIVFLGETPPSLELETIFKCYLAYTTFISGSAMKWEDLRRVAVESAEACLIIANPLCSDSHAEDISNIMRVLSIKNYDSTTRIIIQILQSHNKVYLPKIPSWNWDTGDNIICFAELKLGFIAQGCLVPGLCTFLTSLFVEQNKKVMPKQTWKKHFLNSMKNKILTQRLSDDFAGMSFPEVARLCFLKMHLLLIAIEYKSLFTDGFCGLILNPPPQVRIRKNTLGFFIAETPKDVRRALFYCSVCHDDVFIPELITNCGCKSRSRQHITVPSVKRMKKCLKGISSRISGQDSPPRVSASTSSISNFTTRTLQHDVEQDSDQLDSSGMFHWCKPTSLDKVTLKRTGKSKYKFRNHIVACVFGDAHSAPMGLRNFVMPLRASNYTRKELKDIVFIGSLDYLQREWRFLWNFPQIYILPGCALYSGDLHAANIEQCSMCAVLSPPPQPSSNQTLVDTEAIMATLTIGSLQIDSSSDPSPSVSEETPGYTNGHNEKSNCRKVPILTELKNPSNIHFIEQLGGLEGSLQETNLHLSTAFSTGTVFSGSFLDSLLATAFYNYHVLELLQMLVTGGVSSQLEQHLDKDKVYGVADSCTSLLSGRNRCKLGLLSLHETILSDVNPRNTFGQLFCGSLDLFGILCVGLYRIIDEEELNPENKRFVITRPANEFKLLPSDLVFCAIPFSTACYKRNEEFSLQKSYEIVNKASQTTETHSDTNCPPTIDSVTETLYSPVYSYQPRTNSLSFPKQIAWNQSRTNSIISSQIPLGDNAKENERKTSDEVYDEDPFAYSEPL
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. (00:00:09)
[INFO] FoldX: Starting FoldX energy minimization (00:00:10)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:22:05)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/161fe8f16f70dfd/tmp/folded.pdb (00:22:05)
[INFO] Main: Simulation completed successfully. (00:30:48)
|
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 | 1.4359 | |
| 2 | F | A | 1.6891 | |
| 3 | Q | A | -0.3713 | |
| 4 | T | A | -0.6785 | |
| 5 | K | A | -1.4495 | |
| 6 | L | A | -0.8266 | |
| 7 | R | A | -2.7302 | |
| 8 | N | A | -2.7796 | |
| 9 | E | A | -2.4085 | |
| 10 | T | A | -1.3998 | |
| 11 | W | A | -0.3826 | |
| 12 | E | A | -1.9886 | |
| 13 | D | A | -1.9350 | |
| 14 | L | A | -0.1522 | |
| 15 | P | A | -0.8339 | |
| 16 | K | A | -1.4947 | |
| 17 | M | A | -0.1443 | |
| 18 | S | A | -0.4874 | |
| 19 | C | A | 0.0000 | |
| 20 | T | A | -0.6611 | |
| 21 | T | A | -1.1952 | |
| 22 | E | A | -1.7907 | |
| 23 | I | A | -0.4143 | |
| 24 | Q | A | -0.4393 | |
| 25 | A | A | -0.1065 | |
| 26 | A | A | 0.2876 | |
| 27 | F | A | 0.0000 | |
| 28 | I | A | 1.5612 | |
| 29 | L | A | 2.3898 | |
| 30 | S | A | 1.7020 | |
| 31 | S | A | 0.0000 | |
| 32 | F | A | 2.7088 | |
| 33 | V | A | 3.1971 | |
| 34 | T | A | 2.0366 | |
| 35 | F | A | 0.0000 | |
| 36 | F | A | 3.4643 | |
| 37 | S | A | 2.5660 | |
| 38 | G | A | 2.3039 | |
| 39 | L | A | 3.1399 | |
| 40 | I | A | 3.8531 | |
| 41 | I | A | 3.5321 | |
| 42 | L | A | 2.8390 | |
| 43 | L | A | 3.1060 | |
| 44 | I | A | 3.6096 | |
| 45 | F | A | 3.3724 | |
| 46 | R | A | 1.8402 | |
| 47 | L | A | 2.3853 | |
| 48 | I | A | 2.3379 | |
| 49 | W | A | 1.5056 | |
| 50 | R | A | -0.9321 | |
| 51 | S | A | 0.1783 | |
| 52 | V | A | 0.7593 | |
| 53 | K | A | -1.1683 | |
| 54 | K | A | -1.2643 | |
| 55 | W | A | 0.2502 | |
| 56 | Q | A | -0.7822 | |
| 57 | I | A | 1.0423 | |
| 58 | I | A | 0.7678 | |
| 59 | K | A | -1.0511 | |
| 60 | G | A | -0.4964 | |
| 61 | T | A | 0.1156 | |
| 62 | G | A | 0.7136 | |
| 63 | I | A | 2.9268 | |
| 64 | I | A | 3.8197 | |
| 65 | L | A | 3.1384 | |
| 66 | E | A | 1.1952 | |
| 67 | L | A | 2.8552 | |
| 68 | F | A | 3.0954 | |
| 69 | T | A | 1.5211 | |
| 70 | S | A | 0.5117 | |
| 71 | G | A | -0.1678 | |
| 72 | T | A | 0.1433 | |
| 73 | I | A | 1.1239 | |
| 74 | A | A | -0.3824 | |
| 75 | R | A | -1.8612 | |
| 76 | S | A | -1.2619 | |
| 77 | H | A | -0.9411 | |
| 78 | V | A | -0.5170 | |
| 79 | R | A | -1.7351 | |
| 80 | S | A | -0.8055 | |
| 81 | L | A | 0.4653 | |
| 82 | H | A | -0.6970 | |
| 83 | F | A | 0.3018 | |
| 84 | Q | A | -0.9156 | |
| 85 | G | A | -1.4594 | |
| 86 | Q | A | -1.8552 | |
| 87 | F | A | -0.8272 | |
| 88 | R | A | -2.2456 | |
| 89 | D | A | -3.0285 | |
| 90 | H | A | -2.3778 | |
| 91 | I | A | 0.0000 | |
| 92 | E | A | -2.1902 | |
| 93 | M | A | -0.9768 | |
| 94 | L | A | -0.0016 | |
| 95 | L | A | -0.2824 | |
| 96 | S | A | -0.1923 | |
| 97 | A | A | 0.4139 | |
| 98 | Q | A | -0.4771 | |
| 99 | T | A | 0.9254 | |
| 100 | F | A | 2.3279 | |
| 101 | V | A | 2.3193 | |
| 102 | G | A | 0.0000 | |
| 103 | Q | A | 1.5003 | |
| 104 | V | A | 2.4048 | |
| 105 | L | A | 1.8318 | |
| 106 | V | A | 1.9149 | |
| 107 | I | A | 2.5246 | |
| 108 | L | A | 2.2382 | |
| 109 | V | A | 0.0000 | |
| 110 | F | A | 2.1996 | |
| 111 | V | A | 2.7560 | |
| 112 | L | A | 2.1457 | |
| 113 | S | A | 1.6157 | |
| 114 | I | A | 1.9803 | |
| 115 | G | A | 1.5515 | |
| 116 | S | A | 0.0000 | |
| 117 | L | A | 0.0000 | |
| 118 | I | A | 2.0839 | |
| 119 | I | A | 0.0000 | |
| 120 | Y | A | 0.0000 | |
| 121 | F | A | 1.8670 | |
| 122 | I | A | 2.3229 | |
| 123 | N | A | 0.8011 | |
| 124 | S | A | 0.0000 | |
| 125 | A | A | 0.4619 | |
| 126 | D | A | -0.5850 | |
| 127 | P | A | -1.2409 | |
| 128 | V | A | 0.0000 | |
| 129 | G | A | -0.9004 | |
| 130 | S | A | -0.8106 | |
| 131 | C | A | 0.0000 | |
| 132 | S | A | -1.1891 | |
| 133 | S | A | -1.2446 | |
| 134 | Y | A | -1.3528 | |
| 135 | E | A | -2.6893 | |
| 136 | D | A | -2.3159 | |
| 137 | K | A | -2.3061 | |
| 138 | T | A | -0.7093 | |
| 139 | I | A | 0.0000 | |
| 140 | P | A | 0.3222 | |
| 141 | I | A | 1.1573 | |
| 142 | D | A | 0.0000 | |
| 143 | L | A | 1.6630 | |
| 144 | V | A | 2.3661 | |
| 145 | F | A | 1.5289 | |
| 146 | N | A | 0.0000 | |
| 147 | A | A | 1.6002 | |
| 148 | F | A | 1.6708 | |
| 149 | F | A | 0.0000 | |
| 150 | S | A | 1.2350 | |
| 151 | F | A | 2.1006 | |
| 152 | Y | A | 1.3099 | |
| 153 | F | A | 0.9068 | |
| 154 | G | A | 0.9023 | |
| 155 | L | A | 0.0000 | |
| 156 | R | A | 0.2653 | |
| 157 | F | A | 0.5324 | |
| 158 | M | A | 0.1049 | |
| 159 | A | A | 0.0000 | |
| 160 | A | A | -1.2695 | |
| 161 | D | A | -2.1477 | |
| 162 | D | A | -1.7555 | |
| 163 | K | A | -1.1984 | |
| 164 | I | A | -0.4696 | |
| 165 | K | A | -1.8939 | |
| 166 | F | A | -0.9079 | |
| 167 | W | A | 0.0219 | |
| 168 | L | A | 0.2753 | |
| 169 | E | A | -0.9680 | |
| 170 | M | A | 0.1472 | |
| 171 | N | A | -0.1346 | |
| 172 | S | A | 0.0000 | |
| 173 | I | A | 0.5019 | |
| 174 | V | A | 0.0000 | |
| 175 | D | A | 0.0000 | |
| 176 | I | A | 0.0000 | |
| 177 | F | A | 0.5652 | |
| 178 | T | A | 0.0000 | |
| 179 | I | A | 0.0000 | |
| 180 | P | A | 0.3730 | |
| 181 | P | A | 0.8270 | |
| 182 | T | A | 0.0000 | |
| 183 | F | A | 1.2899 | |
| 184 | I | A | 1.3053 | |
| 185 | S | A | 0.0000 | |
| 186 | Y | A | 1.4843 | |
| 187 | Y | A | 1.8281 | |
| 188 | L | A | 1.0884 | |
| 189 | K | A | -0.6587 | |
| 190 | S | A | -0.2590 | |
| 191 | N | A | 0.0000 | |
| 192 | W | A | 0.0000 | |
| 193 | L | A | 0.0000 | |
| 194 | G | A | 0.0000 | |
| 195 | L | A | 0.5373 | |
| 196 | R | A | 0.0000 | |
| 197 | F | A | 0.0000 | |
| 198 | L | A | 0.4964 | |
| 199 | R | A | 0.0000 | |
| 200 | A | A | 0.0000 | |
| 201 | L | A | 0.5729 | |
| 202 | R | A | 0.0000 | |
| 203 | L | A | 0.8298 | |
| 204 | L | A | 0.4357 | |
| 205 | E | A | -0.1717 | |
| 206 | L | A | 0.2232 | |
| 207 | P | A | 0.0000 | |
| 208 | Q | A | -0.8850 | |
| 209 | I | A | 0.0000 | |
| 210 | L | A | -0.2255 | |
| 211 | Q | A | -1.1447 | |
| 212 | I | A | -0.3597 | |
| 213 | L | A | -0.2459 | |
| 214 | R | A | -1.8444 | |
| 215 | A | A | -0.8630 | |
| 216 | I | A | -1.3393 | |
| 217 | K | A | -2.1385 | |
| 218 | T | A | -1.3977 | |
| 219 | S | A | -1.0362 | |
| 220 | N | A | -0.8048 | |
| 221 | S | A | -0.6725 | |
| 222 | V | A | -1.0750 | |
| 223 | K | A | -1.2335 | |
| 224 | F | A | 0.1177 | |
| 225 | S | A | -0.2705 | |
| 226 | K | A | -0.8219 | |
| 227 | L | A | 0.0000 | |
| 228 | L | A | 0.8642 | |
| 229 | S | A | 0.0000 | |
| 230 | I | A | 0.8519 | |
| 231 | I | A | 0.0000 | |
| 232 | L | A | 0.9037 | |
| 233 | S | A | 0.0000 | |
| 234 | T | A | 0.6163 | |
| 235 | W | A | 0.7495 | |
| 236 | F | A | 0.9180 | |
| 237 | T | A | 0.5457 | |
| 238 | A | A | 0.0000 | |
| 239 | A | A | 0.0000 | |
| 240 | G | A | 0.0000 | |
| 241 | F | A | 0.9134 | |
| 242 | I | A | 0.0000 | |
| 243 | H | A | 0.0000 | |
| 244 | L | A | 0.1467 | |
| 245 | V | A | 0.0000 | |
| 246 | E | A | 0.0000 | |
| 247 | N | A | -0.9386 | |
| 248 | S | A | -1.0852 | |
| 249 | G | A | 0.0000 | |
| 250 | D | A | 0.0000 | |
| 251 | P | A | -0.4000 | |
| 252 | W | A | 0.4738 | |
| 253 | L | A | -0.6081 | |
| 254 | K | A | -1.9105 | |
| 255 | G | A | -1.7567 | |
| 256 | R | A | -2.3739 | |
| 257 | N | A | -2.0674 | |
| 258 | S | A | -1.8350 | |
| 259 | Q | A | -1.5409 | |
| 260 | N | A | -1.6227 | |
| 261 | I | A | 0.0000 | |
| 262 | S | A | -0.3229 | |
| 263 | Y | A | 0.0000 | |
| 264 | F | A | 1.5691 | |
| 265 | E | A | 0.0434 | |
| 266 | S | A | 0.0000 | |
| 267 | I | A | 0.9830 | |
| 268 | Y | A | 0.9139 | |
| 269 | L | A | 0.0000 | |
| 270 | V | A | 0.0000 | |
| 271 | M | A | 0.7179 | |
| 272 | A | A | 0.0000 | |
| 273 | T | A | 1.0940 | |
| 274 | T | A | 0.0000 | |
| 275 | S | A | 0.7368 | |
| 276 | T | A | 1.1013 | |
| 277 | V | A | 2.0211 | |
| 278 | G | A | 1.1089 | |
| 279 | F | A | 1.6445 | |
| 280 | G | A | 0.1363 | |
| 281 | D | A | -1.0631 | |
| 282 | V | A | -0.2364 | |
| 283 | V | A | 0.2075 | |
| 284 | A | A | 0.0000 | |
| 285 | K | A | -1.7954 | |
| 286 | T | A | 0.0000 | |
| 287 | S | A | -0.7704 | |
| 288 | L | A | -0.0835 | |
| 289 | G | A | 0.0000 | |
| 290 | R | A | -1.2046 | |
| 291 | T | A | 0.2567 | |
| 292 | F | A | 1.0517 | |
| 293 | I | A | 1.2224 | |
| 294 | M | A | 1.8413 | |
| 295 | F | A | 2.7372 | |
| 296 | F | A | 2.0416 | |
| 297 | T | A | 2.1912 | |
| 298 | L | A | 2.9905 | |
| 299 | G | A | 2.0917 | |
| 300 | S | A | 0.0000 | |
| 301 | L | A | 2.2641 | |
| 302 | I | A | 2.7078 | |
| 303 | L | A | 1.7241 | |
| 304 | F | A | 1.3378 | |
| 305 | A | A | 0.7518 | |
| 306 | N | A | -0.2799 | |
| 307 | Y | A | 0.6785 | |
| 308 | I | A | 0.4623 | |
| 309 | P | A | -0.3360 | |
| 310 | E | A | -0.6824 | |
| 311 | M | A | 0.5452 | |
| 312 | V | A | 1.3584 | |
| 313 | E | A | -0.9150 | |
| 314 | L | A | -0.0589 | |
| 315 | F | A | 1.1008 | |
| 316 | A | A | -0.5638 | |
| 317 | N | A | -1.9911 | |
| 318 | K | A | -2.2254 | |
| 319 | R | A | -3.0238 | |
| 320 | K | A | -2.9786 | |
| 321 | Y | A | -1.5397 | |
| 322 | T | A | -1.4353 | |
| 323 | S | A | -1.2851 | |
| 324 | S | A | -1.0786 | |
| 325 | Y | A | -0.9837 | |
| 326 | E | A | -1.6281 | |
| 327 | A | A | -1.1067 | |
| 328 | L | A | -0.5256 | |
| 329 | K | A | -1.9981 | |
| 330 | G | A | -2.0004 | |
| 331 | K | A | -2.6923 | |
| 332 | K | A | -2.9204 | |
| 333 | F | A | 0.0000 | |
| 334 | I | A | 0.0000 | |
| 335 | V | A | 0.0000 | |
| 336 | V | A | 0.0000 | |
| 337 | C | A | 0.0000 | |
| 338 | G | A | 0.0000 | |
| 339 | N | A | -0.6293 | |
| 340 | I | A | -0.4411 | |
| 341 | T | A | -0.6536 | |
| 342 | V | A | -0.7078 | |
| 343 | D | A | -1.6424 | |
| 344 | S | A | -1.0840 | |
| 345 | V | A | 0.0000 | |
| 346 | T | A | -0.9799 | |
| 347 | A | A | -1.1698 | |
| 348 | F | A | 0.0000 | |
| 349 | L | A | 0.0000 | |
| 350 | R | A | -2.2909 | |
| 351 | N | A | -1.7840 | |
| 352 | F | A | 0.0000 | |
| 353 | L | A | 0.0000 | |
| 354 | R | A | -2.9013 | |
| 355 | D | A | -3.5442 | |
| 356 | K | A | -3.4672 | |
| 357 | S | A | -2.3696 | |
| 358 | G | A | -2.2414 | |
| 359 | E | A | -2.7710 | |
| 360 | I | A | -1.9358 | |
| 361 | N | A | -2.4975 | |
| 362 | T | A | -1.8642 | |
| 363 | E | A | -0.7748 | |
| 364 | I | A | 0.0000 | |
| 365 | V | A | 0.0000 | |
| 366 | F | A | 0.0000 | |
| 367 | L | A | 0.0000 | |
| 368 | G | A | 0.0000 | |
| 369 | E | A | -1.7174 | |
| 370 | T | A | -1.0102 | |
| 371 | P | A | -0.7221 | |
| 372 | P | A | -0.3434 | |
| 373 | S | A | -0.0982 | |
| 374 | L | A | 0.5229 | |
| 375 | E | A | -1.0548 | |
| 376 | L | A | 0.0000 | |
| 377 | E | A | -0.5456 | |
| 378 | T | A | -0.4532 | |
| 379 | I | A | 0.0244 | |
| 380 | F | A | 0.0000 | |
| 381 | K | A | -0.7669 | |
| 382 | C | A | 0.6967 | |
| 383 | Y | A | 1.2264 | |
| 384 | L | A | 1.5446 | |
| 385 | A | A | 0.9868 | |
| 386 | Y | A | 0.7960 | |
| 387 | T | A | 0.0000 | |
| 388 | T | A | 0.2837 | |
| 389 | F | A | 0.0000 | |
| 390 | I | A | 0.0000 | |
| 391 | S | A | -0.9240 | |
| 392 | G | A | -1.1178 | |
| 393 | S | A | -1.0287 | |
| 394 | A | A | 0.0000 | |
| 395 | M | A | -0.2534 | |
| 396 | K | A | -1.4102 | |
| 397 | W | A | -0.8705 | |
| 398 | E | A | -2.1772 | |
| 399 | D | A | -1.7206 | |
| 400 | L | A | 0.0000 | |
| 401 | R | A | -2.7361 | |
| 402 | R | A | -1.8102 | |
| 403 | V | A | 0.0000 | |
| 404 | A | A | -1.8462 | |
| 405 | V | A | 0.0000 | |
| 406 | E | A | -2.2733 | |
| 407 | S | A | -1.6464 | |
| 408 | A | A | -1.4563 | |
| 409 | E | A | -1.5614 | |
| 410 | A | A | 0.0000 | |
| 411 | C | A | 0.0000 | |
| 412 | L | A | 0.0000 | |
| 413 | I | A | 0.0000 | |
| 414 | I | A | 0.0000 | |
| 415 | A | A | 0.0000 | |
| 416 | N | A | -0.5866 | |
| 417 | P | A | -0.2070 | |
| 418 | L | A | 0.0761 | |
| 419 | C | A | -0.6405 | |
| 420 | S | A | -1.3538 | |
| 421 | D | A | -2.0584 | |
| 422 | S | A | 0.0000 | |
| 423 | H | A | -1.2332 | |
| 424 | A | A | -0.7328 | |
| 425 | E | A | -0.7332 | |
| 426 | D | A | 0.0000 | |
| 427 | I | A | 0.5310 | |
| 428 | S | A | 0.2672 | |
| 429 | N | A | 0.0000 | |
| 430 | I | A | 0.0000 | |
| 431 | M | A | 0.6339 | |
| 432 | R | A | 0.0000 | |
| 433 | V | A | 0.0000 | |
| 434 | L | A | 0.0436 | |
| 435 | S | A | -0.1435 | |
| 436 | I | A | 0.0000 | |
| 437 | K | A | 0.0000 | |
| 438 | N | A | -1.1204 | |
| 439 | Y | A | -0.8616 | |
| 440 | D | A | -1.1305 | |
| 441 | S | A | -0.9612 | |
| 442 | T | A | -0.7800 | |
| 443 | T | A | 0.0000 | |
| 444 | R | A | -0.7190 | |
| 445 | I | A | 0.0000 | |
| 446 | I | A | 0.0000 | |
| 447 | I | A | 0.0000 | |
| 448 | Q | A | 0.0000 | |
| 449 | I | A | 0.0000 | |
| 450 | L | A | 0.0000 | |
| 451 | Q | A | 0.0000 | |
| 452 | S | A | -0.0006 | |
| 453 | H | A | 0.0836 | |
| 454 | N | A | 0.0000 | |
| 455 | K | A | 0.0000 | |
| 456 | V | A | 1.4948 | |
| 457 | Y | A | 1.1766 | |
| 458 | L | A | 0.0000 | |
| 459 | P | A | -0.5818 | |
| 460 | K | A | -1.2135 | |
| 461 | I | A | 0.0000 | |
| 462 | P | A | -0.9693 | |
| 463 | S | A | -0.8418 | |
| 464 | W | A | 0.0000 | |
| 465 | N | A | -1.2761 | |
| 466 | W | A | -1.0505 | |
| 467 | D | A | -1.9769 | |
| 468 | T | A | -1.0927 | |
| 469 | G | A | 0.0000 | |
| 470 | D | A | 0.0000 | |
| 471 | N | A | 0.0000 | |
| 472 | I | A | 0.0000 | |
| 473 | I | A | 0.0000 | |
| 474 | C | A | 0.0000 | |
| 475 | F | A | -0.0197 | |
| 476 | A | A | 0.0000 | |
| 477 | E | A | -0.3436 | |
| 478 | L | A | 0.0000 | |
| 479 | K | A | -0.2871 | |
| 480 | L | A | 0.0000 | |
| 481 | G | A | 0.0000 | |
| 482 | F | A | 0.0000 | |
| 483 | I | A | 0.0000 | |
| 484 | A | A | 0.0000 | |
| 485 | Q | A | 0.0000 | |
| 486 | G | A | 0.0000 | |
| 487 | C | A | 0.0000 | |
| 488 | L | A | 0.0000 | |
| 489 | V | A | 0.0000 | |
| 490 | P | A | 0.0377 | |
| 491 | G | A | 0.0000 | |
| 492 | L | A | 0.0000 | |
| 493 | C | A | 0.0000 | |
| 494 | T | A | 0.0000 | |
| 495 | F | A | 0.0000 | |
| 496 | L | A | 0.0000 | |
| 497 | T | A | 0.0000 | |
| 498 | S | A | 0.0000 | |
| 499 | L | A | 0.0000 | |
| 500 | F | A | 0.0000 | |
| 501 | V | A | 0.0000 | |
| 502 | E | A | -2.7978 | |
| 503 | Q | A | -2.5143 | |
| 504 | N | A | -3.2492 | |
| 505 | K | A | -3.0303 | |
| 506 | K | A | -2.3055 | |
| 507 | V | A | -0.8352 | |
| 508 | M | A | 0.0144 | |
| 509 | P | A | -0.7706 | |
| 510 | K | A | -1.6488 | |
| 511 | Q | A | 0.0000 | |
| 512 | T | A | -1.2868 | |
| 513 | W | A | 0.0000 | |
| 514 | K | A | -1.1106 | |
| 515 | K | A | -1.5452 | |
| 516 | H | A | -1.1942 | |
| 517 | F | A | 0.0000 | |
| 518 | L | A | -1.1526 | |
| 519 | N | A | -1.9189 | |
| 520 | S | A | 0.0000 | |
| 521 | M | A | 0.0000 | |
| 522 | K | A | -2.7234 | |
| 523 | N | A | 0.0000 | |
| 524 | K | A | -1.1642 | |
| 525 | I | A | 0.0000 | |
| 526 | L | A | -0.3089 | |
| 527 | T | A | -0.5639 | |
| 528 | Q | A | -1.2320 | |
| 529 | R | A | -2.4818 | |
| 530 | L | A | 0.0000 | |
| 531 | S | A | -1.9861 | |
| 532 | D | A | -3.3350 | |
| 533 | D | A | -1.9277 | |
| 534 | F | A | 0.0000 | |
| 535 | A | A | -2.6733 | |
| 536 | G | A | -1.9334 | |
| 537 | M | A | -1.3498 | |
| 538 | S | A | 0.0000 | |
| 539 | F | A | 0.0000 | |
| 540 | P | A | -1.2176 | |
| 541 | E | A | -1.4212 | |
| 542 | V | A | 0.0000 | |
| 543 | A | A | 0.0000 | |
| 544 | R | A | -0.9245 | |
| 545 | L | A | -0.1656 | |
| 546 | C | A | 0.0000 | |
| 547 | F | A | 0.0000 | |
| 548 | L | A | 0.6793 | |
| 549 | K | A | 0.2469 | |
| 550 | M | A | 0.0000 | |
| 551 | H | A | -0.3155 | |
| 552 | L | A | 0.0000 | |
| 553 | L | A | 0.0000 | |
| 554 | L | A | 0.0000 | |
| 555 | I | A | 0.0000 | |
| 556 | A | A | 0.0000 | |
| 557 | I | A | 0.0000 | |
| 558 | E | A | -0.8850 | |
| 559 | Y | A | -0.7919 | |
| 560 | K | A | -1.4701 | |
| 561 | S | A | 0.3817 | |
| 562 | L | A | 1.7463 | |
| 563 | F | A | 2.0464 | |
| 564 | T | A | 0.1933 | |
| 565 | D | A | -1.4064 | |
| 566 | G | A | -1.3110 | |
| 567 | F | A | -0.5430 | |
| 568 | C | A | -0.8618 | |
| 569 | G | A | 0.0000 | |
| 570 | L | A | 0.0000 | |
| 571 | I | A | 0.5104 | |
| 572 | L | A | 0.2815 | |
| 573 | N | A | 0.0000 | |
| 574 | P | A | 0.0000 | |
| 575 | P | A | -0.7973 | |
| 576 | P | A | -1.3442 | |
| 577 | Q | A | -1.6673 | |
| 578 | V | A | 0.0000 | |
| 579 | R | A | -2.6991 | |
| 580 | I | A | 0.0000 | |
| 581 | R | A | -4.0545 | |
| 582 | K | A | -4.0957 | |
| 583 | N | A | -3.2846 | |
| 584 | T | A | 0.0000 | |
| 585 | L | A | -1.3348 | |
| 586 | G | A | 0.0000 | |
| 587 | F | A | 0.0000 | |
| 588 | F | A | 0.0000 | |
| 589 | I | A | 0.0000 | |
| 590 | A | A | 0.0000 | |
| 591 | E | A | -2.3536 | |
| 592 | T | A | -1.8224 | |
| 593 | P | A | -1.6875 | |
| 594 | K | A | -2.7057 | |
| 595 | D | A | -2.1708 | |
| 596 | V | A | 0.0000 | |
| 597 | R | A | -1.9439 | |
| 598 | R | A | -1.2685 | |
| 599 | A | A | 0.0000 | |
| 600 | L | A | -0.7514 | |
| 601 | F | A | -0.5657 | |
| 602 | Y | A | 0.0000 | |
| 603 | C | A | -0.3923 | |
| 604 | S | A | -0.2358 | |
| 605 | V | A | 1.1226 | |
| 606 | C | A | 0.3973 | |
| 607 | H | A | 0.0000 | |
| 608 | D | A | -1.7727 | |
| 609 | D | A | -1.7018 | |
| 610 | V | A | 0.0006 | |
| 611 | F | A | 1.6236 | |
| 612 | I | A | 1.0996 | |
| 613 | P | A | 0.1041 | |
| 614 | E | A | -1.1406 | |
| 615 | L | A | 0.4752 | |
| 616 | I | A | 0.0000 | |
| 617 | T | A | -0.7393 | |
| 618 | N | A | -1.3100 | |
| 619 | C | A | -0.6863 | |
| 620 | G | A | -1.4923 | |
| 621 | C | A | -1.1317 | |
| 622 | K | A | -3.0049 | |
| 623 | S | A | -2.5897 | |
| 624 | R | A | -3.5314 | |
| 625 | S | A | -2.7859 | |
| 626 | R | A | -3.2188 | |
| 627 | Q | A | -2.5985 | |
| 628 | H | A | -1.2831 | |
| 629 | I | A | 1.1378 | |
| 630 | T | A | 0.9386 | |
| 631 | V | A | 2.2198 | |
| 632 | P | A | 0.9579 | |
| 633 | S | A | 0.2549 | |
| 634 | V | A | 0.6371 | |
| 635 | K | A | -1.5789 | |
| 636 | R | A | -2.0401 | |
| 637 | M | A | -1.1805 | |
| 638 | K | A | -2.0589 | |
| 639 | K | A | -1.8492 | |
| 640 | C | A | -0.0219 | |
| 641 | L | A | 0.6605 | |
| 642 | K | A | -0.7830 | |
| 643 | G | A | 0.1424 | |
| 644 | I | A | 1.2423 | |
| 645 | S | A | -0.0215 | |
| 646 | S | A | -0.4390 | |
| 647 | R | A | -0.8043 | |
| 648 | I | A | 0.8436 | |
| 649 | S | A | -0.2801 | |
| 650 | G | A | -1.0998 | |
| 651 | Q | A | -2.4053 | |
| 652 | D | A | -2.6975 | |
| 653 | S | A | -1.7598 | |
| 654 | P | A | -1.0795 | |
| 655 | P | A | -1.0874 | |
| 656 | R | A | -1.2349 | |
| 657 | V | A | 0.6667 | |
| 658 | S | A | 0.0965 | |
| 659 | A | A | 0.0475 | |
| 660 | S | A | -0.1528 | |
| 661 | T | A | -0.1304 | |
| 662 | S | A | 0.0775 | |
| 663 | S | A | 0.4249 | |
| 664 | I | A | 1.6838 | |
| 665 | S | A | 0.5154 | |
| 666 | N | A | -0.0513 | |
| 667 | F | A | 1.1829 | |
| 668 | T | A | -0.1402 | |
| 669 | T | A | -0.6097 | |
| 670 | R | A | -1.5422 | |
| 671 | T | A | -1.1014 | |
| 672 | L | A | -0.0408 | |
| 673 | Q | A | -1.5335 | |
| 674 | H | A | -1.9537 | |
| 675 | D | A | -2.4413 | |
| 676 | V | A | -0.9989 | |
| 677 | E | A | -2.8817 | |
| 678 | Q | A | -3.0680 | |
| 679 | D | A | -3.1673 | |
| 680 | S | A | -1.8700 | |
| 681 | D | A | -1.7155 | |
| 682 | Q | A | -1.7122 | |
| 683 | L | A | -0.5111 | |
| 684 | D | A | -0.4132 | |
| 685 | S | A | -0.8234 | |
| 686 | S | A | -0.9770 | |
| 687 | G | A | -0.3762 | |
| 688 | M | A | 0.0000 | |
| 689 | F | A | 0.0000 | |
| 690 | H | A | 0.0000 | |
| 691 | W | A | -0.3481 | |
| 692 | C | A | -0.8386 | |
| 693 | K | A | -1.7415 | |
| 694 | P | A | -0.9111 | |
| 695 | T | A | -1.1505 | |
| 696 | S | A | -1.4657 | |
| 697 | L | A | -1.5167 | |
| 698 | D | A | -2.5721 | |
| 699 | K | A | -2.5212 | |
| 700 | V | A | 0.0000 | |
| 701 | T | A | -1.4994 | |
| 702 | L | A | -2.0325 | |
| 703 | K | A | -2.8938 | |
| 704 | R | A | -3.2244 | |
| 705 | T | A | -2.3006 | |
| 706 | G | A | -2.8118 | |
| 707 | K | A | -3.4215 | |
| 708 | S | A | -2.1914 | |
| 709 | K | A | -2.5589 | |
| 710 | Y | A | -2.0260 | |
| 711 | K | A | -2.8744 | |
| 712 | F | A | 0.0000 | |
| 713 | R | A | -2.7944 | |
| 714 | N | A | -1.6702 | |
| 715 | H | A | 0.0000 | |
| 716 | I | A | 0.0000 | |
| 717 | V | A | 0.0000 | |
| 718 | A | A | 0.0000 | |
| 719 | C | A | 0.0000 | |
| 720 | V | A | 0.0000 | |
| 721 | F | A | -0.2110 | |
| 722 | G | A | -0.9863 | |
| 723 | D | A | -2.0765 | |
| 724 | A | A | -1.9060 | |
| 725 | H | A | -1.6752 | |
| 726 | S | A | -1.3601 | |
| 727 | A | A | -1.0835 | |
| 728 | P | A | -0.5755 | |
| 729 | M | A | 0.0000 | |
| 730 | G | A | -0.3206 | |
| 731 | L | A | 0.0000 | |
| 732 | R | A | -0.3973 | |
| 733 | N | A | -0.3326 | |
| 734 | F | A | 0.0000 | |
| 735 | V | A | 0.0000 | |
| 736 | M | A | -0.0123 | |
| 737 | P | A | 0.0000 | |
| 738 | L | A | 0.0000 | |
| 739 | R | A | 0.0000 | |
| 740 | A | A | 0.0000 | |
| 741 | S | A | 0.0000 | |
| 742 | N | A | 0.0000 | |
| 743 | Y | A | -0.6213 | |
| 744 | T | A | -1.1421 | |
| 745 | R | A | -1.8373 | |
| 746 | K | A | -2.1092 | |
| 747 | E | A | -1.5412 | |
| 748 | L | A | 0.0000 | |
| 749 | K | A | 0.0000 | |
| 750 | D | A | -0.8641 | |
| 751 | I | A | 0.0000 | |
| 752 | V | A | 0.0000 | |
| 753 | F | A | 0.0000 | |
| 754 | I | A | 0.0000 | |
| 755 | G | A | 0.0000 | |
| 756 | S | A | -0.8923 | |
| 757 | L | A | -1.0479 | |
| 758 | D | A | -2.5262 | |
| 759 | Y | A | 0.0000 | |
| 760 | L | A | 0.0000 | |
| 761 | Q | A | -2.0099 | |
| 762 | R | A | -1.8205 | |
| 763 | E | A | 0.0000 | |
| 764 | W | A | 0.0000 | |
| 765 | R | A | -1.5077 | |
| 766 | F | A | -0.3670 | |
| 767 | L | A | 0.0000 | |
| 768 | W | A | 0.0484 | |
| 769 | N | A | 0.0000 | |
| 770 | F | A | 0.0000 | |
| 771 | P | A | 0.0000 | |
| 772 | Q | A | -0.5346 | |
| 773 | I | A | 0.0000 | |
| 774 | Y | A | -0.1486 | |
| 775 | I | A | 0.0000 | |
| 776 | L | A | 0.0000 | |
| 777 | P | A | -0.7041 | |
| 778 | G | A | -0.1649 | |
| 779 | C | A | 0.5659 | |
| 780 | A | A | 0.0000 | |
| 781 | L | A | 0.9847 | |
| 782 | Y | A | 1.2879 | |
| 783 | S | A | 0.3215 | |
| 784 | G | A | -0.4451 | |
| 785 | D | A | 0.0000 | |
| 786 | L | A | 0.0000 | |
| 787 | H | A | -1.0676 | |
| 788 | A | A | -1.5703 | |
| 789 | A | A | 0.0000 | |
| 790 | N | A | -1.5458 | |
| 791 | I | A | 0.0000 | |
| 792 | E | A | -1.7837 | |
| 793 | Q | A | -1.8698 | |
| 794 | C | A | 0.0000 | |
| 795 | S | A | -0.5545 | |
| 796 | M | A | 0.0000 | |
| 797 | C | A | 0.0000 | |
| 798 | A | A | 0.0000 | |
| 799 | V | A | 0.0000 | |
| 800 | L | A | 0.0000 | |
| 801 | S | A | 0.0000 | |
| 802 | P | A | 0.0000 | |
| 803 | P | A | -0.4688 | |
| 804 | P | A | -0.6352 | |
| 805 | Q | A | -1.6142 | |
| 806 | P | A | -1.2381 | |
| 807 | S | A | -1.1284 | |
| 808 | S | A | -0.9822 | |
| 809 | N | A | -1.3673 | |
| 810 | Q | A | -0.9262 | |
| 811 | T | A | -0.1434 | |
| 812 | L | A | 0.7716 | |
| 813 | V | A | -0.1521 | |
| 814 | D | A | 0.0000 | |
| 815 | T | A | 0.1846 | |
| 816 | E | A | -0.6046 | |
| 817 | A | A | 0.0000 | |
| 818 | I | A | 0.0000 | |
| 819 | M | A | 0.3767 | |
| 820 | A | A | 0.0000 | |
| 821 | T | A | 0.0000 | |
| 822 | L | A | 0.6145 | |
| 823 | T | A | 0.5372 | |
| 824 | I | A | 0.0000 | |
| 825 | G | A | -0.1857 | |
| 826 | S | A | -0.4010 | |
| 827 | L | A | -1.0052 | |
| 828 | Q | A | -2.0115 | |
| 829 | I | A | 0.0000 | |
| 830 | D | A | -2.5367 | |
| 831 | S | A | -1.9812 | |
| 832 | S | A | -1.6376 | |
| 833 | S | A | -1.6646 | |
| 834 | D | A | -2.1869 | |
| 835 | P | A | -1.4021 | |
| 836 | S | A | -0.8108 | |
| 837 | P | A | -0.3388 | |
| 838 | S | A | 0.1907 | |
| 839 | V | A | 1.0876 | |
| 840 | S | A | -0.8271 | |
| 841 | E | A | -2.4762 | |
| 842 | E | A | -2.8446 | |
| 843 | T | A | -1.6042 | |
| 844 | P | A | -0.6169 | |
| 845 | G | A | 0.0125 | |
| 846 | Y | A | 0.6709 | |
| 847 | T | A | -0.3903 | |
| 848 | N | A | -1.6166 | |
| 849 | G | A | -2.0254 | |
| 850 | H | A | -2.8799 | |
| 851 | N | A | -3.4171 | |
| 852 | E | A | -3.8423 | |
| 853 | K | A | -3.4355 | |
| 854 | S | A | -2.6537 | |
| 855 | N | A | -2.7825 | |
| 856 | C | A | -1.9216 | |
| 857 | R | A | -2.1926 | |
| 858 | K | A | -2.1430 | |
| 859 | V | A | 0.0000 | |
| 860 | P | A | -0.4267 | |
| 861 | I | A | 0.0000 | |
| 862 | L | A | 0.0000 | |
| 863 | T | A | 0.0000 | |
| 864 | E | A | 0.0000 | |
| 865 | L | A | 0.0000 | |
| 866 | K | A | -0.4676 | |
| 867 | N | A | -0.3350 | |
| 868 | P | A | -0.5756 | |
| 869 | S | A | -0.6974 | |
| 870 | N | A | 0.0000 | |
| 871 | I | A | 0.0000 | |
| 872 | H | A | -1.0132 | |
| 873 | F | A | 0.2884 | |
| 874 | I | A | 0.0000 | |
| 875 | E | A | -0.9448 | |
| 876 | Q | A | -1.2526 | |
| 877 | L | A | 0.1193 | |
| 878 | G | A | -0.6912 | |
| 879 | G | A | -1.1096 | |
| 880 | L | A | -1.0821 | |
| 881 | E | A | -2.0631 | |
| 882 | G | A | -1.3512 | |
| 883 | S | A | -0.7321 | |
| 884 | L | A | -0.4051 | |
| 885 | Q | A | -1.4943 | |
| 886 | E | A | -1.7515 | |
| 887 | T | A | -1.2146 | |
| 888 | N | A | -1.1093 | |
| 889 | L | A | 0.0000 | |
| 890 | H | A | -0.3640 | |
| 891 | L | A | -0.0457 | |
| 892 | S | A | 0.0000 | |
| 893 | T | A | -0.3766 | |
| 894 | A | A | 0.0000 | |
| 895 | F | A | 0.0000 | |
| 896 | S | A | 0.0000 | |
| 897 | T | A | 0.0000 | |
| 898 | G | A | -0.1328 | |
| 899 | T | A | -0.0592 | |
| 900 | V | A | 0.0000 | |
| 901 | F | A | 0.0000 | |
| 902 | S | A | 0.0000 | |
| 903 | G | A | -0.4276 | |
| 904 | S | A | -0.3759 | |
| 905 | F | A | 0.0000 | |
| 906 | L | A | 0.0000 | |
| 907 | D | A | -0.5697 | |
| 908 | S | A | 0.0000 | |
| 909 | L | A | 0.0000 | |
| 910 | L | A | 0.0000 | |
| 911 | A | A | 0.0000 | |
| 912 | T | A | -0.0438 | |
| 913 | A | A | 0.0000 | |
| 914 | F | A | 0.0000 | |
| 915 | Y | A | 0.6071 | |
| 916 | N | A | 0.2813 | |
| 917 | Y | A | 0.1035 | |
| 918 | H | A | -0.1899 | |
| 919 | V | A | 0.0000 | |
| 920 | L | A | 0.0000 | |
| 921 | E | A | -0.2206 | |
| 922 | L | A | 0.0000 | |
| 923 | L | A | 0.0000 | |
| 924 | Q | A | 0.0000 | |
| 925 | M | A | 0.1067 | |
| 926 | L | A | 0.0000 | |
| 927 | V | A | 0.0000 | |
| 928 | T | A | 0.0000 | |
| 929 | G | A | -0.0321 | |
| 930 | G | A | -0.0349 | |
| 931 | V | A | 0.0000 | |
| 932 | S | A | 0.0000 | |
| 933 | S | A | 0.0000 | |
| 934 | Q | A | -0.9188 | |
| 935 | L | A | -1.0522 | |
| 936 | E | A | -2.0097 | |
| 937 | Q | A | -2.1841 | |
| 938 | H | A | -2.1761 | |
| 939 | L | A | -2.2482 | |
| 940 | D | A | -3.1878 | |
| 941 | K | A | -2.5684 | |
| 942 | D | A | -1.8082 | |
| 943 | K | A | -1.8415 | |
| 944 | V | A | 0.6137 | |
| 945 | Y | A | 1.1576 | |
| 946 | G | A | 0.4456 | |
| 947 | V | A | 1.2382 | |
| 948 | A | A | -0.0079 | |
| 949 | D | A | -1.3345 | |
| 950 | S | A | -0.5900 | |
| 951 | C | A | 0.7300 | |
| 952 | T | A | 0.2631 | |
| 953 | S | A | 0.1856 | |
| 954 | L | A | 1.0060 | |
| 955 | L | A | 1.1930 | |
| 956 | S | A | 0.0337 | |
| 957 | G | A | -0.4801 | |
| 958 | R | A | -1.1085 | |
| 959 | N | A | -1.2626 | |
| 960 | R | A | -0.6460 | |
| 961 | C | A | -0.2729 | |
| 962 | K | A | -0.1731 | |
| 963 | L | A | 0.1762 | |
| 964 | G | A | 0.0978 | |
| 965 | L | A | 0.3437 | |
| 966 | L | A | 0.0000 | |
| 967 | S | A | -0.6925 | |
| 968 | L | A | 0.0000 | |
| 969 | H | A | -2.1193 | |
| 970 | E | A | -2.4976 | |
| 971 | T | A | 0.0000 | |
| 972 | I | A | -0.7150 | |
| 973 | L | A | 0.0000 | |
| 974 | S | A | -1.8081 | |
| 975 | D | A | -2.0418 | |
| 976 | V | A | 0.0000 | |
| 977 | N | A | -2.3531 | |
| 978 | P | A | -2.0434 | |
| 979 | R | A | -2.4242 | |
| 980 | N | A | -2.6315 | |
| 981 | T | A | -2.1757 | |
| 982 | F | A | 0.0000 | |
| 983 | G | A | 0.0000 | |
| 984 | Q | A | -1.4648 | |
| 985 | L | A | 0.0000 | |
| 986 | F | A | 0.0000 | |
| 987 | C | A | -0.5314 | |
| 988 | G | A | -0.8588 | |
| 989 | S | A | 0.0000 | |
| 990 | L | A | 0.0000 | |
| 991 | D | A | -1.0097 | |
| 992 | L | A | 0.7594 | |
| 993 | F | A | 0.5779 | |
| 994 | G | A | -0.0472 | |
| 995 | I | A | 0.0000 | |
| 996 | L | A | 0.0000 | |
| 997 | C | A | 0.0000 | |
| 998 | V | A | 0.0000 | |
| 999 | G | A | 0.0000 | |
| 1000 | L | A | 0.0000 | |
| 1001 | Y | A | 0.0000 | |
| 1002 | R | A | 0.0000 | |
| 1003 | I | A | -1.0383 | |
| 1004 | I | A | 0.0000 | |
| 1005 | D | A | -2.9267 | |
| 1006 | E | A | -2.7977 | |
| 1007 | E | A | -3.6629 | |
| 1008 | E | A | -2.9355 | |
| 1009 | L | A | -2.0239 | |
| 1010 | N | A | 0.0000 | |
| 1011 | P | A | -1.9217 | |
| 1012 | E | A | -2.0647 | |
| 1013 | N | A | -2.5594 | |
| 1014 | K | A | -1.3505 | |
| 1015 | R | A | -0.7864 | |
| 1016 | F | A | 0.0000 | |
| 1017 | V | A | 0.0000 | |
| 1018 | I | A | 0.0000 | |
| 1019 | T | A | 0.0000 | |
| 1020 | R | A | -0.6901 | |
| 1021 | P | A | 0.0000 | |
| 1022 | A | A | -0.8856 | |
| 1023 | N | A | -1.2302 | |
| 1024 | E | A | -2.4559 | |
| 1025 | F | A | -1.6895 | |
| 1026 | K | A | -2.3682 | |
| 1027 | L | A | -1.2129 | |
| 1028 | L | A | -0.3062 | |
| 1029 | P | A | -0.4337 | |
| 1030 | S | A | -0.1858 | |
| 1031 | D | A | 0.0000 | |
| 1032 | L | A | 0.0000 | |
| 1033 | V | A | 0.0000 | |
| 1034 | F | A | 0.0000 | |
| 1035 | C | A | 0.0000 | |
| 1036 | A | A | 0.0000 | |
| 1037 | I | A | 0.0000 | |
| 1038 | P | A | -0.1207 | |
| 1039 | F | A | -0.0354 | |
| 1040 | S | A | -0.0117 | |
| 1041 | T | A | 0.4132 | |
| 1042 | A | A | 0.0300 | |
| 1043 | C | A | 0.0000 | |
| 1044 | Y | A | -1.3580 | |
| 1045 | K | A | -3.2849 | |
| 1046 | R | A | -3.7056 | |
| 1047 | N | A | -3.6057 | |
| 1048 | E | A | -3.4794 | |
| 1049 | E | A | -2.6910 | |
| 1050 | F | A | -0.3374 | |
| 1051 | S | A | -1.4883 | |
| 1052 | L | A | -0.8591 | |
| 1053 | Q | A | -1.7032 | |
| 1054 | K | A | -2.0692 | |
| 1055 | S | A | -0.7914 | |
| 1056 | Y | A | -0.4988 | |
| 1057 | E | A | -1.5522 | |
| 1058 | I | A | -0.9297 | |
| 1059 | V | A | -0.0936 | |
| 1060 | N | A | -1.3543 | |
| 1061 | K | A | -2.4182 | |
| 1062 | A | A | -1.6323 | |
| 1063 | S | A | -1.3767 | |
| 1064 | Q | A | -1.8288 | |
| 1065 | T | A | -1.2655 | |
| 1066 | T | A | -1.5422 | |
| 1067 | E | A | -2.3910 | |
| 1068 | T | A | -1.7534 | |
| 1069 | H | A | -2.1661 | |
| 1070 | S | A | -1.9859 | |
| 1071 | D | A | -2.4824 | |
| 1072 | T | A | -1.5940 | |
| 1073 | N | A | -1.4003 | |
| 1074 | C | A | -0.1102 | |
| 1075 | P | A | -0.3300 | |
| 1076 | P | A | 0.0302 | |
| 1077 | T | A | 0.2965 | |
| 1078 | I | A | 0.9904 | |
| 1079 | D | A | -0.5962 | |
| 1080 | S | A | 0.1997 | |
| 1081 | V | A | 0.8983 | |
| 1082 | T | A | -0.0393 | |
| 1083 | E | A | -1.1551 | |
| 1084 | T | A | -0.0547 | |
| 1085 | L | A | 1.6762 | |
| 1086 | Y | A | 1.9358 | |
| 1087 | S | A | 1.2556 | |
| 1088 | P | A | 1.2203 | |
| 1089 | V | A | 2.3210 | |
| 1090 | Y | A | 2.2764 | |
| 1091 | S | A | 1.2754 | |
| 1092 | Y | A | 0.9965 | |
| 1093 | Q | A | -1.1510 | |
| 1094 | P | A | -1.4267 | |
| 1095 | R | A | -2.5724 | |
| 1096 | T | A | -1.7223 | |
| 1097 | N | A | -1.5010 | |
| 1098 | S | A | 0.0308 | |
| 1099 | L | A | 1.4694 | |
| 1100 | S | A | 1.0629 | |
| 1101 | F | A | 1.4847 | |
| 1102 | P | A | -0.2403 | |
| 1103 | K | A | -1.4954 | |
| 1104 | Q | A | -0.7782 | |
| 1105 | I | A | 1.2052 | |
| 1106 | A | A | 0.8946 | |
| 1107 | W | A | 0.6692 | |
| 1108 | N | A | -1.2829 | |
| 1109 | Q | A | -2.0044 | |
| 1110 | S | A | -1.9789 | |
| 1111 | R | A | -2.4930 | |
| 1112 | T | A | -1.5084 | |
| 1113 | N | A | -1.0115 | |
| 1114 | S | A | 0.5070 | |
| 1115 | I | A | 2.2718 | |
| 1116 | I | A | 2.4665 | |
| 1117 | S | A | 1.0842 | |
| 1118 | S | A | 0.3140 | |
| 1119 | Q | A | -0.0235 | |
| 1120 | I | A | 1.5525 | |
| 1121 | P | A | 0.8265 | |
| 1122 | L | A | 0.9724 | |
| 1123 | G | A | -0.6830 | |
| 1124 | D | A | -2.4391 | |
| 1125 | N | A | -2.4388 | |
| 1126 | A | A | -2.1594 | |
| 1127 | K | A | -3.4850 | |
| 1128 | E | A | -3.9556 | |
| 1129 | N | A | -3.9214 | |
| 1130 | E | A | -4.3790 | |
| 1131 | R | A | -4.0715 | |
| 1132 | K | A | -3.3105 | |
| 1133 | T | A | -1.8160 | |
| 1134 | S | A | -1.8341 | |
| 1135 | D | A | -2.6296 | |
| 1136 | E | A | -1.5941 | |
| 1137 | V | A | 0.5124 | |
| 1138 | Y | A | 0.2960 | |
| 1139 | D | A | -2.0335 | |
| 1140 | E | A | -2.9383 | |
| 1141 | D | A | -2.6445 | |
| 1142 | P | A | -0.8131 | |
| 1143 | F | A | 1.5497 | |
| 1144 | A | A | 1.1450 | |
| 1145 | Y | A | 1.2276 | |
| 1146 | S | A | -0.2980 | |
| 1147 | E | A | -1.3870 | |
| 1148 | P | A | -0.2853 | |
| 1149 | L | A | 1.0370 |
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 | -0.2534 | 6.2434 | View | CSV | PDB |
| 4.5 | -0.311 | 6.1828 | View | CSV | PDB |
| 5.0 | -0.3807 | 6.0836 | View | CSV | PDB |
| 5.5 | -0.4471 | 5.9601 | View | CSV | PDB |
| 6.0 | -0.4955 | 5.9581 | View | CSV | PDB |
| 6.5 | -0.5164 | 5.9581 | View | CSV | PDB |
| 7.0 | -0.5112 | 5.9581 | View | CSV | PDB |
| 7.5 | -0.4889 | 5.9581 | View | CSV | PDB |
| 8.0 | -0.4574 | 5.9581 | View | CSV | PDB |
| 8.5 | -0.4193 | 5.9581 | View | CSV | PDB |
| 9.0 | -0.3737 | 5.9581 | 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