| Chain sequence(s) |
A: HHHHHHGGSGVEMSDQEAKPSTEDLGDKKEGEYIKLKVIGQDSSEIHFKVKMTTHLKKLKESYCQRQGVPMNSLRFLFEGQRIADNHTPKELGMEEEDVIEVYQEQTGGHSTVDNSRLWQAGKEHIFHYTGRLLSGIPGLRPHFSGIGIETEVHLQVKSLEDIRLNLRQVNYTQVNGPLSPGLPHVTSSYEGSNWRYVLLPQFTQAPIDIKKLLKVPITFAIHDGEIKTITVSGTEQEWSLNFKKALVALFQTKMETSTLDLEMNTIVKDSDSTKNYWKVSEETIEGVCDVIYQVNELPEYIVKERAHYFPHLEACTSKKFYEITKTKEIDSCKKSAVYTFMKPAVKAESCNSFKCLSNTFGSASSMTRYYACGPRSNWILQTIVNEGEIVQRPVGVKSETITTGTRQVLKLRTIQPISSEVPKPPQPRTTESIMYEYINAGQVSRQQIGIIPKIPQSELKSGEIYKYLPRHFNPAPSSTESKQHLSATKIKAELKSYIISIIDDLSSVEELAQKEIPLRLTTFIRGMTLLKVEDIKSLYTDLKSTVYSPAHSNQEKISMFHNIFFDAVMVSGTTPAVLFLKDMIKSKEIPTYQATYLLMLLPHHIITPTKEVFTSLLEIIQSEIVISNTILYNTAILSMSNLVEKTCLDKSRQVSYPTAVFGQFCDAQSEIVTEKWIPYLTKAVQTAPTADRRNAIIMALGALKHKDIIPALLPLVEGHGPIEQGSGVAFPNISRTLSIYAIGNVRVHHPELVLPIILSVYSNPAENTQLRIAAFNMLVNMNPPMNIIQKIAAMTWSEKNTEVLKKTYTGFYTLSRSVDISNLEDTSPESTLAKKTQLVVPLMRKTSGVLQGGSGVEMSPILGYWKIKGLVQPTRLLLEYLEEKYEEHLYERDEGDKWRNKKFELGLEFPNLPYYIDGDVKLTQSMAIIRYIADKHNMLGGCPKERAEISMLEGAVLDIRYGVSRIAYSKDFETLKVDFLSKLPEMLKMFEDRLCHKTYLNGDHVTHPDFMLYDALDVVLYMDPMCLDAFPKLVCFKKRIEAIPQIDKYLKSSKYIAWPLQGWQATFGGGDHPPKGGSGVEHHHHHH
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] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:18:52)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/b78527388e32341/tmp/folded.pdb (00:18:52)
[INFO] Main: Simulation completed successfully. (00:26:11)
|
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 | H | A | -1.8848 | |
| 2 | H | A | -2.3798 | |
| 3 | H | A | -2.6341 | |
| 4 | H | A | -2.6433 | |
| 5 | H | A | -2.5443 | |
| 6 | H | A | -2.1963 | |
| 7 | G | A | -1.6718 | |
| 8 | G | A | -1.0950 | |
| 9 | S | A | -0.6465 | |
| 10 | G | A | -0.2658 | |
| 11 | V | A | 0.8253 | |
| 12 | E | A | -0.9361 | |
| 13 | M | A | -0.1017 | |
| 14 | S | A | -1.5080 | |
| 15 | D | A | -2.9900 | |
| 16 | Q | A | -3.0966 | |
| 17 | E | A | -3.4659 | |
| 18 | A | A | -2.3992 | |
| 19 | K | A | -2.5812 | |
| 20 | P | A | -1.8031 | |
| 21 | S | A | -1.6617 | |
| 22 | T | A | -1.6671 | |
| 23 | E | A | -2.4112 | |
| 24 | D | A | -2.3894 | |
| 25 | L | A | -0.9277 | |
| 26 | G | A | -2.1613 | |
| 27 | D | A | -3.4847 | |
| 28 | K | A | -4.0675 | |
| 29 | K | A | -4.3365 | |
| 30 | E | A | -3.9302 | |
| 31 | G | A | -2.9360 | |
| 32 | E | A | -2.5150 | |
| 33 | Y | A | -1.7196 | |
| 34 | I | A | 0.0000 | |
| 35 | K | A | -2.9501 | |
| 36 | L | A | 0.0000 | |
| 37 | K | A | -1.8253 | |
| 38 | V | A | 0.0000 | |
| 39 | I | A | -1.0559 | |
| 40 | G | A | -1.8128 | |
| 41 | Q | A | -2.4465 | |
| 42 | D | A | -2.5770 | |
| 43 | S | A | -1.8422 | |
| 44 | S | A | -1.5224 | |
| 45 | E | A | -1.8735 | |
| 46 | I | A | -0.9716 | |
| 47 | H | A | -1.7279 | |
| 48 | F | A | -1.5844 | |
| 49 | K | A | -2.3891 | |
| 50 | V | A | 0.0000 | |
| 51 | K | A | -1.4587 | |
| 52 | M | A | -1.8518 | |
| 53 | T | A | -1.1963 | |
| 54 | T | A | -1.4200 | |
| 55 | H | A | -2.5406 | |
| 56 | L | A | 0.0000 | |
| 57 | K | A | -2.9243 | |
| 58 | K | A | -3.1501 | |
| 59 | L | A | 0.0000 | |
| 60 | K | A | 0.0000 | |
| 61 | E | A | -3.4014 | |
| 62 | S | A | -2.4805 | |
| 63 | Y | A | 0.0000 | |
| 64 | C | A | 0.0000 | |
| 65 | Q | A | -2.7730 | |
| 66 | R | A | -2.9320 | |
| 67 | Q | A | -2.0033 | |
| 68 | G | A | -1.4283 | |
| 69 | V | A | -0.8454 | |
| 70 | P | A | -0.8450 | |
| 71 | M | A | -1.3984 | |
| 72 | N | A | -1.6188 | |
| 73 | S | A | -1.1449 | |
| 74 | L | A | -1.0359 | |
| 75 | R | A | -1.8619 | |
| 76 | F | A | 0.0000 | |
| 77 | L | A | 0.0000 | |
| 78 | F | A | 0.0000 | |
| 79 | E | A | -2.7540 | |
| 80 | G | A | -2.5168 | |
| 81 | Q | A | -3.0251 | |
| 82 | R | A | -3.1317 | |
| 83 | I | A | 0.0000 | |
| 84 | A | A | -1.7047 | |
| 85 | D | A | -2.5219 | |
| 86 | N | A | -2.5153 | |
| 87 | H | A | -2.2762 | |
| 88 | T | A | -2.1623 | |
| 89 | P | A | 0.0000 | |
| 90 | K | A | -3.2472 | |
| 91 | E | A | -2.9453 | |
| 92 | L | A | -2.0524 | |
| 93 | G | A | -2.0050 | |
| 94 | M | A | 0.0000 | |
| 95 | E | A | -3.5709 | |
| 96 | E | A | -3.9391 | |
| 97 | E | A | -3.7433 | |
| 98 | D | A | -2.6360 | |
| 99 | V | A | -1.3314 | |
| 100 | I | A | 0.0000 | |
| 101 | E | A | -1.9102 | |
| 102 | V | A | 0.0000 | |
| 103 | Y | A | -1.3124 | |
| 104 | Q | A | -1.8358 | |
| 105 | E | A | -1.9231 | |
| 106 | Q | A | -2.3383 | |
| 107 | T | A | -1.8648 | |
| 108 | G | A | -1.9096 | |
| 109 | G | A | -1.5728 | |
| 110 | H | A | -2.1278 | |
| 111 | S | A | -1.4721 | |
| 112 | T | A | -1.7007 | |
| 113 | V | A | 0.0000 | |
| 114 | D | A | -2.7396 | |
| 115 | N | A | 0.0000 | |
| 116 | S | A | -1.8288 | |
| 117 | R | A | -2.4735 | |
| 118 | L | A | -1.3286 | |
| 119 | W | A | 0.0000 | |
| 120 | Q | A | -1.6725 | |
| 121 | A | A | -1.1908 | |
| 122 | G | A | -1.2009 | |
| 123 | K | A | -1.2801 | |
| 124 | E | A | 0.0000 | |
| 125 | H | A | 0.0000 | |
| 126 | I | A | -0.6300 | |
| 127 | F | A | 0.0000 | |
| 128 | H | A | -1.2079 | |
| 129 | Y | A | 0.0000 | |
| 130 | T | A | -0.3207 | |
| 131 | G | A | 0.0000 | |
| 132 | R | A | 0.0688 | |
| 133 | L | A | 0.5123 | |
| 134 | L | A | 0.0000 | |
| 135 | S | A | 0.2446 | |
| 136 | G | A | -0.1979 | |
| 137 | I | A | 0.2167 | |
| 138 | P | A | -0.3399 | |
| 139 | G | A | -0.4403 | |
| 140 | L | A | -0.7474 | |
| 141 | R | A | -1.8656 | |
| 142 | P | A | -1.1547 | |
| 143 | H | A | -1.3862 | |
| 144 | F | A | 0.0000 | |
| 145 | S | A | -0.7921 | |
| 146 | G | A | -0.3362 | |
| 147 | I | A | 0.1110 | |
| 148 | G | A | 0.0000 | |
| 149 | I | A | 0.0714 | |
| 150 | E | A | -0.8446 | |
| 151 | T | A | 0.0000 | |
| 152 | E | A | -1.9244 | |
| 153 | V | A | 0.0000 | |
| 154 | H | A | -0.4697 | |
| 155 | L | A | 0.0000 | |
| 156 | Q | A | 0.0000 | |
| 157 | V | A | 0.0000 | |
| 158 | K | A | -1.6928 | |
| 159 | S | A | -1.3260 | |
| 160 | L | A | -1.2617 | |
| 161 | E | A | -2.2253 | |
| 162 | D | A | -1.6224 | |
| 163 | I | A | 0.0000 | |
| 164 | R | A | -1.2394 | |
| 165 | L | A | 0.0000 | |
| 166 | N | A | 0.0000 | |
| 167 | L | A | 0.0000 | |
| 168 | R | A | -2.8645 | |
| 169 | Q | A | -2.7269 | |
| 170 | V | A | 0.0000 | |
| 171 | N | A | -1.2644 | |
| 172 | Y | A | -0.3353 | |
| 173 | T | A | 0.0000 | |
| 174 | Q | A | -1.2114 | |
| 175 | V | A | 0.0000 | |
| 176 | N | A | -1.7076 | |
| 177 | G | A | -1.3518 | |
| 178 | P | A | -1.0730 | |
| 179 | L | A | 0.0000 | |
| 180 | S | A | 0.0109 | |
| 181 | P | A | 0.0415 | |
| 182 | G | A | 0.2537 | |
| 183 | L | A | 0.0128 | |
| 184 | P | A | -0.6155 | |
| 185 | H | A | -0.7814 | |
| 186 | V | A | -0.0805 | |
| 187 | T | A | -0.4052 | |
| 188 | S | A | -0.4349 | |
| 189 | S | A | -0.3963 | |
| 190 | Y | A | 0.3371 | |
| 191 | E | A | -0.6884 | |
| 192 | G | A | 0.0000 | |
| 193 | S | A | -0.4738 | |
| 194 | N | A | -0.5451 | |
| 195 | W | A | 0.0000 | |
| 196 | R | A | -0.3303 | |
| 197 | Y | A | 0.1701 | |
| 198 | V | A | 0.0000 | |
| 199 | L | A | 1.1198 | |
| 200 | L | A | 0.4109 | |
| 201 | P | A | -0.3101 | |
| 202 | Q | A | -0.8936 | |
| 203 | F | A | -0.3883 | |
| 204 | T | A | -0.8292 | |
| 205 | Q | A | -1.0834 | |
| 206 | A | A | 0.0000 | |
| 207 | P | A | -0.1091 | |
| 208 | I | A | 0.5533 | |
| 209 | D | A | -1.1959 | |
| 210 | I | A | -0.6560 | |
| 211 | K | A | -1.7106 | |
| 212 | K | A | -2.1470 | |
| 213 | L | A | -1.2168 | |
| 214 | L | A | 0.0000 | |
| 215 | K | A | -2.5549 | |
| 216 | V | A | -1.2821 | |
| 217 | P | A | 0.0000 | |
| 218 | I | A | 0.0000 | |
| 219 | T | A | 0.0000 | |
| 220 | F | A | 0.0000 | |
| 221 | A | A | 0.0000 | |
| 222 | I | A | 0.0000 | |
| 223 | H | A | -1.9430 | |
| 224 | D | A | -2.8294 | |
| 225 | G | A | 0.0000 | |
| 226 | E | A | -1.3725 | |
| 227 | I | A | 0.0000 | |
| 228 | K | A | -2.3320 | |
| 229 | T | A | -1.7326 | |
| 230 | I | A | 0.0000 | |
| 231 | T | A | -1.2655 | |
| 232 | V | A | 0.0000 | |
| 233 | S | A | 0.0000 | |
| 234 | G | A | -1.6236 | |
| 235 | T | A | -1.0755 | |
| 236 | E | A | -1.0748 | |
| 237 | Q | A | -0.8508 | |
| 238 | E | A | -0.3503 | |
| 239 | W | A | 0.2651 | |
| 240 | S | A | 0.0000 | |
| 241 | L | A | 0.0000 | |
| 242 | N | A | 0.0000 | |
| 243 | F | A | 0.3519 | |
| 244 | K | A | 0.0000 | |
| 245 | K | A | 0.0000 | |
| 246 | A | A | 0.0000 | |
| 247 | L | A | 0.0000 | |
| 248 | V | A | 0.0000 | |
| 249 | A | A | 0.0388 | |
| 250 | L | A | 0.0000 | |
| 251 | F | A | 0.0000 | |
| 252 | Q | A | 0.0000 | |
| 253 | T | A | 0.0000 | |
| 254 | K | A | -1.5230 | |
| 255 | M | A | 0.0000 | |
| 256 | E | A | -2.5722 | |
| 257 | T | A | -1.3032 | |
| 258 | S | A | -0.6958 | |
| 259 | T | A | -0.5603 | |
| 260 | L | A | -0.3152 | |
| 261 | D | A | -1.7105 | |
| 262 | L | A | -1.1597 | |
| 263 | E | A | -2.0397 | |
| 264 | M | A | -0.6668 | |
| 265 | N | A | -0.6981 | |
| 266 | T | A | 0.2054 | |
| 267 | I | A | 1.7303 | |
| 268 | V | A | 0.4440 | |
| 269 | K | A | -1.6144 | |
| 270 | D | A | -2.5900 | |
| 271 | S | A | -2.3530 | |
| 272 | D | A | -3.0471 | |
| 273 | S | A | -2.0867 | |
| 274 | T | A | -1.6937 | |
| 275 | K | A | -1.6596 | |
| 276 | N | A | -1.6590 | |
| 277 | Y | A | -0.7552 | |
| 278 | W | A | 0.0000 | |
| 279 | K | A | -0.8365 | |
| 280 | V | A | 0.0000 | |
| 281 | S | A | -0.7421 | |
| 282 | E | A | 0.0000 | |
| 283 | E | A | -0.8040 | |
| 284 | T | A | 0.0000 | |
| 285 | I | A | 0.2829 | |
| 286 | E | A | -0.1617 | |
| 287 | G | A | 0.0000 | |
| 288 | V | A | -1.0064 | |
| 289 | C | A | 0.0000 | |
| 290 | D | A | -1.2385 | |
| 291 | V | A | 0.0000 | |
| 292 | I | A | -0.3140 | |
| 293 | Y | A | 0.0000 | |
| 294 | Q | A | -1.1642 | |
| 295 | V | A | 0.0000 | |
| 296 | N | A | -1.7258 | |
| 297 | E | A | -2.6019 | |
| 298 | L | A | 0.0000 | |
| 299 | P | A | -1.5536 | |
| 300 | E | A | -2.5739 | |
| 301 | Y | A | -0.5617 | |
| 302 | I | A | -1.0225 | |
| 303 | V | A | 0.0000 | |
| 304 | K | A | -2.8261 | |
| 305 | E | A | -2.9677 | |
| 306 | R | A | -2.4341 | |
| 307 | A | A | -1.9482 | |
| 308 | H | A | -1.7760 | |
| 309 | Y | A | -1.0663 | |
| 310 | F | A | 0.0000 | |
| 311 | P | A | -1.0478 | |
| 312 | H | A | -1.1015 | |
| 313 | L | A | -1.1619 | |
| 314 | E | A | -1.9228 | |
| 315 | A | A | -0.9812 | |
| 316 | C | A | 0.0000 | |
| 317 | T | A | -1.1901 | |
| 318 | S | A | -1.3100 | |
| 319 | K | A | -2.7837 | |
| 320 | K | A | -2.5685 | |
| 321 | F | A | 0.0000 | |
| 322 | Y | A | 0.0000 | |
| 323 | E | A | -1.0100 | |
| 324 | I | A | 0.0000 | |
| 325 | T | A | -0.4069 | |
| 326 | K | A | 0.0000 | |
| 327 | T | A | -0.4319 | |
| 328 | K | A | -0.9765 | |
| 329 | E | A | -1.7392 | |
| 330 | I | A | 0.0000 | |
| 331 | D | A | -2.8845 | |
| 332 | S | A | -2.1823 | |
| 333 | C | A | 0.0000 | |
| 334 | K | A | -2.9072 | |
| 335 | K | A | -2.5405 | |
| 336 | S | A | -1.2637 | |
| 337 | A | A | 0.0000 | |
| 338 | V | A | 0.7989 | |
| 339 | Y | A | 0.5927 | |
| 340 | T | A | 0.1641 | |
| 341 | F | A | 0.1353 | |
| 342 | M | A | 0.4491 | |
| 343 | K | A | 0.0000 | |
| 344 | P | A | 0.2309 | |
| 345 | A | A | -0.2656 | |
| 346 | V | A | -0.4595 | |
| 347 | K | A | -1.6470 | |
| 348 | A | A | -1.1804 | |
| 349 | E | A | -1.6707 | |
| 350 | S | A | -1.0118 | |
| 351 | C | A | 0.0000 | |
| 352 | N | A | -1.5945 | |
| 353 | S | A | -1.7126 | |
| 354 | F | A | 0.0000 | |
| 355 | K | A | -2.3549 | |
| 356 | C | A | -1.0041 | |
| 357 | L | A | 0.0000 | |
| 358 | S | A | -1.2171 | |
| 359 | N | A | -1.5134 | |
| 360 | T | A | -0.5014 | |
| 361 | F | A | -0.1266 | |
| 362 | G | A | 0.0000 | |
| 363 | S | A | -0.5286 | |
| 364 | A | A | -0.2187 | |
| 365 | S | A | -0.4422 | |
| 366 | S | A | -0.2849 | |
| 367 | M | A | -0.1557 | |
| 368 | T | A | 0.0000 | |
| 369 | R | A | -0.3976 | |
| 370 | Y | A | 0.0000 | |
| 371 | Y | A | 0.0000 | |
| 372 | A | A | 0.0000 | |
| 373 | C | A | 0.0000 | |
| 374 | G | A | 0.0000 | |
| 375 | P | A | -1.2096 | |
| 376 | R | A | -1.3995 | |
| 377 | S | A | -1.6006 | |
| 378 | N | A | -2.0860 | |
| 379 | W | A | 0.0000 | |
| 380 | I | A | -0.0912 | |
| 381 | L | A | 0.0000 | |
| 382 | Q | A | 0.0000 | |
| 383 | T | A | 0.0000 | |
| 384 | I | A | 0.0000 | |
| 385 | V | A | 0.0000 | |
| 386 | N | A | 0.0000 | |
| 387 | E | A | 0.0000 | |
| 388 | G | A | -0.0675 | |
| 389 | E | A | 0.0913 | |
| 390 | I | A | 0.8312 | |
| 391 | V | A | 0.5862 | |
| 392 | Q | A | 0.1368 | |
| 393 | R | A | -0.5661 | |
| 394 | P | A | -0.0111 | |
| 395 | V | A | 0.2653 | |
| 396 | G | A | -0.1032 | |
| 397 | V | A | -0.1993 | |
| 398 | K | A | -1.0021 | |
| 399 | S | A | -0.6594 | |
| 400 | E | A | -0.7153 | |
| 401 | T | A | -0.0089 | |
| 402 | I | A | 0.6402 | |
| 403 | T | A | 0.0000 | |
| 404 | T | A | 0.5920 | |
| 405 | G | A | 0.0000 | |
| 406 | T | A | 0.0692 | |
| 407 | R | A | -0.2493 | |
| 408 | Q | A | 0.0000 | |
| 409 | V | A | -0.1099 | |
| 410 | L | A | 0.0000 | |
| 411 | K | A | -1.1230 | |
| 412 | L | A | 0.0000 | |
| 413 | R | A | -1.9969 | |
| 414 | T | A | -0.7706 | |
| 415 | I | A | -0.1080 | |
| 416 | Q | A | -0.5838 | |
| 417 | P | A | -0.7136 | |
| 418 | I | A | -0.8424 | |
| 419 | S | A | -0.8461 | |
| 420 | S | A | -1.1669 | |
| 421 | E | A | -2.2939 | |
| 422 | V | A | 0.0000 | |
| 423 | P | A | -1.6226 | |
| 424 | K | A | -2.3396 | |
| 425 | P | A | 0.0000 | |
| 426 | P | A | -1.5707 | |
| 427 | Q | A | -2.1213 | |
| 428 | P | A | -2.0029 | |
| 429 | R | A | -1.8822 | |
| 430 | T | A | -1.2146 | |
| 431 | T | A | -1.3988 | |
| 432 | E | A | -2.1905 | |
| 433 | S | A | -1.1077 | |
| 434 | I | A | 0.0000 | |
| 435 | M | A | -0.0871 | |
| 436 | Y | A | 0.7178 | |
| 437 | E | A | 0.6358 | |
| 438 | Y | A | 1.3176 | |
| 439 | I | A | 1.4082 | |
| 440 | N | A | -0.3177 | |
| 441 | A | A | 0.2498 | |
| 442 | G | A | -0.6070 | |
| 443 | Q | A | -1.3269 | |
| 444 | V | A | -0.1856 | |
| 445 | S | A | -1.4170 | |
| 446 | R | A | -2.4699 | |
| 447 | Q | A | -2.0496 | |
| 448 | Q | A | -1.7607 | |
| 449 | I | A | -0.6519 | |
| 450 | G | A | -0.4950 | |
| 451 | I | A | 0.8472 | |
| 452 | I | A | 0.6946 | |
| 453 | P | A | -0.2696 | |
| 454 | K | A | -1.4468 | |
| 455 | I | A | 0.0000 | |
| 456 | P | A | -0.7751 | |
| 457 | Q | A | -1.2578 | |
| 458 | S | A | -1.1292 | |
| 459 | E | A | -1.1422 | |
| 460 | L | A | -1.0893 | |
| 461 | K | A | -1.7487 | |
| 462 | S | A | -1.2789 | |
| 463 | G | A | -0.9720 | |
| 464 | E | A | -0.8779 | |
| 465 | I | A | -0.1994 | |
| 466 | Y | A | 0.1140 | |
| 467 | K | A | -1.3450 | |
| 468 | Y | A | -0.4707 | |
| 469 | L | A | 0.3431 | |
| 470 | P | A | -0.2494 | |
| 471 | R | A | -1.8433 | |
| 472 | H | A | -1.0486 | |
| 473 | F | A | 0.8183 | |
| 474 | N | A | -0.8152 | |
| 475 | P | A | -0.8200 | |
| 476 | A | A | -0.6310 | |
| 477 | P | A | -1.0930 | |
| 478 | S | A | -0.7669 | |
| 479 | S | A | -1.2746 | |
| 480 | T | A | -1.4764 | |
| 481 | E | A | -2.7332 | |
| 482 | S | A | -2.5807 | |
| 483 | K | A | -3.1717 | |
| 484 | Q | A | -2.5819 | |
| 485 | H | A | -1.7730 | |
| 486 | L | A | -0.3168 | |
| 487 | S | A | -0.6060 | |
| 488 | A | A | -0.6143 | |
| 489 | T | A | -0.8046 | |
| 490 | K | A | -1.5784 | |
| 491 | I | A | 0.0000 | |
| 492 | K | A | -1.1760 | |
| 493 | A | A | -1.5060 | |
| 494 | E | A | -1.8226 | |
| 495 | L | A | 0.0000 | |
| 496 | K | A | -1.2686 | |
| 497 | S | A | -0.6293 | |
| 498 | Y | A | -0.1070 | |
| 499 | I | A | 0.0000 | |
| 500 | I | A | -0.2340 | |
| 501 | S | A | -0.5710 | |
| 502 | I | A | 0.0000 | |
| 503 | I | A | 0.0000 | |
| 504 | D | A | -1.6991 | |
| 505 | D | A | -1.0831 | |
| 506 | L | A | -0.0685 | |
| 507 | S | A | -0.6174 | |
| 508 | S | A | -0.3322 | |
| 509 | V | A | 0.5180 | |
| 510 | E | A | -1.7742 | |
| 511 | E | A | -2.3676 | |
| 512 | L | A | -0.6116 | |
| 513 | A | A | -1.2331 | |
| 514 | Q | A | -2.0421 | |
| 515 | K | A | -1.4729 | |
| 516 | E | A | -0.9583 | |
| 517 | I | A | -0.1639 | |
| 518 | P | A | -0.1049 | |
| 519 | L | A | -0.0896 | |
| 520 | R | A | -0.2976 | |
| 521 | L | A | 0.2060 | |
| 522 | T | A | -0.0656 | |
| 523 | T | A | -0.2613 | |
| 524 | F | A | 0.0000 | |
| 525 | I | A | 0.4042 | |
| 526 | R | A | 0.0395 | |
| 527 | G | A | 0.1456 | |
| 528 | M | A | 0.0000 | |
| 529 | T | A | 0.5507 | |
| 530 | L | A | 1.2015 | |
| 531 | L | A | 0.0000 | |
| 532 | K | A | -1.5286 | |
| 533 | V | A | -1.5948 | |
| 534 | E | A | -2.2711 | |
| 535 | D | A | -1.3702 | |
| 536 | I | A | 0.0000 | |
| 537 | K | A | -1.6852 | |
| 538 | S | A | -1.5200 | |
| 539 | L | A | 0.0000 | |
| 540 | Y | A | 0.0000 | |
| 541 | T | A | -1.2556 | |
| 542 | D | A | -1.9691 | |
| 543 | L | A | 0.0000 | |
| 544 | K | A | -0.8501 | |
| 545 | S | A | -0.8114 | |
| 546 | T | A | -0.6026 | |
| 547 | V | A | 0.0000 | |
| 548 | Y | A | -0.0804 | |
| 549 | S | A | -0.1752 | |
| 550 | P | A | -0.3942 | |
| 551 | A | A | -0.3457 | |
| 552 | H | A | -1.2559 | |
| 553 | S | A | -1.1914 | |
| 554 | N | A | -2.0838 | |
| 555 | Q | A | -2.4607 | |
| 556 | E | A | -2.8234 | |
| 557 | K | A | -2.0233 | |
| 558 | I | A | -1.2864 | |
| 559 | S | A | -1.3022 | |
| 560 | M | A | -0.8643 | |
| 561 | F | A | 0.0000 | |
| 562 | H | A | -0.8181 | |
| 563 | N | A | -0.9018 | |
| 564 | I | A | -0.2736 | |
| 565 | F | A | 0.0000 | |
| 566 | F | A | 0.0000 | |
| 567 | D | A | -0.4229 | |
| 568 | A | A | 0.0000 | |
| 569 | V | A | 0.0000 | |
| 570 | M | A | 0.0000 | |
| 571 | V | A | 0.2351 | |
| 572 | S | A | 0.0000 | |
| 573 | G | A | 0.0000 | |
| 574 | T | A | 0.1542 | |
| 575 | T | A | 0.0000 | |
| 576 | P | A | 0.0000 | |
| 577 | A | A | 0.0000 | |
| 578 | V | A | 0.0000 | |
| 579 | L | A | -0.5987 | |
| 580 | F | A | 0.0000 | |
| 581 | L | A | 0.0000 | |
| 582 | K | A | -0.9529 | |
| 583 | D | A | -1.6051 | |
| 584 | M | A | -1.2916 | |
| 585 | I | A | 0.0000 | |
| 586 | K | A | -2.1828 | |
| 587 | S | A | -1.7255 | |
| 588 | K | A | -2.3487 | |
| 589 | E | A | -1.5765 | |
| 590 | I | A | 0.0000 | |
| 591 | P | A | -0.4281 | |
| 592 | T | A | -0.0535 | |
| 593 | Y | A | 0.2284 | |
| 594 | Q | A | 0.0000 | |
| 595 | A | A | 0.0000 | |
| 596 | T | A | 0.0000 | |
| 597 | Y | A | 0.6224 | |
| 598 | L | A | 0.0000 | |
| 599 | L | A | 0.0000 | |
| 600 | M | A | 0.2463 | |
| 601 | L | A | 0.1940 | |
| 602 | L | A | 0.0000 | |
| 603 | P | A | 0.0000 | |
| 604 | H | A | -0.9450 | |
| 605 | H | A | -0.5100 | |
| 606 | I | A | 0.0000 | |
| 607 | I | A | 0.0580 | |
| 608 | T | A | 0.0000 | |
| 609 | P | A | 0.0000 | |
| 610 | T | A | 0.0000 | |
| 611 | K | A | -1.7393 | |
| 612 | E | A | -1.4813 | |
| 613 | V | A | 0.0000 | |
| 614 | F | A | 0.0000 | |
| 615 | T | A | -0.9928 | |
| 616 | S | A | 0.0000 | |
| 617 | L | A | 0.0000 | |
| 618 | L | A | -0.9691 | |
| 619 | E | A | -2.0304 | |
| 620 | I | A | 0.0000 | |
| 621 | I | A | 0.0000 | |
| 622 | Q | A | -1.8023 | |
| 623 | S | A | 0.0000 | |
| 624 | E | A | -2.1419 | |
| 625 | I | A | 0.0000 | |
| 626 | V | A | 0.0000 | |
| 627 | I | A | -0.2472 | |
| 628 | S | A | -0.4454 | |
| 629 | N | A | -0.3803 | |
| 630 | T | A | -0.1856 | |
| 631 | I | A | -0.0636 | |
| 632 | L | A | 0.0000 | |
| 633 | Y | A | 0.0000 | |
| 634 | N | A | -0.2044 | |
| 635 | T | A | 0.1505 | |
| 636 | A | A | 0.0000 | |
| 637 | I | A | 0.0000 | |
| 638 | L | A | 0.4518 | |
| 639 | S | A | 0.0000 | |
| 640 | M | A | 0.0000 | |
| 641 | S | A | 0.0000 | |
| 642 | N | A | -0.5986 | |
| 643 | L | A | 0.0000 | |
| 644 | V | A | 0.0000 | |
| 645 | E | A | -1.1186 | |
| 646 | K | A | -1.4295 | |
| 647 | T | A | 0.0000 | |
| 648 | C | A | 0.0000 | |
| 649 | L | A | 0.0000 | |
| 650 | D | A | -1.9953 | |
| 651 | K | A | -2.3577 | |
| 652 | S | A | -1.5861 | |
| 653 | R | A | -1.9644 | |
| 654 | Q | A | -1.9105 | |
| 655 | V | A | -0.6078 | |
| 656 | S | A | -0.6132 | |
| 657 | Y | A | 0.0000 | |
| 658 | P | A | 0.0000 | |
| 659 | T | A | -0.7796 | |
| 660 | A | A | -0.5716 | |
| 661 | V | A | 0.0000 | |
| 662 | F | A | -0.7892 | |
| 663 | G | A | -1.1695 | |
| 664 | Q | A | -1.5916 | |
| 665 | F | A | 0.0000 | |
| 666 | C | A | 0.0000 | |
| 667 | D | A | -1.7487 | |
| 668 | A | A | -1.4121 | |
| 669 | Q | A | -2.0088 | |
| 670 | S | A | -2.0506 | |
| 671 | E | A | -2.8265 | |
| 672 | I | A | 0.0000 | |
| 673 | V | A | 0.0000 | |
| 674 | T | A | -2.2373 | |
| 675 | E | A | -2.9239 | |
| 676 | K | A | -2.0520 | |
| 677 | W | A | 0.0000 | |
| 678 | I | A | 0.0000 | |
| 679 | P | A | -1.3741 | |
| 680 | Y | A | -1.0594 | |
| 681 | L | A | 0.0000 | |
| 682 | T | A | -1.2721 | |
| 683 | K | A | -2.0795 | |
| 684 | A | A | 0.0000 | |
| 685 | V | A | 0.0000 | |
| 686 | Q | A | -1.7119 | |
| 687 | T | A | -1.2066 | |
| 688 | A | A | -1.0924 | |
| 689 | P | A | -0.9198 | |
| 690 | T | A | -0.8522 | |
| 691 | A | A | -0.7635 | |
| 692 | D | A | -1.8551 | |
| 693 | R | A | 0.0000 | |
| 694 | R | A | 0.0000 | |
| 695 | N | A | -0.4657 | |
| 696 | A | A | -0.2947 | |
| 697 | I | A | 0.0000 | |
| 698 | I | A | 0.0000 | |
| 699 | M | A | 0.4328 | |
| 700 | A | A | 0.0000 | |
| 701 | L | A | 0.0000 | |
| 702 | G | A | 0.0000 | |
| 703 | A | A | -0.1442 | |
| 704 | L | A | 0.0000 | |
| 705 | K | A | -0.9604 | |
| 706 | H | A | 0.0000 | |
| 707 | K | A | -1.4293 | |
| 708 | D | A | -1.6871 | |
| 709 | I | A | 0.0000 | |
| 710 | I | A | 0.0000 | |
| 711 | P | A | -0.5685 | |
| 712 | A | A | 0.0000 | |
| 713 | L | A | 0.0000 | |
| 714 | L | A | -0.3509 | |
| 715 | P | A | -1.0654 | |
| 716 | L | A | 0.0000 | |
| 717 | V | A | 0.0000 | |
| 718 | E | A | -2.2049 | |
| 719 | G | A | -1.6265 | |
| 720 | H | A | -1.4825 | |
| 721 | G | A | -0.9512 | |
| 722 | P | A | -0.5134 | |
| 723 | I | A | 0.2890 | |
| 724 | E | A | -0.6223 | |
| 725 | Q | A | -1.3722 | |
| 726 | G | A | -0.9868 | |
| 727 | S | A | -0.3593 | |
| 728 | G | A | 0.0534 | |
| 729 | V | A | 1.3773 | |
| 730 | A | A | 0.5482 | |
| 731 | F | A | 0.0000 | |
| 732 | P | A | 0.1437 | |
| 733 | N | A | -0.9050 | |
| 734 | I | A | 0.6691 | |
| 735 | S | A | 0.0000 | |
| 736 | R | A | -0.7654 | |
| 737 | T | A | 0.0000 | |
| 738 | L | A | 0.5298 | |
| 739 | S | A | 0.0000 | |
| 740 | I | A | 0.0000 | |
| 741 | Y | A | 0.3006 | |
| 742 | A | A | 0.0000 | |
| 743 | I | A | 0.0000 | |
| 744 | G | A | 0.0000 | |
| 745 | N | A | -0.7301 | |
| 746 | V | A | 0.0000 | |
| 747 | R | A | -1.1885 | |
| 748 | V | A | -0.3843 | |
| 749 | H | A | -0.9643 | |
| 750 | H | A | -1.0455 | |
| 751 | P | A | -1.2380 | |
| 752 | E | A | -1.7243 | |
| 753 | L | A | -0.4743 | |
| 754 | V | A | 0.0000 | |
| 755 | L | A | -0.2702 | |
| 756 | P | A | -0.2080 | |
| 757 | I | A | 0.1916 | |
| 758 | I | A | 0.0000 | |
| 759 | L | A | -0.0497 | |
| 760 | S | A | -0.3296 | |
| 761 | V | A | 0.0000 | |
| 762 | Y | A | 0.0000 | |
| 763 | S | A | -0.6085 | |
| 764 | N | A | -0.9948 | |
| 765 | P | A | -1.1663 | |
| 766 | A | A | -0.5764 | |
| 767 | E | A | -1.2013 | |
| 768 | N | A | -1.3771 | |
| 769 | T | A | -1.1891 | |
| 770 | Q | A | -1.3074 | |
| 771 | L | A | 0.0000 | |
| 772 | R | A | 0.0000 | |
| 773 | I | A | -0.5430 | |
| 774 | A | A | 0.0000 | |
| 775 | A | A | 0.0000 | |
| 776 | F | A | 0.0000 | |
| 777 | N | A | -0.8078 | |
| 778 | M | A | -0.5822 | |
| 779 | L | A | 0.0000 | |
| 780 | V | A | -0.6207 | |
| 781 | N | A | -1.7120 | |
| 782 | M | A | -0.8143 | |
| 783 | N | A | -0.9653 | |
| 784 | P | A | 0.0000 | |
| 785 | P | A | -0.4853 | |
| 786 | M | A | -0.5306 | |
| 787 | N | A | -1.5443 | |
| 788 | I | A | -0.8601 | |
| 789 | I | A | 0.0000 | |
| 790 | Q | A | -1.0149 | |
| 791 | K | A | -1.4000 | |
| 792 | I | A | 0.0000 | |
| 793 | A | A | 0.0000 | |
| 794 | A | A | -0.0706 | |
| 795 | M | A | -0.2194 | |
| 796 | T | A | 0.0000 | |
| 797 | W | A | 0.3826 | |
| 798 | S | A | -0.3165 | |
| 799 | E | A | -1.0834 | |
| 800 | K | A | -1.8848 | |
| 801 | N | A | -1.3903 | |
| 802 | T | A | -0.9434 | |
| 803 | E | A | -1.0372 | |
| 804 | V | A | 0.0000 | |
| 805 | L | A | -0.9458 | |
| 806 | K | A | -0.9357 | |
| 807 | K | A | -0.5547 | |
| 808 | T | A | 0.0000 | |
| 809 | Y | A | 0.0000 | |
| 810 | T | A | -0.0903 | |
| 811 | G | A | -0.1370 | |
| 812 | F | A | 0.0000 | |
| 813 | Y | A | -0.2966 | |
| 814 | T | A | -0.4023 | |
| 815 | L | A | -0.6282 | |
| 816 | S | A | 0.0000 | |
| 817 | R | A | -1.8763 | |
| 818 | S | A | -1.2851 | |
| 819 | V | A | -1.3490 | |
| 820 | D | A | -1.3229 | |
| 821 | I | A | 0.4507 | |
| 822 | S | A | -0.2581 | |
| 823 | N | A | -1.1897 | |
| 824 | L | A | -0.0113 | |
| 825 | E | A | -1.6940 | |
| 826 | D | A | -1.6383 | |
| 827 | T | A | -1.2330 | |
| 828 | S | A | -1.2901 | |
| 829 | P | A | -1.5315 | |
| 830 | E | A | -2.3009 | |
| 831 | S | A | 0.0000 | |
| 832 | T | A | -0.9269 | |
| 833 | L | A | 0.0000 | |
| 834 | A | A | 0.0000 | |
| 835 | K | A | -0.2788 | |
| 836 | K | A | -0.3578 | |
| 837 | T | A | 0.0000 | |
| 838 | Q | A | 0.3985 | |
| 839 | L | A | 1.3351 | |
| 840 | V | A | 0.0000 | |
| 841 | V | A | 0.0000 | |
| 842 | P | A | 0.1627 | |
| 843 | L | A | 0.7342 | |
| 844 | M | A | 0.0000 | |
| 845 | R | A | -1.5146 | |
| 846 | K | A | -2.0679 | |
| 847 | T | A | -1.2569 | |
| 848 | S | A | -0.4848 | |
| 849 | G | A | 0.1551 | |
| 850 | V | A | 1.1501 | |
| 851 | L | A | 0.1258 | |
| 852 | Q | A | -1.0077 | |
| 853 | G | A | -1.1676 | |
| 854 | G | A | -1.1984 | |
| 855 | S | A | -0.7894 | |
| 856 | G | A | -0.3370 | |
| 857 | V | A | 0.5798 | |
| 858 | E | A | -1.2052 | |
| 859 | M | A | -0.5092 | |
| 860 | S | A | -1.1867 | |
| 861 | P | A | -1.2199 | |
| 862 | I | A | -0.7981 | |
| 863 | L | A | 0.0000 | |
| 864 | G | A | 0.0000 | |
| 865 | Y | A | 0.0000 | |
| 866 | W | A | -0.5058 | |
| 867 | K | A | -1.0055 | |
| 868 | I | A | 0.0000 | |
| 869 | K | A | 0.0000 | |
| 870 | G | A | 0.0000 | |
| 871 | L | A | 0.5946 | |
| 872 | V | A | 0.0000 | |
| 873 | Q | A | 0.0000 | |
| 874 | P | A | 0.0000 | |
| 875 | T | A | 0.0000 | |
| 876 | R | A | 0.0000 | |
| 877 | L | A | 0.0000 | |
| 878 | L | A | 0.0000 | |
| 879 | L | A | 0.0000 | |
| 880 | E | A | -1.5165 | |
| 881 | Y | A | -0.8494 | |
| 882 | L | A | -1.1809 | |
| 883 | E | A | -2.5583 | |
| 884 | E | A | -2.5932 | |
| 885 | K | A | -2.7316 | |
| 886 | Y | A | -1.9064 | |
| 887 | E | A | -1.8917 | |
| 888 | E | A | -1.1682 | |
| 889 | H | A | -0.5435 | |
| 890 | L | A | -0.4351 | |
| 891 | Y | A | 0.0000 | |
| 892 | E | A | -2.6422 | |
| 893 | R | A | -3.6977 | |
| 894 | D | A | -3.6727 | |
| 895 | E | A | -3.4750 | |
| 896 | G | A | -3.2824 | |
| 897 | D | A | -3.9433 | |
| 898 | K | A | -3.6448 | |
| 899 | W | A | -3.2290 | |
| 900 | R | A | -3.8538 | |
| 901 | N | A | -3.4998 | |
| 902 | K | A | -2.9014 | |
| 903 | K | A | -2.2755 | |
| 904 | F | A | -1.2914 | |
| 905 | E | A | -2.2953 | |
| 906 | L | A | -1.5142 | |
| 907 | G | A | -1.4664 | |
| 908 | L | A | 0.0000 | |
| 909 | E | A | -1.1470 | |
| 910 | F | A | 0.4390 | |
| 911 | P | A | -0.9273 | |
| 912 | N | A | -1.4059 | |
| 913 | L | A | 0.0000 | |
| 914 | P | A | 0.0000 | |
| 915 | Y | A | 0.0000 | |
| 916 | Y | A | 0.0000 | |
| 917 | I | A | 0.0000 | |
| 918 | D | A | -1.1397 | |
| 919 | G | A | -1.5383 | |
| 920 | D | A | -2.1350 | |
| 921 | V | A | -1.0259 | |
| 922 | K | A | -1.2577 | |
| 923 | L | A | -0.6482 | |
| 924 | T | A | -0.7587 | |
| 925 | Q | A | -0.9850 | |
| 926 | S | A | 0.0000 | |
| 927 | M | A | -0.3335 | |
| 928 | A | A | -0.5001 | |
| 929 | I | A | 0.0000 | |
| 930 | I | A | 0.0000 | |
| 931 | R | A | -1.6547 | |
| 932 | Y | A | -1.3874 | |
| 933 | I | A | 0.0000 | |
| 934 | A | A | 0.0000 | |
| 935 | D | A | -3.3674 | |
| 936 | K | A | -3.2216 | |
| 937 | H | A | -2.4999 | |
| 938 | N | A | -2.7899 | |
| 939 | M | A | 0.0000 | |
| 940 | L | A | -1.8855 | |
| 941 | G | A | -1.8774 | |
| 942 | G | A | -1.2633 | |
| 943 | C | A | -1.2280 | |
| 944 | P | A | -1.7753 | |
| 945 | K | A | -2.9438 | |
| 946 | E | A | -2.5687 | |
| 947 | R | A | -2.3467 | |
| 948 | A | A | -1.7804 | |
| 949 | E | A | -2.0649 | |
| 950 | I | A | 0.0000 | |
| 951 | S | A | -0.9186 | |
| 952 | M | A | -0.2168 | |
| 953 | L | A | 0.0000 | |
| 954 | E | A | 0.0000 | |
| 955 | G | A | -0.5450 | |
| 956 | A | A | -0.4183 | |
| 957 | V | A | 0.0000 | |
| 958 | L | A | -0.4672 | |
| 959 | D | A | -1.5168 | |
| 960 | I | A | 0.0000 | |
| 961 | R | A | 0.0000 | |
| 962 | Y | A | -0.3210 | |
| 963 | G | A | -1.0397 | |
| 964 | V | A | 0.0000 | |
| 965 | S | A | -0.5583 | |
| 966 | R | A | -1.4478 | |
| 967 | I | A | 0.0000 | |
| 968 | A | A | 0.0000 | |
| 969 | Y | A | -0.4142 | |
| 970 | S | A | -1.5720 | |
| 971 | K | A | -2.6283 | |
| 972 | D | A | -3.0417 | |
| 973 | F | A | 0.0000 | |
| 974 | E | A | -2.4635 | |
| 975 | T | A | -1.4434 | |
| 976 | L | A | -1.1551 | |
| 977 | K | A | -0.7276 | |
| 978 | V | A | 0.3819 | |
| 979 | D | A | -1.2486 | |
| 980 | F | A | 0.0000 | |
| 981 | L | A | -0.5241 | |
| 982 | S | A | -1.2264 | |
| 983 | K | A | -2.2399 | |
| 984 | L | A | 0.0000 | |
| 985 | P | A | -1.7997 | |
| 986 | E | A | -2.7577 | |
| 987 | M | A | -1.7844 | |
| 988 | L | A | 0.0000 | |
| 989 | K | A | -2.7579 | |
| 990 | M | A | -1.4901 | |
| 991 | F | A | 0.0000 | |
| 992 | E | A | -1.8371 | |
| 993 | D | A | -2.5172 | |
| 994 | R | A | -1.6406 | |
| 995 | L | A | 0.0000 | |
| 996 | C | A | -1.1732 | |
| 997 | H | A | -1.6406 | |
| 998 | K | A | -1.9480 | |
| 999 | T | A | -1.4021 | |
| 1000 | Y | A | -1.1840 | |
| 1001 | L | A | 0.0000 | |
| 1002 | N | A | -1.4287 | |
| 1003 | G | A | -1.8154 | |
| 1004 | D | A | -2.6144 | |
| 1005 | H | A | -2.0058 | |
| 1006 | V | A | 0.0000 | |
| 1007 | T | A | 0.0000 | |
| 1008 | H | A | 0.0000 | |
| 1009 | P | A | 0.0000 | |
| 1010 | D | A | 0.0000 | |
| 1011 | F | A | 0.0000 | |
| 1012 | M | A | 0.0000 | |
| 1013 | L | A | 0.0000 | |
| 1014 | Y | A | 0.0000 | |
| 1015 | D | A | 0.0000 | |
| 1016 | A | A | 0.0000 | |
| 1017 | L | A | 0.0000 | |
| 1018 | D | A | -0.1815 | |
| 1019 | V | A | 0.0000 | |
| 1020 | V | A | 0.0000 | |
| 1021 | L | A | 0.2615 | |
| 1022 | Y | A | 0.0747 | |
| 1023 | M | A | 0.0000 | |
| 1024 | D | A | 0.0153 | |
| 1025 | P | A | -0.1550 | |
| 1026 | M | A | 0.3687 | |
| 1027 | C | A | 0.0078 | |
| 1028 | L | A | 0.0000 | |
| 1029 | D | A | -1.3931 | |
| 1030 | A | A | -0.9287 | |
| 1031 | F | A | 0.0000 | |
| 1032 | P | A | -0.5037 | |
| 1033 | K | A | -1.0841 | |
| 1034 | L | A | 0.0000 | |
| 1035 | V | A | 0.0095 | |
| 1036 | C | A | -0.1014 | |
| 1037 | F | A | 0.0000 | |
| 1038 | K | A | -1.0091 | |
| 1039 | K | A | -1.9230 | |
| 1040 | R | A | -1.3614 | |
| 1041 | I | A | 0.0000 | |
| 1042 | E | A | -1.5430 | |
| 1043 | A | A | -1.3078 | |
| 1044 | I | A | 0.0000 | |
| 1045 | P | A | -1.0357 | |
| 1046 | Q | A | -1.4486 | |
| 1047 | I | A | 0.0000 | |
| 1048 | D | A | -2.1827 | |
| 1049 | K | A | -2.8610 | |
| 1050 | Y | A | 0.0000 | |
| 1051 | L | A | -1.8231 | |
| 1052 | K | A | -2.8112 | |
| 1053 | S | A | -1.9732 | |
| 1054 | S | A | -1.5119 | |
| 1055 | K | A | -2.1543 | |
| 1056 | Y | A | -1.2504 | |
| 1057 | I | A | 0.0000 | |
| 1058 | A | A | -0.1198 | |
| 1059 | W | A | 0.0000 | |
| 1060 | P | A | 0.0000 | |
| 1061 | L | A | 0.0000 | |
| 1062 | Q | A | 0.0000 | |
| 1063 | G | A | 0.0000 | |
| 1064 | W | A | -1.5305 | |
| 1065 | Q | A | -1.4438 | |
| 1066 | A | A | 0.0000 | |
| 1067 | T | A | -0.8710 | |
| 1068 | F | A | -0.3220 | |
| 1069 | G | A | 0.0000 | |
| 1070 | G | A | -0.9074 | |
| 1071 | G | A | -1.8766 | |
| 1072 | D | A | -2.7688 | |
| 1073 | H | A | -2.2497 | |
| 1074 | P | A | -1.6392 | |
| 1075 | P | A | -1.7752 | |
| 1076 | K | A | -2.3352 | |
| 1077 | G | A | -1.5565 | |
| 1078 | G | A | -0.9508 | |
| 1079 | S | A | -0.6690 | |
| 1080 | G | A | -0.5173 | |
| 1081 | V | A | 0.3679 | |
| 1082 | E | A | -1.8114 | |
| 1083 | H | A | -2.1514 | |
| 1084 | H | A | -2.5619 | |
| 1085 | H | A | -3.0354 | |
| 1086 | H | A | -2.6757 | |
| 1087 | H | A | -2.4268 | |
| 1088 | H | A | -1.9253 |
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 | -0.7492 | 3.4732 | View | CSV | PDB |
| 4.5 | -0.8184 | 3.365 | View | CSV | PDB |
| 5.0 | -0.9013 | 3.1943 | View | CSV | PDB |
| 5.5 | -0.9792 | 2.9896 | View | CSV | PDB |
| 6.0 | -1.0328 | 2.7896 | View | CSV | PDB |
| 6.5 | -1.0509 | 2.6857 | View | CSV | PDB |
| 7.0 | -1.0377 | 2.7244 | View | CSV | PDB |
| 7.5 | -1.0056 | 2.7649 | View | CSV | PDB |
| 8.0 | -0.9641 | 2.7799 | View | CSV | PDB |
| 8.5 | -0.9155 | 2.8628 | View | CSV | PDB |
| 9.0 | -0.8593 | 3.0447 | 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