| Chain sequence(s) |
A: HHHHHHGGSGVEMSDQEAKPSTEDLGDKKEGEYIKLKVIGQDSSEIHFKVKMTTHLKKLKESYCQRQGVPMNSLRFLFEGQRIADNHTPKELGMEEEDVIEVYQEQTGGHSTVDNSRLWQAGKEHIFHYTGRLLSGIPGLRPHFSGIGIETEVHLQVKSLEDIRLNLRQVNYTQVNGPLSPGLPHVTSSYEGSNWRYVLLPQFTQAPIDIKKLLKVPITFAIHDGEIKTITVSGTEQKWSLNFKKALVALFQTKMETSTLDLEMNTIVKDSDSTKNYWKVSEETIEGVCDVIYQVNELPEYIVKERAHYFPHLEACTSKKFYEITKTKEIDSCKKSAVYTFMKPAVKAKSCNRFKCLSRTFGSASSMTRYYACGPRSNWILQTIVNEGEIVQRPVGVKSETITTGTRQVLKLRTIQPISSEVPKPPQPRTTEKIMYEYINAGQVSRQQIGIIPKIPQSELKSGEIYKYLPRHFNPAPSSTESKQHLSATKIKAELKSYIISIIDDLSSVEELAQKEIPLRLTTFIRGMTLLKVEDIKSLYTDLKSTVYSPAHSNQEKISMFHNIFFDAVMVSGTTPAVLFLKDMIKSKEIPTYQATYLLMLLPHHIITPTKEVFTSLLEIIQSEIVISNTILYNTAILSMSNLVEKTCLDKSRQVSYPTAVFGQFCDAQSEIVTEKWIPYLTKAVQTAPTADRRNAIIMALGALKHKDIIPALLPLVEGHGPIEQGSGVAFPNISRTLSIYAIGNVRVHHPELVLPIILSVYSNPAENTQLRIAAFNMLVNMNPPMNIIQKIAAMTWSEKNTEVLKKTYTGFYTLSRSVDISNLEDTSPESTLAKKTQLVVPLMRKTSGVLQGGSGVEMSPILGYWKIKGLVQPTRLLLEYLEEKYEEHLYERDEGDKWRNKKFELGLEFPNLPYYIDGDVKLTQSMAIIRYIADKHNMLGGCPKERAEISMLEGAVLDIRYGVSRIAYSKDFETLKVDFLSKLPEMLKMFEDRLCHKTYLNGDHVTHPDFMLYDALDVVLYMDPMCLDAFPKLVCFKKRIEAIPQIDKYLKSSKYIAWPLQGWQATFGGGDHPPKGGSGVEHHHHHH
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 (00:22:40)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/f203a6d1cb6f0ab/tmp/folded.pdb (00:22:40)
[INFO] Main: Simulation completed successfully. (00:28:36)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | H | A | -1.8788 | |
| 2 | H | A | -2.3659 | |
| 3 | H | A | -2.6561 | |
| 4 | H | A | -2.7204 | |
| 5 | H | A | -2.5786 | |
| 6 | H | A | -2.2876 | |
| 7 | G | A | -1.7322 | |
| 8 | G | A | -1.1156 | |
| 9 | S | A | -0.6954 | |
| 10 | G | A | -0.2990 | |
| 11 | V | A | 0.8119 | |
| 12 | E | A | -0.9249 | |
| 13 | M | A | -0.2002 | |
| 14 | S | A | -1.5232 | |
| 15 | D | A | -2.9878 | |
| 16 | Q | A | -3.1427 | |
| 17 | E | A | -3.5186 | |
| 18 | A | A | -2.4140 | |
| 19 | K | A | -2.6153 | |
| 20 | P | A | -1.7706 | |
| 21 | S | A | -1.7124 | |
| 22 | T | A | -1.6535 | |
| 23 | E | A | -2.4424 | |
| 24 | D | A | -2.4625 | |
| 25 | L | A | -0.9107 | |
| 26 | G | A | -2.2634 | |
| 27 | D | A | -3.5691 | |
| 28 | K | A | -3.9763 | |
| 29 | K | A | -4.2968 | |
| 30 | E | A | -4.0529 | |
| 31 | G | A | -2.6708 | |
| 32 | E | A | -2.5421 | |
| 33 | Y | A | -2.2946 | |
| 34 | I | A | 0.0000 | |
| 35 | K | A | -2.7840 | |
| 36 | L | A | 0.0000 | |
| 37 | K | A | -1.7015 | |
| 38 | V | A | 0.0000 | |
| 39 | I | A | -0.9170 | |
| 40 | G | A | 0.0000 | |
| 41 | Q | A | -0.9461 | |
| 42 | D | A | -1.4696 | |
| 43 | S | A | -1.4478 | |
| 44 | S | A | -1.3119 | |
| 45 | E | A | -2.0324 | |
| 46 | I | A | -1.1219 | |
| 47 | H | A | -1.7635 | |
| 48 | F | A | 0.0000 | |
| 49 | K | A | -2.3304 | |
| 50 | V | A | 0.0000 | |
| 51 | K | A | -1.6385 | |
| 52 | M | A | -1.6106 | |
| 53 | T | A | -0.9751 | |
| 54 | T | A | -1.3237 | |
| 55 | H | A | -2.4455 | |
| 56 | L | A | 0.0000 | |
| 57 | K | A | -2.9998 | |
| 58 | K | A | -3.1858 | |
| 59 | L | A | 0.0000 | |
| 60 | K | A | 0.0000 | |
| 61 | E | A | -3.4620 | |
| 62 | S | A | -2.5290 | |
| 63 | Y | A | 0.0000 | |
| 64 | C | A | 0.0000 | |
| 65 | Q | A | -2.8574 | |
| 66 | R | A | -3.0043 | |
| 67 | Q | A | -2.1592 | |
| 68 | G | A | -1.5712 | |
| 69 | V | A | -1.0540 | |
| 70 | P | A | -1.0000 | |
| 71 | M | A | -1.3391 | |
| 72 | N | A | -1.5590 | |
| 73 | S | A | -0.8948 | |
| 74 | L | A | 0.0000 | |
| 75 | R | A | 0.0000 | |
| 76 | F | A | 0.0000 | |
| 77 | L | A | 0.0000 | |
| 78 | F | A | 0.0000 | |
| 79 | E | A | -2.4042 | |
| 80 | G | A | -1.8246 | |
| 81 | Q | A | -2.2023 | |
| 82 | R | A | -1.7659 | |
| 83 | I | A | 0.0000 | |
| 84 | A | A | -1.3857 | |
| 85 | D | A | -2.4973 | |
| 86 | N | A | -2.4620 | |
| 87 | H | A | -1.9406 | |
| 88 | T | A | -1.7969 | |
| 89 | P | A | 0.0000 | |
| 90 | K | A | -2.3848 | |
| 91 | E | A | -2.2259 | |
| 92 | L | A | -1.7006 | |
| 93 | G | A | -1.8562 | |
| 94 | M | A | 0.0000 | |
| 95 | E | A | -3.1028 | |
| 96 | E | A | -3.1768 | |
| 97 | E | A | -2.6766 | |
| 98 | D | A | -2.3008 | |
| 99 | V | A | -1.3637 | |
| 100 | I | A | 0.0000 | |
| 101 | E | A | -1.4846 | |
| 102 | V | A | 0.0000 | |
| 103 | Y | A | 0.0000 | |
| 104 | Q | A | -1.0814 | |
| 105 | E | A | -1.2897 | |
| 106 | Q | A | -1.5976 | |
| 107 | T | A | -1.1890 | |
| 108 | G | A | -1.4600 | |
| 109 | G | A | -1.4378 | |
| 110 | H | A | -1.7741 | |
| 111 | S | A | -1.2521 | |
| 112 | T | A | -1.4906 | |
| 113 | V | A | 0.0000 | |
| 114 | D | A | -2.7009 | |
| 115 | N | A | 0.0000 | |
| 116 | S | A | -1.7315 | |
| 117 | R | A | -2.1738 | |
| 118 | L | A | 0.0000 | |
| 119 | W | A | 0.0000 | |
| 120 | Q | A | -1.4037 | |
| 121 | A | A | -1.1666 | |
| 122 | G | A | -1.2334 | |
| 123 | K | A | -1.2456 | |
| 124 | E | A | 0.0000 | |
| 125 | H | A | 0.0000 | |
| 126 | I | A | -0.3055 | |
| 127 | F | A | 0.0000 | |
| 128 | H | A | -0.8931 | |
| 129 | Y | A | 0.0000 | |
| 130 | T | A | -0.2785 | |
| 131 | G | A | 0.0000 | |
| 132 | R | A | -0.2176 | |
| 133 | L | A | 0.1265 | |
| 134 | L | A | 0.0000 | |
| 135 | S | A | 0.0972 | |
| 136 | G | A | -0.1987 | |
| 137 | I | A | 0.1829 | |
| 138 | P | A | -0.3294 | |
| 139 | G | A | -0.3036 | |
| 140 | L | A | -0.0311 | |
| 141 | R | A | -1.4030 | |
| 142 | P | A | -1.0621 | |
| 143 | H | A | -1.5317 | |
| 144 | F | A | 0.0000 | |
| 145 | S | A | -1.0480 | |
| 146 | G | A | -0.6955 | |
| 147 | I | A | 0.0000 | |
| 148 | G | A | 0.0000 | |
| 149 | I | A | -0.1037 | |
| 150 | E | A | -0.7287 | |
| 151 | T | A | 0.0000 | |
| 152 | E | A | -1.3343 | |
| 153 | V | A | 0.0000 | |
| 154 | H | A | -0.2990 | |
| 155 | L | A | 0.0000 | |
| 156 | Q | A | 0.0000 | |
| 157 | V | A | 0.0000 | |
| 158 | K | A | -1.9855 | |
| 159 | S | A | -1.4589 | |
| 160 | L | A | -1.4534 | |
| 161 | E | A | -2.4072 | |
| 162 | D | A | -1.7637 | |
| 163 | I | A | 0.0000 | |
| 164 | R | A | -1.2782 | |
| 165 | L | A | 0.0000 | |
| 166 | N | A | 0.0000 | |
| 167 | L | A | 0.0000 | |
| 168 | R | A | -2.1121 | |
| 169 | Q | A | -2.3144 | |
| 170 | V | A | 0.0000 | |
| 171 | N | A | -1.2516 | |
| 172 | Y | A | -0.5622 | |
| 173 | T | A | 0.0000 | |
| 174 | Q | A | -1.4955 | |
| 175 | V | A | 0.0000 | |
| 176 | N | A | -1.8974 | |
| 177 | G | A | -1.5049 | |
| 178 | P | A | -1.2177 | |
| 179 | L | A | 0.0000 | |
| 180 | S | A | 0.0368 | |
| 181 | P | A | 0.1525 | |
| 182 | G | A | 0.3097 | |
| 183 | L | A | -0.0014 | |
| 184 | P | A | -0.5500 | |
| 185 | H | A | -0.8873 | |
| 186 | V | A | -0.2579 | |
| 187 | T | A | -0.2189 | |
| 188 | S | A | -0.1699 | |
| 189 | S | A | 0.1458 | |
| 190 | Y | A | 0.3854 | |
| 191 | E | A | -0.3288 | |
| 192 | G | A | 0.0000 | |
| 193 | S | A | 0.0000 | |
| 194 | N | A | -0.2626 | |
| 195 | W | A | 0.0000 | |
| 196 | R | A | -0.1200 | |
| 197 | Y | A | 0.4865 | |
| 198 | V | A | 0.0000 | |
| 199 | L | A | 1.2590 | |
| 200 | L | A | 0.4533 | |
| 201 | P | A | -0.3118 | |
| 202 | Q | A | -0.8708 | |
| 203 | F | A | -0.4305 | |
| 204 | T | A | -0.8466 | |
| 205 | Q | A | -1.1680 | |
| 206 | A | A | 0.0000 | |
| 207 | P | A | 0.0643 | |
| 208 | I | A | 1.0211 | |
| 209 | D | A | -0.1772 | |
| 210 | I | A | 0.0000 | |
| 211 | K | A | -1.4066 | |
| 212 | K | A | -1.7033 | |
| 213 | L | A | -0.9558 | |
| 214 | L | A | 0.0000 | |
| 215 | K | A | -2.0203 | |
| 216 | V | A | -1.0165 | |
| 217 | P | A | 0.0000 | |
| 218 | I | A | 0.0000 | |
| 219 | T | A | -0.8747 | |
| 220 | F | A | 0.0000 | |
| 221 | A | A | 0.0000 | |
| 222 | I | A | 0.0000 | |
| 223 | H | A | -2.7397 | |
| 224 | D | A | -3.1683 | |
| 225 | G | A | 0.0000 | |
| 226 | E | A | -2.0652 | |
| 227 | I | A | 0.0000 | |
| 228 | K | A | -2.7209 | |
| 229 | T | A | -1.9802 | |
| 230 | I | A | 0.0000 | |
| 231 | T | A | 0.0000 | |
| 232 | V | A | 0.0000 | |
| 233 | S | A | 0.0000 | |
| 234 | G | A | -1.1597 | |
| 235 | T | A | -0.8638 | |
| 236 | E | A | -0.8453 | |
| 237 | Q | A | -1.0530 | |
| 238 | K | A | -0.9479 | |
| 239 | W | A | -0.4285 | |
| 240 | S | A | 0.0000 | |
| 241 | L | A | 0.0000 | |
| 242 | N | A | -0.0451 | |
| 243 | F | A | 0.2558 | |
| 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 | -0.0093 | |
| 250 | L | A | 0.0000 | |
| 251 | F | A | 0.0000 | |
| 252 | Q | A | 0.0000 | |
| 253 | T | A | 0.0000 | |
| 254 | K | A | -1.4883 | |
| 255 | M | A | 0.0000 | |
| 256 | E | A | -2.0796 | |
| 257 | T | A | -1.0346 | |
| 258 | S | A | -0.7012 | |
| 259 | T | A | -0.1818 | |
| 260 | L | A | -0.0647 | |
| 261 | D | A | -1.5898 | |
| 262 | L | A | -1.1122 | |
| 263 | E | A | -2.2157 | |
| 264 | M | A | -0.8370 | |
| 265 | N | A | -0.7727 | |
| 266 | T | A | 0.4738 | |
| 267 | I | A | 1.8365 | |
| 268 | V | A | 1.1949 | |
| 269 | K | A | -1.3905 | |
| 270 | D | A | -2.4055 | |
| 271 | S | A | -2.1364 | |
| 272 | D | A | -2.8869 | |
| 273 | S | A | -2.0915 | |
| 274 | T | A | -1.8870 | |
| 275 | K | A | -2.0549 | |
| 276 | N | A | 0.0000 | |
| 277 | Y | A | -0.2745 | |
| 278 | W | A | -0.0235 | |
| 279 | K | A | -0.0720 | |
| 280 | V | A | 0.0814 | |
| 281 | S | A | -0.1761 | |
| 282 | E | A | 0.0000 | |
| 283 | E | A | -0.5817 | |
| 284 | T | A | 0.0000 | |
| 285 | I | A | 0.2211 | |
| 286 | E | A | -0.1451 | |
| 287 | G | A | 0.0000 | |
| 288 | V | A | -0.3462 | |
| 289 | C | A | 0.0000 | |
| 290 | D | A | -0.8407 | |
| 291 | V | A | 0.0000 | |
| 292 | I | A | -0.0548 | |
| 293 | Y | A | 0.0000 | |
| 294 | Q | A | 0.0000 | |
| 295 | V | A | 0.0000 | |
| 296 | N | A | 0.0000 | |
| 297 | E | A | -2.3823 | |
| 298 | L | A | 0.0000 | |
| 299 | P | A | -1.7041 | |
| 300 | E | A | -2.6224 | |
| 301 | Y | A | -0.8606 | |
| 302 | I | A | 0.0000 | |
| 303 | V | A | 0.0000 | |
| 304 | K | A | -2.7734 | |
| 305 | E | A | -3.0388 | |
| 306 | R | A | -2.0488 | |
| 307 | A | A | -1.5824 | |
| 308 | H | A | -1.6146 | |
| 309 | Y | A | -0.8443 | |
| 310 | F | A | 0.0000 | |
| 311 | P | A | -0.8983 | |
| 312 | H | A | -0.9985 | |
| 313 | L | A | -1.1725 | |
| 314 | E | A | -1.9352 | |
| 315 | A | A | -0.9901 | |
| 316 | C | A | 0.0000 | |
| 317 | T | A | -1.1376 | |
| 318 | S | A | -1.3207 | |
| 319 | K | A | -2.7324 | |
| 320 | K | A | -2.5280 | |
| 321 | F | A | 0.0000 | |
| 322 | Y | A | 0.0000 | |
| 323 | E | A | 0.0000 | |
| 324 | I | A | 0.0000 | |
| 325 | T | A | 0.0000 | |
| 326 | K | A | 0.0000 | |
| 327 | T | A | -0.6794 | |
| 328 | K | A | -0.9800 | |
| 329 | E | A | -1.4988 | |
| 330 | I | A | 0.0000 | |
| 331 | D | A | -1.6000 | |
| 332 | S | A | -1.3299 | |
| 333 | C | A | 0.0000 | |
| 334 | K | A | -2.0234 | |
| 335 | K | A | -1.0161 | |
| 336 | S | A | 0.0000 | |
| 337 | A | A | 0.5892 | |
| 338 | V | A | 1.0293 | |
| 339 | Y | A | 1.1016 | |
| 340 | T | A | 0.9679 | |
| 341 | F | A | 1.3602 | |
| 342 | M | A | 0.8019 | |
| 343 | K | A | -0.0014 | |
| 344 | P | A | -0.1869 | |
| 345 | A | A | 0.1415 | |
| 346 | V | A | 0.1748 | |
| 347 | K | A | -1.5309 | |
| 348 | A | A | -1.7099 | |
| 349 | K | A | -2.1881 | |
| 350 | S | A | -1.6545 | |
| 351 | C | A | -1.9680 | |
| 352 | N | A | -1.8868 | |
| 353 | R | A | -1.2166 | |
| 354 | F | A | -1.0213 | |
| 355 | K | A | -1.9831 | |
| 356 | C | A | -1.3186 | |
| 357 | L | A | -0.3840 | |
| 358 | S | A | -1.2991 | |
| 359 | R | A | -2.2670 | |
| 360 | T | A | -0.7625 | |
| 361 | F | A | -0.2995 | |
| 362 | G | A | 0.0000 | |
| 363 | S | A | -0.3682 | |
| 364 | A | A | 0.0202 | |
| 365 | S | A | -0.6605 | |
| 366 | S | A | -0.5026 | |
| 367 | M | A | -0.6533 | |
| 368 | T | A | 0.0000 | |
| 369 | R | A | -0.1562 | |
| 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 | -1.2059 | |
| 376 | R | A | -1.4095 | |
| 377 | S | A | -1.5468 | |
| 378 | N | A | -1.9275 | |
| 379 | W | A | 0.0000 | |
| 380 | I | A | -0.1899 | |
| 381 | L | A | 0.0000 | |
| 382 | Q | A | 0.0000 | |
| 383 | T | A | 0.0000 | |
| 384 | I | A | 0.0000 | |
| 385 | V | A | -0.0474 | |
| 386 | N | A | -0.2977 | |
| 387 | E | A | -0.6049 | |
| 388 | G | A | -0.1758 | |
| 389 | E | A | -0.0139 | |
| 390 | I | A | 0.9977 | |
| 391 | V | A | 0.5833 | |
| 392 | Q | A | -0.0500 | |
| 393 | R | A | -0.5597 | |
| 394 | P | A | 0.1241 | |
| 395 | V | A | 0.9799 | |
| 396 | G | A | 0.7557 | |
| 397 | V | A | 0.9071 | |
| 398 | K | A | -1.0810 | |
| 399 | S | A | -0.9380 | |
| 400 | E | A | -1.0593 | |
| 401 | T | A | -0.2981 | |
| 402 | I | A | 0.5645 | |
| 403 | T | A | 0.0000 | |
| 404 | T | A | 0.5793 | |
| 405 | G | A | 0.0000 | |
| 406 | T | A | -0.1330 | |
| 407 | R | A | -0.3607 | |
| 408 | Q | A | 0.0000 | |
| 409 | V | A | -0.1073 | |
| 410 | L | A | 0.0000 | |
| 411 | K | A | -0.9379 | |
| 412 | L | A | 0.0000 | |
| 413 | R | A | -1.1241 | |
| 414 | T | A | -0.3590 | |
| 415 | I | A | 0.0987 | |
| 416 | Q | A | -0.4344 | |
| 417 | P | A | -0.6509 | |
| 418 | I | A | -0.8497 | |
| 419 | S | A | -0.8276 | |
| 420 | S | A | -1.1617 | |
| 421 | E | A | -2.3199 | |
| 422 | V | A | 0.0000 | |
| 423 | P | A | -1.6152 | |
| 424 | K | A | -2.3291 | |
| 425 | P | A | 0.0000 | |
| 426 | P | A | -1.4205 | |
| 427 | Q | A | -1.8475 | |
| 428 | P | A | -1.4372 | |
| 429 | R | A | -0.7739 | |
| 430 | T | A | -0.6681 | |
| 431 | T | A | 0.0000 | |
| 432 | E | A | -2.4232 | |
| 433 | K | A | -1.2091 | |
| 434 | I | A | 0.0000 | |
| 435 | M | A | 0.0000 | |
| 436 | Y | A | 0.2727 | |
| 437 | E | A | 0.1082 | |
| 438 | Y | A | -0.1564 | |
| 439 | I | A | -0.6552 | |
| 440 | N | A | -1.6723 | |
| 441 | A | A | -1.3528 | |
| 442 | G | A | -1.4709 | |
| 443 | Q | A | -1.7014 | |
| 444 | V | A | -1.2293 | |
| 445 | S | A | -1.6814 | |
| 446 | R | A | -2.6019 | |
| 447 | Q | A | -1.8983 | |
| 448 | Q | A | -0.7763 | |
| 449 | I | A | -0.2216 | |
| 450 | G | A | 0.4748 | |
| 451 | I | A | 1.5718 | |
| 452 | I | A | 0.9189 | |
| 453 | P | A | -0.1307 | |
| 454 | K | A | -1.5036 | |
| 455 | I | A | 0.0000 | |
| 456 | P | A | -1.5202 | |
| 457 | Q | A | -2.1340 | |
| 458 | S | A | -1.3168 | |
| 459 | E | A | -1.1193 | |
| 460 | L | A | 0.0000 | |
| 461 | K | A | -1.8678 | |
| 462 | S | A | -0.9820 | |
| 463 | G | A | 0.0000 | |
| 464 | E | A | -0.4443 | |
| 465 | I | A | 0.1529 | |
| 466 | Y | A | 0.0771 | |
| 467 | K | A | -0.7597 | |
| 468 | Y | A | -0.0841 | |
| 469 | L | A | 0.2272 | |
| 470 | P | A | -0.7387 | |
| 471 | R | A | -2.3507 | |
| 472 | H | A | -1.7484 | |
| 473 | F | A | -0.5303 | |
| 474 | N | A | -1.4102 | |
| 475 | P | A | -0.6669 | |
| 476 | A | A | -0.4984 | |
| 477 | P | A | -0.8281 | |
| 478 | S | A | -1.0556 | |
| 479 | S | A | -1.5307 | |
| 480 | T | A | -1.8843 | |
| 481 | E | A | -2.9256 | |
| 482 | S | A | -2.6636 | |
| 483 | K | A | -3.3135 | |
| 484 | Q | A | -2.8018 | |
| 485 | H | A | -1.8823 | |
| 486 | L | A | -0.2773 | |
| 487 | S | A | -0.4591 | |
| 488 | A | A | -0.5692 | |
| 489 | T | A | -0.7839 | |
| 490 | K | A | -1.5266 | |
| 491 | I | A | 0.0000 | |
| 492 | K | A | -1.2760 | |
| 493 | A | A | -1.5081 | |
| 494 | E | A | -1.8264 | |
| 495 | L | A | 0.0000 | |
| 496 | K | A | -1.2372 | |
| 497 | S | A | -0.6095 | |
| 498 | Y | A | -0.1020 | |
| 499 | I | A | 0.0000 | |
| 500 | I | A | -0.2466 | |
| 501 | S | A | -0.5982 | |
| 502 | I | A | 0.0000 | |
| 503 | I | A | 0.0000 | |
| 504 | D | A | -1.9456 | |
| 505 | D | A | -1.4472 | |
| 506 | L | A | -0.3234 | |
| 507 | S | A | -0.8779 | |
| 508 | S | A | -0.4382 | |
| 509 | V | A | 0.5942 | |
| 510 | E | A | -1.8625 | |
| 511 | E | A | -2.5945 | |
| 512 | L | A | -1.0610 | |
| 513 | A | A | -1.4353 | |
| 514 | Q | A | -2.4636 | |
| 515 | K | A | -2.0184 | |
| 516 | E | A | -2.0305 | |
| 517 | I | A | 0.0000 | |
| 518 | P | A | -0.0746 | |
| 519 | L | A | 0.7901 | |
| 520 | R | A | 0.0453 | |
| 521 | L | A | 0.2906 | |
| 522 | T | A | 0.2016 | |
| 523 | T | A | -0.0625 | |
| 524 | F | A | 0.0000 | |
| 525 | I | A | -0.3024 | |
| 526 | R | A | -1.3000 | |
| 527 | G | A | -0.8055 | |
| 528 | M | A | 0.0000 | |
| 529 | T | A | -0.3021 | |
| 530 | L | A | -0.0739 | |
| 531 | L | A | 0.0000 | |
| 532 | K | A | -1.3105 | |
| 533 | V | A | -1.2728 | |
| 534 | E | A | -2.1839 | |
| 535 | D | A | -1.4631 | |
| 536 | I | A | 0.0000 | |
| 537 | K | A | -1.6999 | |
| 538 | S | A | -1.5106 | |
| 539 | L | A | 0.0000 | |
| 540 | Y | A | 0.0000 | |
| 541 | T | A | -1.2479 | |
| 542 | D | A | -1.9993 | |
| 543 | L | A | 0.0000 | |
| 544 | K | A | -0.8145 | |
| 545 | S | A | -0.7721 | |
| 546 | T | A | -0.5495 | |
| 547 | V | A | 0.0000 | |
| 548 | Y | A | 0.2241 | |
| 549 | S | A | -0.1057 | |
| 550 | P | A | -0.3375 | |
| 551 | A | A | -0.2791 | |
| 552 | H | A | -0.8648 | |
| 553 | S | A | -0.9927 | |
| 554 | N | A | -1.8245 | |
| 555 | Q | A | -2.2988 | |
| 556 | E | A | -2.6709 | |
| 557 | K | A | -1.8470 | |
| 558 | I | A | -1.1026 | |
| 559 | S | A | -1.2195 | |
| 560 | M | A | -0.9933 | |
| 561 | F | A | 0.0000 | |
| 562 | H | A | -0.8215 | |
| 563 | N | A | -0.8612 | |
| 564 | I | A | -0.3913 | |
| 565 | F | A | 0.0000 | |
| 566 | F | A | 0.0000 | |
| 567 | D | A | -0.8087 | |
| 568 | A | A | 0.0000 | |
| 569 | V | A | 0.0000 | |
| 570 | M | A | 0.0000 | |
| 571 | V | A | -0.2381 | |
| 572 | S | A | 0.0000 | |
| 573 | G | A | 0.0000 | |
| 574 | T | A | 0.0000 | |
| 575 | T | A | 0.0000 | |
| 576 | P | A | 0.0000 | |
| 577 | A | A | 0.0000 | |
| 578 | V | A | 0.0000 | |
| 579 | L | A | -0.2443 | |
| 580 | F | A | 0.0000 | |
| 581 | L | A | 0.0000 | |
| 582 | K | A | -0.8105 | |
| 583 | D | A | -1.5552 | |
| 584 | M | A | -1.2704 | |
| 585 | I | A | 0.0000 | |
| 586 | K | A | -1.9420 | |
| 587 | S | A | -1.6420 | |
| 588 | K | A | -2.2963 | |
| 589 | E | A | -1.6221 | |
| 590 | I | A | 0.0000 | |
| 591 | P | A | -0.3144 | |
| 592 | T | A | 0.5829 | |
| 593 | Y | A | 1.7991 | |
| 594 | Q | A | 0.0000 | |
| 595 | A | A | 0.0000 | |
| 596 | T | A | 1.5730 | |
| 597 | Y | A | 1.6898 | |
| 598 | L | A | 0.0000 | |
| 599 | L | A | 0.0000 | |
| 600 | M | A | 1.2183 | |
| 601 | L | A | 0.8715 | |
| 602 | L | A | 0.0000 | |
| 603 | P | A | 0.0000 | |
| 604 | H | A | -0.2685 | |
| 605 | H | A | -0.2134 | |
| 606 | I | A | 0.0000 | |
| 607 | I | A | 0.2840 | |
| 608 | T | A | 0.0000 | |
| 609 | P | A | 0.0000 | |
| 610 | T | A | 0.0000 | |
| 611 | K | A | -2.3270 | |
| 612 | E | A | -1.3697 | |
| 613 | V | A | 0.0000 | |
| 614 | F | A | 0.0000 | |
| 615 | T | A | -0.9594 | |
| 616 | S | A | 0.0000 | |
| 617 | L | A | 0.0000 | |
| 618 | L | A | -0.7976 | |
| 619 | E | A | -1.6824 | |
| 620 | I | A | 0.0000 | |
| 621 | I | A | 0.0000 | |
| 622 | Q | A | -1.4053 | |
| 623 | S | A | 0.0000 | |
| 624 | E | A | -1.8450 | |
| 625 | I | A | -1.0785 | |
| 626 | V | A | 0.0000 | |
| 627 | I | A | 0.3044 | |
| 628 | S | A | -0.0661 | |
| 629 | N | A | 0.2048 | |
| 630 | T | A | 0.6347 | |
| 631 | I | A | 1.8928 | |
| 632 | L | A | 0.0000 | |
| 633 | Y | A | 0.0000 | |
| 634 | N | A | 0.5165 | |
| 635 | T | A | 0.9546 | |
| 636 | A | A | 0.0000 | |
| 637 | I | A | 0.0000 | |
| 638 | L | A | 0.3628 | |
| 639 | S | A | 0.0000 | |
| 640 | M | A | 0.0000 | |
| 641 | S | A | 0.0000 | |
| 642 | N | A | -0.5226 | |
| 643 | L | A | 0.0000 | |
| 644 | V | A | 0.0000 | |
| 645 | E | A | -0.9969 | |
| 646 | K | A | -1.3385 | |
| 647 | T | A | 0.0000 | |
| 648 | C | A | 0.0000 | |
| 649 | L | A | 0.0000 | |
| 650 | D | A | -1.6790 | |
| 651 | K | A | -2.1480 | |
| 652 | S | A | -1.8145 | |
| 653 | R | A | -1.8108 | |
| 654 | Q | A | -1.8336 | |
| 655 | V | A | -0.4318 | |
| 656 | S | A | -0.4503 | |
| 657 | Y | A | 0.0000 | |
| 658 | P | A | 0.0000 | |
| 659 | T | A | -0.7464 | |
| 660 | A | A | -0.7288 | |
| 661 | V | A | -0.1543 | |
| 662 | F | A | 0.0000 | |
| 663 | G | A | -1.1608 | |
| 664 | Q | A | -1.6461 | |
| 665 | F | A | 0.0000 | |
| 666 | C | A | 0.0000 | |
| 667 | D | A | -1.5607 | |
| 668 | A | A | -1.4583 | |
| 669 | Q | A | -2.0452 | |
| 670 | S | A | -2.0838 | |
| 671 | E | A | -3.2823 | |
| 672 | I | A | -2.2165 | |
| 673 | V | A | 0.0000 | |
| 674 | T | A | -2.4079 | |
| 675 | E | A | -3.2265 | |
| 676 | K | A | -2.5567 | |
| 677 | W | A | 0.0000 | |
| 678 | I | A | 0.0000 | |
| 679 | P | A | -1.4307 | |
| 680 | Y | A | -1.0880 | |
| 681 | L | A | 0.0000 | |
| 682 | T | A | -1.2152 | |
| 683 | K | A | -2.0291 | |
| 684 | A | A | -1.1950 | |
| 685 | V | A | 0.0000 | |
| 686 | Q | A | -1.6785 | |
| 687 | T | A | -1.1478 | |
| 688 | A | A | -1.2331 | |
| 689 | P | A | -0.9596 | |
| 690 | T | A | -1.0345 | |
| 691 | A | A | -0.9020 | |
| 692 | D | A | -1.6990 | |
| 693 | R | A | 0.0000 | |
| 694 | R | A | 0.0000 | |
| 695 | N | A | -0.4335 | |
| 696 | A | A | -0.1634 | |
| 697 | I | A | 0.0000 | |
| 698 | I | A | 0.0000 | |
| 699 | M | A | 0.4052 | |
| 700 | A | A | 0.0000 | |
| 701 | L | A | 0.0000 | |
| 702 | G | A | 0.0000 | |
| 703 | A | A | -0.1615 | |
| 704 | L | A | 0.0000 | |
| 705 | K | A | -1.0638 | |
| 706 | H | A | 0.0000 | |
| 707 | K | A | -2.2051 | |
| 708 | D | A | -1.9711 | |
| 709 | I | A | 0.0000 | |
| 710 | I | A | 0.0000 | |
| 711 | P | A | -0.6327 | |
| 712 | A | A | 0.0000 | |
| 713 | L | A | 0.0000 | |
| 714 | L | A | -0.2786 | |
| 715 | P | A | -1.0237 | |
| 716 | L | A | 0.0000 | |
| 717 | V | A | 0.0000 | |
| 718 | E | A | -2.1781 | |
| 719 | G | A | -1.5669 | |
| 720 | H | A | -1.4311 | |
| 721 | G | A | -1.0444 | |
| 722 | P | A | -0.8225 | |
| 723 | I | A | -0.2083 | |
| 724 | E | A | -1.7743 | |
| 725 | Q | A | -1.8704 | |
| 726 | G | A | -1.2570 | |
| 727 | S | A | -0.6361 | |
| 728 | G | A | -0.1203 | |
| 729 | V | A | 1.2136 | |
| 730 | A | A | 0.4509 | |
| 731 | F | A | 0.0000 | |
| 732 | P | A | 0.3294 | |
| 733 | N | A | -0.7021 | |
| 734 | I | A | 1.0579 | |
| 735 | S | A | 0.0000 | |
| 736 | R | A | -0.6270 | |
| 737 | T | A | 0.0000 | |
| 738 | L | A | 0.6246 | |
| 739 | S | A | 0.0000 | |
| 740 | I | A | 0.0000 | |
| 741 | Y | A | 0.2800 | |
| 742 | A | A | 0.0000 | |
| 743 | I | A | 0.0000 | |
| 744 | G | A | 0.0000 | |
| 745 | N | A | -0.7135 | |
| 746 | V | A | 0.0000 | |
| 747 | R | A | -1.4038 | |
| 748 | V | A | -0.2335 | |
| 749 | H | A | -1.0720 | |
| 750 | H | A | -1.4199 | |
| 751 | P | A | -1.4479 | |
| 752 | E | A | -1.9198 | |
| 753 | L | A | -0.8995 | |
| 754 | V | A | 0.0000 | |
| 755 | L | A | -0.4365 | |
| 756 | P | A | -0.2657 | |
| 757 | I | A | 0.1554 | |
| 758 | I | A | 0.0000 | |
| 759 | L | A | -0.0604 | |
| 760 | S | A | -0.3279 | |
| 761 | V | A | 0.0000 | |
| 762 | Y | A | 0.0000 | |
| 763 | S | A | -0.5944 | |
| 764 | N | A | -0.9834 | |
| 765 | P | A | -1.1425 | |
| 766 | A | A | -0.5870 | |
| 767 | E | A | -1.2373 | |
| 768 | N | A | -1.4449 | |
| 769 | T | A | -1.3567 | |
| 770 | Q | A | -1.3193 | |
| 771 | L | A | 0.0000 | |
| 772 | R | A | 0.0000 | |
| 773 | I | A | -0.6643 | |
| 774 | A | A | 0.0000 | |
| 775 | A | A | 0.0000 | |
| 776 | F | A | 0.0000 | |
| 777 | N | A | -0.7202 | |
| 778 | M | A | -0.5459 | |
| 779 | L | A | 0.0000 | |
| 780 | V | A | -0.5780 | |
| 781 | N | A | -1.6412 | |
| 782 | M | A | -0.7853 | |
| 783 | N | A | -0.9125 | |
| 784 | P | A | 0.0000 | |
| 785 | P | A | -0.4644 | |
| 786 | M | A | -0.5581 | |
| 787 | N | A | -1.5443 | |
| 788 | I | A | -0.8812 | |
| 789 | I | A | 0.0000 | |
| 790 | Q | A | -1.0018 | |
| 791 | K | A | -1.4214 | |
| 792 | I | A | 0.0000 | |
| 793 | A | A | 0.0000 | |
| 794 | A | A | 0.0427 | |
| 795 | M | A | -0.1169 | |
| 796 | T | A | 0.0000 | |
| 797 | W | A | 0.6322 | |
| 798 | S | A | -0.1482 | |
| 799 | E | A | 0.0000 | |
| 800 | K | A | -1.9918 | |
| 801 | N | A | -1.9215 | |
| 802 | T | A | -1.7781 | |
| 803 | E | A | -2.5572 | |
| 804 | V | A | 0.0000 | |
| 805 | L | A | 0.0000 | |
| 806 | K | A | -2.0564 | |
| 807 | K | A | -1.3708 | |
| 808 | T | A | 0.0000 | |
| 809 | Y | A | 0.0000 | |
| 810 | T | A | -0.4579 | |
| 811 | G | A | -0.2961 | |
| 812 | F | A | 0.0000 | |
| 813 | Y | A | -0.4754 | |
| 814 | T | A | -0.4834 | |
| 815 | L | A | -0.7278 | |
| 816 | S | A | -0.8262 | |
| 817 | R | A | -2.0050 | |
| 818 | S | A | -1.3623 | |
| 819 | V | A | -1.3742 | |
| 820 | D | A | -1.5808 | |
| 821 | I | A | -0.0656 | |
| 822 | S | A | -0.4949 | |
| 823 | N | A | -1.3013 | |
| 824 | L | A | -0.1075 | |
| 825 | E | A | -1.6958 | |
| 826 | D | A | -1.7475 | |
| 827 | T | A | -1.1725 | |
| 828 | S | A | -1.2437 | |
| 829 | P | A | -1.4730 | |
| 830 | E | A | -2.2797 | |
| 831 | S | A | 0.0000 | |
| 832 | T | A | -0.8946 | |
| 833 | L | A | 0.0000 | |
| 834 | A | A | 0.0000 | |
| 835 | K | A | -0.4886 | |
| 836 | K | A | -0.4909 | |
| 837 | T | A | 0.0000 | |
| 838 | Q | A | 0.1092 | |
| 839 | L | A | 1.2555 | |
| 840 | V | A | 0.0000 | |
| 841 | V | A | 0.0000 | |
| 842 | P | A | 0.2395 | |
| 843 | L | A | 0.9081 | |
| 844 | M | A | 0.0000 | |
| 845 | R | A | -0.8987 | |
| 846 | K | A | -1.8732 | |
| 847 | T | A | -1.3961 | |
| 848 | S | A | -0.7611 | |
| 849 | G | A | -1.0069 | |
| 850 | V | A | -0.2006 | |
| 851 | L | A | 0.5087 | |
| 852 | Q | A | -0.8559 | |
| 853 | G | A | -0.7956 | |
| 854 | G | A | -0.5425 | |
| 855 | S | A | -0.4622 | |
| 856 | G | A | -0.0864 | |
| 857 | V | A | 1.0928 | |
| 858 | E | A | -0.6757 | |
| 859 | M | A | 0.1175 | |
| 860 | S | A | -0.8285 | |
| 861 | P | A | -0.9507 | |
| 862 | I | A | -0.6683 | |
| 863 | L | A | 0.0000 | |
| 864 | G | A | 0.0000 | |
| 865 | Y | A | 0.0000 | |
| 866 | W | A | -0.5170 | |
| 867 | K | A | -1.0607 | |
| 868 | I | A | 0.0000 | |
| 869 | K | A | 0.0000 | |
| 870 | G | A | 0.0000 | |
| 871 | L | A | 0.5400 | |
| 872 | V | A | 0.0000 | |
| 873 | Q | A | 0.0000 | |
| 874 | P | A | 0.0656 | |
| 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 | -1.5095 | |
| 881 | Y | A | -0.8376 | |
| 882 | L | A | -1.1613 | |
| 883 | E | A | -2.5207 | |
| 884 | E | A | -2.5029 | |
| 885 | K | A | -2.8006 | |
| 886 | Y | A | -1.7493 | |
| 887 | E | A | -1.7762 | |
| 888 | E | A | -1.3119 | |
| 889 | H | A | -0.6538 | |
| 890 | L | A | -0.5661 | |
| 891 | Y | A | 0.0000 | |
| 892 | E | A | -2.3334 | |
| 893 | R | A | -3.5025 | |
| 894 | D | A | -3.5310 | |
| 895 | E | A | -3.1608 | |
| 896 | G | A | -3.1578 | |
| 897 | D | A | -3.9699 | |
| 898 | K | A | -3.6632 | |
| 899 | W | A | 0.0000 | |
| 900 | R | A | -3.8651 | |
| 901 | N | A | -3.3501 | |
| 902 | K | A | -2.5459 | |
| 903 | K | A | -1.7219 | |
| 904 | F | A | -0.1137 | |
| 905 | E | A | -1.7004 | |
| 906 | L | A | -1.0564 | |
| 907 | G | A | -1.0920 | |
| 908 | L | A | 0.0000 | |
| 909 | E | A | -0.9815 | |
| 910 | F | A | 0.6200 | |
| 911 | P | A | -0.5692 | |
| 912 | N | A | -1.1940 | |
| 913 | L | A | -0.4114 | |
| 914 | P | A | 0.0000 | |
| 915 | Y | A | 0.0000 | |
| 916 | Y | A | 0.0000 | |
| 917 | I | A | -0.4346 | |
| 918 | D | A | -0.4169 | |
| 919 | G | A | -0.9787 | |
| 920 | D | A | -1.2582 | |
| 921 | V | A | -0.3804 | |
| 922 | K | A | -0.9002 | |
| 923 | L | A | -0.4759 | |
| 924 | T | A | -0.7293 | |
| 925 | Q | A | -0.9927 | |
| 926 | S | A | 0.0000 | |
| 927 | M | A | 0.0000 | |
| 928 | A | A | -0.5244 | |
| 929 | I | A | 0.0000 | |
| 930 | I | A | 0.0000 | |
| 931 | R | A | -1.4777 | |
| 932 | Y | A | -1.3332 | |
| 933 | I | A | 0.0000 | |
| 934 | A | A | 0.0000 | |
| 935 | D | A | -3.3181 | |
| 936 | K | A | -3.1913 | |
| 937 | H | A | -2.4617 | |
| 938 | N | A | -2.6707 | |
| 939 | M | A | 0.0000 | |
| 940 | L | A | -1.9141 | |
| 941 | G | A | -1.9324 | |
| 942 | G | A | -1.3475 | |
| 943 | C | A | -1.2827 | |
| 944 | P | A | -1.8253 | |
| 945 | K | A | -2.7197 | |
| 946 | E | A | -2.4989 | |
| 947 | R | A | -2.6482 | |
| 948 | A | A | -1.6756 | |
| 949 | E | A | -1.5086 | |
| 950 | I | A | 0.0000 | |
| 951 | S | A | -0.8618 | |
| 952 | M | A | -0.0484 | |
| 953 | L | A | 0.0000 | |
| 954 | E | A | 0.0000 | |
| 955 | G | A | -0.4984 | |
| 956 | A | A | -0.4706 | |
| 957 | V | A | 0.0000 | |
| 958 | L | A | -0.4998 | |
| 959 | D | A | -1.5597 | |
| 960 | I | A | 0.0000 | |
| 961 | R | A | 0.0000 | |
| 962 | Y | A | -0.3638 | |
| 963 | G | A | -1.0696 | |
| 964 | V | A | 0.0000 | |
| 965 | S | A | -0.5821 | |
| 966 | R | A | -1.4327 | |
| 967 | I | A | 0.0000 | |
| 968 | A | A | 0.0000 | |
| 969 | Y | A | -0.3492 | |
| 970 | S | A | -1.5267 | |
| 971 | K | A | -2.6151 | |
| 972 | D | A | -3.0098 | |
| 973 | F | A | 0.0000 | |
| 974 | E | A | -2.4888 | |
| 975 | T | A | -1.4575 | |
| 976 | L | A | -1.1873 | |
| 977 | K | A | -0.8059 | |
| 978 | V | A | 0.2882 | |
| 979 | D | A | -1.4627 | |
| 980 | F | A | 0.0000 | |
| 981 | L | A | -0.5647 | |
| 982 | S | A | -1.2825 | |
| 983 | K | A | -2.2159 | |
| 984 | L | A | 0.0000 | |
| 985 | P | A | -1.7782 | |
| 986 | E | A | -2.7570 | |
| 987 | M | A | -1.8178 | |
| 988 | L | A | 0.0000 | |
| 989 | K | A | -2.7796 | |
| 990 | M | A | -1.4962 | |
| 991 | F | A | 0.0000 | |
| 992 | E | A | -1.8445 | |
| 993 | D | A | -2.5194 | |
| 994 | R | A | -1.5990 | |
| 995 | L | A | 0.0000 | |
| 996 | C | A | -1.2453 | |
| 997 | H | A | -1.6963 | |
| 998 | K | A | -1.9460 | |
| 999 | T | A | -1.4053 | |
| 1000 | Y | A | -1.1670 | |
| 1001 | L | A | 0.0000 | |
| 1002 | N | A | -1.2850 | |
| 1003 | G | A | -1.7596 | |
| 1004 | D | A | -2.6084 | |
| 1005 | H | A | -1.9992 | |
| 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 | -0.1630 | |
| 1019 | V | A | 0.0000 | |
| 1020 | V | A | 0.0000 | |
| 1021 | L | A | 0.2924 | |
| 1022 | Y | A | 0.1129 | |
| 1023 | M | A | 0.0000 | |
| 1024 | D | A | -0.0059 | |
| 1025 | P | A | -0.0768 | |
| 1026 | M | A | 0.3871 | |
| 1027 | C | A | 0.0352 | |
| 1028 | L | A | 0.0000 | |
| 1029 | D | A | -1.3371 | |
| 1030 | A | A | -0.9016 | |
| 1031 | F | A | 0.0000 | |
| 1032 | P | A | -0.4733 | |
| 1033 | K | A | -1.2828 | |
| 1034 | L | A | 0.0000 | |
| 1035 | V | A | 0.3284 | |
| 1036 | C | A | 0.0201 | |
| 1037 | F | A | 0.0000 | |
| 1038 | K | A | -0.8498 | |
| 1039 | K | A | -1.7526 | |
| 1040 | R | A | -1.2695 | |
| 1041 | I | A | 0.0000 | |
| 1042 | E | A | -1.4924 | |
| 1043 | A | A | -1.2582 | |
| 1044 | I | A | 0.0000 | |
| 1045 | P | A | -1.0400 | |
| 1046 | Q | A | -1.4670 | |
| 1047 | I | A | 0.0000 | |
| 1048 | D | A | -2.0372 | |
| 1049 | K | A | -2.7232 | |
| 1050 | Y | A | 0.0000 | |
| 1051 | L | A | 0.0000 | |
| 1052 | K | A | -3.0327 | |
| 1053 | S | A | -1.9879 | |
| 1054 | S | A | -1.5041 | |
| 1055 | K | A | -1.9894 | |
| 1056 | Y | A | -1.1628 | |
| 1057 | I | A | 0.0000 | |
| 1058 | A | A | -0.3582 | |
| 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 | -1.4629 | |
| 1065 | Q | A | -1.4261 | |
| 1066 | A | A | 0.0000 | |
| 1067 | T | A | -0.9258 | |
| 1068 | F | A | 0.0000 | |
| 1069 | G | A | 0.0000 | |
| 1070 | G | A | -0.9462 | |
| 1071 | G | A | -1.8918 | |
| 1072 | D | A | -2.7545 | |
| 1073 | H | A | -2.2560 | |
| 1074 | P | A | -1.6837 | |
| 1075 | P | A | -1.8524 | |
| 1076 | K | A | -2.3980 | |
| 1077 | G | A | -1.6706 | |
| 1078 | G | A | -1.3325 | |
| 1079 | S | A | -0.6204 | |
| 1080 | G | A | -0.5494 | |
| 1081 | V | A | 0.3078 | |
| 1082 | E | A | -1.8454 | |
| 1083 | H | A | -2.1106 | |
| 1084 | H | A | -2.7377 | |
| 1085 | H | A | -3.1481 | |
| 1086 | H | A | -2.6955 | |
| 1087 | H | A | -2.4402 | |
| 1088 | H | A | -1.9485 |
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 | -0.7284 | 4.0107 | View | CSV | PDB |
| 4.5 | -0.7925 | 3.9106 | View | CSV | PDB |
| 5.0 | -0.8696 | 3.7465 | View | CSV | PDB |
| 5.5 | -0.9418 | 3.5444 | View | CSV | PDB |
| 6.0 | -0.9899 | 3.3429 | View | CSV | PDB |
| 6.5 | -1.0033 | 3.1794 | View | CSV | PDB |
| 7.0 | -0.9861 | 3.0839 | View | CSV | PDB |
| 7.5 | -0.951 | 3.058 | View | CSV | PDB |
| 8.0 | -0.907 | 3.0751 | View | CSV | PDB |
| 8.5 | -0.8567 | 3.1104 | View | CSV | PDB |
| 9.0 | -0.7997 | 3.1519 | 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