| Chain sequence(s) |
A: HHHHHHGGSGVEMSDQEAKPSTEDLGDKKEGEYIKLKVIGQDSSEIHFKVKMTTHLKKLKESYCQRQGVPMNSLRFLFEGQRIADNHTPKELGMEEEDVIEVYQEQTGGHSTVDNSRLWQAGKEHIFHYTGRLLSGIPGLRPHFSGIGIETEVHLQVKSLEDIRLNLRQVNYTQVNGPLSPGLPHVTSSYEGSNWRYVLLPQFTQAPIDIKKLLKVPITFAIHDGEIKTITVSGTEQKWSLNFKKALVALFQTKMETSTLDNKMNTIVKDSDSTKNYWKVSEETIEGVCDVIYQVNELPEYIVKERAHYFPHLEACTSKKFYEITKTKNIDSCKKSAVYTFMKPAVKAKKCNSFKCLSNTFGSASSMTRYYACGPRSNWILQTIVNEGEIVQRPVGVKSETITTGTRQVLKLRTIQPISSEVPKPPQPRTTEKIMYEYINAGQVSRQQIGIIPKIPQSELKSGEIYKYLPRHFNPAPSSTESKQHLSATKIKAELKSYIISIIDDLSSVEELAQKEIPLRLTTFIRGMTLLKVEDIKSLYTDLKSTVYSPAHSNQEKISMFHNIFFDAVMVSGTTPAVLFLKDMIKSKEIPTYQATYLLMLLPHHIITPTKEVFTSLLEIIQSEIVISNTILYNTAILSMSNLVEKTCLDKSRQVSYPTAVFGQFCDAQSEIVTEKWIPYLTKAVQTAPTADRRNAIIMALGALKHKDIIPALLPLVEGHGPIEQGSGVAFPNISRTLSIYAIGNVRVHHPELVLPIILSVYSNPAENTQLRIAAFNMLVNMNPPMNIIQKIAAMTWSEKNTEVLKKTYTGFYTLSRSVDISNLEDTSPESTLAKKTQLVVPLMRKTSGVLQGGSGVEMSPILGYWKIKGLVQPTRLLLEYLEEKYEEHLYERDEGDKWRNKKFELGLEFPNLPYYIDGDVKLTQSMAIIRYIADKHNMLGGCPKERAEISMLEGAVLDIRYGVSRIAYSKDFETLKVDFLSKLPEMLKMFEDRLCHKTYLNGDHVTHPDFMLYDALDVVLYMDPMCLDAFPKLVCFKKRIEAIPQIDKYLKSSKYIAWPLQGWQATFGGGDHPPKGGSGVEHHHHHH
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. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:20:39)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/17f494514a621c8/tmp/folded.pdb (00:20:39)
[INFO] Main: Simulation completed successfully. (00:27:52)
|
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 | -1.8602 | |
| 2 | H | A | -2.3611 | |
| 3 | H | A | -2.6239 | |
| 4 | H | A | -2.7147 | |
| 5 | H | A | -2.5531 | |
| 6 | H | A | -2.2827 | |
| 7 | G | A | -1.7205 | |
| 8 | G | A | -1.0840 | |
| 9 | S | A | -0.6949 | |
| 10 | G | A | -0.3440 | |
| 11 | V | A | 0.5174 | |
| 12 | E | A | -1.2195 | |
| 13 | M | A | -1.1245 | |
| 14 | S | A | -2.0109 | |
| 15 | D | A | -3.3504 | |
| 16 | Q | A | -3.3469 | |
| 17 | E | A | -3.7506 | |
| 18 | A | A | -2.6718 | |
| 19 | K | A | -2.7174 | |
| 20 | P | A | -2.0712 | |
| 21 | S | A | -1.6548 | |
| 22 | T | A | -1.4945 | |
| 23 | E | A | -2.4588 | |
| 24 | D | A | -2.3339 | |
| 25 | L | A | -0.7289 | |
| 26 | G | A | -1.9986 | |
| 27 | D | A | -3.3817 | |
| 28 | K | A | -3.8869 | |
| 29 | K | A | -4.2220 | |
| 30 | E | A | -3.7202 | |
| 31 | G | A | -2.3576 | |
| 32 | E | A | -2.3349 | |
| 33 | Y | A | -1.8475 | |
| 34 | I | A | 0.0000 | |
| 35 | K | A | -2.8466 | |
| 36 | L | A | 0.0000 | |
| 37 | K | A | -1.6829 | |
| 38 | V | A | 0.0000 | |
| 39 | I | A | -1.0122 | |
| 40 | G | A | -1.8077 | |
| 41 | Q | A | -2.4376 | |
| 42 | D | A | -2.5308 | |
| 43 | S | A | -1.7960 | |
| 44 | S | A | -1.5944 | |
| 45 | E | A | -2.0554 | |
| 46 | I | A | 0.0000 | |
| 47 | H | A | -2.4772 | |
| 48 | F | A | 0.0000 | |
| 49 | K | A | -2.6122 | |
| 50 | V | A | 0.0000 | |
| 51 | K | A | -1.4245 | |
| 52 | M | A | -1.7129 | |
| 53 | T | A | -1.1624 | |
| 54 | T | A | -1.4059 | |
| 55 | H | A | -2.4449 | |
| 56 | L | A | 0.0000 | |
| 57 | K | A | -2.7664 | |
| 58 | K | A | -3.1020 | |
| 59 | L | A | 0.0000 | |
| 60 | K | A | 0.0000 | |
| 61 | E | A | -3.1320 | |
| 62 | S | A | -2.3509 | |
| 63 | Y | A | 0.0000 | |
| 64 | C | A | 0.0000 | |
| 65 | Q | A | -2.2636 | |
| 66 | R | A | -1.7766 | |
| 67 | Q | A | -1.4606 | |
| 68 | G | A | -1.2623 | |
| 69 | V | A | -0.9443 | |
| 70 | P | A | -0.9655 | |
| 71 | M | A | -1.3451 | |
| 72 | N | A | -1.7501 | |
| 73 | S | A | 0.0000 | |
| 74 | L | A | -1.0411 | |
| 75 | R | A | -1.5700 | |
| 76 | F | A | 0.0000 | |
| 77 | L | A | -1.5697 | |
| 78 | F | A | 0.0000 | |
| 79 | E | A | -2.7507 | |
| 80 | G | A | -2.4812 | |
| 81 | Q | A | -2.6277 | |
| 82 | R | A | -2.3957 | |
| 83 | I | A | 0.0000 | |
| 84 | A | A | -1.4226 | |
| 85 | D | A | -2.2581 | |
| 86 | N | A | -2.4081 | |
| 87 | H | A | -2.1416 | |
| 88 | T | A | -2.1140 | |
| 89 | P | A | 0.0000 | |
| 90 | K | A | -3.1673 | |
| 91 | E | A | -2.9143 | |
| 92 | L | A | -1.9891 | |
| 93 | G | A | -1.9696 | |
| 94 | M | A | 0.0000 | |
| 95 | E | A | -3.4657 | |
| 96 | E | A | -3.7549 | |
| 97 | E | A | -3.5586 | |
| 98 | D | A | -2.6089 | |
| 99 | V | A | -1.2270 | |
| 100 | I | A | 0.0000 | |
| 101 | E | A | -1.7383 | |
| 102 | V | A | 0.0000 | |
| 103 | Y | A | -1.2196 | |
| 104 | Q | A | -1.8245 | |
| 105 | E | A | -1.8784 | |
| 106 | Q | A | -2.2094 | |
| 107 | T | A | -1.6593 | |
| 108 | G | A | -1.5446 | |
| 109 | G | A | -1.5181 | |
| 110 | H | A | -1.7369 | |
| 111 | S | A | -1.0832 | |
| 112 | T | A | -1.2444 | |
| 113 | V | A | -1.3831 | |
| 114 | D | A | -2.0674 | |
| 115 | N | A | -2.0569 | |
| 116 | S | A | -1.8526 | |
| 117 | R | A | -2.3681 | |
| 118 | L | A | -1.0135 | |
| 119 | W | A | 0.0000 | |
| 120 | Q | A | -1.4010 | |
| 121 | A | A | -1.1924 | |
| 122 | G | A | -1.2153 | |
| 123 | K | A | -1.1643 | |
| 124 | E | A | 0.0000 | |
| 125 | H | A | 0.0000 | |
| 126 | I | A | 0.0000 | |
| 127 | F | A | 0.0000 | |
| 128 | H | A | -1.0882 | |
| 129 | Y | A | 0.0000 | |
| 130 | T | A | -0.3733 | |
| 131 | G | A | 0.0000 | |
| 132 | R | A | 0.0530 | |
| 133 | L | A | 0.5607 | |
| 134 | L | A | 0.0000 | |
| 135 | S | A | 0.2395 | |
| 136 | G | A | -0.1513 | |
| 137 | I | A | 0.1215 | |
| 138 | P | A | -0.3074 | |
| 139 | G | A | -0.3879 | |
| 140 | L | A | 0.2469 | |
| 141 | R | A | -1.2360 | |
| 142 | P | A | -0.8576 | |
| 143 | H | A | -1.0075 | |
| 144 | F | A | 0.0000 | |
| 145 | S | A | -0.8296 | |
| 146 | G | A | -0.3351 | |
| 147 | I | A | 0.1810 | |
| 148 | G | A | 0.0000 | |
| 149 | I | A | 0.0603 | |
| 150 | E | A | -0.8067 | |
| 151 | T | A | 0.0000 | |
| 152 | E | A | -1.6422 | |
| 153 | V | A | 0.0000 | |
| 154 | H | A | 0.0000 | |
| 155 | L | A | 0.0000 | |
| 156 | Q | A | 0.0000 | |
| 157 | V | A | 0.0000 | |
| 158 | K | A | -1.9245 | |
| 159 | S | A | -1.4052 | |
| 160 | L | A | -1.3888 | |
| 161 | E | A | -2.2631 | |
| 162 | D | A | -1.6337 | |
| 163 | I | A | 0.0000 | |
| 164 | R | A | 0.0000 | |
| 165 | L | A | 0.0000 | |
| 166 | N | A | -0.8200 | |
| 167 | L | A | 0.0000 | |
| 168 | R | A | -2.1763 | |
| 169 | Q | A | -2.3878 | |
| 170 | V | A | 0.0000 | |
| 171 | N | A | -1.2733 | |
| 172 | Y | A | -0.5761 | |
| 173 | T | A | 0.0000 | |
| 174 | Q | A | -1.2233 | |
| 175 | V | A | 0.0000 | |
| 176 | N | A | -1.6729 | |
| 177 | G | A | -1.0930 | |
| 178 | P | A | -0.8912 | |
| 179 | L | A | -0.2117 | |
| 180 | S | A | 0.1259 | |
| 181 | P | A | 0.2515 | |
| 182 | G | A | 0.3650 | |
| 183 | L | A | 0.0926 | |
| 184 | P | A | -0.6439 | |
| 185 | H | A | -0.9523 | |
| 186 | V | A | -0.2285 | |
| 187 | T | A | -0.2162 | |
| 188 | S | A | -0.2244 | |
| 189 | S | A | -0.0905 | |
| 190 | Y | A | 0.0298 | |
| 191 | E | A | 0.0000 | |
| 192 | G | A | 0.0000 | |
| 193 | S | A | -0.1183 | |
| 194 | N | A | -0.1101 | |
| 195 | W | A | 0.0000 | |
| 196 | R | A | 0.0000 | |
| 197 | Y | A | 0.5024 | |
| 198 | V | A | 0.0000 | |
| 199 | L | A | 1.3808 | |
| 200 | L | A | 0.5455 | |
| 201 | P | A | -0.2016 | |
| 202 | Q | A | -0.8705 | |
| 203 | F | A | -0.4936 | |
| 204 | T | A | -0.8804 | |
| 205 | Q | A | -1.1719 | |
| 206 | A | A | 0.0000 | |
| 207 | P | A | -0.2201 | |
| 208 | I | A | 0.4633 | |
| 209 | D | A | -1.4704 | |
| 210 | I | A | -0.8822 | |
| 211 | K | A | -1.8773 | |
| 212 | K | A | -2.2853 | |
| 213 | L | A | -1.3632 | |
| 214 | L | A | 0.0000 | |
| 215 | K | A | -2.7264 | |
| 216 | V | A | -1.3633 | |
| 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 | -2.0897 | |
| 224 | D | A | -2.5648 | |
| 225 | G | A | 0.0000 | |
| 226 | E | A | -1.4223 | |
| 227 | I | A | 0.0000 | |
| 228 | K | A | -2.3709 | |
| 229 | T | A | -1.8852 | |
| 230 | I | A | 0.0000 | |
| 231 | T | A | -1.2200 | |
| 232 | V | A | 0.0000 | |
| 233 | S | A | 0.0000 | |
| 234 | G | A | -1.6348 | |
| 235 | T | A | -1.1261 | |
| 236 | E | A | -0.9799 | |
| 237 | Q | A | -0.9069 | |
| 238 | K | A | -0.2887 | |
| 239 | W | A | 0.4949 | |
| 240 | S | A | 0.0000 | |
| 241 | L | A | 0.0000 | |
| 242 | N | A | 0.1291 | |
| 243 | F | A | 0.3687 | |
| 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 | 0.0335 | |
| 250 | L | A | 0.0000 | |
| 251 | F | A | 0.0000 | |
| 252 | Q | A | 0.0000 | |
| 253 | T | A | -0.5275 | |
| 254 | K | A | -1.0626 | |
| 255 | M | A | -0.7603 | |
| 256 | E | A | -1.0464 | |
| 257 | T | A | -0.8112 | |
| 258 | S | A | -0.6198 | |
| 259 | T | A | -0.3983 | |
| 260 | L | A | -0.7117 | |
| 261 | D | A | -2.0865 | |
| 262 | N | A | 0.0000 | |
| 263 | K | A | -2.2910 | |
| 264 | M | A | -0.8900 | |
| 265 | N | A | -0.6882 | |
| 266 | T | A | 0.0000 | |
| 267 | I | A | 0.0000 | |
| 268 | V | A | -1.4528 | |
| 269 | K | A | -2.9583 | |
| 270 | D | A | -2.8814 | |
| 271 | S | A | -2.0590 | |
| 272 | D | A | -2.3988 | |
| 273 | S | A | -1.4116 | |
| 274 | T | A | -1.1983 | |
| 275 | K | A | -1.0547 | |
| 276 | N | A | 0.0000 | |
| 277 | Y | A | 0.0000 | |
| 278 | W | A | 0.0000 | |
| 279 | K | A | -1.7389 | |
| 280 | V | A | -0.7650 | |
| 281 | S | A | -0.7319 | |
| 282 | E | A | 0.0000 | |
| 283 | E | A | -1.1899 | |
| 284 | T | A | 0.0000 | |
| 285 | I | A | 0.2811 | |
| 286 | E | A | -0.1303 | |
| 287 | G | A | 0.0000 | |
| 288 | V | A | -1.0089 | |
| 289 | C | A | 0.0000 | |
| 290 | D | A | -1.2837 | |
| 291 | V | A | 0.0000 | |
| 292 | I | A | 0.0000 | |
| 293 | Y | A | 0.0000 | |
| 294 | Q | A | 0.0000 | |
| 295 | V | A | 0.0000 | |
| 296 | N | A | 0.0000 | |
| 297 | E | A | 0.0000 | |
| 298 | L | A | 0.0000 | |
| 299 | P | A | -0.8168 | |
| 300 | E | A | -2.0792 | |
| 301 | Y | A | -0.6166 | |
| 302 | I | A | 0.0000 | |
| 303 | V | A | 0.0000 | |
| 304 | K | A | -2.6650 | |
| 305 | E | A | -2.8560 | |
| 306 | R | A | 0.0000 | |
| 307 | A | A | -1.5521 | |
| 308 | H | A | -1.4156 | |
| 309 | Y | A | -0.7644 | |
| 310 | F | A | 0.0000 | |
| 311 | P | A | -1.0340 | |
| 312 | H | A | -1.0711 | |
| 313 | L | A | -1.0077 | |
| 314 | E | A | -1.8504 | |
| 315 | A | A | -0.9138 | |
| 316 | C | A | 0.0000 | |
| 317 | T | A | -1.0442 | |
| 318 | S | A | -0.9934 | |
| 319 | K | A | -1.5969 | |
| 320 | K | A | -1.9615 | |
| 321 | F | A | -0.7273 | |
| 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 | 0.0000 | |
| 328 | K | A | 0.0000 | |
| 329 | N | A | -0.5290 | |
| 330 | I | A | -0.4105 | |
| 331 | D | A | -0.9692 | |
| 332 | S | A | -1.2087 | |
| 333 | C | A | -1.4370 | |
| 334 | K | A | -2.4969 | |
| 335 | K | A | -2.2097 | |
| 336 | S | A | -0.4834 | |
| 337 | A | A | 0.0000 | |
| 338 | V | A | 1.8581 | |
| 339 | Y | A | 2.3760 | |
| 340 | T | A | 2.1463 | |
| 341 | F | A | 2.0970 | |
| 342 | M | A | 0.6114 | |
| 343 | K | A | -0.6988 | |
| 344 | P | A | -0.3619 | |
| 345 | A | A | 0.6020 | |
| 346 | V | A | 0.7974 | |
| 347 | K | A | -1.5220 | |
| 348 | A | A | -1.7840 | |
| 349 | K | A | -2.9763 | |
| 350 | K | A | -2.7732 | |
| 351 | C | A | -1.0598 | |
| 352 | N | A | 0.1424 | |
| 353 | S | A | 0.9498 | |
| 354 | F | A | 1.3189 | |
| 355 | K | A | -0.8296 | |
| 356 | C | A | -0.0757 | |
| 357 | L | A | 0.2309 | |
| 358 | S | A | -0.2099 | |
| 359 | N | A | -0.6645 | |
| 360 | T | A | -0.3343 | |
| 361 | F | A | 0.0000 | |
| 362 | G | A | 0.0000 | |
| 363 | S | A | -0.0862 | |
| 364 | A | A | 0.3381 | |
| 365 | S | A | 0.1711 | |
| 366 | S | A | 0.0068 | |
| 367 | M | A | 0.0000 | |
| 368 | T | A | 0.0000 | |
| 369 | R | A | 0.0000 | |
| 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 | -1.1225 | |
| 376 | R | A | -0.9581 | |
| 377 | S | A | -1.1898 | |
| 378 | N | A | -1.3307 | |
| 379 | W | A | -0.5556 | |
| 380 | I | A | 0.0578 | |
| 381 | L | A | 0.2885 | |
| 382 | Q | A | 0.0000 | |
| 383 | T | A | 0.0000 | |
| 384 | I | A | 0.0000 | |
| 385 | V | A | 0.0000 | |
| 386 | N | A | -0.3358 | |
| 387 | E | A | -0.4359 | |
| 388 | G | A | 0.0000 | |
| 389 | E | A | 0.0000 | |
| 390 | I | A | 1.2164 | |
| 391 | V | A | 0.0000 | |
| 392 | Q | A | 0.2991 | |
| 393 | R | A | 0.0000 | |
| 394 | P | A | 0.2762 | |
| 395 | V | A | 1.1395 | |
| 396 | G | A | 0.0000 | |
| 397 | V | A | -0.3711 | |
| 398 | K | A | -1.6854 | |
| 399 | S | A | -0.9730 | |
| 400 | E | A | -1.2875 | |
| 401 | T | A | -0.2305 | |
| 402 | I | A | 0.4071 | |
| 403 | T | A | 0.0000 | |
| 404 | T | A | 0.6526 | |
| 405 | G | A | 0.0000 | |
| 406 | T | A | 0.1483 | |
| 407 | R | A | -0.3330 | |
| 408 | Q | A | -0.3089 | |
| 409 | V | A | -0.2245 | |
| 410 | L | A | 0.0000 | |
| 411 | K | A | -1.1849 | |
| 412 | L | A | 0.0000 | |
| 413 | R | A | -2.0377 | |
| 414 | T | A | -0.7539 | |
| 415 | I | A | 0.0088 | |
| 416 | Q | A | -0.6392 | |
| 417 | P | A | -0.6395 | |
| 418 | I | A | -0.8264 | |
| 419 | S | A | -0.8345 | |
| 420 | S | A | -1.1548 | |
| 421 | E | A | -2.2894 | |
| 422 | V | A | 0.0000 | |
| 423 | P | A | -1.6074 | |
| 424 | K | A | -2.3033 | |
| 425 | P | A | 0.0000 | |
| 426 | P | A | -1.5707 | |
| 427 | Q | A | -2.1054 | |
| 428 | P | A | -1.9626 | |
| 429 | R | A | -1.7806 | |
| 430 | T | A | -1.3032 | |
| 431 | T | A | -1.7206 | |
| 432 | E | A | -2.7229 | |
| 433 | K | A | -2.1814 | |
| 434 | I | A | 0.0000 | |
| 435 | M | A | -0.4009 | |
| 436 | Y | A | 0.4401 | |
| 437 | E | A | 0.4099 | |
| 438 | Y | A | 1.4879 | |
| 439 | I | A | 1.5851 | |
| 440 | N | A | -0.2034 | |
| 441 | A | A | -0.0461 | |
| 442 | G | A | -0.6620 | |
| 443 | Q | A | -1.1233 | |
| 444 | V | A | 0.1579 | |
| 445 | S | A | -1.2483 | |
| 446 | R | A | -2.2992 | |
| 447 | Q | A | -1.9669 | |
| 448 | Q | A | -1.2116 | |
| 449 | I | A | 1.2282 | |
| 450 | G | A | 1.2971 | |
| 451 | I | A | 2.5158 | |
| 452 | I | A | 2.5181 | |
| 453 | P | A | 0.8146 | |
| 454 | K | A | -0.2973 | |
| 455 | I | A | 0.8686 | |
| 456 | P | A | -0.8243 | |
| 457 | Q | A | -1.6160 | |
| 458 | S | A | -1.6227 | |
| 459 | E | A | -1.9122 | |
| 460 | L | A | -0.4460 | |
| 461 | K | A | -2.2038 | |
| 462 | S | A | -1.7892 | |
| 463 | G | A | -1.0328 | |
| 464 | E | A | -1.0603 | |
| 465 | I | A | 1.2102 | |
| 466 | Y | A | 1.2969 | |
| 467 | K | A | 0.0922 | |
| 468 | Y | A | 1.3754 | |
| 469 | L | A | 0.4076 | |
| 470 | P | A | -0.2006 | |
| 471 | R | A | -1.6081 | |
| 472 | H | A | -1.3732 | |
| 473 | F | A | 0.2133 | |
| 474 | N | A | -1.1341 | |
| 475 | P | A | -0.7867 | |
| 476 | A | A | -0.5342 | |
| 477 | P | A | -0.9173 | |
| 478 | S | A | -0.8019 | |
| 479 | S | A | -1.0594 | |
| 480 | T | A | -1.4509 | |
| 481 | E | A | -2.6822 | |
| 482 | S | A | -2.5003 | |
| 483 | K | A | -2.9177 | |
| 484 | Q | A | -2.4222 | |
| 485 | H | A | -1.5883 | |
| 486 | L | A | 0.0501 | |
| 487 | S | A | -0.5054 | |
| 488 | A | A | -0.5291 | |
| 489 | T | A | -1.0137 | |
| 490 | K | A | -1.9865 | |
| 491 | I | A | 0.0000 | |
| 492 | K | A | -1.5164 | |
| 493 | A | A | -1.7510 | |
| 494 | E | A | -2.1173 | |
| 495 | L | A | 0.0000 | |
| 496 | K | A | -1.3539 | |
| 497 | S | A | -0.7047 | |
| 498 | Y | A | -0.2911 | |
| 499 | I | A | 0.0000 | |
| 500 | I | A | -0.2742 | |
| 501 | S | A | -0.6144 | |
| 502 | I | A | 0.0000 | |
| 503 | I | A | 0.0000 | |
| 504 | D | A | -1.8891 | |
| 505 | D | A | -1.2722 | |
| 506 | L | A | -0.0463 | |
| 507 | S | A | -0.7608 | |
| 508 | S | A | -0.3520 | |
| 509 | V | A | 0.6589 | |
| 510 | E | A | -1.7847 | |
| 511 | E | A | -2.5071 | |
| 512 | L | A | -0.8438 | |
| 513 | A | A | -1.2883 | |
| 514 | Q | A | -2.3446 | |
| 515 | K | A | -1.8689 | |
| 516 | E | A | -1.8691 | |
| 517 | I | A | 0.0000 | |
| 518 | P | A | -0.1412 | |
| 519 | L | A | 0.6836 | |
| 520 | R | A | -0.2821 | |
| 521 | L | A | 0.0800 | |
| 522 | T | A | 0.1049 | |
| 523 | T | A | -0.1787 | |
| 524 | F | A | 0.0000 | |
| 525 | I | A | -0.1433 | |
| 526 | R | A | -1.0227 | |
| 527 | G | A | -0.4544 | |
| 528 | M | A | 0.0000 | |
| 529 | T | A | 0.1052 | |
| 530 | L | A | 0.8499 | |
| 531 | L | A | 0.0000 | |
| 532 | K | A | -2.0125 | |
| 533 | V | A | -1.7382 | |
| 534 | E | A | -2.5664 | |
| 535 | D | A | -1.7793 | |
| 536 | I | A | 0.0000 | |
| 537 | K | A | -1.8315 | |
| 538 | S | A | -1.6170 | |
| 539 | L | A | 0.0000 | |
| 540 | Y | A | 0.0000 | |
| 541 | T | A | -1.2326 | |
| 542 | D | A | -1.9786 | |
| 543 | L | A | 0.0000 | |
| 544 | K | A | -0.8008 | |
| 545 | S | A | -0.7699 | |
| 546 | T | A | -0.5568 | |
| 547 | V | A | 0.0000 | |
| 548 | Y | A | 0.2253 | |
| 549 | S | A | -0.1107 | |
| 550 | P | A | -0.3371 | |
| 551 | A | A | -0.2927 | |
| 552 | H | A | -0.8868 | |
| 553 | S | A | -0.9762 | |
| 554 | N | A | -1.7955 | |
| 555 | Q | A | -2.2886 | |
| 556 | E | A | -2.6479 | |
| 557 | K | A | -1.8322 | |
| 558 | I | A | -1.0715 | |
| 559 | S | A | -1.1940 | |
| 560 | M | A | -0.9632 | |
| 561 | F | A | 0.0000 | |
| 562 | H | A | -0.6322 | |
| 563 | N | A | -0.8774 | |
| 564 | I | A | -0.3961 | |
| 565 | F | A | 0.0000 | |
| 566 | F | A | 0.0000 | |
| 567 | D | A | -0.7302 | |
| 568 | A | A | 0.0000 | |
| 569 | V | A | 0.0000 | |
| 570 | M | A | 0.0000 | |
| 571 | V | A | -0.0653 | |
| 572 | S | A | 0.0000 | |
| 573 | G | A | 0.0000 | |
| 574 | T | A | 0.0000 | |
| 575 | T | A | -0.4671 | |
| 576 | P | A | -0.7417 | |
| 577 | A | A | 0.0000 | |
| 578 | V | A | 0.0000 | |
| 579 | L | A | -0.4960 | |
| 580 | F | A | 0.0000 | |
| 581 | L | A | 0.0000 | |
| 582 | K | A | -0.9104 | |
| 583 | D | A | -1.5909 | |
| 584 | M | A | -1.2973 | |
| 585 | I | A | 0.0000 | |
| 586 | K | A | -2.2140 | |
| 587 | S | A | -1.7453 | |
| 588 | K | A | -2.3665 | |
| 589 | E | A | -1.5907 | |
| 590 | I | A | 0.0000 | |
| 591 | P | A | -0.2388 | |
| 592 | T | A | 0.5491 | |
| 593 | Y | A | 1.7922 | |
| 594 | Q | A | 0.0000 | |
| 595 | A | A | 0.0000 | |
| 596 | T | A | 1.5336 | |
| 597 | Y | A | 1.7011 | |
| 598 | L | A | 0.0000 | |
| 599 | L | A | 0.0000 | |
| 600 | M | A | 1.1524 | |
| 601 | L | A | 0.7783 | |
| 602 | L | A | 0.0000 | |
| 603 | P | A | -0.3691 | |
| 604 | H | A | -0.8909 | |
| 605 | H | A | -0.3868 | |
| 606 | I | A | 0.0000 | |
| 607 | I | A | 0.5944 | |
| 608 | T | A | 0.3526 | |
| 609 | P | A | 0.0000 | |
| 610 | T | A | -0.9421 | |
| 611 | K | A | -2.3734 | |
| 612 | E | A | -1.7675 | |
| 613 | V | A | 0.0000 | |
| 614 | F | A | 0.0000 | |
| 615 | T | A | -1.2489 | |
| 616 | S | A | 0.0000 | |
| 617 | L | A | 0.0000 | |
| 618 | L | A | -1.0025 | |
| 619 | E | A | -2.0078 | |
| 620 | I | A | 0.0000 | |
| 621 | I | A | 0.0000 | |
| 622 | Q | A | -1.8562 | |
| 623 | S | A | 0.0000 | |
| 624 | E | A | -2.2202 | |
| 625 | I | A | 0.0000 | |
| 626 | V | A | 0.0000 | |
| 627 | I | A | -0.2497 | |
| 628 | S | A | -0.3362 | |
| 629 | N | A | 0.0402 | |
| 630 | T | A | 0.4922 | |
| 631 | I | A | 1.8144 | |
| 632 | L | A | 0.0000 | |
| 633 | Y | A | 0.0000 | |
| 634 | N | A | 0.4063 | |
| 635 | T | A | 0.9502 | |
| 636 | A | A | 0.0000 | |
| 637 | I | A | 0.0000 | |
| 638 | L | A | 0.2933 | |
| 639 | S | A | 0.0000 | |
| 640 | M | A | 0.0000 | |
| 641 | S | A | 0.0000 | |
| 642 | N | A | -0.9641 | |
| 643 | L | A | 0.0000 | |
| 644 | V | A | 0.0000 | |
| 645 | E | A | -1.2780 | |
| 646 | K | A | -1.7057 | |
| 647 | T | A | 0.0000 | |
| 648 | C | A | 0.0000 | |
| 649 | L | A | 0.0000 | |
| 650 | D | A | -1.8353 | |
| 651 | K | A | -2.0440 | |
| 652 | S | A | -1.1375 | |
| 653 | R | A | -1.5514 | |
| 654 | Q | A | -1.3868 | |
| 655 | V | A | 0.9172 | |
| 656 | S | A | -0.0073 | |
| 657 | Y | A | 0.5304 | |
| 658 | P | A | 0.8965 | |
| 659 | T | A | 0.0000 | |
| 660 | A | A | 1.1908 | |
| 661 | V | A | 2.5006 | |
| 662 | F | A | 2.4435 | |
| 663 | G | A | 0.5220 | |
| 664 | Q | A | -0.9907 | |
| 665 | F | A | -0.7272 | |
| 666 | C | A | 0.0000 | |
| 667 | D | A | -1.8356 | |
| 668 | A | A | -1.5627 | |
| 669 | Q | A | -2.1180 | |
| 670 | S | A | -2.1768 | |
| 671 | E | A | -3.4180 | |
| 672 | I | A | 0.0000 | |
| 673 | V | A | 0.0000 | |
| 674 | T | A | -2.4898 | |
| 675 | E | A | -3.2970 | |
| 676 | K | A | -2.6556 | |
| 677 | W | A | 0.0000 | |
| 678 | I | A | 0.0000 | |
| 679 | P | A | -1.4596 | |
| 680 | Y | A | -1.0272 | |
| 681 | L | A | 0.0000 | |
| 682 | T | A | -1.2296 | |
| 683 | K | A | -2.0465 | |
| 684 | A | A | -1.2123 | |
| 685 | V | A | 0.0000 | |
| 686 | Q | A | -1.7314 | |
| 687 | T | A | -1.1448 | |
| 688 | A | A | -1.0189 | |
| 689 | P | A | -0.6716 | |
| 690 | T | A | -0.7344 | |
| 691 | A | A | -0.7758 | |
| 692 | D | A | -1.6710 | |
| 693 | R | A | 0.0000 | |
| 694 | R | A | 0.0000 | |
| 695 | N | A | -0.4755 | |
| 696 | A | A | -0.1850 | |
| 697 | I | A | 0.0000 | |
| 698 | I | A | 0.0000 | |
| 699 | M | A | 0.4134 | |
| 700 | A | A | 0.0000 | |
| 701 | L | A | 0.0000 | |
| 702 | G | A | 0.0000 | |
| 703 | A | A | -0.2508 | |
| 704 | L | A | 0.0000 | |
| 705 | K | A | -0.9463 | |
| 706 | H | A | 0.0000 | |
| 707 | K | A | -2.1718 | |
| 708 | D | A | -1.9844 | |
| 709 | I | A | 0.0000 | |
| 710 | I | A | 0.0000 | |
| 711 | P | A | -1.2549 | |
| 712 | A | A | -0.7677 | |
| 713 | L | A | 0.0000 | |
| 714 | L | A | 0.0000 | |
| 715 | P | A | -0.7619 | |
| 716 | L | A | 0.0000 | |
| 717 | V | A | 0.0000 | |
| 718 | E | A | 0.0000 | |
| 719 | G | A | -0.6469 | |
| 720 | H | A | -0.6793 | |
| 721 | G | A | -0.7248 | |
| 722 | P | A | -0.9193 | |
| 723 | I | A | -0.4964 | |
| 724 | E | A | -1.9388 | |
| 725 | Q | A | -1.9799 | |
| 726 | G | A | -1.3292 | |
| 727 | S | A | -0.7314 | |
| 728 | G | A | -0.1853 | |
| 729 | V | A | 1.1760 | |
| 730 | A | A | 0.4263 | |
| 731 | F | A | 0.0000 | |
| 732 | P | A | 0.1201 | |
| 733 | N | A | -0.8891 | |
| 734 | I | A | 0.7281 | |
| 735 | S | A | 0.0000 | |
| 736 | R | A | -0.3817 | |
| 737 | T | A | 0.0000 | |
| 738 | L | A | 0.5561 | |
| 739 | S | A | 0.0000 | |
| 740 | I | A | 0.0000 | |
| 741 | Y | A | 0.3929 | |
| 742 | A | A | 0.0000 | |
| 743 | I | A | 0.0000 | |
| 744 | G | A | 0.0000 | |
| 745 | N | A | -0.4600 | |
| 746 | V | A | 0.0000 | |
| 747 | R | A | -0.7941 | |
| 748 | V | A | 0.4029 | |
| 749 | H | A | -0.8591 | |
| 750 | H | A | -1.2177 | |
| 751 | P | A | -1.1604 | |
| 752 | E | A | -1.9110 | |
| 753 | L | A | -0.9780 | |
| 754 | V | A | 0.0000 | |
| 755 | L | A | -0.3979 | |
| 756 | P | A | -0.2301 | |
| 757 | I | A | 0.0000 | |
| 758 | I | A | 0.0000 | |
| 759 | L | A | 0.0000 | |
| 760 | S | A | 0.0013 | |
| 761 | V | A | 0.0000 | |
| 762 | Y | A | 0.0000 | |
| 763 | S | A | 0.0000 | |
| 764 | N | A | 0.0000 | |
| 765 | P | A | -0.4530 | |
| 766 | A | A | -0.2171 | |
| 767 | E | A | 0.0000 | |
| 768 | N | A | -1.1257 | |
| 769 | T | A | -1.2252 | |
| 770 | Q | A | -1.1464 | |
| 771 | L | A | 0.0000 | |
| 772 | R | A | 0.0000 | |
| 773 | I | A | -0.6796 | |
| 774 | A | A | 0.0000 | |
| 775 | A | A | 0.0000 | |
| 776 | F | A | 0.0000 | |
| 777 | N | A | -0.6879 | |
| 778 | M | A | 0.0000 | |
| 779 | L | A | 0.0000 | |
| 780 | V | A | -0.6079 | |
| 781 | N | A | -1.6341 | |
| 782 | M | A | -0.6148 | |
| 783 | N | A | -0.9943 | |
| 784 | P | A | 0.0000 | |
| 785 | P | A | -0.3021 | |
| 786 | M | A | 0.0000 | |
| 787 | N | A | 0.0000 | |
| 788 | I | A | 0.0000 | |
| 789 | I | A | 0.0000 | |
| 790 | Q | A | 0.0000 | |
| 791 | K | A | 0.0000 | |
| 792 | I | A | 0.0000 | |
| 793 | A | A | 0.0000 | |
| 794 | A | A | -0.0859 | |
| 795 | M | A | 0.0000 | |
| 796 | T | A | 0.0000 | |
| 797 | W | A | 0.0000 | |
| 798 | S | A | -0.4959 | |
| 799 | E | A | 0.0000 | |
| 800 | K | A | -2.1420 | |
| 801 | N | A | -1.7343 | |
| 802 | T | A | -1.6951 | |
| 803 | E | A | -2.4497 | |
| 804 | V | A | 0.0000 | |
| 805 | L | A | 0.0000 | |
| 806 | K | A | -1.4868 | |
| 807 | K | A | -0.9601 | |
| 808 | T | A | 0.0000 | |
| 809 | Y | A | 0.0000 | |
| 810 | T | A | 0.0000 | |
| 811 | G | A | -0.0399 | |
| 812 | F | A | 0.0000 | |
| 813 | Y | A | -0.5285 | |
| 814 | T | A | -0.7300 | |
| 815 | L | A | -0.6672 | |
| 816 | S | A | 0.0000 | |
| 817 | R | A | -2.1801 | |
| 818 | S | A | -1.4905 | |
| 819 | V | A | -1.6303 | |
| 820 | D | A | -2.3993 | |
| 821 | I | A | 0.0000 | |
| 822 | S | A | -1.7748 | |
| 823 | N | A | -2.3135 | |
| 824 | L | A | -1.8143 | |
| 825 | E | A | -2.6642 | |
| 826 | D | A | -2.3285 | |
| 827 | T | A | -1.3756 | |
| 828 | S | A | -1.2384 | |
| 829 | P | A | -1.4838 | |
| 830 | E | A | -2.2126 | |
| 831 | S | A | 0.0000 | |
| 832 | T | A | -1.0045 | |
| 833 | L | A | 0.0000 | |
| 834 | A | A | 0.0000 | |
| 835 | K | A | -1.0971 | |
| 836 | K | A | -0.6738 | |
| 837 | T | A | 0.0000 | |
| 838 | Q | A | -0.5716 | |
| 839 | L | A | 0.0000 | |
| 840 | V | A | 0.0000 | |
| 841 | V | A | -0.1106 | |
| 842 | P | A | -0.5444 | |
| 843 | L | A | 0.0000 | |
| 844 | M | A | 0.0000 | |
| 845 | R | A | -0.8155 | |
| 846 | K | A | -1.1884 | |
| 847 | T | A | -1.0426 | |
| 848 | S | A | -0.4272 | |
| 849 | G | A | -0.5745 | |
| 850 | V | A | -0.0249 | |
| 851 | L | A | 0.3124 | |
| 852 | Q | A | -0.9651 | |
| 853 | G | A | -1.2384 | |
| 854 | G | A | -0.8770 | |
| 855 | S | A | -0.4189 | |
| 856 | G | A | -0.3400 | |
| 857 | V | A | 0.5640 | |
| 858 | E | A | -1.2370 | |
| 859 | M | A | -0.3938 | |
| 860 | S | A | -1.1713 | |
| 861 | P | A | -1.2013 | |
| 862 | I | A | -0.8286 | |
| 863 | L | A | 0.0000 | |
| 864 | G | A | 0.0000 | |
| 865 | Y | A | 0.0000 | |
| 866 | W | A | -0.7162 | |
| 867 | K | A | -1.1931 | |
| 868 | I | A | 0.0000 | |
| 869 | K | A | 0.0000 | |
| 870 | G | A | 0.0000 | |
| 871 | L | A | 0.5307 | |
| 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 | -1.5068 | |
| 881 | Y | A | -0.8448 | |
| 882 | L | A | -1.1799 | |
| 883 | E | A | -2.5525 | |
| 884 | E | A | -2.5673 | |
| 885 | K | A | -2.7088 | |
| 886 | Y | A | -1.9280 | |
| 887 | E | A | -1.9802 | |
| 888 | E | A | -1.3721 | |
| 889 | H | A | -0.8477 | |
| 890 | L | A | -0.8160 | |
| 891 | Y | A | 0.0000 | |
| 892 | E | A | -3.0159 | |
| 893 | R | A | -3.8401 | |
| 894 | D | A | -3.7106 | |
| 895 | E | A | -3.3069 | |
| 896 | G | A | -3.1858 | |
| 897 | D | A | -3.8827 | |
| 898 | K | A | -3.5548 | |
| 899 | W | A | 0.0000 | |
| 900 | R | A | -3.8649 | |
| 901 | N | A | -3.3785 | |
| 902 | K | A | -2.7051 | |
| 903 | K | A | -1.8159 | |
| 904 | F | A | -0.1830 | |
| 905 | E | A | -1.7597 | |
| 906 | L | A | -1.0787 | |
| 907 | G | A | -1.1006 | |
| 908 | L | A | 0.0000 | |
| 909 | E | A | -0.9716 | |
| 910 | F | A | 0.6203 | |
| 911 | P | A | -0.4046 | |
| 912 | N | A | -1.1926 | |
| 913 | L | A | -0.3996 | |
| 914 | P | A | 0.0000 | |
| 915 | Y | A | 0.0000 | |
| 916 | Y | A | 0.0000 | |
| 917 | I | A | 0.0000 | |
| 918 | D | A | -1.1075 | |
| 919 | G | A | -1.1130 | |
| 920 | D | A | -2.0502 | |
| 921 | V | A | -0.9482 | |
| 922 | K | A | -1.1666 | |
| 923 | L | A | -0.6163 | |
| 924 | T | A | -0.7147 | |
| 925 | Q | A | -0.9611 | |
| 926 | S | A | 0.0000 | |
| 927 | M | A | -0.3697 | |
| 928 | A | A | -0.5256 | |
| 929 | I | A | 0.0000 | |
| 930 | I | A | 0.0000 | |
| 931 | R | A | -1.6020 | |
| 932 | Y | A | -1.4018 | |
| 933 | I | A | 0.0000 | |
| 934 | A | A | 0.0000 | |
| 935 | D | A | -3.3516 | |
| 936 | K | A | -3.1845 | |
| 937 | H | A | -2.3975 | |
| 938 | N | A | -2.6396 | |
| 939 | M | A | 0.0000 | |
| 940 | L | A | -1.8788 | |
| 941 | G | A | -1.8766 | |
| 942 | G | A | -1.2814 | |
| 943 | C | A | -1.2614 | |
| 944 | P | A | -1.7969 | |
| 945 | K | A | -2.8168 | |
| 946 | E | A | -2.5690 | |
| 947 | R | A | -2.3921 | |
| 948 | A | A | -1.7625 | |
| 949 | E | A | -2.0069 | |
| 950 | I | A | 0.0000 | |
| 951 | S | A | -0.9019 | |
| 952 | M | A | -0.1393 | |
| 953 | L | A | 0.0000 | |
| 954 | E | A | 0.0000 | |
| 955 | G | A | -0.5125 | |
| 956 | A | A | -0.4090 | |
| 957 | V | A | 0.0000 | |
| 958 | L | A | -0.4713 | |
| 959 | D | A | -1.5239 | |
| 960 | I | A | 0.0000 | |
| 961 | R | A | 0.0000 | |
| 962 | Y | A | -0.3556 | |
| 963 | G | A | -1.0533 | |
| 964 | V | A | 0.0000 | |
| 965 | S | A | -0.5970 | |
| 966 | R | A | -1.4465 | |
| 967 | I | A | 0.0000 | |
| 968 | A | A | 0.0000 | |
| 969 | Y | A | -0.3866 | |
| 970 | S | A | -1.5613 | |
| 971 | K | A | -2.6352 | |
| 972 | D | A | -3.0311 | |
| 973 | F | A | 0.0000 | |
| 974 | E | A | -2.4862 | |
| 975 | T | A | -1.4644 | |
| 976 | L | A | -1.2060 | |
| 977 | K | A | -0.7460 | |
| 978 | V | A | 0.3163 | |
| 979 | D | A | -1.4240 | |
| 980 | F | A | -0.8382 | |
| 981 | L | A | -0.5015 | |
| 982 | S | A | -1.2701 | |
| 983 | K | A | -2.3310 | |
| 984 | L | A | 0.0000 | |
| 985 | P | A | -1.6494 | |
| 986 | E | A | -2.5779 | |
| 987 | M | A | -1.6051 | |
| 988 | L | A | 0.0000 | |
| 989 | K | A | -2.0758 | |
| 990 | M | A | -1.1226 | |
| 991 | F | A | 0.0000 | |
| 992 | E | A | 0.0000 | |
| 993 | D | A | -1.9930 | |
| 994 | R | A | -1.3449 | |
| 995 | L | A | 0.0000 | |
| 996 | C | A | -1.0585 | |
| 997 | H | A | -1.6205 | |
| 998 | K | A | -1.8571 | |
| 999 | T | A | -1.3685 | |
| 1000 | Y | A | -1.1569 | |
| 1001 | L | A | 0.0000 | |
| 1002 | N | A | -1.3993 | |
| 1003 | G | A | -1.7512 | |
| 1004 | D | A | -2.5990 | |
| 1005 | H | A | -1.9979 | |
| 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 | -0.0469 | |
| 1019 | V | A | 0.0000 | |
| 1020 | V | A | 0.0000 | |
| 1021 | L | A | 0.1286 | |
| 1022 | Y | A | -0.0430 | |
| 1023 | M | A | 0.0000 | |
| 1024 | D | A | -0.0255 | |
| 1025 | P | A | -0.1715 | |
| 1026 | M | A | 0.3576 | |
| 1027 | C | A | -0.0035 | |
| 1028 | L | A | 0.0000 | |
| 1029 | D | A | -1.4592 | |
| 1030 | A | A | -0.8812 | |
| 1031 | F | A | 0.0000 | |
| 1032 | P | A | -0.6435 | |
| 1033 | K | A | -1.1999 | |
| 1034 | L | A | 0.0000 | |
| 1035 | V | A | -0.4395 | |
| 1036 | C | A | -0.3987 | |
| 1037 | F | A | 0.0000 | |
| 1038 | K | A | -1.1227 | |
| 1039 | K | A | -1.9594 | |
| 1040 | R | A | -1.4053 | |
| 1041 | I | A | 0.0000 | |
| 1042 | E | A | -1.5360 | |
| 1043 | A | A | -1.2770 | |
| 1044 | I | A | 0.0000 | |
| 1045 | P | A | -1.0583 | |
| 1046 | Q | A | -1.4540 | |
| 1047 | I | A | 0.0000 | |
| 1048 | D | A | -2.0638 | |
| 1049 | K | A | -2.6761 | |
| 1050 | Y | A | 0.0000 | |
| 1051 | L | A | -1.6472 | |
| 1052 | K | A | -2.6998 | |
| 1053 | S | A | -1.9066 | |
| 1054 | S | A | -1.4429 | |
| 1055 | K | A | -1.8939 | |
| 1056 | Y | A | -1.0450 | |
| 1057 | I | A | -0.2042 | |
| 1058 | A | A | 0.0175 | |
| 1059 | W | A | -0.5026 | |
| 1060 | P | A | 0.0000 | |
| 1061 | L | A | 0.0000 | |
| 1062 | Q | A | 0.0000 | |
| 1063 | G | A | 0.0000 | |
| 1064 | W | A | -1.5180 | |
| 1065 | Q | A | -1.4411 | |
| 1066 | A | A | 0.0000 | |
| 1067 | T | A | -0.9334 | |
| 1068 | F | A | 0.0000 | |
| 1069 | G | A | 0.0000 | |
| 1070 | G | A | -0.9136 | |
| 1071 | G | A | -1.8272 | |
| 1072 | D | A | -2.6531 | |
| 1073 | H | A | -2.0643 | |
| 1074 | P | A | -1.5905 | |
| 1075 | P | A | -1.7812 | |
| 1076 | K | A | -2.3405 | |
| 1077 | G | A | -1.5996 | |
| 1078 | G | A | -1.0515 | |
| 1079 | S | A | -0.6419 | |
| 1080 | G | A | -0.8098 | |
| 1081 | V | A | 0.0977 | |
| 1082 | E | A | -2.1032 | |
| 1083 | H | A | -2.5803 | |
| 1084 | H | A | -2.7837 | |
| 1085 | H | A | -3.0214 | |
| 1086 | H | A | -2.7680 | |
| 1087 | H | A | -2.4234 | |
| 1088 | H | A | -1.9402 |
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 | -0.6898 | 5.1968 | View | CSV | PDB |
| 4.5 | -0.7552 | 5.1968 | View | CSV | PDB |
| 5.0 | -0.833 | 5.1968 | View | CSV | PDB |
| 5.5 | -0.9047 | 5.1968 | View | CSV | PDB |
| 6.0 | -0.9512 | 5.1968 | View | CSV | PDB |
| 6.5 | -0.9625 | 5.1968 | View | CSV | PDB |
| 7.0 | -0.9433 | 5.1968 | View | CSV | PDB |
| 7.5 | -0.906 | 5.1968 | View | CSV | PDB |
| 8.0 | -0.859 | 5.3208 | View | CSV | PDB |
| 8.5 | -0.8048 | 5.4557 | View | CSV | PDB |
| 9.0 | -0.7432 | 5.5854 | 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