| Chain sequence(s) |
A: HHHHHHGGSGVEMSDQEAKPSTEDLGDKKEGEYIKLKVIGQDSSEIHFKVKMTTHLKKLKESYCQRQGVPMNSLRFLFEGQRIADNHTPKELGMEEEDVIEVYQEQTGGHSTVDNSRLWQAGKEHIFHYTGRLLSGIPGLRPHFSGIGIETEVHLQVKSLEDIRLNLRQVNYTQVNGPLSPGLPHVTSSYEGSNWRYVLLPQFTQAPIDIKKLLKVPITFAIHDGEIKTITVSGTEQKWSLNFKKALVALFQTKMETSTLDNKMNTIVKDSDSTKNYWKVSEETIEGVCDVIYQVNELPEYIVKERAHYFPHLEACTSKKFYEITKTKNIDSCKKSAVYTFMKPAVKAKKCNSFKCLSNTFGSASSMTRYYACGPRSNWILQTIVNEGEIVQRPVGVKSETITTGTRQVLKLRTIQPISSEVPKPPQPRTTEKIMYEYINAGQVSRQQIGIIPKIPQSELKSGEIYKYLPRHFNPAPSSTESKQHLSATKIKAELKSYIISIIDDLSSVEELAQKEIPLRLTTFIRGMTLLKVEDIKSLYTDLKSTVYSPAHSNQEKISMFHNIFFDAVMVSGTTPAVLFLKDMIKSKEIPTYQATYLLMLLPHHIITPTKEVFTSLLEIIQSEIVISNTILYNTAILSMSNLVEKTCLDKSRQVSYPTAVFGQFCDAQSEIVTEKWIPYLTKAVQTAPTADRRNAIIMALGALKHKDIIPALLPLVEGHGPIEQGSGVAFPNISRTLSIYAIGNVRVHHPELVLPIILSVYSNPAENTQLRIAAFNMLVNMNPPMNIIQKIAAMTWSEKNTEVLKKTYTGFYTLSRSVDISNLEDTSPESTLAKKTQLVVPLMRKTSGVLQGGSGVEMKKGFSLLSLITMFLMIILLAACAPEREEEAVTTDTNDGEADQPEELTIWANDREEQLEAIEKIANDYTEQTGINVKVETKPMMDQLQELSLAGPEGNGPDLFFQPHDQIGNIVAQGLADPLTLSDDELSNYASSSIDAVTYEFEGETDIYGIPAVIETYGIFYNKEIVPEAPETIRIRSLGGSGVEHHHHHH
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:13)
[INFO] FoldX: Starting FoldX energy minimization (00:00:13)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:39:39)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/471837ca721d7e3/tmp/folded.pdb (00:39:39)
[INFO] Main: Simulation completed successfully. (01:02:45)
|
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 | -1.6751 | |
| 2 | H | A | -2.2234 | |
| 3 | H | A | -2.4718 | |
| 4 | H | A | -2.4481 | |
| 5 | H | A | -2.3210 | |
| 6 | H | A | -2.0760 | |
| 7 | G | A | -1.4744 | |
| 8 | G | A | -1.1595 | |
| 9 | S | A | -0.3922 | |
| 10 | G | A | -0.2129 | |
| 11 | V | A | 0.8517 | |
| 12 | E | A | -0.5505 | |
| 13 | M | A | 0.0072 | |
| 14 | S | A | -1.2195 | |
| 15 | D | A | -2.7013 | |
| 16 | Q | A | -3.0375 | |
| 17 | E | A | -3.1060 | |
| 18 | A | A | -1.9738 | |
| 19 | K | A | -2.2356 | |
| 20 | P | A | -1.2610 | |
| 21 | S | A | -1.0709 | |
| 22 | T | A | -1.4914 | |
| 23 | E | A | -2.5673 | |
| 24 | D | A | -2.1780 | |
| 25 | L | A | -0.3497 | |
| 26 | G | A | -1.2999 | |
| 27 | D | A | -2.8442 | |
| 28 | K | A | -3.8880 | |
| 29 | K | A | -4.1532 | |
| 30 | E | A | -3.4577 | |
| 31 | G | A | -2.2070 | |
| 32 | E | A | -2.1634 | |
| 33 | Y | A | -1.1262 | |
| 34 | I | A | 0.0000 | |
| 35 | K | A | -2.7407 | |
| 36 | L | A | 0.0000 | |
| 37 | K | A | -1.8366 | |
| 38 | V | A | 0.0000 | |
| 39 | I | A | -1.0775 | |
| 40 | G | A | -1.7785 | |
| 41 | Q | A | -2.4468 | |
| 42 | D | A | -2.6029 | |
| 43 | S | A | -1.9128 | |
| 44 | S | A | -1.6606 | |
| 45 | E | A | -2.1606 | |
| 46 | I | A | -1.0086 | |
| 47 | H | A | -1.5865 | |
| 48 | F | A | -1.4831 | |
| 49 | K | A | -2.2523 | |
| 50 | V | A | 0.0000 | |
| 51 | K | A | -1.3978 | |
| 52 | M | A | -1.8724 | |
| 53 | T | A | -1.2634 | |
| 54 | T | A | -1.2876 | |
| 55 | H | A | -2.5550 | |
| 56 | L | A | 0.0000 | |
| 57 | K | A | -3.0345 | |
| 58 | K | A | -3.1978 | |
| 59 | L | A | 0.0000 | |
| 60 | K | A | 0.0000 | |
| 61 | E | A | -3.4448 | |
| 62 | S | A | -2.4901 | |
| 63 | Y | A | 0.0000 | |
| 64 | C | A | 0.0000 | |
| 65 | Q | A | -2.8115 | |
| 66 | R | A | -2.9689 | |
| 67 | Q | A | -2.0907 | |
| 68 | G | A | -1.4867 | |
| 69 | V | A | -0.9640 | |
| 70 | P | A | -0.8791 | |
| 71 | M | A | -1.3339 | |
| 72 | N | A | -1.6651 | |
| 73 | S | A | -1.2017 | |
| 74 | L | A | -1.0883 | |
| 75 | R | A | -1.6045 | |
| 76 | F | A | 0.0000 | |
| 77 | L | A | -1.5209 | |
| 78 | F | A | 0.0000 | |
| 79 | E | A | -2.5691 | |
| 80 | G | A | -2.2375 | |
| 81 | Q | A | -2.4647 | |
| 82 | R | A | -2.2092 | |
| 83 | I | A | 0.0000 | |
| 84 | A | A | -1.5553 | |
| 85 | D | A | -2.6091 | |
| 86 | N | A | -2.5917 | |
| 87 | H | A | -2.2146 | |
| 88 | T | A | 0.0000 | |
| 89 | P | A | 0.0000 | |
| 90 | K | A | -3.0933 | |
| 91 | E | A | -2.9123 | |
| 92 | L | A | -1.9894 | |
| 93 | G | A | -1.9666 | |
| 94 | M | A | 0.0000 | |
| 95 | E | A | -3.4432 | |
| 96 | E | A | -3.8104 | |
| 97 | E | A | -3.6328 | |
| 98 | D | A | -2.5990 | |
| 99 | V | A | -1.2624 | |
| 100 | I | A | 0.0000 | |
| 101 | E | A | -1.6321 | |
| 102 | V | A | 0.0000 | |
| 103 | Y | A | -1.1216 | |
| 104 | Q | A | -1.8585 | |
| 105 | E | A | -1.9230 | |
| 106 | Q | A | -2.0167 | |
| 107 | T | A | -1.6395 | |
| 108 | G | A | -1.5220 | |
| 109 | G | A | -1.7409 | |
| 110 | H | A | -1.6500 | |
| 111 | S | A | -1.4159 | |
| 112 | T | A | -1.3126 | |
| 113 | V | A | -1.3484 | |
| 114 | D | A | -2.0522 | |
| 115 | N | A | 0.0000 | |
| 116 | S | A | -1.5235 | |
| 117 | R | A | -1.9444 | |
| 118 | L | A | -0.9403 | |
| 119 | W | A | 0.0000 | |
| 120 | Q | A | -1.7290 | |
| 121 | A | A | -1.2509 | |
| 122 | G | A | -1.2538 | |
| 123 | K | A | -1.2873 | |
| 124 | E | A | 0.0000 | |
| 125 | H | A | 0.0000 | |
| 126 | I | A | -0.3869 | |
| 127 | F | A | 0.0000 | |
| 128 | H | A | -0.9581 | |
| 129 | Y | A | 0.0000 | |
| 130 | T | A | -0.4547 | |
| 131 | G | A | 0.0000 | |
| 132 | R | A | -0.0988 | |
| 133 | L | A | 0.3938 | |
| 134 | L | A | 0.0000 | |
| 135 | S | A | 0.0942 | |
| 136 | G | A | -0.2262 | |
| 137 | I | A | 0.0416 | |
| 138 | P | A | -0.8295 | |
| 139 | G | A | -0.9399 | |
| 140 | L | A | -0.1730 | |
| 141 | R | A | -1.6796 | |
| 142 | P | A | -1.3721 | |
| 143 | H | A | -1.4909 | |
| 144 | F | A | 0.0000 | |
| 145 | S | A | -0.9639 | |
| 146 | G | A | -0.4524 | |
| 147 | I | A | -0.1591 | |
| 148 | G | A | 0.0000 | |
| 149 | I | A | 0.0000 | |
| 150 | E | A | -0.8976 | |
| 151 | T | A | 0.0000 | |
| 152 | E | A | -1.4162 | |
| 153 | V | A | 0.0000 | |
| 154 | H | A | -0.2838 | |
| 155 | L | A | 0.0000 | |
| 156 | Q | A | 0.0000 | |
| 157 | V | A | 0.0000 | |
| 158 | K | A | -1.7302 | |
| 159 | S | A | -1.3819 | |
| 160 | L | A | -1.3678 | |
| 161 | E | A | -2.2463 | |
| 162 | D | A | -1.5348 | |
| 163 | I | A | 0.0000 | |
| 164 | R | A | -1.0800 | |
| 165 | L | A | 0.0000 | |
| 166 | N | A | 0.0000 | |
| 167 | L | A | 0.0000 | |
| 168 | R | A | -1.8518 | |
| 169 | Q | A | -2.1594 | |
| 170 | V | A | 0.0000 | |
| 171 | N | A | -1.2127 | |
| 172 | Y | A | -0.7535 | |
| 173 | T | A | 0.0000 | |
| 174 | Q | A | -1.3672 | |
| 175 | V | A | 0.0000 | |
| 176 | N | A | -1.8433 | |
| 177 | G | A | -1.4801 | |
| 178 | P | A | -1.1640 | |
| 179 | L | A | 0.0000 | |
| 180 | S | A | 0.1568 | |
| 181 | P | A | 0.2327 | |
| 182 | G | A | 0.3685 | |
| 183 | L | A | 0.1248 | |
| 184 | P | A | -0.5454 | |
| 185 | H | A | -0.9189 | |
| 186 | V | A | -0.1552 | |
| 187 | T | A | -0.4031 | |
| 188 | S | A | -0.5421 | |
| 189 | S | A | -0.7240 | |
| 190 | Y | A | -0.8023 | |
| 191 | E | A | -2.0656 | |
| 192 | G | A | -1.4131 | |
| 193 | S | A | 0.0000 | |
| 194 | N | A | -0.4729 | |
| 195 | W | A | 0.0000 | |
| 196 | R | A | 0.0000 | |
| 197 | Y | A | 0.6544 | |
| 198 | V | A | 0.0000 | |
| 199 | L | A | 1.2580 | |
| 200 | L | A | 0.4696 | |
| 201 | P | A | -0.4327 | |
| 202 | Q | A | -0.9031 | |
| 203 | F | A | -0.5431 | |
| 204 | T | A | -0.9013 | |
| 205 | Q | A | -1.1381 | |
| 206 | A | A | 0.0000 | |
| 207 | P | A | -0.2837 | |
| 208 | I | A | 0.4138 | |
| 209 | D | A | -1.3543 | |
| 210 | I | A | -0.8365 | |
| 211 | K | A | -1.5201 | |
| 212 | K | A | -1.9456 | |
| 213 | L | A | -1.0270 | |
| 214 | L | A | 0.0000 | |
| 215 | K | A | -1.5785 | |
| 216 | V | A | -0.7740 | |
| 217 | P | A | -0.5837 | |
| 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 | -2.1048 | |
| 224 | D | A | -2.5191 | |
| 225 | G | A | 0.0000 | |
| 226 | E | A | -1.4296 | |
| 227 | I | A | 0.0000 | |
| 228 | K | A | -2.5735 | |
| 229 | T | A | -1.9310 | |
| 230 | I | A | 0.0000 | |
| 231 | T | A | -1.0104 | |
| 232 | V | A | 0.0000 | |
| 233 | S | A | 0.0000 | |
| 234 | G | A | -1.2668 | |
| 235 | T | A | -0.8857 | |
| 236 | E | A | 0.0000 | |
| 237 | Q | A | -0.9224 | |
| 238 | K | A | -0.3902 | |
| 239 | W | A | 0.4029 | |
| 240 | S | A | 0.0000 | |
| 241 | L | A | 0.0000 | |
| 242 | N | A | 0.0000 | |
| 243 | F | A | 0.4888 | |
| 244 | K | A | 0.0000 | |
| 245 | K | A | 0.0000 | |
| 246 | A | A | 0.2399 | |
| 247 | L | A | 0.0000 | |
| 248 | V | A | 0.0000 | |
| 249 | A | A | 0.0203 | |
| 250 | L | A | 0.0000 | |
| 251 | F | A | 0.0000 | |
| 252 | Q | A | 0.0000 | |
| 253 | T | A | 0.0000 | |
| 254 | K | A | -1.1340 | |
| 255 | M | A | 0.0000 | |
| 256 | E | A | -1.1026 | |
| 257 | T | A | -0.6186 | |
| 258 | S | A | -0.5134 | |
| 259 | T | A | -0.1573 | |
| 260 | L | A | -0.2153 | |
| 261 | D | A | -2.0674 | |
| 262 | N | A | -2.4541 | |
| 263 | K | A | -2.5667 | |
| 264 | M | A | -1.0595 | |
| 265 | N | A | -0.7886 | |
| 266 | T | A | 0.5177 | |
| 267 | I | A | 1.9437 | |
| 268 | V | A | 0.9965 | |
| 269 | K | A | -1.5596 | |
| 270 | D | A | -2.5861 | |
| 271 | S | A | -2.1218 | |
| 272 | D | A | -2.8483 | |
| 273 | S | A | -2.0351 | |
| 274 | T | A | -1.8057 | |
| 275 | K | A | -2.1341 | |
| 276 | N | A | -1.4753 | |
| 277 | Y | A | -0.8661 | |
| 278 | W | A | 0.0000 | |
| 279 | K | A | -1.0021 | |
| 280 | V | A | 0.0000 | |
| 281 | S | A | -0.7891 | |
| 282 | E | A | 0.0000 | |
| 283 | E | A | -1.2175 | |
| 284 | T | A | 0.0000 | |
| 285 | I | A | 0.2154 | |
| 286 | E | A | -0.2015 | |
| 287 | G | A | 0.0000 | |
| 288 | V | A | -1.1656 | |
| 289 | C | A | 0.0000 | |
| 290 | D | A | -1.1080 | |
| 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 | -1.6046 | |
| 298 | L | A | 0.0000 | |
| 299 | P | A | -1.4983 | |
| 300 | E | A | -2.5528 | |
| 301 | Y | A | -0.6150 | |
| 302 | I | A | 0.0000 | |
| 303 | V | A | 0.0000 | |
| 304 | K | A | -2.6521 | |
| 305 | E | A | -2.7999 | |
| 306 | R | A | 0.0000 | |
| 307 | A | A | -1.5934 | |
| 308 | H | A | -1.5173 | |
| 309 | Y | A | -0.8141 | |
| 310 | F | A | 0.0000 | |
| 311 | P | A | -0.9280 | |
| 312 | H | A | -0.9870 | |
| 313 | L | A | -1.1571 | |
| 314 | E | A | -1.9264 | |
| 315 | A | A | -0.9595 | |
| 316 | C | A | 0.0000 | |
| 317 | T | A | -1.2095 | |
| 318 | S | A | -1.3606 | |
| 319 | K | A | -2.9365 | |
| 320 | K | A | -2.7609 | |
| 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 | 0.0000 | |
| 328 | K | A | 0.0000 | |
| 329 | N | A | -0.5171 | |
| 330 | I | A | 0.0000 | |
| 331 | D | A | -1.1416 | |
| 332 | S | A | -1.1473 | |
| 333 | C | A | -1.7061 | |
| 334 | K | A | -2.5339 | |
| 335 | K | A | -2.5599 | |
| 336 | S | A | -1.3023 | |
| 337 | A | A | 0.0000 | |
| 338 | V | A | 0.3552 | |
| 339 | Y | A | 1.6668 | |
| 340 | T | A | 1.0398 | |
| 341 | F | A | 1.7799 | |
| 342 | M | A | -0.0342 | |
| 343 | K | A | -1.1829 | |
| 344 | P | A | -0.7709 | |
| 345 | A | A | -0.5712 | |
| 346 | V | A | -0.7084 | |
| 347 | K | A | -2.1338 | |
| 348 | A | A | -1.9464 | |
| 349 | K | A | -2.8581 | |
| 350 | K | A | -2.6574 | |
| 351 | C | A | -1.3640 | |
| 352 | N | A | -1.8589 | |
| 353 | S | A | -1.3922 | |
| 354 | F | A | -0.7978 | |
| 355 | K | A | -1.6987 | |
| 356 | C | A | -1.1657 | |
| 357 | L | A | -0.2723 | |
| 358 | S | A | -0.3526 | |
| 359 | N | A | -1.1629 | |
| 360 | T | A | -0.0199 | |
| 361 | F | A | 1.4043 | |
| 362 | G | A | 0.0000 | |
| 363 | S | A | 0.0000 | |
| 364 | A | A | 0.0000 | |
| 365 | S | A | 0.1162 | |
| 366 | S | A | 0.0000 | |
| 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 | -1.1687 | |
| 376 | R | A | -1.2202 | |
| 377 | S | A | -1.2367 | |
| 378 | N | A | -1.6116 | |
| 379 | W | A | 0.0000 | |
| 380 | I | A | 0.1242 | |
| 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 | -0.2508 | |
| 387 | E | A | 0.0000 | |
| 388 | G | A | 0.0000 | |
| 389 | E | A | 0.0000 | |
| 390 | I | A | 0.7123 | |
| 391 | V | A | 0.0000 | |
| 392 | Q | A | 0.4179 | |
| 393 | R | A | 0.0106 | |
| 394 | P | A | 0.4415 | |
| 395 | V | A | 1.1503 | |
| 396 | G | A | 0.2193 | |
| 397 | V | A | -0.2222 | |
| 398 | K | A | -1.6617 | |
| 399 | S | A | -1.2089 | |
| 400 | E | A | -1.6126 | |
| 401 | T | A | -0.3528 | |
| 402 | I | A | 0.1507 | |
| 403 | T | A | 0.0000 | |
| 404 | T | A | 0.4673 | |
| 405 | G | A | 0.0000 | |
| 406 | T | A | 0.1059 | |
| 407 | R | A | -0.2547 | |
| 408 | Q | A | -0.2689 | |
| 409 | V | A | -0.2369 | |
| 410 | L | A | 0.0000 | |
| 411 | K | A | -1.0679 | |
| 412 | L | A | 0.0000 | |
| 413 | R | A | -1.2820 | |
| 414 | T | A | -0.4034 | |
| 415 | I | A | 0.1031 | |
| 416 | Q | A | -0.4684 | |
| 417 | P | A | -0.6849 | |
| 418 | I | A | -0.7371 | |
| 419 | S | A | -0.7699 | |
| 420 | S | A | -1.0561 | |
| 421 | E | A | -2.0197 | |
| 422 | V | A | 0.0000 | |
| 423 | P | A | -1.3404 | |
| 424 | K | A | -1.8452 | |
| 425 | P | A | 0.0000 | |
| 426 | P | A | -1.3533 | |
| 427 | Q | A | -1.8767 | |
| 428 | P | A | -1.6135 | |
| 429 | R | A | -1.3173 | |
| 430 | T | A | -1.0792 | |
| 431 | T | A | -1.5902 | |
| 432 | E | A | -2.7293 | |
| 433 | K | A | -2.0473 | |
| 434 | I | A | 0.0000 | |
| 435 | M | A | -0.3690 | |
| 436 | Y | A | 0.5353 | |
| 437 | E | A | 0.3899 | |
| 438 | Y | A | 1.2259 | |
| 439 | I | A | 1.0013 | |
| 440 | N | A | -0.5878 | |
| 441 | A | A | 0.1449 | |
| 442 | G | A | -0.7584 | |
| 443 | Q | A | -0.8746 | |
| 444 | V | A | 0.3716 | |
| 445 | S | A | -1.0567 | |
| 446 | R | A | -2.3020 | |
| 447 | Q | A | -2.0510 | |
| 448 | Q | A | -1.1877 | |
| 449 | I | A | 1.3600 | |
| 450 | G | A | 1.4815 | |
| 451 | I | A | 2.7721 | |
| 452 | I | A | 2.8267 | |
| 453 | P | A | 0.8005 | |
| 454 | K | A | -0.3359 | |
| 455 | I | A | 0.9293 | |
| 456 | P | A | -0.5992 | |
| 457 | Q | A | -1.4311 | |
| 458 | S | A | -1.3085 | |
| 459 | E | A | -1.9893 | |
| 460 | L | A | -0.4791 | |
| 461 | K | A | -1.8842 | |
| 462 | S | A | -1.2372 | |
| 463 | G | A | -1.0457 | |
| 464 | E | A | -1.1909 | |
| 465 | I | A | 1.3602 | |
| 466 | Y | A | 1.4583 | |
| 467 | K | A | 0.1843 | |
| 468 | Y | A | 1.3800 | |
| 469 | L | A | 0.8187 | |
| 470 | P | A | -0.4165 | |
| 471 | R | A | -1.6223 | |
| 472 | H | A | -1.2441 | |
| 473 | F | A | 0.2380 | |
| 474 | N | A | -1.0482 | |
| 475 | P | A | -0.5230 | |
| 476 | A | A | -0.3437 | |
| 477 | P | A | -0.6744 | |
| 478 | S | A | -0.7786 | |
| 479 | S | A | -1.0219 | |
| 480 | T | A | -1.4615 | |
| 481 | E | A | -2.6786 | |
| 482 | S | A | -2.4491 | |
| 483 | K | A | -3.0185 | |
| 484 | Q | A | -2.5979 | |
| 485 | H | A | -1.6905 | |
| 486 | L | A | -0.4249 | |
| 487 | S | A | -0.5029 | |
| 488 | A | A | -0.5517 | |
| 489 | T | A | -1.0190 | |
| 490 | K | A | -1.8570 | |
| 491 | I | A | 0.0000 | |
| 492 | K | A | -1.5204 | |
| 493 | A | A | -1.7892 | |
| 494 | E | A | -2.3489 | |
| 495 | L | A | 0.0000 | |
| 496 | K | A | -1.4817 | |
| 497 | S | A | -0.7985 | |
| 498 | Y | A | -0.2263 | |
| 499 | I | A | 0.0000 | |
| 500 | I | A | -0.2097 | |
| 501 | S | A | -0.5510 | |
| 502 | I | A | 0.0000 | |
| 503 | I | A | 0.0000 | |
| 504 | D | A | -1.8636 | |
| 505 | D | A | -1.0905 | |
| 506 | L | A | -0.1768 | |
| 507 | S | A | -0.7506 | |
| 508 | S | A | -0.3495 | |
| 509 | V | A | 0.6400 | |
| 510 | E | A | -1.7756 | |
| 511 | E | A | -2.2293 | |
| 512 | L | A | -1.0278 | |
| 513 | A | A | -1.5148 | |
| 514 | Q | A | -2.3642 | |
| 515 | K | A | -1.9130 | |
| 516 | E | A | -1.7326 | |
| 517 | I | A | 0.0000 | |
| 518 | P | A | -0.0567 | |
| 519 | L | A | 0.8376 | |
| 520 | R | A | 0.0235 | |
| 521 | L | A | 0.2042 | |
| 522 | T | A | 0.1473 | |
| 523 | T | A | -0.1766 | |
| 524 | F | A | 0.0000 | |
| 525 | I | A | -0.1341 | |
| 526 | R | A | -1.3574 | |
| 527 | G | A | -0.6410 | |
| 528 | M | A | 0.0000 | |
| 529 | T | A | -0.0234 | |
| 530 | L | A | 0.8534 | |
| 531 | L | A | 0.0000 | |
| 532 | K | A | -2.0051 | |
| 533 | V | A | -1.7842 | |
| 534 | E | A | -2.5984 | |
| 535 | D | A | -1.7988 | |
| 536 | I | A | 0.0000 | |
| 537 | K | A | -1.8853 | |
| 538 | S | A | -1.6822 | |
| 539 | L | A | 0.0000 | |
| 540 | Y | A | 0.0000 | |
| 541 | T | A | -1.3206 | |
| 542 | D | A | -2.1651 | |
| 543 | L | A | 0.0000 | |
| 544 | K | A | -0.8675 | |
| 545 | S | A | -0.7487 | |
| 546 | T | A | -0.5943 | |
| 547 | V | A | 0.0000 | |
| 548 | Y | A | 0.2668 | |
| 549 | S | A | -0.0944 | |
| 550 | P | A | -0.3129 | |
| 551 | A | A | -0.2933 | |
| 552 | H | A | -0.9235 | |
| 553 | S | A | -1.0149 | |
| 554 | N | A | -1.8107 | |
| 555 | Q | A | -2.3082 | |
| 556 | E | A | -2.6912 | |
| 557 | K | A | -1.8614 | |
| 558 | I | A | -1.1362 | |
| 559 | S | A | -1.3375 | |
| 560 | M | A | -1.0707 | |
| 561 | F | A | 0.0000 | |
| 562 | H | A | -0.8495 | |
| 563 | N | A | -0.8904 | |
| 564 | I | A | 0.0000 | |
| 565 | F | A | 0.0000 | |
| 566 | F | A | 0.0000 | |
| 567 | D | A | -0.2067 | |
| 568 | A | A | 0.0000 | |
| 569 | V | A | 0.0000 | |
| 570 | M | A | 0.0000 | |
| 571 | V | A | 0.2357 | |
| 572 | S | A | 0.0000 | |
| 573 | G | A | 0.0000 | |
| 574 | T | A | 0.0000 | |
| 575 | T | A | -0.4306 | |
| 576 | P | A | -0.7679 | |
| 577 | A | A | 0.0000 | |
| 578 | V | A | 0.0000 | |
| 579 | L | A | -0.5342 | |
| 580 | F | A | 0.0000 | |
| 581 | L | A | 0.0000 | |
| 582 | K | A | -0.9536 | |
| 583 | D | A | -1.4841 | |
| 584 | M | A | -1.3252 | |
| 585 | I | A | 0.0000 | |
| 586 | K | A | -2.2095 | |
| 587 | S | A | -1.7550 | |
| 588 | K | A | -2.3769 | |
| 589 | E | A | -1.6907 | |
| 590 | I | A | 0.0000 | |
| 591 | P | A | -0.2672 | |
| 592 | T | A | 0.5182 | |
| 593 | Y | A | 1.6952 | |
| 594 | Q | A | 0.0000 | |
| 595 | A | A | 0.0000 | |
| 596 | T | A | 1.3030 | |
| 597 | Y | A | 1.2670 | |
| 598 | L | A | 0.0000 | |
| 599 | L | A | 0.0000 | |
| 600 | M | A | 0.9954 | |
| 601 | L | A | 0.5057 | |
| 602 | L | A | 0.0000 | |
| 603 | P | A | -0.4700 | |
| 604 | H | A | -0.9036 | |
| 605 | H | A | -0.2038 | |
| 606 | I | A | 0.0000 | |
| 607 | I | A | 1.2116 | |
| 608 | T | A | 0.5902 | |
| 609 | P | A | 0.0000 | |
| 610 | T | A | -0.9926 | |
| 611 | K | A | -2.4263 | |
| 612 | E | A | -2.4362 | |
| 613 | V | A | 0.0000 | |
| 614 | F | A | 0.0000 | |
| 615 | T | A | -1.6052 | |
| 616 | S | A | 0.0000 | |
| 617 | L | A | 0.0000 | |
| 618 | L | A | 0.0000 | |
| 619 | E | A | -2.2388 | |
| 620 | I | A | 0.0000 | |
| 621 | I | A | 0.0000 | |
| 622 | Q | A | -1.8569 | |
| 623 | S | A | 0.0000 | |
| 624 | E | A | -2.0768 | |
| 625 | I | A | -1.2057 | |
| 626 | V | A | 0.0000 | |
| 627 | I | A | -0.0910 | |
| 628 | S | A | -0.2355 | |
| 629 | N | A | 0.1203 | |
| 630 | T | A | 0.4808 | |
| 631 | I | A | 1.8332 | |
| 632 | L | A | 0.0000 | |
| 633 | Y | A | 0.0000 | |
| 634 | N | A | 0.4861 | |
| 635 | T | A | 0.9384 | |
| 636 | A | A | 0.0000 | |
| 637 | I | A | 0.0000 | |
| 638 | L | A | 0.2979 | |
| 639 | S | A | -0.0924 | |
| 640 | M | A | 0.0000 | |
| 641 | S | A | 0.0000 | |
| 642 | N | A | -1.5256 | |
| 643 | L | A | 0.0000 | |
| 644 | V | A | 0.0000 | |
| 645 | E | A | -1.4405 | |
| 646 | K | A | -1.7806 | |
| 647 | T | A | 0.0000 | |
| 648 | C | A | 0.0000 | |
| 649 | L | A | 0.0000 | |
| 650 | D | A | -1.7646 | |
| 651 | K | A | -1.9400 | |
| 652 | S | A | -0.9614 | |
| 653 | R | A | -1.2213 | |
| 654 | Q | A | -0.6984 | |
| 655 | V | A | 0.9869 | |
| 656 | S | A | 0.2235 | |
| 657 | Y | A | 0.7558 | |
| 658 | P | A | 1.2036 | |
| 659 | T | A | 0.8557 | |
| 660 | A | A | 1.2836 | |
| 661 | V | A | 2.5388 | |
| 662 | F | A | 2.4734 | |
| 663 | G | A | 0.6694 | |
| 664 | Q | A | -0.6489 | |
| 665 | F | A | 0.0000 | |
| 666 | C | A | 0.0000 | |
| 667 | D | A | -1.4672 | |
| 668 | A | A | -1.2856 | |
| 669 | Q | A | -2.0733 | |
| 670 | S | A | -2.3096 | |
| 671 | E | A | -3.3984 | |
| 672 | I | A | 0.0000 | |
| 673 | V | A | 0.0000 | |
| 674 | T | A | -2.5143 | |
| 675 | E | A | -3.3724 | |
| 676 | K | A | -2.8386 | |
| 677 | W | A | 0.0000 | |
| 678 | I | A | 0.0000 | |
| 679 | P | A | -1.5245 | |
| 680 | Y | A | -1.2212 | |
| 681 | L | A | 0.0000 | |
| 682 | T | A | -1.2531 | |
| 683 | K | A | -2.0524 | |
| 684 | A | A | -1.2333 | |
| 685 | V | A | 0.0000 | |
| 686 | Q | A | -1.7109 | |
| 687 | T | A | -1.1789 | |
| 688 | A | A | -1.1415 | |
| 689 | P | A | -0.8251 | |
| 690 | T | A | -0.7904 | |
| 691 | A | A | -0.7732 | |
| 692 | D | A | -1.7548 | |
| 693 | R | A | -0.8882 | |
| 694 | R | A | 0.0000 | |
| 695 | N | A | -0.5157 | |
| 696 | A | A | -0.1952 | |
| 697 | I | A | 0.0000 | |
| 698 | I | A | 0.0000 | |
| 699 | M | A | 0.3948 | |
| 700 | A | A | 0.0000 | |
| 701 | L | A | 0.0000 | |
| 702 | G | A | 0.0000 | |
| 703 | A | A | -0.4363 | |
| 704 | L | A | 0.0000 | |
| 705 | K | A | -0.9650 | |
| 706 | H | A | 0.0000 | |
| 707 | K | A | -1.8103 | |
| 708 | D | A | -1.8697 | |
| 709 | I | A | 0.0000 | |
| 710 | I | A | 0.0000 | |
| 711 | P | A | -0.4577 | |
| 712 | A | A | -0.6876 | |
| 713 | L | A | 0.0000 | |
| 714 | L | A | -0.3588 | |
| 715 | P | A | -1.0764 | |
| 716 | L | A | 0.0000 | |
| 717 | V | A | 0.0000 | |
| 718 | E | A | -2.2338 | |
| 719 | G | A | -1.6435 | |
| 720 | H | A | -1.5201 | |
| 721 | G | A | -0.9352 | |
| 722 | P | A | -0.3962 | |
| 723 | I | A | 0.4767 | |
| 724 | E | A | -0.5730 | |
| 725 | Q | A | -1.3228 | |
| 726 | G | A | -0.9483 | |
| 727 | S | A | -0.2369 | |
| 728 | G | A | 0.1098 | |
| 729 | V | A | 1.4772 | |
| 730 | A | A | 0.6187 | |
| 731 | F | A | 0.0000 | |
| 732 | P | A | 0.2122 | |
| 733 | N | A | -0.8180 | |
| 734 | I | A | 0.8180 | |
| 735 | S | A | 0.0000 | |
| 736 | R | A | -0.7273 | |
| 737 | T | A | 0.0000 | |
| 738 | L | A | 0.5561 | |
| 739 | S | A | 0.0000 | |
| 740 | I | A | 0.0000 | |
| 741 | Y | A | 0.3651 | |
| 742 | A | A | 0.0000 | |
| 743 | I | A | 0.0000 | |
| 744 | G | A | 0.0000 | |
| 745 | N | A | -0.4881 | |
| 746 | V | A | 0.0000 | |
| 747 | R | A | -0.7435 | |
| 748 | V | A | 0.3835 | |
| 749 | H | A | -0.8357 | |
| 750 | H | A | -1.1375 | |
| 751 | P | A | -1.2155 | |
| 752 | E | A | -1.9382 | |
| 753 | L | A | -0.8924 | |
| 754 | V | A | 0.0000 | |
| 755 | L | A | -0.3447 | |
| 756 | P | A | -0.3221 | |
| 757 | I | A | 0.1302 | |
| 758 | I | A | 0.0000 | |
| 759 | L | A | 0.0000 | |
| 760 | S | A | -0.1304 | |
| 761 | V | A | 0.0000 | |
| 762 | Y | A | 0.0000 | |
| 763 | S | A | 0.0000 | |
| 764 | N | A | -0.6331 | |
| 765 | P | A | -0.6855 | |
| 766 | A | A | -0.6303 | |
| 767 | E | A | -1.0610 | |
| 768 | N | A | -1.4037 | |
| 769 | T | A | -1.3642 | |
| 770 | Q | A | -1.2531 | |
| 771 | L | A | 0.0000 | |
| 772 | R | A | 0.0000 | |
| 773 | I | A | -0.7523 | |
| 774 | A | A | 0.0000 | |
| 775 | A | A | 0.0000 | |
| 776 | F | A | 0.0000 | |
| 777 | N | A | -0.4453 | |
| 778 | M | A | -0.4248 | |
| 779 | L | A | 0.0000 | |
| 780 | V | A | -0.5751 | |
| 781 | N | A | -1.4172 | |
| 782 | M | A | -0.7031 | |
| 783 | N | A | -1.1864 | |
| 784 | P | A | 0.0000 | |
| 785 | P | A | -0.4788 | |
| 786 | M | A | -0.1030 | |
| 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 | -0.0375 | |
| 795 | M | A | 0.0000 | |
| 796 | T | A | 0.0000 | |
| 797 | W | A | -0.2685 | |
| 798 | S | A | -0.2936 | |
| 799 | E | A | 0.0000 | |
| 800 | K | A | -1.5134 | |
| 801 | N | A | -1.5160 | |
| 802 | T | A | -1.7078 | |
| 803 | E | A | -2.6362 | |
| 804 | V | A | 0.0000 | |
| 805 | L | A | 0.0000 | |
| 806 | K | A | -2.1717 | |
| 807 | K | A | -1.5736 | |
| 808 | T | A | 0.0000 | |
| 809 | Y | A | 0.0000 | |
| 810 | T | A | -0.2385 | |
| 811 | G | A | -0.2685 | |
| 812 | F | A | 0.0000 | |
| 813 | Y | A | -0.2510 | |
| 814 | T | A | -0.3638 | |
| 815 | L | A | -0.2521 | |
| 816 | S | A | 0.0000 | |
| 817 | R | A | -1.9915 | |
| 818 | S | A | -1.0557 | |
| 819 | V | A | -0.8533 | |
| 820 | D | A | -1.9247 | |
| 821 | I | A | -1.1625 | |
| 822 | S | A | -1.1724 | |
| 823 | N | A | -1.6961 | |
| 824 | L | A | -1.0652 | |
| 825 | E | A | -2.4532 | |
| 826 | D | A | -2.7717 | |
| 827 | T | A | -1.6448 | |
| 828 | S | A | -1.7003 | |
| 829 | P | A | -1.6414 | |
| 830 | E | A | -2.3935 | |
| 831 | S | A | -1.7244 | |
| 832 | T | A | -0.8187 | |
| 833 | L | A | -0.5968 | |
| 834 | A | A | 0.0000 | |
| 835 | K | A | -1.0632 | |
| 836 | K | A | -0.6119 | |
| 837 | T | A | 0.0000 | |
| 838 | Q | A | -0.4655 | |
| 839 | L | A | -0.1464 | |
| 840 | V | A | 0.0000 | |
| 841 | V | A | 0.0000 | |
| 842 | P | A | -0.4360 | |
| 843 | L | A | 0.0000 | |
| 844 | M | A | 0.0000 | |
| 845 | R | A | -1.0482 | |
| 846 | K | A | -1.6011 | |
| 847 | T | A | -1.2816 | |
| 848 | S | A | -0.5299 | |
| 849 | G | A | -0.4890 | |
| 850 | V | A | 0.0999 | |
| 851 | L | A | 0.5364 | |
| 852 | Q | A | -1.0111 | |
| 853 | G | A | -0.8590 | |
| 854 | G | A | -0.7843 | |
| 855 | S | A | -0.8072 | |
| 856 | G | A | -0.2621 | |
| 857 | V | A | 0.5993 | |
| 858 | E | A | -1.2950 | |
| 859 | M | A | -0.7320 | |
| 860 | K | A | -2.1042 | |
| 861 | K | A | -2.2732 | |
| 862 | G | A | -0.5351 | |
| 863 | F | A | 1.6531 | |
| 864 | S | A | 1.7679 | |
| 865 | L | A | 3.1073 | |
| 866 | L | A | 3.2074 | |
| 867 | S | A | 2.5640 | |
| 868 | L | A | 3.4613 | |
| 869 | I | A | 3.9464 | |
| 870 | T | A | 3.0442 | |
| 871 | M | A | 3.4664 | |
| 872 | F | A | 4.7173 | |
| 873 | L | A | 4.9571 | |
| 874 | M | A | 4.6305 | |
| 875 | I | A | 4.6243 | |
| 876 | I | A | 4.9670 | |
| 877 | L | A | 4.5538 | |
| 878 | L | A | 3.7710 | |
| 879 | A | A | 2.3196 | |
| 880 | A | A | 1.5177 | |
| 881 | C | A | 1.0073 | |
| 882 | A | A | -0.1343 | |
| 883 | P | A | -1.5531 | |
| 884 | E | A | -3.4527 | |
| 885 | R | A | -4.3162 | |
| 886 | E | A | -4.5402 | |
| 887 | E | A | -4.0262 | |
| 888 | E | A | -2.9021 | |
| 889 | A | A | -0.7400 | |
| 890 | V | A | 0.8276 | |
| 891 | T | A | 0.0432 | |
| 892 | T | A | -0.7083 | |
| 893 | D | A | -2.2466 | |
| 894 | T | A | -2.1329 | |
| 895 | N | A | -3.0920 | |
| 896 | D | A | -3.2998 | |
| 897 | G | A | -2.9252 | |
| 898 | E | A | -3.2894 | |
| 899 | A | A | -2.4076 | |
| 900 | D | A | -3.2209 | |
| 901 | Q | A | -3.2093 | |
| 902 | P | A | -2.8313 | |
| 903 | E | A | -3.5498 | |
| 904 | E | A | -3.6106 | |
| 905 | L | A | -1.8755 | |
| 906 | T | A | -1.5010 | |
| 907 | I | A | 0.0000 | |
| 908 | W | A | 0.0000 | |
| 909 | A | A | 0.0000 | |
| 910 | N | A | -2.3584 | |
| 911 | D | A | -3.7290 | |
| 912 | R | A | -4.5262 | |
| 913 | E | A | -4.5398 | |
| 914 | E | A | -4.1346 | |
| 915 | Q | A | -3.5053 | |
| 916 | L | A | -3.3329 | |
| 917 | E | A | -3.5404 | |
| 918 | A | A | -2.0915 | |
| 919 | I | A | 0.0000 | |
| 920 | E | A | -2.6726 | |
| 921 | K | A | -2.5902 | |
| 922 | I | A | -0.4043 | |
| 923 | A | A | 0.0000 | |
| 924 | N | A | -3.1468 | |
| 925 | D | A | -2.9812 | |
| 926 | Y | A | -1.6377 | |
| 927 | T | A | -2.5734 | |
| 928 | E | A | -3.2057 | |
| 929 | Q | A | -2.6261 | |
| 930 | T | A | -1.8093 | |
| 931 | G | A | -2.3841 | |
| 932 | I | A | 0.0000 | |
| 933 | N | A | -2.6906 | |
| 934 | V | A | -2.0760 | |
| 935 | K | A | -2.3266 | |
| 936 | V | A | -1.1959 | |
| 937 | E | A | -1.4489 | |
| 938 | T | A | -1.5882 | |
| 939 | K | A | -1.6185 | |
| 940 | P | A | -1.4371 | |
| 941 | M | A | -0.6287 | |
| 942 | M | A | -0.0771 | |
| 943 | D | A | -1.9137 | |
| 944 | Q | A | 0.0000 | |
| 945 | L | A | -0.9143 | |
| 946 | Q | A | -1.5914 | |
| 947 | E | A | -1.3803 | |
| 948 | L | A | 0.0000 | |
| 949 | S | A | -0.5019 | |
| 950 | L | A | 0.2721 | |
| 951 | A | A | -1.0291 | |
| 952 | G | A | -1.6360 | |
| 953 | P | A | -1.3995 | |
| 954 | E | A | -2.3548 | |
| 955 | G | A | -1.9672 | |
| 956 | N | A | -2.2564 | |
| 957 | G | A | -1.5532 | |
| 958 | P | A | -1.2411 | |
| 959 | D | A | -2.0328 | |
| 960 | L | A | 0.0569 | |
| 961 | F | A | 0.2159 | |
| 962 | F | A | 0.6833 | |
| 963 | Q | A | -0.1466 | |
| 964 | P | A | -0.4952 | |
| 965 | H | A | -1.4030 | |
| 966 | D | A | -2.2690 | |
| 967 | Q | A | -1.6660 | |
| 968 | I | A | -1.0303 | |
| 969 | G | A | -1.1028 | |
| 970 | N | A | -1.8938 | |
| 971 | I | A | 0.0000 | |
| 972 | V | A | 0.0000 | |
| 973 | A | A | -1.0635 | |
| 974 | Q | A | -1.5097 | |
| 975 | G | A | -1.4508 | |
| 976 | L | A | -0.8085 | |
| 977 | A | A | -1.2076 | |
| 978 | D | A | -1.9668 | |
| 979 | P | A | -0.7469 | |
| 980 | L | A | 0.2647 | |
| 981 | T | A | -0.2631 | |
| 982 | L | A | -0.5663 | |
| 983 | S | A | -1.8577 | |
| 984 | D | A | -3.2313 | |
| 985 | D | A | -3.5720 | |
| 986 | E | A | -3.1428 | |
| 987 | L | A | -1.8059 | |
| 988 | S | A | -2.1159 | |
| 989 | N | A | -2.1278 | |
| 990 | Y | A | -0.2733 | |
| 991 | A | A | -0.1070 | |
| 992 | S | A | -0.7093 | |
| 993 | S | A | -0.5981 | |
| 994 | S | A | 0.0000 | |
| 995 | I | A | -0.3900 | |
| 996 | D | A | -1.8338 | |
| 997 | A | A | -1.0445 | |
| 998 | V | A | 0.0000 | |
| 999 | T | A | -0.7635 | |
| 1000 | Y | A | -1.2499 | |
| 1001 | E | A | -2.6110 | |
| 1002 | F | A | -1.8901 | |
| 1003 | E | A | -2.6910 | |
| 1004 | G | A | -2.5338 | |
| 1005 | E | A | -3.1004 | |
| 1006 | T | A | -2.1807 | |
| 1007 | D | A | -1.6650 | |
| 1008 | I | A | -0.3476 | |
| 1009 | Y | A | -0.0059 | |
| 1010 | G | A | 0.5562 | |
| 1011 | I | A | 1.5615 | |
| 1012 | P | A | 0.0000 | |
| 1013 | A | A | 1.6790 | |
| 1014 | V | A | 2.4357 | |
| 1015 | I | A | 2.0068 | |
| 1016 | E | A | -0.4901 | |
| 1017 | T | A | 0.2662 | |
| 1018 | Y | A | 1.0642 | |
| 1019 | G | A | 0.8787 | |
| 1020 | I | A | 2.3608 | |
| 1021 | F | A | 2.2811 | |
| 1022 | Y | A | 0.7512 | |
| 1023 | N | A | -1.0646 | |
| 1024 | K | A | -2.2085 | |
| 1025 | E | A | -1.9421 | |
| 1026 | I | A | 0.4861 | |
| 1027 | V | A | -0.2167 | |
| 1028 | P | A | -1.5168 | |
| 1029 | E | A | -2.3602 | |
| 1030 | A | A | -1.0158 | |
| 1031 | P | A | -0.9618 | |
| 1032 | E | A | -1.7731 | |
| 1033 | T | A | -0.2613 | |
| 1034 | I | A | 1.0691 | |
| 1035 | R | A | -0.4359 | |
| 1036 | I | A | 1.0269 | |
| 1037 | R | A | -0.8114 | |
| 1038 | S | A | -0.2531 | |
| 1039 | L | A | 0.8735 | |
| 1040 | G | A | -0.3335 | |
| 1041 | G | A | -0.2474 | |
| 1042 | S | A | -0.2255 | |
| 1043 | G | A | -0.2373 | |
| 1044 | V | A | 0.3670 | |
| 1045 | E | A | -1.9717 | |
| 1046 | H | A | -2.3467 | |
| 1047 | H | A | -2.6290 | |
| 1048 | H | A | -2.7100 | |
| 1049 | H | A | -2.6215 | |
| 1050 | H | A | -2.5681 | |
| 1051 | H | A | -2.0568 |
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 partially or entirely disordered. Average score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.482 | 7.7568 | View | CSV | PDB |
| 4.5 | -0.5641 | 7.7568 | View | CSV | PDB |
| 5.0 | -0.6651 | 7.7568 | View | CSV | PDB |
| 5.5 | -0.7639 | 7.7568 | View | CSV | PDB |
| 6.0 | -0.8384 | 7.7568 | View | CSV | PDB |
| 6.5 | -0.8748 | 7.7568 | View | CSV | PDB |
| 7.0 | -0.8759 | 7.7568 | View | CSV | PDB |
| 7.5 | -0.8548 | 7.7568 | View | CSV | PDB |
| 8.0 | -0.8223 | 7.7568 | View | CSV | PDB |
| 8.5 | -0.7819 | 7.7568 | View | CSV | PDB |
| 9.0 | -0.733 | 7.7568 | 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