| Chain sequence(s) |
A: MSDQEAKPSTEDLGDKKEGEYIKLKVIGQDSSEIHFKVKMTTHLKKLKESYCQRQGVPMNSLRFLFEGQRIADNHTPKELGMEEEDVIEVYQEQTGGHSTVDNSRLNWQVGNEYTYLVRSRTLTSLGDLSDVHTGILIKALLTVQAKDSNVLAAKVWNGQYARVQQSMPDGWETEISDQMLELRDLPISGKPFQIRMKHGLIRDLIVDRDVPTWEVNILKSIVGQLQVDTQGENAVKVNSVQVPTDDEPYASFKAMEDSVGGKCEVLYDIAPLSDFVIHRSPELVPMPTLKGDGRHMEVIKIKNFDNCDQRINYHFGMTDNSRLEPGTNKNGKFFSRSSTSRIVISESLKHFTIQSSVTTSKMMVSPRLYDRQNGLVLSRMNLTLAKMEKTSKPLPMVDNPESTGNLVYIYNNPFSDVEERRVSKTAMNSNQIVSDNSLSSSEEKLKQDILNLRTDISSSSSSISSSEENDFWQPKPTLEDAPQNSLLPNFVGYKGKHIGKSGKVDVINAAKELIFQIANELEDASNIPVHATLEKFMILCNLMRTMNRKQISELESNMQISPNELKPNDKSQVIKQNTWTVFRDAITQTGTGPAFLTIKEWIERGTTKSMEAANIMSKLPKTVRTPTDSYIRSFFELLQNPKVSNEQFLNTAATLSFCEMIHNAQVNKRSIHNNYPVHTFGRLTSKHDNSLYDEYIPFLERELRKAHQEKDSPRIQTYIMALGMIGEPKILSVFEPYLEGKQQMTVFQRTLMVGSLGKLTETNPKLARSVLYKIYLNTMESHEVRCTAVFLLMKTNPPLSMLQRMAEFTKLDTNRQVNSAVKSTIQSLMKLKSPEWKDLAKKARSVNHLLTHHEYDYEGGSGVEMVSKGEEDNMAIIKEFMRFKVHMEGSVNGHEFEIEGEGEGRPYEGTQTAKLKVTKGGPLPFAWDILSPQFMYGSKAYVKHPADIPDYLKLSFPEGFKWERVMNFEDGGVVTVTQDSSLQDGEFIYKVKLRGTNFPSDGPVMQKKTMGWEASSERMYPEDGALKGEIKQRLKLKDGGHYDAEVKTTYKAKKPVQLPGAYNVNIKLDITSHNEDYTIVEQYERAEGRHSTGGMDELYKGGSGVEHHHHHH
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] (00:00:05)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:05)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:05)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:05)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:10)
[INFO] FoldX: Starting FoldX energy minimization (00:00:10)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:27:05)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/e49e3fcee28d0be/tmp/folded.pdb (00:27:05)
[INFO] Main: Simulation completed successfully. (00:40:11)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | M | A | 0.3380 | |
| 2 | S | A | -1.1548 | |
| 3 | D | A | -2.6997 | |
| 4 | Q | A | -3.0938 | |
| 5 | E | A | -3.3961 | |
| 6 | A | A | -2.3137 | |
| 7 | K | A | -2.5191 | |
| 8 | P | A | -1.6656 | |
| 9 | S | A | -1.5551 | |
| 10 | T | A | -1.6515 | |
| 11 | E | A | -2.4510 | |
| 12 | D | A | -2.3422 | |
| 13 | L | A | -0.6761 | |
| 14 | G | A | -2.0772 | |
| 15 | D | A | -3.4511 | |
| 16 | K | A | -3.6815 | |
| 17 | K | A | -4.0273 | |
| 18 | E | A | -3.4071 | |
| 19 | G | A | -2.0743 | |
| 20 | E | A | -2.5510 | |
| 21 | Y | A | -1.1867 | |
| 22 | I | A | 0.0000 | |
| 23 | K | A | -2.9896 | |
| 24 | L | A | 0.0000 | |
| 25 | K | A | -1.7403 | |
| 26 | V | A | 0.0000 | |
| 27 | I | A | -0.7208 | |
| 28 | G | A | 0.0000 | |
| 29 | Q | A | -1.5833 | |
| 30 | D | A | -2.0315 | |
| 31 | S | A | -1.5025 | |
| 32 | S | A | -1.4254 | |
| 33 | E | A | -1.7342 | |
| 34 | I | A | -0.7803 | |
| 35 | H | A | -1.6759 | |
| 36 | F | A | 0.0000 | |
| 37 | K | A | -2.4628 | |
| 38 | V | A | 0.0000 | |
| 39 | K | A | -1.2899 | |
| 40 | M | A | 0.0000 | |
| 41 | T | A | -1.2427 | |
| 42 | T | A | -1.2101 | |
| 43 | H | A | -2.3342 | |
| 44 | L | A | 0.0000 | |
| 45 | K | A | -2.6678 | |
| 46 | K | A | -2.9996 | |
| 47 | L | A | 0.0000 | |
| 48 | K | A | 0.0000 | |
| 49 | E | A | -3.2738 | |
| 50 | S | A | -2.4831 | |
| 51 | Y | A | 0.0000 | |
| 52 | C | A | 0.0000 | |
| 53 | Q | A | -3.0016 | |
| 54 | R | A | -3.2315 | |
| 55 | Q | A | -2.6680 | |
| 56 | G | A | -1.9114 | |
| 57 | V | A | -1.3665 | |
| 58 | P | A | -1.0987 | |
| 59 | M | A | -1.3815 | |
| 60 | N | A | -1.5402 | |
| 61 | S | A | 0.0000 | |
| 62 | L | A | -0.7775 | |
| 63 | R | A | -0.8941 | |
| 64 | F | A | 0.0000 | |
| 65 | L | A | 0.0000 | |
| 66 | F | A | 0.0000 | |
| 67 | E | A | -1.3237 | |
| 68 | G | A | -1.1770 | |
| 69 | Q | A | -1.4103 | |
| 70 | R | A | -1.7503 | |
| 71 | I | A | 0.0000 | |
| 72 | A | A | -1.3695 | |
| 73 | D | A | -2.1240 | |
| 74 | N | A | -1.9747 | |
| 75 | H | A | -1.7812 | |
| 76 | T | A | -1.8531 | |
| 77 | P | A | 0.0000 | |
| 78 | K | A | -2.5844 | |
| 79 | E | A | -2.7788 | |
| 80 | L | A | 0.0000 | |
| 81 | G | A | -1.9747 | |
| 82 | M | A | 0.0000 | |
| 83 | E | A | -3.3167 | |
| 84 | E | A | -3.9079 | |
| 85 | E | A | -3.6714 | |
| 86 | D | A | -2.4468 | |
| 87 | V | A | -0.8420 | |
| 88 | I | A | 0.0000 | |
| 89 | E | A | -0.8124 | |
| 90 | V | A | 0.0000 | |
| 91 | Y | A | -0.5748 | |
| 92 | Q | A | -0.5795 | |
| 93 | E | A | -0.9482 | |
| 94 | Q | A | -1.0175 | |
| 95 | T | A | -1.1290 | |
| 96 | G | A | -1.3489 | |
| 97 | G | A | -1.4423 | |
| 98 | H | A | -1.1155 | |
| 99 | S | A | -0.8379 | |
| 100 | T | A | -0.3709 | |
| 101 | V | A | 0.1581 | |
| 102 | D | A | -1.6716 | |
| 103 | N | A | -1.6978 | |
| 104 | S | A | -1.3251 | |
| 105 | R | A | -1.2514 | |
| 106 | L | A | -1.1020 | |
| 107 | N | A | -0.8306 | |
| 108 | W | A | 0.0000 | |
| 109 | Q | A | -1.4928 | |
| 110 | V | A | -0.7217 | |
| 111 | G | A | -1.3883 | |
| 112 | N | A | 0.0000 | |
| 113 | E | A | -2.1931 | |
| 114 | Y | A | 0.0000 | |
| 115 | T | A | -0.7746 | |
| 116 | Y | A | 0.0000 | |
| 117 | L | A | 0.1571 | |
| 118 | V | A | 0.0000 | |
| 119 | R | A | -0.6899 | |
| 120 | S | A | -0.4017 | |
| 121 | R | A | -0.6147 | |
| 122 | T | A | -0.1866 | |
| 123 | L | A | 0.0000 | |
| 124 | T | A | 0.5123 | |
| 125 | S | A | 0.2273 | |
| 126 | L | A | 0.2632 | |
| 127 | G | A | -0.9770 | |
| 128 | D | A | -2.1636 | |
| 129 | L | A | -0.5236 | |
| 130 | S | A | -0.5755 | |
| 131 | D | A | -1.8112 | |
| 132 | V | A | -0.1724 | |
| 133 | H | A | 0.0000 | |
| 134 | T | A | -0.6400 | |
| 135 | G | A | -0.5408 | |
| 136 | I | A | -0.0494 | |
| 137 | L | A | 0.0000 | |
| 138 | I | A | -0.3639 | |
| 139 | K | A | -0.9019 | |
| 140 | A | A | 0.0000 | |
| 141 | L | A | -0.0464 | |
| 142 | L | A | 0.0000 | |
| 143 | T | A | 0.0000 | |
| 144 | V | A | 0.0000 | |
| 145 | Q | A | 0.0000 | |
| 146 | A | A | 0.0000 | |
| 147 | K | A | -1.7678 | |
| 148 | D | A | -2.1157 | |
| 149 | S | A | -1.6014 | |
| 150 | N | A | -1.4799 | |
| 151 | V | A | -0.8617 | |
| 152 | L | A | 0.0000 | |
| 153 | A | A | 0.0000 | |
| 154 | A | A | 0.0000 | |
| 155 | K | A | -0.4629 | |
| 156 | V | A | 0.0000 | |
| 157 | W | A | -0.3682 | |
| 158 | N | A | -1.4432 | |
| 159 | G | A | 0.0000 | |
| 160 | Q | A | -1.8282 | |
| 161 | Y | A | -1.1950 | |
| 162 | A | A | 0.0000 | |
| 163 | R | A | -2.2710 | |
| 164 | V | A | 0.0000 | |
| 165 | Q | A | -1.5336 | |
| 166 | Q | A | -1.0989 | |
| 167 | S | A | -1.0644 | |
| 168 | M | A | 0.0000 | |
| 169 | P | A | -1.8072 | |
| 170 | D | A | -2.8729 | |
| 171 | G | A | -2.1822 | |
| 172 | W | A | 0.0000 | |
| 173 | E | A | -2.8040 | |
| 174 | T | A | -2.3812 | |
| 175 | E | A | -2.5896 | |
| 176 | I | A | -1.2566 | |
| 177 | S | A | -1.0609 | |
| 178 | D | A | -1.8017 | |
| 179 | Q | A | -1.4519 | |
| 180 | M | A | -0.1986 | |
| 181 | L | A | -1.4924 | |
| 182 | E | A | -2.4803 | |
| 183 | L | A | -2.1323 | |
| 184 | R | A | -3.1091 | |
| 185 | D | A | -2.8031 | |
| 186 | L | A | -1.3350 | |
| 187 | P | A | -0.8858 | |
| 188 | I | A | -0.3618 | |
| 189 | S | A | -0.6535 | |
| 190 | G | A | -0.5684 | |
| 191 | K | A | -1.1003 | |
| 192 | P | A | -0.5665 | |
| 193 | F | A | 0.0000 | |
| 194 | Q | A | -0.1718 | |
| 195 | I | A | 0.0000 | |
| 196 | R | A | -0.9139 | |
| 197 | M | A | 0.0000 | |
| 198 | K | A | -1.4895 | |
| 199 | H | A | -1.2428 | |
| 200 | G | A | 0.0000 | |
| 201 | L | A | 0.0000 | |
| 202 | I | A | 0.0000 | |
| 203 | R | A | -1.1223 | |
| 204 | D | A | 0.0000 | |
| 205 | L | A | 0.0000 | |
| 206 | I | A | -0.3604 | |
| 207 | V | A | 0.0000 | |
| 208 | D | A | 0.0000 | |
| 209 | R | A | -2.3769 | |
| 210 | D | A | -2.7375 | |
| 211 | V | A | 0.0000 | |
| 212 | P | A | -1.0331 | |
| 213 | T | A | 0.0000 | |
| 214 | W | A | 0.0936 | |
| 215 | E | A | 0.0000 | |
| 216 | V | A | 0.0000 | |
| 217 | N | A | 0.0000 | |
| 218 | I | A | 0.5358 | |
| 219 | L | A | 0.0000 | |
| 220 | K | A | 0.0000 | |
| 221 | S | A | 0.2476 | |
| 222 | I | A | 0.0000 | |
| 223 | V | A | 0.0000 | |
| 224 | G | A | -0.0316 | |
| 225 | Q | A | -0.1897 | |
| 226 | L | A | 0.0000 | |
| 227 | Q | A | 0.0000 | |
| 228 | V | A | 0.0000 | |
| 229 | D | A | 0.0000 | |
| 230 | T | A | 0.0000 | |
| 231 | Q | A | -0.7688 | |
| 232 | G | A | -0.6055 | |
| 233 | E | A | -1.0234 | |
| 234 | N | A | -1.1322 | |
| 235 | A | A | -0.5264 | |
| 236 | V | A | -0.7110 | |
| 237 | K | A | -1.2502 | |
| 238 | V | A | -0.6039 | |
| 239 | N | A | -1.1802 | |
| 240 | S | A | -0.6858 | |
| 241 | V | A | -0.2666 | |
| 242 | Q | A | -0.2345 | |
| 243 | V | A | 0.3467 | |
| 244 | P | A | 0.0000 | |
| 245 | T | A | -1.6498 | |
| 246 | D | A | -3.0451 | |
| 247 | D | A | -3.1064 | |
| 248 | E | A | -2.0945 | |
| 249 | P | A | -1.0409 | |
| 250 | Y | A | 0.1122 | |
| 251 | A | A | 0.0000 | |
| 252 | S | A | -0.2850 | |
| 253 | F | A | 0.0000 | |
| 254 | K | A | -0.5336 | |
| 255 | A | A | 0.0000 | |
| 256 | M | A | 0.0000 | |
| 257 | E | A | 0.0000 | |
| 258 | D | A | 0.0000 | |
| 259 | S | A | -0.0162 | |
| 260 | V | A | 0.5892 | |
| 261 | G | A | -0.1214 | |
| 262 | G | A | 0.0000 | |
| 263 | K | A | -0.5965 | |
| 264 | C | A | 0.0000 | |
| 265 | E | A | 0.0000 | |
| 266 | V | A | 0.0000 | |
| 267 | L | A | 0.1531 | |
| 268 | Y | A | 0.0000 | |
| 269 | D | A | -0.9177 | |
| 270 | I | A | 0.0000 | |
| 271 | A | A | -0.0735 | |
| 272 | P | A | -0.5546 | |
| 273 | L | A | 0.0000 | |
| 274 | S | A | -0.4686 | |
| 275 | D | A | -1.3794 | |
| 276 | F | A | 0.4805 | |
| 277 | V | A | -0.0930 | |
| 278 | I | A | -1.0834 | |
| 279 | H | A | -1.7657 | |
| 280 | R | A | -2.1545 | |
| 281 | S | A | -1.6607 | |
| 282 | P | A | -1.7975 | |
| 283 | E | A | -2.2827 | |
| 284 | L | A | 0.0000 | |
| 285 | V | A | 0.0000 | |
| 286 | P | A | -0.8655 | |
| 287 | M | A | -0.4855 | |
| 288 | P | A | -0.5695 | |
| 289 | T | A | -0.6574 | |
| 290 | L | A | -0.9080 | |
| 291 | K | A | -2.2532 | |
| 292 | G | A | -2.2173 | |
| 293 | D | A | -2.7726 | |
| 294 | G | A | -2.5244 | |
| 295 | R | A | -2.6035 | |
| 296 | H | A | 0.0000 | |
| 297 | M | A | 0.0000 | |
| 298 | E | A | -0.5063 | |
| 299 | V | A | 0.0000 | |
| 300 | I | A | -0.0710 | |
| 301 | K | A | 0.0000 | |
| 302 | I | A | 0.4719 | |
| 303 | K | A | -0.3233 | |
| 304 | N | A | -0.8936 | |
| 305 | F | A | 0.0000 | |
| 306 | D | A | -2.5763 | |
| 307 | N | A | -1.6221 | |
| 308 | C | A | 0.0000 | |
| 309 | D | A | -1.1158 | |
| 310 | Q | A | -1.3130 | |
| 311 | R | A | -1.0495 | |
| 312 | I | A | -0.3977 | |
| 313 | N | A | -0.8332 | |
| 314 | Y | A | -0.3186 | |
| 315 | H | A | 0.0000 | |
| 316 | F | A | 0.1414 | |
| 317 | G | A | -0.6720 | |
| 318 | M | A | -0.5664 | |
| 319 | T | A | -1.2838 | |
| 320 | D | A | -2.2303 | |
| 321 | N | A | -2.1361 | |
| 322 | S | A | -2.5914 | |
| 323 | R | A | -2.8459 | |
| 324 | L | A | -2.0269 | |
| 325 | E | A | -2.4215 | |
| 326 | P | A | 0.0000 | |
| 327 | G | A | 0.0000 | |
| 328 | T | A | -1.9423 | |
| 329 | N | A | -2.0428 | |
| 330 | K | A | -2.5926 | |
| 331 | N | A | 0.0000 | |
| 332 | G | A | -1.6418 | |
| 333 | K | A | -1.6376 | |
| 334 | F | A | -0.6523 | |
| 335 | F | A | -0.5116 | |
| 336 | S | A | -1.0557 | |
| 337 | R | A | -1.2267 | |
| 338 | S | A | -0.8065 | |
| 339 | S | A | 0.0000 | |
| 340 | T | A | 0.0117 | |
| 341 | S | A | -0.0386 | |
| 342 | R | A | -0.3771 | |
| 343 | I | A | 0.0000 | |
| 344 | V | A | 0.0000 | |
| 345 | I | A | 0.0000 | |
| 346 | S | A | 0.0000 | |
| 347 | E | A | -2.4547 | |
| 348 | S | A | -1.8553 | |
| 349 | L | A | -1.1640 | |
| 350 | K | A | -1.4143 | |
| 351 | H | A | -1.1906 | |
| 352 | F | A | 0.0000 | |
| 353 | T | A | -0.4992 | |
| 354 | I | A | 0.0000 | |
| 355 | Q | A | 0.0000 | |
| 356 | S | A | 0.0000 | |
| 357 | S | A | 0.0000 | |
| 358 | V | A | -0.2076 | |
| 359 | T | A | -0.1543 | |
| 360 | T | A | -0.4595 | |
| 361 | S | A | -0.5856 | |
| 362 | K | A | -0.6857 | |
| 363 | M | A | -0.0903 | |
| 364 | M | A | 0.1678 | |
| 365 | V | A | 0.1701 | |
| 366 | S | A | -0.8799 | |
| 367 | P | A | -1.1519 | |
| 368 | R | A | -1.7612 | |
| 369 | L | A | -0.0301 | |
| 370 | Y | A | 0.2923 | |
| 371 | D | A | -1.4654 | |
| 372 | R | A | -2.5872 | |
| 373 | Q | A | -2.0220 | |
| 374 | N | A | -1.3167 | |
| 375 | G | A | -0.0063 | |
| 376 | L | A | 0.3722 | |
| 377 | V | A | 0.5346 | |
| 378 | L | A | 0.0000 | |
| 379 | S | A | -0.3276 | |
| 380 | R | A | -1.0602 | |
| 381 | M | A | -0.4591 | |
| 382 | N | A | -0.4469 | |
| 383 | L | A | 0.0000 | |
| 384 | T | A | 0.0000 | |
| 385 | L | A | 0.0000 | |
| 386 | A | A | -0.5638 | |
| 387 | K | A | -2.0044 | |
| 388 | M | A | -1.8934 | |
| 389 | E | A | -3.1480 | |
| 390 | K | A | -3.0428 | |
| 391 | T | A | -2.0339 | |
| 392 | S | A | -1.9295 | |
| 393 | K | A | -2.1902 | |
| 394 | P | A | -1.3688 | |
| 395 | L | A | -0.6219 | |
| 396 | P | A | -0.3371 | |
| 397 | M | A | 0.1202 | |
| 398 | V | A | 0.0000 | |
| 399 | D | A | -2.6339 | |
| 400 | N | A | -2.6825 | |
| 401 | P | A | -1.6988 | |
| 402 | E | A | -1.2430 | |
| 403 | S | A | -0.2274 | |
| 404 | T | A | 0.0000 | |
| 405 | G | A | 0.0000 | |
| 406 | N | A | -0.4373 | |
| 407 | L | A | 0.0000 | |
| 408 | V | A | 0.0000 | |
| 409 | Y | A | 0.6799 | |
| 410 | I | A | 0.0000 | |
| 411 | Y | A | 0.1354 | |
| 412 | N | A | 0.0000 | |
| 413 | N | A | -0.7290 | |
| 414 | P | A | 0.0000 | |
| 415 | F | A | -0.1863 | |
| 416 | S | A | -0.7851 | |
| 417 | D | A | -1.4514 | |
| 418 | V | A | -0.0648 | |
| 419 | E | A | -1.5537 | |
| 420 | E | A | -2.0810 | |
| 421 | R | A | 0.0000 | |
| 422 | R | A | -1.9206 | |
| 423 | V | A | -0.9180 | |
| 424 | S | A | -1.0964 | |
| 425 | K | A | -1.7073 | |
| 426 | T | A | -1.0950 | |
| 427 | A | A | -0.7425 | |
| 428 | M | A | -0.8251 | |
| 429 | N | A | -1.7227 | |
| 430 | S | A | -1.0536 | |
| 431 | N | A | -0.3353 | |
| 432 | Q | A | -0.1136 | |
| 433 | I | A | 1.8185 | |
| 434 | V | A | 1.4527 | |
| 435 | S | A | -0.2086 | |
| 436 | D | A | -1.5018 | |
| 437 | N | A | -1.5920 | |
| 438 | S | A | -0.7492 | |
| 439 | L | A | 0.6097 | |
| 440 | S | A | -0.0832 | |
| 441 | S | A | -0.8939 | |
| 442 | S | A | -1.8418 | |
| 443 | E | A | -3.2975 | |
| 444 | E | A | -3.7345 | |
| 445 | K | A | -3.0771 | |
| 446 | L | A | -1.3264 | |
| 447 | K | A | -2.3461 | |
| 448 | Q | A | -2.2239 | |
| 449 | D | A | -1.1669 | |
| 450 | I | A | 1.0961 | |
| 451 | L | A | 0.7732 | |
| 452 | N | A | -0.2834 | |
| 453 | L | A | 0.3447 | |
| 454 | R | A | -0.9279 | |
| 455 | T | A | -0.9530 | |
| 456 | D | A | -1.1611 | |
| 457 | I | A | 0.5461 | |
| 458 | S | A | 0.0285 | |
| 459 | S | A | -0.2562 | |
| 460 | S | A | -0.2918 | |
| 461 | S | A | -0.2711 | |
| 462 | S | A | 0.0842 | |
| 463 | S | A | 0.4232 | |
| 464 | I | A | 1.6750 | |
| 465 | S | A | 0.1720 | |
| 466 | S | A | -0.6881 | |
| 467 | S | A | -1.6020 | |
| 468 | E | A | -3.0944 | |
| 469 | E | A | -2.3985 | |
| 470 | N | A | -2.2866 | |
| 471 | D | A | -2.8409 | |
| 472 | F | A | -1.2688 | |
| 473 | W | A | -0.8755 | |
| 474 | Q | A | -0.8425 | |
| 475 | P | A | -0.9379 | |
| 476 | K | A | -1.2081 | |
| 477 | P | A | 0.0000 | |
| 478 | T | A | -1.3002 | |
| 479 | L | A | -1.4473 | |
| 480 | E | A | -3.1596 | |
| 481 | D | A | -2.8557 | |
| 482 | A | A | 0.0000 | |
| 483 | P | A | 0.0000 | |
| 484 | Q | A | -0.5005 | |
| 485 | N | A | 0.0000 | |
| 486 | S | A | 0.0000 | |
| 487 | L | A | 0.4359 | |
| 488 | L | A | 0.0000 | |
| 489 | P | A | -0.0794 | |
| 490 | N | A | -0.1108 | |
| 491 | F | A | 0.0000 | |
| 492 | V | A | 0.0160 | |
| 493 | G | A | -0.5431 | |
| 494 | Y | A | -0.5223 | |
| 495 | K | A | -1.4851 | |
| 496 | G | A | 0.0000 | |
| 497 | K | A | 0.0000 | |
| 498 | H | A | -0.3564 | |
| 499 | I | A | -0.5972 | |
| 500 | G | A | -0.9366 | |
| 501 | K | A | -1.5495 | |
| 502 | S | A | -1.3544 | |
| 503 | G | A | -1.6063 | |
| 504 | K | A | -2.1114 | |
| 505 | V | A | -1.3426 | |
| 506 | D | A | -2.3341 | |
| 507 | V | A | 0.0000 | |
| 508 | I | A | -1.4555 | |
| 509 | N | A | -2.2130 | |
| 510 | A | A | -1.3402 | |
| 511 | A | A | 0.0000 | |
| 512 | K | A | -1.7896 | |
| 513 | E | A | -2.1800 | |
| 514 | L | A | -1.0265 | |
| 515 | I | A | 0.0000 | |
| 516 | F | A | -0.7805 | |
| 517 | Q | A | -1.5001 | |
| 518 | I | A | 0.0000 | |
| 519 | A | A | 0.0000 | |
| 520 | N | A | -1.7100 | |
| 521 | E | A | 0.0000 | |
| 522 | L | A | -0.7881 | |
| 523 | E | A | -2.1246 | |
| 524 | D | A | -1.9210 | |
| 525 | A | A | -0.8847 | |
| 526 | S | A | -0.6008 | |
| 527 | N | A | -0.4190 | |
| 528 | I | A | 0.0907 | |
| 529 | P | A | 0.4455 | |
| 530 | V | A | 1.2931 | |
| 531 | H | A | -0.0530 | |
| 532 | A | A | 0.1286 | |
| 533 | T | A | 0.0000 | |
| 534 | L | A | 0.8969 | |
| 535 | E | A | -0.6941 | |
| 536 | K | A | -0.1534 | |
| 537 | F | A | 0.4985 | |
| 538 | M | A | 0.8295 | |
| 539 | I | A | 1.0648 | |
| 540 | L | A | 0.0000 | |
| 541 | C | A | 0.0000 | |
| 542 | N | A | 0.2118 | |
| 543 | L | A | 0.0000 | |
| 544 | M | A | 0.0000 | |
| 545 | R | A | 0.0000 | |
| 546 | T | A | 0.0000 | |
| 547 | M | A | 0.0000 | |
| 548 | N | A | -2.8036 | |
| 549 | R | A | -3.6015 | |
| 550 | K | A | -3.4830 | |
| 551 | Q | A | -2.2341 | |
| 552 | I | A | 0.0000 | |
| 553 | S | A | -1.9599 | |
| 554 | E | A | -2.1262 | |
| 555 | L | A | 0.0000 | |
| 556 | E | A | -1.5171 | |
| 557 | S | A | -1.4216 | |
| 558 | N | A | -1.6561 | |
| 559 | M | A | 0.0000 | |
| 560 | Q | A | -1.6078 | |
| 561 | I | A | -1.3624 | |
| 562 | S | A | -1.5407 | |
| 563 | P | A | -1.7889 | |
| 564 | N | A | -2.5938 | |
| 565 | E | A | -2.9001 | |
| 566 | L | A | -2.5541 | |
| 567 | K | A | -3.3797 | |
| 568 | P | A | -2.3234 | |
| 569 | N | A | -2.6112 | |
| 570 | D | A | -2.6910 | |
| 571 | K | A | -2.6560 | |
| 572 | S | A | -1.5985 | |
| 573 | Q | A | -1.8215 | |
| 574 | V | A | -1.3192 | |
| 575 | I | A | -0.5037 | |
| 576 | K | A | -1.3492 | |
| 577 | Q | A | -1.3520 | |
| 578 | N | A | -0.6240 | |
| 579 | T | A | 0.0000 | |
| 580 | W | A | 0.0000 | |
| 581 | T | A | -0.5175 | |
| 582 | V | A | 0.0000 | |
| 583 | F | A | 0.0000 | |
| 584 | R | A | -0.7414 | |
| 585 | D | A | -0.8652 | |
| 586 | A | A | 0.0000 | |
| 587 | I | A | 0.0000 | |
| 588 | T | A | 0.0000 | |
| 589 | Q | A | -0.9007 | |
| 590 | T | A | 0.0000 | |
| 591 | G | A | 0.0000 | |
| 592 | T | A | 0.0000 | |
| 593 | G | A | 0.0000 | |
| 594 | P | A | 0.0000 | |
| 595 | A | A | 0.0000 | |
| 596 | F | A | 0.0000 | |
| 597 | L | A | -0.7249 | |
| 598 | T | A | 0.0000 | |
| 599 | I | A | 0.0000 | |
| 600 | K | A | -1.4150 | |
| 601 | E | A | -2.0012 | |
| 602 | W | A | 0.0000 | |
| 603 | I | A | 0.0000 | |
| 604 | E | A | -3.0897 | |
| 605 | R | A | -3.1281 | |
| 606 | G | A | -2.4150 | |
| 607 | T | A | -1.8087 | |
| 608 | T | A | 0.0000 | |
| 609 | K | A | -2.4982 | |
| 610 | S | A | -0.5633 | |
| 611 | M | A | 0.3826 | |
| 612 | E | A | -0.9927 | |
| 613 | A | A | 0.0000 | |
| 614 | A | A | 0.0000 | |
| 615 | N | A | -1.3363 | |
| 616 | I | A | 0.0000 | |
| 617 | M | A | 0.0000 | |
| 618 | S | A | -1.1309 | |
| 619 | K | A | -1.6593 | |
| 620 | L | A | 0.0000 | |
| 621 | P | A | 0.0000 | |
| 622 | K | A | -1.8772 | |
| 623 | T | A | -1.0880 | |
| 624 | V | A | 0.0000 | |
| 625 | R | A | -0.4438 | |
| 626 | T | A | 0.0000 | |
| 627 | P | A | 0.0000 | |
| 628 | T | A | 0.0000 | |
| 629 | D | A | -1.1040 | |
| 630 | S | A | -0.8433 | |
| 631 | Y | A | 0.0000 | |
| 632 | I | A | 0.0000 | |
| 633 | R | A | -2.5094 | |
| 634 | S | A | 0.0000 | |
| 635 | F | A | 0.0000 | |
| 636 | F | A | 0.0000 | |
| 637 | E | A | -2.7147 | |
| 638 | L | A | 0.0000 | |
| 639 | L | A | 0.0000 | |
| 640 | Q | A | -2.2258 | |
| 641 | N | A | -2.0984 | |
| 642 | P | A | -1.8399 | |
| 643 | K | A | -2.7500 | |
| 644 | V | A | 0.0000 | |
| 645 | S | A | -1.3963 | |
| 646 | N | A | -1.8966 | |
| 647 | E | A | -1.0657 | |
| 648 | Q | A | -0.0867 | |
| 649 | F | A | 1.4905 | |
| 650 | L | A | 0.0000 | |
| 651 | N | A | 0.0000 | |
| 652 | T | A | 0.4213 | |
| 653 | A | A | 0.2954 | |
| 654 | A | A | 0.0000 | |
| 655 | T | A | 0.0000 | |
| 656 | L | A | 0.1711 | |
| 657 | S | A | 0.0000 | |
| 658 | F | A | 0.0000 | |
| 659 | C | A | 0.0000 | |
| 660 | E | A | -0.7394 | |
| 661 | M | A | 0.0000 | |
| 662 | I | A | 0.0000 | |
| 663 | H | A | 0.0000 | |
| 664 | N | A | -1.0560 | |
| 665 | A | A | 0.0000 | |
| 666 | Q | A | -0.6729 | |
| 667 | V | A | 0.0000 | |
| 668 | N | A | 0.0000 | |
| 669 | K | A | -2.3695 | |
| 670 | R | A | -3.2317 | |
| 671 | S | A | 0.0000 | |
| 672 | I | A | 0.0000 | |
| 673 | H | A | -1.5493 | |
| 674 | N | A | 0.0000 | |
| 675 | N | A | -0.7722 | |
| 676 | Y | A | 0.0000 | |
| 677 | P | A | 0.0000 | |
| 678 | V | A | 0.0000 | |
| 679 | H | A | -0.7324 | |
| 680 | T | A | -0.2489 | |
| 681 | F | A | 0.0000 | |
| 682 | G | A | 0.0000 | |
| 683 | R | A | -0.7634 | |
| 684 | L | A | 0.0000 | |
| 685 | T | A | 0.0000 | |
| 686 | S | A | -1.1951 | |
| 687 | K | A | -1.9671 | |
| 688 | H | A | -2.0998 | |
| 689 | D | A | -1.8745 | |
| 690 | N | A | -2.3372 | |
| 691 | S | A | 0.0000 | |
| 692 | L | A | 0.0000 | |
| 693 | Y | A | -1.4148 | |
| 694 | D | A | -2.7087 | |
| 695 | E | A | -2.7600 | |
| 696 | Y | A | 0.0000 | |
| 697 | I | A | 0.0000 | |
| 698 | P | A | -1.7866 | |
| 699 | F | A | -1.6747 | |
| 700 | L | A | 0.0000 | |
| 701 | E | A | -2.4638 | |
| 702 | R | A | -3.1782 | |
| 703 | E | A | -2.5222 | |
| 704 | L | A | 0.0000 | |
| 705 | R | A | -3.5087 | |
| 706 | K | A | -4.1807 | |
| 707 | A | A | 0.0000 | |
| 708 | H | A | -3.4061 | |
| 709 | Q | A | -3.5981 | |
| 710 | E | A | -4.0364 | |
| 711 | K | A | -3.6647 | |
| 712 | D | A | -2.6353 | |
| 713 | S | A | -1.4062 | |
| 714 | P | A | -0.7969 | |
| 715 | R | A | -1.3829 | |
| 716 | I | A | 0.0000 | |
| 717 | Q | A | -0.3034 | |
| 718 | T | A | 0.0000 | |
| 719 | Y | A | 0.0000 | |
| 720 | I | A | 0.0000 | |
| 721 | M | A | 0.3067 | |
| 722 | A | A | 0.0000 | |
| 723 | L | A | 0.0000 | |
| 724 | G | A | 0.0000 | |
| 725 | M | A | -0.0987 | |
| 726 | I | A | 0.0000 | |
| 727 | G | A | 0.0000 | |
| 728 | E | A | -0.6073 | |
| 729 | P | A | -0.6345 | |
| 730 | K | A | -0.9143 | |
| 731 | I | A | 0.0000 | |
| 732 | L | A | 0.0000 | |
| 733 | S | A | -1.2453 | |
| 734 | V | A | 0.0000 | |
| 735 | F | A | 0.0000 | |
| 736 | E | A | -2.2557 | |
| 737 | P | A | -1.8816 | |
| 738 | Y | A | 0.0000 | |
| 739 | L | A | -1.2862 | |
| 740 | E | A | -1.8280 | |
| 741 | G | A | -1.7737 | |
| 742 | K | A | -2.3141 | |
| 743 | Q | A | -2.1018 | |
| 744 | Q | A | -1.6987 | |
| 745 | M | A | -0.5158 | |
| 746 | T | A | 0.7237 | |
| 747 | V | A | 1.5667 | |
| 748 | F | A | 1.8663 | |
| 749 | Q | A | 0.0000 | |
| 750 | R | A | 0.5057 | |
| 751 | T | A | 0.6730 | |
| 752 | L | A | 0.6448 | |
| 753 | M | A | 0.0000 | |
| 754 | V | A | 0.0000 | |
| 755 | G | A | -0.1240 | |
| 756 | S | A | -0.1170 | |
| 757 | L | A | 0.0000 | |
| 758 | G | A | -1.0488 | |
| 759 | K | A | -1.5354 | |
| 760 | L | A | 0.0000 | |
| 761 | T | A | -2.0430 | |
| 762 | E | A | -2.5801 | |
| 763 | T | A | -1.9029 | |
| 764 | N | A | -1.5187 | |
| 765 | P | A | -2.1015 | |
| 766 | K | A | -2.1176 | |
| 767 | L | A | -0.7761 | |
| 768 | A | A | 0.0000 | |
| 769 | R | A | -1.3560 | |
| 770 | S | A | -0.8246 | |
| 771 | V | A | -0.7012 | |
| 772 | L | A | 0.0000 | |
| 773 | Y | A | -0.6045 | |
| 774 | K | A | -1.4622 | |
| 775 | I | A | 0.0000 | |
| 776 | Y | A | 0.0000 | |
| 777 | L | A | 0.0000 | |
| 778 | N | A | -0.4022 | |
| 779 | T | A | -0.3595 | |
| 780 | M | A | -0.1553 | |
| 781 | E | A | 0.0000 | |
| 782 | S | A | 0.2864 | |
| 783 | H | A | 0.0000 | |
| 784 | E | A | 0.0156 | |
| 785 | V | A | 0.0000 | |
| 786 | R | A | 0.0000 | |
| 787 | C | A | 0.0000 | |
| 788 | T | A | 0.0662 | |
| 789 | A | A | 0.0000 | |
| 790 | V | A | 0.0000 | |
| 791 | F | A | 0.3106 | |
| 792 | L | A | -0.3802 | |
| 793 | L | A | 0.0000 | |
| 794 | M | A | 0.0000 | |
| 795 | K | A | -2.0741 | |
| 796 | T | A | 0.0000 | |
| 797 | N | A | -1.9131 | |
| 798 | P | A | 0.0000 | |
| 799 | P | A | -0.2639 | |
| 800 | L | A | -0.3422 | |
| 801 | S | A | -0.5485 | |
| 802 | M | A | -0.7230 | |
| 803 | L | A | 0.0000 | |
| 804 | Q | A | -1.7889 | |
| 805 | R | A | -2.3179 | |
| 806 | M | A | 0.0000 | |
| 807 | A | A | 0.0000 | |
| 808 | E | A | -2.3266 | |
| 809 | F | A | 0.0000 | |
| 810 | T | A | 0.0000 | |
| 811 | K | A | -1.8088 | |
| 812 | L | A | -0.1794 | |
| 813 | D | A | 0.0000 | |
| 814 | T | A | -0.9275 | |
| 815 | N | A | -1.3027 | |
| 816 | R | A | -1.6639 | |
| 817 | Q | A | -1.2152 | |
| 818 | V | A | 0.0000 | |
| 819 | N | A | 0.0000 | |
| 820 | S | A | 0.0000 | |
| 821 | A | A | 0.0000 | |
| 822 | V | A | 0.0000 | |
| 823 | K | A | -0.9436 | |
| 824 | S | A | -0.8515 | |
| 825 | T | A | -0.3372 | |
| 826 | I | A | 0.0000 | |
| 827 | Q | A | -1.7184 | |
| 828 | S | A | -1.1895 | |
| 829 | L | A | 0.0000 | |
| 830 | M | A | -2.3803 | |
| 831 | K | A | -2.6221 | |
| 832 | L | A | -2.0817 | |
| 833 | K | A | -2.5948 | |
| 834 | S | A | -2.1424 | |
| 835 | P | A | -2.1857 | |
| 836 | E | A | -2.7767 | |
| 837 | W | A | -2.7731 | |
| 838 | K | A | -3.6318 | |
| 839 | D | A | -2.7467 | |
| 840 | L | A | 0.0000 | |
| 841 | A | A | 0.0000 | |
| 842 | K | A | -3.1966 | |
| 843 | K | A | -2.2003 | |
| 844 | A | A | 0.0000 | |
| 845 | R | A | -3.1893 | |
| 846 | S | A | -1.8136 | |
| 847 | V | A | 0.0000 | |
| 848 | N | A | -2.0312 | |
| 849 | H | A | -1.7750 | |
| 850 | L | A | -1.5173 | |
| 851 | L | A | -1.6915 | |
| 852 | T | A | 0.0000 | |
| 853 | H | A | -2.1921 | |
| 854 | H | A | -2.7423 | |
| 855 | E | A | -2.8904 | |
| 856 | Y | A | -2.2412 | |
| 857 | D | A | -2.5940 | |
| 858 | Y | A | -1.3975 | |
| 859 | E | A | -2.3221 | |
| 860 | G | A | -1.6016 | |
| 861 | G | A | -1.1909 | |
| 862 | S | A | -0.6422 | |
| 863 | G | A | -0.1085 | |
| 864 | V | A | 1.1562 | |
| 865 | E | A | -0.7280 | |
| 866 | M | A | -0.1183 | |
| 867 | V | A | 0.6657 | |
| 868 | S | A | -0.9040 | |
| 869 | K | A | -2.3083 | |
| 870 | G | A | -1.9066 | |
| 871 | E | A | -2.7174 | |
| 872 | E | A | -3.0006 | |
| 873 | D | A | -2.0531 | |
| 874 | N | A | -1.1714 | |
| 875 | M | A | -1.0553 | |
| 876 | A | A | -0.7445 | |
| 877 | I | A | 0.2033 | |
| 878 | I | A | 0.0000 | |
| 879 | K | A | -2.1072 | |
| 880 | E | A | -2.2188 | |
| 881 | F | A | -1.0957 | |
| 882 | M | A | 0.0000 | |
| 883 | R | A | -3.2795 | |
| 884 | F | A | 0.0000 | |
| 885 | K | A | -3.0579 | |
| 886 | V | A | 0.0000 | |
| 887 | H | A | -2.4967 | |
| 888 | M | A | 0.0000 | |
| 889 | E | A | -3.2857 | |
| 890 | G | A | 0.0000 | |
| 891 | S | A | -2.4842 | |
| 892 | V | A | 0.0000 | |
| 893 | N | A | -1.8374 | |
| 894 | G | A | -1.8267 | |
| 895 | H | A | -1.9015 | |
| 896 | E | A | -3.1569 | |
| 897 | F | A | 0.0000 | |
| 898 | E | A | -2.9360 | |
| 899 | I | A | 0.0000 | |
| 900 | E | A | -2.8860 | |
| 901 | G | A | -2.3842 | |
| 902 | E | A | -3.5484 | |
| 903 | G | A | 0.0000 | |
| 904 | E | A | -2.7797 | |
| 905 | G | A | 0.0000 | |
| 906 | R | A | -2.6431 | |
| 907 | P | A | 0.0000 | |
| 908 | Y | A | -1.6704 | |
| 909 | E | A | -2.6150 | |
| 910 | G | A | 0.0000 | |
| 911 | T | A | -1.3951 | |
| 912 | Q | A | 0.0000 | |
| 913 | T | A | -1.4023 | |
| 914 | A | A | 0.0000 | |
| 915 | K | A | -2.1689 | |
| 916 | L | A | 0.0000 | |
| 917 | K | A | -1.9395 | |
| 918 | V | A | 0.0000 | |
| 919 | T | A | -1.8372 | |
| 920 | K | A | -2.9245 | |
| 921 | G | A | -2.0034 | |
| 922 | G | A | -1.6313 | |
| 923 | P | A | -1.1085 | |
| 924 | L | A | 0.0000 | |
| 925 | P | A | -0.8065 | |
| 926 | F | A | 0.0000 | |
| 927 | A | A | 0.0000 | |
| 928 | W | A | 0.0000 | |
| 929 | D | A | 0.0000 | |
| 930 | I | A | 0.0000 | |
| 931 | L | A | 0.0000 | |
| 932 | S | A | 0.0000 | |
| 933 | P | A | 0.0000 | |
| 934 | Q | A | 0.0000 | |
| 935 | F | A | 0.0000 | |
| 936 | M | A | 0.0000 | |
| 937 | Y | A | 0.0000 | |
| 938 | G | A | 0.0000 | |
| 939 | S | A | 0.0000 | |
| 940 | K | A | 0.0000 | |
| 941 | A | A | 0.0000 | |
| 942 | Y | A | 0.0000 | |
| 943 | V | A | 0.0000 | |
| 944 | K | A | -1.8738 | |
| 945 | H | A | -1.3825 | |
| 946 | P | A | -1.1346 | |
| 947 | A | A | -1.1611 | |
| 948 | D | A | -2.0156 | |
| 949 | I | A | 0.0000 | |
| 950 | P | A | -0.5516 | |
| 951 | D | A | -0.4491 | |
| 952 | Y | A | 0.0000 | |
| 953 | L | A | 0.0000 | |
| 954 | K | A | 0.0000 | |
| 955 | L | A | 0.1635 | |
| 956 | S | A | 0.0000 | |
| 957 | F | A | 0.0000 | |
| 958 | P | A | -0.2987 | |
| 959 | E | A | -0.8632 | |
| 960 | G | A | 0.0000 | |
| 961 | F | A | 0.0000 | |
| 962 | K | A | -2.2411 | |
| 963 | W | A | 0.0000 | |
| 964 | E | A | -2.5217 | |
| 965 | R | A | 0.0000 | |
| 966 | V | A | -0.7021 | |
| 967 | M | A | 0.0000 | |
| 968 | N | A | -1.5476 | |
| 969 | F | A | 0.0000 | |
| 970 | E | A | -2.6263 | |
| 971 | D | A | -1.9663 | |
| 972 | G | A | -1.4615 | |
| 973 | G | A | 0.0000 | |
| 974 | V | A | -0.8268 | |
| 975 | V | A | 0.0000 | |
| 976 | T | A | -1.1018 | |
| 977 | V | A | 0.0000 | |
| 978 | T | A | -1.9959 | |
| 979 | Q | A | 0.0000 | |
| 980 | D | A | -1.7834 | |
| 981 | S | A | 0.0000 | |
| 982 | S | A | -0.9323 | |
| 983 | L | A | -1.2226 | |
| 984 | Q | A | -2.4501 | |
| 985 | D | A | -2.7171 | |
| 986 | G | A | -2.3667 | |
| 987 | E | A | -2.7089 | |
| 988 | F | A | 0.0000 | |
| 989 | I | A | -1.6214 | |
| 990 | Y | A | 0.0000 | |
| 991 | K | A | -2.6705 | |
| 992 | V | A | 0.0000 | |
| 993 | K | A | -3.2396 | |
| 994 | L | A | 0.0000 | |
| 995 | R | A | -2.7039 | |
| 996 | G | A | 0.0000 | |
| 997 | T | A | -1.3760 | |
| 998 | N | A | -1.5937 | |
| 999 | F | A | 0.0000 | |
| 1000 | P | A | -1.4414 | |
| 1001 | S | A | -1.4856 | |
| 1002 | D | A | -2.2743 | |
| 1003 | G | A | -1.6842 | |
| 1004 | P | A | -1.9262 | |
| 1005 | V | A | 0.0000 | |
| 1006 | M | A | -1.4505 | |
| 1007 | Q | A | -2.2396 | |
| 1008 | K | A | -2.4623 | |
| 1009 | K | A | -2.4456 | |
| 1010 | T | A | -1.4211 | |
| 1011 | M | A | -0.6692 | |
| 1012 | G | A | -0.7330 | |
| 1013 | W | A | 0.0000 | |
| 1014 | E | A | -1.8982 | |
| 1015 | A | A | -1.3342 | |
| 1016 | S | A | -1.2215 | |
| 1017 | S | A | -1.3002 | |
| 1018 | E | A | 0.0000 | |
| 1019 | R | A | -2.1126 | |
| 1020 | M | A | 0.0000 | |
| 1021 | Y | A | -0.9431 | |
| 1022 | P | A | 0.0000 | |
| 1023 | E | A | -2.2697 | |
| 1024 | D | A | -2.7176 | |
| 1025 | G | A | -2.0905 | |
| 1026 | A | A | 0.0000 | |
| 1027 | L | A | 0.0000 | |
| 1028 | K | A | -2.0509 | |
| 1029 | G | A | 0.0000 | |
| 1030 | E | A | -2.6987 | |
| 1031 | I | A | 0.0000 | |
| 1032 | K | A | -3.0403 | |
| 1033 | Q | A | 0.0000 | |
| 1034 | R | A | -2.5509 | |
| 1035 | L | A | 0.0000 | |
| 1036 | K | A | -1.9514 | |
| 1037 | L | A | -2.1924 | |
| 1038 | K | A | -3.0747 | |
| 1039 | D | A | -3.0506 | |
| 1040 | G | A | -2.2306 | |
| 1041 | G | A | -1.8788 | |
| 1042 | H | A | -1.8716 | |
| 1043 | Y | A | 0.0000 | |
| 1044 | D | A | -2.4660 | |
| 1045 | A | A | 0.0000 | |
| 1046 | E | A | -3.0016 | |
| 1047 | V | A | 0.0000 | |
| 1048 | K | A | -2.3607 | |
| 1049 | T | A | 0.0000 | |
| 1050 | T | A | -1.9287 | |
| 1051 | Y | A | 0.0000 | |
| 1052 | K | A | -2.4360 | |
| 1053 | A | A | 0.0000 | |
| 1054 | K | A | -1.3978 | |
| 1055 | K | A | 0.0000 | |
| 1056 | P | A | -0.8882 | |
| 1057 | V | A | 0.0000 | |
| 1058 | Q | A | 0.0000 | |
| 1059 | L | A | 0.0000 | |
| 1060 | P | A | 0.0000 | |
| 1061 | G | A | -1.3705 | |
| 1062 | A | A | -0.9498 | |
| 1063 | Y | A | 0.0000 | |
| 1064 | N | A | -1.3617 | |
| 1065 | V | A | 0.0000 | |
| 1066 | N | A | -1.1196 | |
| 1067 | I | A | 0.0000 | |
| 1068 | K | A | -1.7115 | |
| 1069 | L | A | 0.0000 | |
| 1070 | D | A | -1.8229 | |
| 1071 | I | A | -0.5132 | |
| 1072 | T | A | -0.6945 | |
| 1073 | S | A | -0.9780 | |
| 1074 | H | A | -1.5053 | |
| 1075 | N | A | -1.6246 | |
| 1076 | E | A | -2.4412 | |
| 1077 | D | A | -1.8935 | |
| 1078 | Y | A | -0.9978 | |
| 1079 | T | A | -0.9912 | |
| 1080 | I | A | -0.8760 | |
| 1081 | V | A | 0.0000 | |
| 1082 | E | A | -1.3417 | |
| 1083 | Q | A | 0.0000 | |
| 1084 | Y | A | -0.6242 | |
| 1085 | E | A | 0.0000 | |
| 1086 | R | A | -1.7565 | |
| 1087 | A | A | 0.0000 | |
| 1088 | E | A | -1.5932 | |
| 1089 | G | A | 0.0000 | |
| 1090 | R | A | -1.7482 | |
| 1091 | H | A | -1.5574 | |
| 1092 | S | A | -1.0542 | |
| 1093 | T | A | -0.6500 | |
| 1094 | G | A | -1.1023 | |
| 1095 | G | A | -0.7703 | |
| 1096 | M | A | -0.3023 | |
| 1097 | D | A | -1.9801 | |
| 1098 | E | A | -2.0568 | |
| 1099 | L | A | 0.2720 | |
| 1100 | Y | A | 0.0116 | |
| 1101 | K | A | -1.9542 | |
| 1102 | G | A | -1.2616 | |
| 1103 | G | A | -0.6628 | |
| 1104 | S | A | -0.7190 | |
| 1105 | G | A | -0.8489 | |
| 1106 | V | A | 0.0333 | |
| 1107 | E | A | -2.0540 | |
| 1108 | H | A | -2.3741 | |
| 1109 | H | A | -2.6970 | |
| 1110 | H | A | -2.9490 | |
| 1111 | H | A | -2.7018 | |
| 1112 | H | A | -2.3876 | |
| 1113 | H | A | -1.9212 |
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 | -0.9155 | 4.1168 | View | CSV | PDB |
| 4.5 | -0.9936 | 4.0939 | View | CSV | PDB |
| 5.0 | -1.0883 | 4.0669 | View | CSV | PDB |
| 5.5 | -1.1807 | 4.0401 | View | CSV | PDB |
| 6.0 | -1.2508 | 4.0178 | View | CSV | PDB |
| 6.5 | -1.2858 | 4.0035 | View | CSV | PDB |
| 7.0 | -1.2862 | 3.9968 | View | CSV | PDB |
| 7.5 | -1.2635 | 3.9942 | View | CSV | PDB |
| 8.0 | -1.2282 | 3.9934 | View | CSV | PDB |
| 8.5 | -1.1836 | 3.9931 | View | CSV | PDB |
| 9.0 | -1.1291 | 3.993 | 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