| Chain sequence(s) |
A: MSGLGENLDPLASDSRKRKLPCDTPGQGLTCSGEKRRREQESKYIEELAELISANLSDIDNFNVKPDKCAILKETVRQIRQIKEQGKTISNDDDVQKADVSSTGQGVIDKDSLGPLLLQALDGFLFVVNRDGNIVFVSENVTQYLQYKQEDLVNTSVYNILHEEDRKDFLKNLPKSTVNGVSWTNETQRQKSHTFNCRMLMKTPHDILEDINASPEMRQRYETMQCFALSQPRAMMEEGEDLQSCMICVARRITTGERTFPSNPESFITRHDLSGKVVNIDTNSLRSSMRPGFEDIIRRCIQRFFSLNDGQSWSQKRHYQEAYLNGHAETPVYRFSLADGTIVTAQTKSKLFRNPVTNDRHGFVSTHFLQREQNGYRPNPNPVGQGIRPPMAGCNSSVGGMSMSPNQGLQMPSSRAYGLADPSTTGQMSGARYGGSSNIASLTPGPGMQSPSSYQNNNYGLNMSSPPHGSPGLAPNQQNIMISPRNRGSPKIASHQFSPVAGVHSPMASSGNTGNHSFSSSSLSALQAISEGVGTSLLSTLSSPGPKLDNSPNMNITQPSKVSNQDSKSPLGFYCDQNPVESSMCQSNSRDHLSDKESKESSVEGAENQRGPLESKGHKKLLQLLTCSSDDRGHSSLTNSPLDSSCKESSVSVTSPSGVSSSTSGGVSSTSNMHGSLLQEKHRILHKLLQNGNSPAEVAKITAEATGKDTSSITSCGDGNVVKQEQLSPKKKENNALLRYLLDRDDPSDALSKELQPQVEGVDNKMSQCTSSTIPSSSQEKDPKIKTETSEEGSGDLDNLDAILGDLTSSDFYNNSISSNGSHLGTKQQVFQGTNSLGLKSSQSVQSIRPPYNRAVSLDSPVSVGSSPPVKNISAFPMLPKQPMLGGNPRMMDSQENYGSSMGGPNRNVTVTQTPSSGDWGLPNSKAGRMEPMNSNSMGRPGGDYNTSLPRPALGGSIPTLPLRSNSIPGARPVLQQQQQMLQMRPGEIPMGMGANPYGQAAASNQLGSWPDGMLSMEQVSHGTQNRPLLRNSLDDLVGPPSNLEGQSDERALLDQLHTLLSNTDATGLEEIDRALGIPELVNQGQALEPKQDAFQGQEAAVMMDQKAGLYGQTYPAQGPPMQGGFHLQGQSPSFNSMMNQMNQQGNFPLQGMHPRANIMRPRTNTPKQLRMQLQQRLQGQQFLNQSRQALELKMENPTAGGAAVMRPMMQPQVSSQQGFLNAQMVAQRSRELLSHHFRQQRVAMMMQQQQQQQQQQQQQQQQQQQQQQQQQQQQQTQAFSPPPNVTASPSMDGLLAGPTMPQAPPQQFPYQPNYGMGQQPDPAFGRVSSPPNAMMSSRMGPSQNPMMQHPQAASIYQSSEMKGWPSGNLARNSSFSQQQFAHQGNPAVYSMVHMNGSSGHMGQMNMNPMPMSGMPMGPDQKYC
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. (00:00:16)
[INFO] FoldX: Starting FoldX energy minimization (00:00:16)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:24:16)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/9d90ca82de9337f/tmp/folded.pdb (00:24:16)
[INFO] Main: Simulation completed successfully. (00:36:10)
|
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 | 0.9950 | |
| 2 | S | A | 0.5156 | |
| 3 | G | A | 0.2993 | |
| 4 | L | A | 0.7294 | |
| 5 | G | A | -1.1267 | |
| 6 | E | A | -2.0674 | |
| 7 | N | A | -1.7986 | |
| 8 | L | A | -0.4817 | |
| 9 | D | A | -1.1392 | |
| 10 | P | A | -0.3025 | |
| 11 | L | A | 0.8162 | |
| 12 | A | A | 0.3325 | |
| 13 | S | A | -1.0229 | |
| 14 | D | A | -2.2279 | |
| 15 | S | A | -2.6051 | |
| 16 | R | A | -3.7341 | |
| 17 | K | A | -3.8833 | |
| 18 | R | A | -3.7386 | |
| 19 | K | A | -2.0374 | |
| 20 | L | A | 0.0383 | |
| 21 | P | A | -0.1241 | |
| 22 | C | A | -0.1160 | |
| 23 | D | A | -1.6475 | |
| 24 | T | A | -1.3049 | |
| 25 | P | A | -1.0781 | |
| 26 | G | A | -1.2086 | |
| 27 | Q | A | -1.2278 | |
| 28 | G | A | -0.4325 | |
| 29 | L | A | 0.4597 | |
| 30 | T | A | -0.4095 | |
| 31 | C | A | -1.2254 | |
| 32 | S | A | -1.8126 | |
| 33 | G | A | -2.6964 | |
| 34 | E | A | -4.5414 | |
| 35 | K | A | -5.1971 | |
| 36 | R | A | -5.7624 | |
| 37 | R | A | -6.1553 | |
| 38 | R | A | -5.9898 | |
| 39 | E | A | -5.7123 | |
| 40 | Q | A | -4.9472 | |
| 41 | E | A | -3.8914 | |
| 42 | S | A | -3.4882 | |
| 43 | K | A | -3.4493 | |
| 44 | Y | A | -1.5058 | |
| 45 | I | A | 0.0000 | |
| 46 | E | A | -2.8578 | |
| 47 | E | A | -2.2164 | |
| 48 | L | A | -0.9175 | |
| 49 | A | A | -1.6161 | |
| 50 | E | A | -1.9020 | |
| 51 | L | A | -0.0565 | |
| 52 | I | A | 0.0000 | |
| 53 | S | A | -0.6065 | |
| 54 | A | A | -0.4059 | |
| 55 | N | A | -1.2192 | |
| 56 | L | A | -0.3209 | |
| 57 | S | A | -0.8814 | |
| 58 | D | A | -1.7356 | |
| 59 | I | A | -0.1549 | |
| 60 | D | A | -2.0243 | |
| 61 | N | A | -1.7741 | |
| 62 | F | A | -0.9766 | |
| 63 | N | A | -1.0916 | |
| 64 | V | A | -0.1597 | |
| 65 | K | A | -1.7063 | |
| 66 | P | A | -1.7344 | |
| 67 | D | A | -2.2546 | |
| 68 | K | A | -2.1061 | |
| 69 | C | A | -0.8044 | |
| 70 | A | A | -0.8969 | |
| 71 | I | A | 0.0000 | |
| 72 | L | A | -0.3057 | |
| 73 | K | A | -1.3019 | |
| 74 | E | A | -0.6775 | |
| 75 | T | A | 0.2369 | |
| 76 | V | A | 0.5818 | |
| 77 | R | A | -1.0609 | |
| 78 | Q | A | -0.6873 | |
| 79 | I | A | -0.1179 | |
| 80 | R | A | -2.1764 | |
| 81 | Q | A | -1.7787 | |
| 82 | I | A | -0.4163 | |
| 83 | K | A | -2.9564 | |
| 84 | E | A | -3.3311 | |
| 85 | Q | A | -1.8579 | |
| 86 | G | A | -1.8464 | |
| 87 | K | A | -2.5952 | |
| 88 | T | A | -1.3297 | |
| 89 | I | A | -0.3636 | |
| 90 | S | A | -1.7694 | |
| 91 | N | A | -3.1160 | |
| 92 | D | A | -3.7463 | |
| 93 | D | A | -3.9723 | |
| 94 | D | A | -3.0783 | |
| 95 | V | A | -0.9497 | |
| 96 | Q | A | -2.5744 | |
| 97 | K | A | -2.5865 | |
| 98 | A | A | -1.3061 | |
| 99 | D | A | -1.7704 | |
| 100 | V | A | 0.3034 | |
| 101 | S | A | -0.2964 | |
| 102 | S | A | -0.4589 | |
| 103 | T | A | -0.0491 | |
| 104 | G | A | -0.8330 | |
| 105 | Q | A | -1.5108 | |
| 106 | G | A | -0.6991 | |
| 107 | V | A | 0.9874 | |
| 108 | I | A | -0.0338 | |
| 109 | D | A | -2.5468 | |
| 110 | K | A | -3.1758 | |
| 111 | D | A | -2.9718 | |
| 112 | S | A | -1.3868 | |
| 113 | L | A | -0.5705 | |
| 114 | G | A | -0.5557 | |
| 115 | P | A | -0.2618 | |
| 116 | L | A | 1.2404 | |
| 117 | L | A | 1.7193 | |
| 118 | L | A | 0.5676 | |
| 119 | Q | A | -0.4786 | |
| 120 | A | A | 0.3626 | |
| 121 | L | A | 0.2383 | |
| 122 | D | A | -1.1067 | |
| 123 | G | A | 0.0000 | |
| 124 | F | A | 0.0000 | |
| 125 | L | A | 0.3706 | |
| 126 | F | A | 0.0000 | |
| 127 | V | A | 1.0072 | |
| 128 | V | A | 0.0000 | |
| 129 | N | A | -1.3931 | |
| 130 | R | A | -2.5415 | |
| 131 | D | A | -2.5288 | |
| 132 | G | A | 0.0000 | |
| 133 | N | A | -1.1453 | |
| 134 | I | A | 0.0000 | |
| 135 | V | A | 1.0507 | |
| 136 | F | A | 0.7929 | |
| 137 | V | A | 0.0000 | |
| 138 | S | A | 0.0000 | |
| 139 | E | A | -2.7597 | |
| 140 | N | A | -2.1294 | |
| 141 | V | A | 0.0000 | |
| 142 | T | A | -2.0293 | |
| 143 | Q | A | -1.9132 | |
| 144 | Y | A | -1.0547 | |
| 145 | L | A | 0.0000 | |
| 146 | Q | A | -1.5362 | |
| 147 | Y | A | -2.0107 | |
| 148 | K | A | -3.1855 | |
| 149 | Q | A | -2.7917 | |
| 150 | E | A | -2.9768 | |
| 151 | D | A | -2.3383 | |
| 152 | L | A | 0.0000 | |
| 153 | V | A | -0.6419 | |
| 154 | N | A | -1.1578 | |
| 155 | T | A | -0.8907 | |
| 156 | S | A | -0.9199 | |
| 157 | V | A | 0.0000 | |
| 158 | Y | A | -1.2660 | |
| 159 | N | A | -1.5318 | |
| 160 | I | A | 0.0000 | |
| 161 | L | A | 0.0000 | |
| 162 | H | A | -2.3934 | |
| 163 | E | A | -3.7049 | |
| 164 | E | A | -3.8104 | |
| 165 | D | A | -3.2501 | |
| 166 | R | A | -3.3269 | |
| 167 | K | A | -3.8147 | |
| 168 | D | A | -3.8537 | |
| 169 | F | A | 0.0000 | |
| 170 | L | A | -2.0069 | |
| 171 | K | A | -2.8031 | |
| 172 | N | A | -1.8379 | |
| 173 | L | A | 0.0000 | |
| 174 | P | A | -1.9016 | |
| 175 | K | A | -2.1651 | |
| 176 | S | A | -1.1180 | |
| 177 | T | A | -0.0042 | |
| 178 | V | A | 0.9370 | |
| 179 | N | A | -0.2003 | |
| 180 | G | A | 0.2520 | |
| 181 | V | A | 1.5822 | |
| 182 | S | A | 0.7330 | |
| 183 | W | A | 0.9237 | |
| 184 | T | A | -0.3373 | |
| 185 | N | A | -2.1245 | |
| 186 | E | A | -2.8891 | |
| 187 | T | A | -2.4703 | |
| 188 | Q | A | -2.9523 | |
| 189 | R | A | -3.8680 | |
| 190 | Q | A | -3.0495 | |
| 191 | K | A | -2.9853 | |
| 192 | S | A | -1.4768 | |
| 193 | H | A | -0.6746 | |
| 194 | T | A | -0.2369 | |
| 195 | F | A | -0.8149 | |
| 196 | N | A | -1.7238 | |
| 197 | C | A | 0.0000 | |
| 198 | R | A | -1.4984 | |
| 199 | M | A | 0.0000 | |
| 200 | L | A | -0.9069 | |
| 201 | M | A | -0.8925 | |
| 202 | K | A | -1.7313 | |
| 203 | T | A | -1.4223 | |
| 204 | P | A | -0.6585 | |
| 205 | H | A | -1.4118 | |
| 206 | D | A | -1.3429 | |
| 207 | I | A | 0.9824 | |
| 208 | L | A | 0.6877 | |
| 209 | E | A | -1.4389 | |
| 210 | D | A | -1.3048 | |
| 211 | I | A | 0.3061 | |
| 212 | N | A | -0.7313 | |
| 213 | A | A | -0.7296 | |
| 214 | S | A | -0.9106 | |
| 215 | P | A | -1.3219 | |
| 216 | E | A | -2.1974 | |
| 217 | M | A | -1.3168 | |
| 218 | R | A | -2.8481 | |
| 219 | Q | A | -2.7469 | |
| 220 | R | A | -2.3384 | |
| 221 | Y | A | -1.1418 | |
| 222 | E | A | -0.7104 | |
| 223 | T | A | -0.9643 | |
| 224 | M | A | 0.0000 | |
| 225 | Q | A | -1.0622 | |
| 226 | C | A | 0.0000 | |
| 227 | F | A | 0.3499 | |
| 228 | A | A | 0.0000 | |
| 229 | L | A | -0.1956 | |
| 230 | S | A | -0.8921 | |
| 231 | Q | A | -1.2922 | |
| 232 | P | A | -1.5625 | |
| 233 | R | A | -1.7662 | |
| 234 | A | A | -0.7098 | |
| 235 | M | A | -0.5500 | |
| 236 | M | A | -0.9748 | |
| 237 | E | A | -2.3030 | |
| 238 | E | A | -2.9787 | |
| 239 | G | A | -2.9180 | |
| 240 | E | A | -3.2957 | |
| 241 | D | A | -3.0531 | |
| 242 | L | A | -1.8276 | |
| 243 | Q | A | -1.8870 | |
| 244 | S | A | -1.6833 | |
| 245 | C | A | 0.0000 | |
| 246 | M | A | 0.0000 | |
| 247 | I | A | 0.8797 | |
| 248 | C | A | 0.0000 | |
| 249 | V | A | 0.4651 | |
| 250 | A | A | 0.0000 | |
| 251 | R | A | -1.0717 | |
| 252 | R | A | -1.5504 | |
| 253 | I | A | -1.3279 | |
| 254 | T | A | -1.1536 | |
| 255 | T | A | -0.9177 | |
| 256 | G | A | -0.9031 | |
| 257 | E | A | -1.3554 | |
| 258 | R | A | -1.3896 | |
| 259 | T | A | -0.4525 | |
| 260 | F | A | 0.3718 | |
| 261 | P | A | -0.6404 | |
| 262 | S | A | -0.9131 | |
| 263 | N | A | -1.3490 | |
| 264 | P | A | -0.5183 | |
| 265 | E | A | -0.8007 | |
| 266 | S | A | -0.5664 | |
| 267 | F | A | 0.0000 | |
| 268 | I | A | -0.1674 | |
| 269 | T | A | 0.0000 | |
| 270 | R | A | -1.4906 | |
| 271 | H | A | 0.0000 | |
| 272 | D | A | -1.0220 | |
| 273 | L | A | -0.2167 | |
| 274 | S | A | -0.7126 | |
| 275 | G | A | 0.0000 | |
| 276 | K | A | -1.5997 | |
| 277 | V | A | -0.5739 | |
| 278 | V | A | -0.0388 | |
| 279 | N | A | -0.7737 | |
| 280 | I | A | -0.7362 | |
| 281 | D | A | -1.5420 | |
| 282 | T | A | 0.0000 | |
| 283 | N | A | -2.1025 | |
| 284 | S | A | -1.5180 | |
| 285 | L | A | 0.0000 | |
| 286 | R | A | -2.2843 | |
| 287 | S | A | -1.2616 | |
| 288 | S | A | -1.0121 | |
| 289 | M | A | -0.1455 | |
| 290 | R | A | -1.1645 | |
| 291 | P | A | -1.0036 | |
| 292 | G | A | -1.1837 | |
| 293 | F | A | -1.0848 | |
| 294 | E | A | -1.4665 | |
| 295 | D | A | -1.3645 | |
| 296 | I | A | 0.0000 | |
| 297 | I | A | 0.0000 | |
| 298 | R | A | -1.6668 | |
| 299 | R | A | -1.7280 | |
| 300 | C | A | 0.0000 | |
| 301 | I | A | 0.0000 | |
| 302 | Q | A | -1.0991 | |
| 303 | R | A | -1.4709 | |
| 304 | F | A | 0.0000 | |
| 305 | F | A | -0.1898 | |
| 306 | S | A | -0.2696 | |
| 307 | L | A | 0.0042 | |
| 308 | N | A | -1.7519 | |
| 309 | D | A | -2.5153 | |
| 310 | G | A | -2.0390 | |
| 311 | Q | A | -2.1053 | |
| 312 | S | A | -1.4290 | |
| 313 | W | A | -1.4416 | |
| 314 | S | A | -1.4966 | |
| 315 | Q | A | 0.0000 | |
| 316 | K | A | -2.7472 | |
| 317 | R | A | -3.2898 | |
| 318 | H | A | 0.0000 | |
| 319 | Y | A | 0.0000 | |
| 320 | Q | A | -2.2613 | |
| 321 | E | A | -2.8651 | |
| 322 | A | A | 0.0000 | |
| 323 | Y | A | -0.3893 | |
| 324 | L | A | 0.2926 | |
| 325 | N | A | -1.5281 | |
| 326 | G | A | -1.4892 | |
| 327 | H | A | -2.6077 | |
| 328 | A | A | -2.6531 | |
| 329 | E | A | -2.3979 | |
| 330 | T | A | 0.0000 | |
| 331 | P | A | -0.1643 | |
| 332 | V | A | 1.0468 | |
| 333 | Y | A | 0.0000 | |
| 334 | R | A | -1.6212 | |
| 335 | F | A | 0.0000 | |
| 336 | S | A | -0.8343 | |
| 337 | L | A | 0.0000 | |
| 338 | A | A | -1.0616 | |
| 339 | D | A | -1.9730 | |
| 340 | G | A | -1.2863 | |
| 341 | T | A | -1.1368 | |
| 342 | I | A | -0.7817 | |
| 343 | V | A | 0.0000 | |
| 344 | T | A | 0.0000 | |
| 345 | A | A | 0.0000 | |
| 346 | Q | A | -0.3083 | |
| 347 | T | A | 0.0000 | |
| 348 | K | A | -2.0655 | |
| 349 | S | A | 0.0000 | |
| 350 | K | A | -2.7636 | |
| 351 | L | A | -1.1223 | |
| 352 | F | A | -1.2536 | |
| 353 | R | A | -2.4822 | |
| 354 | N | A | -1.7734 | |
| 355 | P | A | -0.5895 | |
| 356 | V | A | 0.7131 | |
| 357 | T | A | -0.8925 | |
| 358 | N | A | -2.4296 | |
| 359 | D | A | -3.2050 | |
| 360 | R | A | -2.6525 | |
| 361 | H | A | -2.1811 | |
| 362 | G | A | 0.0000 | |
| 363 | F | A | 0.0000 | |
| 364 | V | A | 0.0000 | |
| 365 | S | A | 0.0000 | |
| 366 | T | A | -0.6516 | |
| 367 | H | A | 0.0000 | |
| 368 | F | A | 0.5236 | |
| 369 | L | A | 0.0000 | |
| 370 | Q | A | -0.8037 | |
| 371 | R | A | -1.3851 | |
| 372 | E | A | -1.8355 | |
| 373 | Q | A | -2.3703 | |
| 374 | N | A | -2.3046 | |
| 375 | G | A | -1.3913 | |
| 376 | Y | A | -0.4918 | |
| 377 | R | A | -2.1919 | |
| 378 | P | A | -1.6705 | |
| 379 | N | A | -2.2943 | |
| 380 | P | A | -1.6665 | |
| 381 | N | A | -1.5264 | |
| 382 | P | A | -0.3605 | |
| 383 | V | A | 0.7371 | |
| 384 | G | A | -0.3270 | |
| 385 | Q | A | -1.0303 | |
| 386 | G | A | -0.5300 | |
| 387 | I | A | 0.3920 | |
| 388 | R | A | -1.1260 | |
| 389 | P | A | -0.6138 | |
| 390 | P | A | -0.2939 | |
| 391 | M | A | 0.8859 | |
| 392 | A | A | 0.3848 | |
| 393 | G | A | -0.1547 | |
| 394 | C | A | -0.0567 | |
| 395 | N | A | -1.1983 | |
| 396 | S | A | -0.5496 | |
| 397 | S | A | 0.0719 | |
| 398 | V | A | 1.4009 | |
| 399 | G | A | 0.3293 | |
| 400 | G | A | 0.2335 | |
| 401 | M | A | 1.0166 | |
| 402 | S | A | 0.6205 | |
| 403 | M | A | 0.8451 | |
| 404 | S | A | -0.3321 | |
| 405 | P | A | -1.0354 | |
| 406 | N | A | -1.8440 | |
| 407 | Q | A | -1.8610 | |
| 408 | G | A | -0.7841 | |
| 409 | L | A | 0.3975 | |
| 410 | Q | A | -0.1075 | |
| 411 | M | A | 0.6376 | |
| 412 | P | A | -0.1126 | |
| 413 | S | A | -0.6411 | |
| 414 | S | A | -1.3710 | |
| 415 | R | A | -1.7637 | |
| 416 | A | A | -0.5047 | |
| 417 | Y | A | 1.0079 | |
| 418 | G | A | 0.8644 | |
| 419 | L | A | 1.2917 | |
| 420 | A | A | -0.1792 | |
| 421 | D | A | -1.7468 | |
| 422 | P | A | -1.6828 | |
| 423 | S | A | -1.1561 | |
| 424 | T | A | -0.5315 | |
| 425 | T | A | -0.5780 | |
| 426 | G | A | -0.8245 | |
| 427 | Q | A | -1.0718 | |
| 428 | M | A | 0.1309 | |
| 429 | S | A | -0.4697 | |
| 430 | G | A | -0.8122 | |
| 431 | A | A | -0.8213 | |
| 432 | R | A | -1.5181 | |
| 433 | Y | A | -0.0652 | |
| 434 | G | A | -0.9010 | |
| 435 | G | A | -0.7676 | |
| 436 | S | A | -0.6657 | |
| 437 | S | A | -0.6649 | |
| 438 | N | A | -0.5378 | |
| 439 | I | A | 1.3357 | |
| 440 | A | A | 0.9863 | |
| 441 | S | A | 1.0154 | |
| 442 | L | A | 1.6409 | |
| 443 | T | A | 0.7011 | |
| 444 | P | A | -0.1730 | |
| 445 | G | A | -0.6484 | |
| 446 | P | A | -0.5529 | |
| 447 | G | A | -0.4250 | |
| 448 | M | A | 0.0615 | |
| 449 | Q | A | -0.9097 | |
| 450 | S | A | -0.7244 | |
| 451 | P | A | -0.4900 | |
| 452 | S | A | -0.3748 | |
| 453 | S | A | -0.0991 | |
| 454 | Y | A | 0.0043 | |
| 455 | Q | A | -2.0200 | |
| 456 | N | A | -2.5328 | |
| 457 | N | A | -2.5488 | |
| 458 | N | A | -1.7658 | |
| 459 | Y | A | 0.1201 | |
| 460 | G | A | 0.3760 | |
| 461 | L | A | 0.9862 | |
| 462 | N | A | 0.0298 | |
| 463 | M | A | 0.5891 | |
| 464 | S | A | 0.0330 | |
| 465 | S | A | -0.2815 | |
| 466 | P | A | -0.7584 | |
| 467 | P | A | -1.0199 | |
| 468 | H | A | -1.4395 | |
| 469 | G | A | -1.2355 | |
| 470 | S | A | -0.7300 | |
| 471 | P | A | -0.3074 | |
| 472 | G | A | -0.0003 | |
| 473 | L | A | 1.0722 | |
| 474 | A | A | 0.2318 | |
| 475 | P | A | -0.9369 | |
| 476 | N | A | -2.0669 | |
| 477 | Q | A | -2.6192 | |
| 478 | Q | A | -2.1526 | |
| 479 | N | A | -0.9218 | |
| 480 | I | A | 1.8987 | |
| 481 | M | A | 2.5280 | |
| 482 | I | A | 2.7837 | |
| 483 | S | A | 0.4237 | |
| 484 | P | A | -1.0613 | |
| 485 | R | A | -3.0315 | |
| 486 | N | A | -3.2423 | |
| 487 | R | A | -3.0787 | |
| 488 | G | A | -1.7897 | |
| 489 | S | A | -1.2927 | |
| 490 | P | A | -0.8663 | |
| 491 | K | A | -0.8877 | |
| 492 | I | A | 1.1342 | |
| 493 | A | A | 0.5110 | |
| 494 | S | A | -0.4845 | |
| 495 | H | A | -1.3491 | |
| 496 | Q | A | -0.9168 | |
| 497 | F | A | 1.0328 | |
| 498 | S | A | 0.7020 | |
| 499 | P | A | 0.8550 | |
| 500 | V | A | 1.5541 | |
| 501 | A | A | 1.0566 | |
| 502 | G | A | 0.5611 | |
| 503 | V | A | 1.0466 | |
| 504 | H | A | -0.3737 | |
| 505 | S | A | -0.2508 | |
| 506 | P | A | -0.0346 | |
| 507 | M | A | 0.8676 | |
| 508 | A | A | 0.3497 | |
| 509 | S | A | -0.1474 | |
| 510 | S | A | -0.7880 | |
| 511 | G | A | -1.2890 | |
| 512 | N | A | -1.7052 | |
| 513 | T | A | -1.3512 | |
| 514 | G | A | -1.5836 | |
| 515 | N | A | -2.0883 | |
| 516 | H | A | -1.5091 | |
| 517 | S | A | -0.1774 | |
| 518 | F | A | 1.4960 | |
| 519 | S | A | 0.5802 | |
| 520 | S | A | 0.1152 | |
| 521 | S | A | -0.3908 | |
| 522 | S | A | -0.0356 | |
| 523 | L | A | 1.1884 | |
| 524 | S | A | 0.8333 | |
| 525 | A | A | 1.0735 | |
| 526 | L | A | 1.7490 | |
| 527 | Q | A | 0.0358 | |
| 528 | A | A | 0.4111 | |
| 529 | I | A | 1.4159 | |
| 530 | S | A | -0.0926 | |
| 531 | E | A | -1.5657 | |
| 532 | G | A | -0.3857 | |
| 533 | V | A | 0.9126 | |
| 534 | G | A | 0.1321 | |
| 535 | T | A | 0.3573 | |
| 536 | S | A | 0.8686 | |
| 537 | L | A | 2.0527 | |
| 538 | L | A | 2.3054 | |
| 539 | S | A | 1.2572 | |
| 540 | T | A | 1.0788 | |
| 541 | L | A | 1.4493 | |
| 542 | S | A | 0.3242 | |
| 543 | S | A | -0.1812 | |
| 544 | P | A | -0.7086 | |
| 545 | G | A | -1.0672 | |
| 546 | P | A | -1.0710 | |
| 547 | K | A | -1.6489 | |
| 548 | L | A | -0.6205 | |
| 549 | D | A | -2.0071 | |
| 550 | N | A | -1.9756 | |
| 551 | S | A | -1.6489 | |
| 552 | P | A | -1.0507 | |
| 553 | N | A | -1.2363 | |
| 554 | M | A | 0.1034 | |
| 555 | N | A | -0.1344 | |
| 556 | I | A | 1.2411 | |
| 557 | T | A | 0.0193 | |
| 558 | Q | A | -0.9893 | |
| 559 | P | A | -1.0989 | |
| 560 | S | A | -1.1449 | |
| 561 | K | A | -1.0863 | |
| 562 | V | A | 0.5367 | |
| 563 | S | A | -0.4276 | |
| 564 | N | A | -2.0485 | |
| 565 | Q | A | -3.0096 | |
| 566 | D | A | -3.1798 | |
| 567 | S | A | -2.3199 | |
| 568 | K | A | -2.5513 | |
| 569 | S | A | -0.8866 | |
| 570 | P | A | 0.1924 | |
| 571 | L | A | 1.7254 | |
| 572 | G | A | 1.7686 | |
| 573 | F | A | 2.8162 | |
| 574 | Y | A | 2.1302 | |
| 575 | C | A | 0.3870 | |
| 576 | D | A | -1.9930 | |
| 577 | Q | A | -2.5831 | |
| 578 | N | A | -2.0846 | |
| 579 | P | A | -0.6189 | |
| 580 | V | A | 0.4840 | |
| 581 | E | A | -1.1589 | |
| 582 | S | A | -0.6943 | |
| 583 | S | A | -0.0040 | |
| 584 | M | A | 1.0624 | |
| 585 | C | A | 0.6653 | |
| 586 | Q | A | -1.0222 | |
| 587 | S | A | -1.4113 | |
| 588 | N | A | -2.3943 | |
| 589 | S | A | -2.3456 | |
| 590 | R | A | -3.4508 | |
| 591 | D | A | -3.1268 | |
| 592 | H | A | -1.5033 | |
| 593 | L | A | 0.1468 | |
| 594 | S | A | -0.8427 | |
| 595 | D | A | -2.8698 | |
| 596 | K | A | -3.6151 | |
| 597 | E | A | -3.4928 | |
| 598 | S | A | -2.8201 | |
| 599 | K | A | -3.2364 | |
| 600 | E | A | -2.9369 | |
| 601 | S | A | -1.1226 | |
| 602 | S | A | -0.0719 | |
| 603 | V | A | 0.6483 | |
| 604 | E | A | -1.2821 | |
| 605 | G | A | -1.4470 | |
| 606 | A | A | -1.6891 | |
| 607 | E | A | -2.8170 | |
| 608 | N | A | -3.1805 | |
| 609 | Q | A | -3.1990 | |
| 610 | R | A | -2.9762 | |
| 611 | G | A | -1.4055 | |
| 612 | P | A | -0.5430 | |
| 613 | L | A | 0.4099 | |
| 614 | E | A | -1.6629 | |
| 615 | S | A | -1.9696 | |
| 616 | K | A | -2.9870 | |
| 617 | G | A | -2.5219 | |
| 618 | H | A | -2.3622 | |
| 619 | K | A | -2.5663 | |
| 620 | K | A | -1.3944 | |
| 621 | L | A | 1.2626 | |
| 622 | L | A | 1.6732 | |
| 623 | Q | A | 0.4747 | |
| 624 | L | A | 2.2707 | |
| 625 | L | A | 2.7500 | |
| 626 | T | A | 1.6231 | |
| 627 | C | A | 0.9340 | |
| 628 | S | A | -0.3599 | |
| 629 | S | A | -1.4787 | |
| 630 | D | A | -3.2434 | |
| 631 | D | A | -3.7281 | |
| 632 | R | A | -3.6282 | |
| 633 | G | A | -2.5394 | |
| 634 | H | A | -1.7987 | |
| 635 | S | A | -0.5821 | |
| 636 | S | A | 0.1708 | |
| 637 | L | A | 1.1120 | |
| 638 | T | A | 0.0829 | |
| 639 | N | A | -1.1655 | |
| 640 | S | A | -0.7519 | |
| 641 | P | A | -0.2528 | |
| 642 | L | A | 0.3956 | |
| 643 | D | A | -1.1591 | |
| 644 | S | A | -0.6960 | |
| 645 | S | A | -0.6174 | |
| 646 | C | A | -0.5856 | |
| 647 | K | A | -2.4341 | |
| 648 | E | A | -2.7434 | |
| 649 | S | A | -1.1517 | |
| 650 | S | A | 0.0794 | |
| 651 | V | A | 1.8997 | |
| 652 | S | A | 1.5736 | |
| 653 | V | A | 1.9211 | |
| 654 | T | A | 0.5184 | |
| 655 | S | A | -0.0385 | |
| 656 | P | A | -0.1962 | |
| 657 | S | A | -0.1486 | |
| 658 | G | A | 0.1797 | |
| 659 | V | A | 1.2889 | |
| 660 | S | A | 0.3328 | |
| 661 | S | A | -0.0823 | |
| 662 | S | A | -0.3385 | |
| 663 | T | A | -0.4714 | |
| 664 | S | A | -0.6958 | |
| 665 | G | A | -0.4652 | |
| 666 | G | A | 0.2188 | |
| 667 | V | A | 1.2541 | |
| 668 | S | A | 0.3738 | |
| 669 | S | A | -0.0820 | |
| 670 | T | A | -0.5862 | |
| 671 | S | A | -0.7379 | |
| 672 | N | A | -1.0581 | |
| 673 | M | A | -0.2333 | |
| 674 | H | A | -0.8031 | |
| 675 | G | A | -0.2397 | |
| 676 | S | A | 0.0393 | |
| 677 | L | A | 0.7587 | |
| 678 | L | A | 0.1953 | |
| 679 | Q | A | -2.0904 | |
| 680 | E | A | -2.9293 | |
| 681 | K | A | -2.6570 | |
| 682 | H | A | -2.5527 | |
| 683 | R | A | -2.7697 | |
| 684 | I | A | -0.1616 | |
| 685 | L | A | -0.0183 | |
| 686 | H | A | -1.6084 | |
| 687 | K | A | -1.4723 | |
| 688 | L | A | 0.5496 | |
| 689 | L | A | 0.4514 | |
| 690 | Q | A | -1.4161 | |
| 691 | N | A | -1.8581 | |
| 692 | G | A | -1.6433 | |
| 693 | N | A | -1.4185 | |
| 694 | S | A | -1.1378 | |
| 695 | P | A | -0.5547 | |
| 696 | A | A | -0.3962 | |
| 697 | E | A | -0.5974 | |
| 698 | V | A | 0.9384 | |
| 699 | A | A | 0.0867 | |
| 700 | K | A | -0.9975 | |
| 701 | I | A | 0.9139 | |
| 702 | T | A | 0.1187 | |
| 703 | A | A | -0.7488 | |
| 704 | E | A | -1.6912 | |
| 705 | A | A | -0.8664 | |
| 706 | T | A | -0.9323 | |
| 707 | G | A | -2.2994 | |
| 708 | K | A | -3.0342 | |
| 709 | D | A | -2.8332 | |
| 710 | T | A | -1.2706 | |
| 711 | S | A | -0.2155 | |
| 712 | S | A | 0.4024 | |
| 713 | I | A | 1.7641 | |
| 714 | T | A | 0.8024 | |
| 715 | S | A | 0.4170 | |
| 716 | C | A | -0.0159 | |
| 717 | G | A | -1.1169 | |
| 718 | D | A | -2.3292 | |
| 719 | G | A | -1.3726 | |
| 720 | N | A | -0.4366 | |
| 721 | V | A | 1.3616 | |
| 722 | V | A | 1.4908 | |
| 723 | K | A | -1.6432 | |
| 724 | Q | A | -2.8621 | |
| 725 | E | A | -3.1055 | |
| 726 | Q | A | -1.8337 | |
| 727 | L | A | 0.2789 | |
| 728 | S | A | -0.4579 | |
| 729 | P | A | -1.2277 | |
| 730 | K | A | -3.3589 | |
| 731 | K | A | -4.0283 | |
| 732 | K | A | -4.2781 | |
| 733 | E | A | -4.0170 | |
| 734 | N | A | -3.1406 | |
| 735 | N | A | -1.6461 | |
| 736 | A | A | -0.5867 | |
| 737 | L | A | 1.6479 | |
| 738 | L | A | 1.5956 | |
| 739 | R | A | -0.3574 | |
| 740 | Y | A | 1.1542 | |
| 741 | L | A | 1.7541 | |
| 742 | L | A | 0.5941 | |
| 743 | D | A | -2.0535 | |
| 744 | R | A | -3.1986 | |
| 745 | D | A | -3.3374 | |
| 746 | D | A | -3.5432 | |
| 747 | P | A | -2.4816 | |
| 748 | S | A | -1.6182 | |
| 749 | D | A | -1.6102 | |
| 750 | A | A | -0.2120 | |
| 751 | L | A | 0.5236 | |
| 752 | S | A | -0.6107 | |
| 753 | K | A | -2.2753 | |
| 754 | E | A | -2.2041 | |
| 755 | L | A | -0.4348 | |
| 756 | Q | A | -1.2220 | |
| 757 | P | A | -0.7674 | |
| 758 | Q | A | -1.0054 | |
| 759 | V | A | -0.0437 | |
| 760 | E | A | -1.1108 | |
| 761 | G | A | -0.6751 | |
| 762 | V | A | -0.2921 | |
| 763 | D | A | -2.0840 | |
| 764 | N | A | -2.3676 | |
| 765 | K | A | -2.1665 | |
| 766 | M | A | -0.4550 | |
| 767 | S | A | -0.5546 | |
| 768 | Q | A | -0.7552 | |
| 769 | C | A | 0.0152 | |
| 770 | T | A | -0.1085 | |
| 771 | S | A | -0.2140 | |
| 772 | S | A | 0.0855 | |
| 773 | T | A | 0.6907 | |
| 774 | I | A | 1.7725 | |
| 775 | P | A | 0.5086 | |
| 776 | S | A | -0.1109 | |
| 777 | S | A | -0.7849 | |
| 778 | S | A | -1.3711 | |
| 779 | Q | A | -2.6768 | |
| 780 | E | A | -3.8758 | |
| 781 | K | A | -3.9207 | |
| 782 | D | A | -3.3211 | |
| 783 | P | A | -2.2447 | |
| 784 | K | A | -2.0336 | |
| 785 | I | A | -0.4920 | |
| 786 | K | A | -1.9814 | |
| 787 | T | A | -1.9008 | |
| 788 | E | A | -2.3576 | |
| 789 | T | A | -1.8686 | |
| 790 | S | A | -1.9783 | |
| 791 | E | A | -2.9657 | |
| 792 | E | A | -3.0846 | |
| 793 | G | A | -2.0784 | |
| 794 | S | A | -1.6558 | |
| 795 | G | A | -1.7613 | |
| 796 | D | A | -2.1624 | |
| 797 | L | A | -0.9039 | |
| 798 | D | A | -2.5636 | |
| 799 | N | A | -2.1456 | |
| 800 | L | A | -1.3122 | |
| 801 | D | A | -2.5165 | |
| 802 | A | A | -1.7790 | |
| 803 | I | A | 0.0000 | |
| 804 | L | A | -1.3924 | |
| 805 | G | A | -1.7947 | |
| 806 | D | A | -2.0540 | |
| 807 | L | A | -0.9605 | |
| 808 | T | A | -0.6726 | |
| 809 | S | A | -0.9020 | |
| 810 | S | A | -0.6454 | |
| 811 | D | A | -0.8326 | |
| 812 | F | A | 1.1782 | |
| 813 | Y | A | 0.7364 | |
| 814 | N | A | -0.9469 | |
| 815 | N | A | -0.8760 | |
| 816 | S | A | -0.0965 | |
| 817 | I | A | 1.2690 | |
| 818 | S | A | 0.0901 | |
| 819 | S | A | -0.6279 | |
| 820 | N | A | -1.7050 | |
| 821 | G | A | -1.4635 | |
| 822 | S | A | -0.9348 | |
| 823 | H | A | -0.5434 | |
| 824 | L | A | 0.7858 | |
| 825 | G | A | -0.2812 | |
| 826 | T | A | -1.0344 | |
| 827 | K | A | -2.7170 | |
| 828 | Q | A | -2.2974 | |
| 829 | Q | A | -0.7723 | |
| 830 | V | A | 1.5285 | |
| 831 | F | A | 1.8040 | |
| 832 | Q | A | -0.0254 | |
| 833 | G | A | -0.9302 | |
| 834 | T | A | -1.2653 | |
| 835 | N | A | -1.2124 | |
| 836 | S | A | -0.2941 | |
| 837 | L | A | 1.3216 | |
| 838 | G | A | 0.8580 | |
| 839 | L | A | 0.8334 | |
| 840 | K | A | -1.2162 | |
| 841 | S | A | -1.1121 | |
| 842 | S | A | -1.1185 | |
| 843 | Q | A | -1.0327 | |
| 844 | S | A | -0.3145 | |
| 845 | V | A | 0.9591 | |
| 846 | Q | A | -0.1745 | |
| 847 | S | A | 0.1404 | |
| 848 | I | A | 0.7864 | |
| 849 | R | A | -1.0740 | |
| 850 | P | A | -0.6610 | |
| 851 | P | A | -0.7262 | |
| 852 | Y | A | -0.2737 | |
| 853 | N | A | -1.3955 | |
| 854 | R | A | -1.6324 | |
| 855 | A | A | -0.0921 | |
| 856 | V | A | 1.1936 | |
| 857 | S | A | 0.8380 | |
| 858 | L | A | 0.7329 | |
| 859 | D | A | -0.9395 | |
| 860 | S | A | -0.5697 | |
| 861 | P | A | 0.2749 | |
| 862 | V | A | 1.9304 | |
| 863 | S | A | 1.3755 | |
| 864 | V | A | 1.8294 | |
| 865 | G | A | 0.2002 | |
| 866 | S | A | -0.2234 | |
| 867 | S | A | -0.6070 | |
| 868 | P | A | -0.2205 | |
| 869 | P | A | 0.1020 | |
| 870 | V | A | 0.5199 | |
| 871 | K | A | -1.1978 | |
| 872 | N | A | -0.9432 | |
| 873 | I | A | 1.2306 | |
| 874 | S | A | 1.1665 | |
| 875 | A | A | 1.3317 | |
| 876 | F | A | 2.2879 | |
| 877 | P | A | 1.5642 | |
| 878 | M | A | 2.0992 | |
| 879 | L | A | 1.6312 | |
| 880 | P | A | -0.3630 | |
| 881 | K | A | -2.2380 | |
| 882 | Q | A | -2.1068 | |
| 883 | P | A | -0.3731 | |
| 884 | M | A | 1.4440 | |
| 885 | L | A | 1.7383 | |
| 886 | G | A | -0.0569 | |
| 887 | G | A | -1.0513 | |
| 888 | N | A | -2.0600 | |
| 889 | P | A | -1.6549 | |
| 890 | R | A | -1.4321 | |
| 891 | M | A | 0.2046 | |
| 892 | M | A | 0.3115 | |
| 893 | D | A | -1.4627 | |
| 894 | S | A | -1.8821 | |
| 895 | Q | A | -2.7688 | |
| 896 | E | A | -2.8399 | |
| 897 | N | A | -1.9450 | |
| 898 | Y | A | 0.1315 | |
| 899 | G | A | -0.2179 | |
| 900 | S | A | -0.0797 | |
| 901 | S | A | 0.0055 | |
| 902 | M | A | 0.5217 | |
| 903 | G | A | -0.3088 | |
| 904 | G | A | -0.9234 | |
| 905 | P | A | -1.7899 | |
| 906 | N | A | -2.7197 | |
| 907 | R | A | -2.7368 | |
| 908 | N | A | -1.7071 | |
| 909 | V | A | 1.1782 | |
| 910 | T | A | 1.5366 | |
| 911 | V | A | 1.8944 | |
| 912 | T | A | 0.0840 | |
| 913 | Q | A | -0.9327 | |
| 914 | T | A | -0.8685 | |
| 915 | P | A | -0.7644 | |
| 916 | S | A | -0.8029 | |
| 917 | S | A | -1.0553 | |
| 918 | G | A | -1.3337 | |
| 919 | D | A | -1.6005 | |
| 920 | W | A | 0.3827 | |
| 921 | G | A | 0.5382 | |
| 922 | L | A | 1.2030 | |
| 923 | P | A | -0.0999 | |
| 924 | N | A | -1.4928 | |
| 925 | S | A | -1.6817 | |
| 926 | K | A | -2.3517 | |
| 927 | A | A | -1.4888 | |
| 928 | G | A | -1.7862 | |
| 929 | R | A | -2.2719 | |
| 930 | M | A | -0.9884 | |
| 931 | E | A | -1.7210 | |
| 932 | P | A | -0.9095 | |
| 933 | M | A | -0.3115 | |
| 934 | N | A | -1.1326 | |
| 935 | S | A | -1.2947 | |
| 936 | N | A | -1.4895 | |
| 937 | S | A | -0.5942 | |
| 938 | M | A | -0.0460 | |
| 939 | G | A | -1.0656 | |
| 940 | R | A | -2.1369 | |
| 941 | P | A | -1.8227 | |
| 942 | G | A | -1.6112 | |
| 943 | G | A | -1.6951 | |
| 944 | D | A | -1.7807 | |
| 945 | Y | A | -0.4576 | |
| 946 | N | A | -1.1280 | |
| 947 | T | A | -0.2561 | |
| 948 | S | A | 0.1056 | |
| 949 | L | A | 0.8401 | |
| 950 | P | A | -0.3335 | |
| 951 | R | A | -1.7054 | |
| 952 | P | A | -0.8796 | |
| 953 | A | A | 0.0507 | |
| 954 | L | A | 1.1375 | |
| 955 | G | A | 0.1640 | |
| 956 | G | A | -0.0181 | |
| 957 | S | A | 0.4011 | |
| 958 | I | A | 1.8129 | |
| 959 | P | A | 1.0041 | |
| 960 | T | A | 1.1228 | |
| 961 | L | A | 1.7404 | |
| 962 | P | A | 0.8135 | |
| 963 | L | A | 1.2366 | |
| 964 | R | A | -0.9159 | |
| 965 | S | A | -1.2672 | |
| 966 | N | A | -0.9130 | |
| 967 | S | A | -0.1110 | |
| 968 | I | A | 1.2729 | |
| 969 | P | A | 0.2373 | |
| 970 | G | A | -0.4801 | |
| 971 | A | A | -0.9869 | |
| 972 | R | A | -1.5319 | |
| 973 | P | A | -0.1321 | |
| 974 | V | A | 1.7137 | |
| 975 | L | A | 1.1583 | |
| 976 | Q | A | -0.7963 | |
| 977 | Q | A | -2.3546 | |
| 978 | Q | A | -2.7839 | |
| 979 | Q | A | -2.3797 | |
| 980 | Q | A | -1.1857 | |
| 981 | M | A | 0.6702 | |
| 982 | L | A | 1.1186 | |
| 983 | Q | A | -0.0980 | |
| 984 | M | A | -0.1000 | |
| 985 | R | A | -1.5473 | |
| 986 | P | A | -1.4834 | |
| 987 | G | A | -1.4525 | |
| 988 | E | A | -1.0736 | |
| 989 | I | A | 1.0201 | |
| 990 | P | A | 0.7152 | |
| 991 | M | A | 1.3317 | |
| 992 | G | A | 0.4901 | |
| 993 | M | A | 0.8052 | |
| 994 | G | A | -0.2951 | |
| 995 | A | A | -0.6328 | |
| 996 | N | A | -1.2116 | |
| 997 | P | A | -0.4178 | |
| 998 | Y | A | 0.4712 | |
| 999 | G | A | -0.4425 | |
| 1000 | Q | A | -1.1143 | |
| 1001 | A | A | -0.5994 | |
| 1002 | A | A | -0.1751 | |
| 1003 | A | A | -0.2735 | |
| 1004 | S | A | -1.0315 | |
| 1005 | N | A | -1.6362 | |
| 1006 | Q | A | -1.1963 | |
| 1007 | L | A | 0.4416 | |
| 1008 | G | A | 0.2057 | |
| 1009 | S | A | 0.3736 | |
| 1010 | W | A | 0.4293 | |
| 1011 | P | A | -0.6880 | |
| 1012 | D | A | -1.6373 | |
| 1013 | G | A | -0.4362 | |
| 1014 | M | A | 1.1835 | |
| 1015 | L | A | 1.8855 | |
| 1016 | S | A | 0.7932 | |
| 1017 | M | A | 0.2510 | |
| 1018 | E | A | -1.3828 | |
| 1019 | Q | A | -1.1192 | |
| 1020 | V | A | 0.5653 | |
| 1021 | S | A | -0.2589 | |
| 1022 | H | A | -0.9607 | |
| 1023 | G | A | -1.3081 | |
| 1024 | T | A | -1.3754 | |
| 1025 | Q | A | -2.1559 | |
| 1026 | N | A | -2.2049 | |
| 1027 | R | A | -1.7393 | |
| 1028 | P | A | -0.1359 | |
| 1029 | L | A | 1.3124 | |
| 1030 | L | A | 0.8865 | |
| 1031 | R | A | -1.2999 | |
| 1032 | N | A | -1.8017 | |
| 1033 | S | A | -1.1113 | |
| 1034 | L | A | 0.0121 | |
| 1035 | D | A | -1.5728 | |
| 1036 | D | A | -1.1701 | |
| 1037 | L | A | 1.3286 | |
| 1038 | V | A | 1.6460 | |
| 1039 | G | A | 0.3420 | |
| 1040 | P | A | -0.1201 | |
| 1041 | P | A | -0.4538 | |
| 1042 | S | A | -0.9343 | |
| 1043 | N | A | -1.5607 | |
| 1044 | L | A | -0.7209 | |
| 1045 | E | A | -2.5766 | |
| 1046 | G | A | -2.9630 | |
| 1047 | Q | A | -3.3161 | |
| 1048 | S | A | -2.8672 | |
| 1049 | D | A | -3.8933 | |
| 1050 | E | A | -4.1259 | |
| 1051 | R | A | -3.6953 | |
| 1052 | A | A | -2.5227 | |
| 1053 | L | A | -1.3414 | |
| 1054 | L | A | -1.4113 | |
| 1055 | D | A | -2.4902 | |
| 1056 | Q | A | -1.5785 | |
| 1057 | L | A | 0.0825 | |
| 1058 | H | A | -0.8263 | |
| 1059 | T | A | -0.5754 | |
| 1060 | L | A | 0.3011 | |
| 1061 | L | A | 0.5007 | |
| 1062 | S | A | -0.5057 | |
| 1063 | N | A | -1.1727 | |
| 1064 | T | A | -1.0667 | |
| 1065 | D | A | -2.0521 | |
| 1066 | A | A | -1.0946 | |
| 1067 | T | A | -1.2352 | |
| 1068 | G | A | -1.4343 | |
| 1069 | L | A | -0.9301 | |
| 1070 | E | A | -1.7909 | |
| 1071 | E | A | -2.2130 | |
| 1072 | I | A | -0.3229 | |
| 1073 | D | A | -1.1887 | |
| 1074 | R | A | -1.5746 | |
| 1075 | A | A | -0.2001 | |
| 1076 | L | A | 0.9013 | |
| 1077 | G | A | -0.1142 | |
| 1078 | I | A | 0.3955 | |
| 1079 | P | A | -0.1347 | |
| 1080 | E | A | -1.0039 | |
| 1081 | L | A | 1.1343 | |
| 1082 | V | A | 0.8833 | |
| 1083 | N | A | -1.3348 | |
| 1084 | Q | A | -1.7130 | |
| 1085 | G | A | -1.3488 | |
| 1086 | Q | A | -1.7861 | |
| 1087 | A | A | -0.5170 | |
| 1088 | L | A | 0.0687 | |
| 1089 | E | A | -1.9914 | |
| 1090 | P | A | -2.0943 | |
| 1091 | K | A | -3.1875 | |
| 1092 | Q | A | -3.1674 | |
| 1093 | D | A | -2.3849 | |
| 1094 | A | A | -0.6416 | |
| 1095 | F | A | 0.9326 | |
| 1096 | Q | A | -0.9819 | |
| 1097 | G | A | -1.8018 | |
| 1098 | Q | A | -2.6755 | |
| 1099 | E | A | -2.6520 | |
| 1100 | A | A | -0.6669 | |
| 1101 | A | A | 0.7515 | |
| 1102 | V | A | 2.5519 | |
| 1103 | M | A | 2.1349 | |
| 1104 | M | A | 0.8492 | |
| 1105 | D | A | -1.9948 | |
| 1106 | Q | A | -2.7325 | |
| 1107 | K | A | -2.7694 | |
| 1108 | A | A | -0.9260 | |
| 1109 | G | A | 0.3298 | |
| 1110 | L | A | 1.7009 | |
| 1111 | Y | A | 1.3956 | |
| 1112 | G | A | -0.0042 | |
| 1113 | Q | A | -0.7033 | |
| 1114 | T | A | -0.0922 | |
| 1115 | Y | A | 0.9040 | |
| 1116 | P | A | 0.1390 | |
| 1117 | A | A | -0.5870 | |
| 1118 | Q | A | -1.5222 | |
| 1119 | G | A | -1.2729 | |
| 1120 | P | A | -0.6203 | |
| 1121 | P | A | -0.2111 | |
| 1122 | M | A | 0.2010 | |
| 1123 | Q | A | -1.1230 | |
| 1124 | G | A | -0.7523 | |
| 1125 | G | A | -0.2401 | |
| 1126 | F | A | 1.4100 | |
| 1127 | H | A | 0.4058 | |
| 1128 | L | A | 0.6610 | |
| 1129 | Q | A | -1.0419 | |
| 1130 | G | A | -1.3248 | |
| 1131 | Q | A | -1.8323 | |
| 1132 | S | A | -0.8970 | |
| 1133 | P | A | -0.3159 | |
| 1134 | S | A | 0.4190 | |
| 1135 | F | A | 1.0928 | |
| 1136 | N | A | -0.2729 | |
| 1137 | S | A | 0.3859 | |
| 1138 | M | A | 0.9834 | |
| 1139 | M | A | 0.7322 | |
| 1140 | N | A | -0.9749 | |
| 1141 | Q | A | -1.7177 | |
| 1142 | M | A | -0.9524 | |
| 1143 | N | A | -1.8417 | |
| 1144 | Q | A | -2.2998 | |
| 1145 | Q | A | -2.5708 | |
| 1146 | G | A | -1.6255 | |
| 1147 | N | A | -0.8118 | |
| 1148 | F | A | 1.4103 | |
| 1149 | P | A | 1.0620 | |
| 1150 | L | A | 1.2723 | |
| 1151 | Q | A | -0.5556 | |
| 1152 | G | A | -0.3799 | |
| 1153 | M | A | 0.1287 | |
| 1154 | H | A | -1.1871 | |
| 1155 | P | A | -1.4367 | |
| 1156 | R | A | -2.4101 | |
| 1157 | A | A | -1.1778 | |
| 1158 | N | A | -0.4794 | |
| 1159 | I | A | 1.5397 | |
| 1160 | M | A | 0.6812 | |
| 1161 | R | A | -1.5035 | |
| 1162 | P | A | -1.7502 | |
| 1163 | R | A | -2.6698 | |
| 1164 | T | A | -1.8765 | |
| 1165 | N | A | -2.3542 | |
| 1166 | T | A | -1.7058 | |
| 1167 | P | A | -1.5472 | |
| 1168 | K | A | -2.6164 | |
| 1169 | Q | A | -2.0322 | |
| 1170 | L | A | -0.7354 | |
| 1171 | R | A | -2.3447 | |
| 1172 | M | A | -1.2466 | |
| 1173 | Q | A | -1.7656 | |
| 1174 | L | A | -1.3378 | |
| 1175 | Q | A | -2.0860 | |
| 1176 | Q | A | -2.5462 | |
| 1177 | R | A | -2.7442 | |
| 1178 | L | A | -0.7605 | |
| 1179 | Q | A | -1.6611 | |
| 1180 | G | A | -1.0047 | |
| 1181 | Q | A | -1.0130 | |
| 1182 | Q | A | -0.9339 | |
| 1183 | F | A | 0.9132 | |
| 1184 | L | A | 0.3893 | |
| 1185 | N | A | -1.5354 | |
| 1186 | Q | A | -1.7394 | |
| 1187 | S | A | -1.1692 | |
| 1188 | R | A | -2.4601 | |
| 1189 | Q | A | -2.2960 | |
| 1190 | A | A | -0.9896 | |
| 1191 | L | A | -0.1636 | |
| 1192 | E | A | -1.2498 | |
| 1193 | L | A | 0.2786 | |
| 1194 | K | A | -1.0277 | |
| 1195 | M | A | -0.8004 | |
| 1196 | E | A | -2.2824 | |
| 1197 | N | A | -2.2670 | |
| 1198 | P | A | -1.7426 | |
| 1199 | T | A | -0.8371 | |
| 1200 | A | A | -0.9434 | |
| 1201 | G | A | -0.7107 | |
| 1202 | G | A | -0.6433 | |
| 1203 | A | A | 0.1607 | |
| 1204 | A | A | 1.1811 | |
| 1205 | V | A | 1.9348 | |
| 1206 | M | A | 1.0063 | |
| 1207 | R | A | -0.7111 | |
| 1208 | P | A | -0.1831 | |
| 1209 | M | A | 0.6778 | |
| 1210 | M | A | 0.6937 | |
| 1211 | Q | A | -0.7006 | |
| 1212 | P | A | -0.9142 | |
| 1213 | Q | A | -0.8353 | |
| 1214 | V | A | 0.8555 | |
| 1215 | S | A | 0.0290 | |
| 1216 | S | A | -0.7453 | |
| 1217 | Q | A | -2.0277 | |
| 1218 | Q | A | -1.3786 | |
| 1219 | G | A | -0.0890 | |
| 1220 | F | A | 1.8448 | |
| 1221 | L | A | 1.8714 | |
| 1222 | N | A | 0.1340 | |
| 1223 | A | A | -0.0768 | |
| 1224 | Q | A | -1.1525 | |
| 1225 | M | A | -0.3110 | |
| 1226 | V | A | 0.0410 | |
| 1227 | A | A | -1.3721 | |
| 1228 | Q | A | -2.4309 | |
| 1229 | R | A | -2.4910 | |
| 1230 | S | A | -1.7274 | |
| 1231 | R | A | -2.7390 | |
| 1232 | E | A | -2.4111 | |
| 1233 | L | A | -0.9403 | |
| 1234 | L | A | -0.4729 | |
| 1235 | S | A | -1.3649 | |
| 1236 | H | A | -2.2151 | |
| 1237 | H | A | -1.8630 | |
| 1238 | F | A | -0.8558 | |
| 1239 | R | A | -2.6706 | |
| 1240 | Q | A | -2.5736 | |
| 1241 | Q | A | -2.0884 | |
| 1242 | R | A | -2.0991 | |
| 1243 | V | A | -0.4701 | |
| 1244 | A | A | -0.4625 | |
| 1245 | M | A | -0.3588 | |
| 1246 | M | A | 0.0255 | |
| 1247 | M | A | -0.5106 | |
| 1248 | Q | A | -2.1631 | |
| 1249 | Q | A | -2.7134 | |
| 1250 | Q | A | -3.3357 | |
| 1251 | Q | A | -3.9631 | |
| 1252 | Q | A | -4.4232 | |
| 1253 | Q | A | -4.7100 | |
| 1254 | Q | A | -4.9016 | |
| 1255 | Q | A | -4.9158 | |
| 1256 | Q | A | -4.9063 | |
| 1257 | Q | A | -4.8864 | |
| 1258 | Q | A | -4.8358 | |
| 1259 | Q | A | -4.8282 | |
| 1260 | Q | A | -4.8675 | |
| 1261 | Q | A | -4.8720 | |
| 1262 | Q | A | -4.8486 | |
| 1263 | Q | A | -4.7825 | |
| 1264 | Q | A | -4.7609 | |
| 1265 | Q | A | -4.5838 | |
| 1266 | Q | A | -4.5041 | |
| 1267 | Q | A | -4.2538 | |
| 1268 | Q | A | -4.1913 | |
| 1269 | Q | A | -3.8267 | |
| 1270 | Q | A | -3.7835 | |
| 1271 | Q | A | -3.7172 | |
| 1272 | Q | A | -3.6046 | |
| 1273 | Q | A | -3.6066 | |
| 1274 | Q | A | -3.5861 | |
| 1275 | Q | A | -3.4859 | |
| 1276 | Q | A | -3.1597 | |
| 1277 | T | A | -1.5263 | |
| 1278 | Q | A | -1.1846 | |
| 1279 | A | A | 0.7468 | |
| 1280 | F | A | 2.1308 | |
| 1281 | S | A | 1.0625 | |
| 1282 | P | A | 0.2042 | |
| 1283 | P | A | -0.7732 | |
| 1284 | P | A | -0.6853 | |
| 1285 | N | A | -0.5900 | |
| 1286 | V | A | 1.0584 | |
| 1287 | T | A | 0.4567 | |
| 1288 | A | A | 0.0789 | |
| 1289 | S | A | -0.1448 | |
| 1290 | P | A | -0.4147 | |
| 1291 | S | A | -0.2358 | |
| 1292 | M | A | -0.0453 | |
| 1293 | D | A | -1.1281 | |
| 1294 | G | A | -0.2400 | |
| 1295 | L | A | 1.5059 | |
| 1296 | L | A | 1.7248 | |
| 1297 | A | A | 0.8275 | |
| 1298 | G | A | -0.7932 | |
| 1299 | P | A | -0.7788 | |
| 1300 | T | A | -0.0470 | |
| 1301 | M | A | 0.5702 | |
| 1302 | P | A | -0.2448 | |
| 1303 | Q | A | -1.1244 | |
| 1304 | A | A | -0.7589 | |
| 1305 | P | A | -0.8560 | |
| 1306 | P | A | -1.1869 | |
| 1307 | Q | A | -1.5736 | |
| 1308 | Q | A | -0.9299 | |
| 1309 | F | A | 1.2784 | |
| 1310 | P | A | 0.9954 | |
| 1311 | Y | A | 0.8654 | |
| 1312 | Q | A | -0.9596 | |
| 1313 | P | A | -1.0918 | |
| 1314 | N | A | -1.0879 | |
| 1315 | Y | A | 0.4560 | |
| 1316 | G | A | 0.3682 | |
| 1317 | M | A | 0.5960 | |
| 1318 | G | A | -0.6549 | |
| 1319 | Q | A | -1.9153 | |
| 1320 | Q | A | -2.4182 | |
| 1321 | P | A | -2.0140 | |
| 1322 | D | A | -2.4837 | |
| 1323 | P | A | -1.2951 | |
| 1324 | A | A | -0.4869 | |
| 1325 | F | A | 0.8740 | |
| 1326 | G | A | -0.1270 | |
| 1327 | R | A | -0.6211 | |
| 1328 | V | A | 1.1613 | |
| 1329 | S | A | 0.0611 | |
| 1330 | S | A | -0.1245 | |
| 1331 | P | A | -0.8238 | |
| 1332 | P | A | -1.0346 | |
| 1333 | N | A | -1.2291 | |
| 1334 | A | A | 0.1296 | |
| 1335 | M | A | 1.3560 | |
| 1336 | M | A | 1.4640 | |
| 1337 | S | A | 0.0735 | |
| 1338 | S | A | -0.8551 | |
| 1339 | R | A | -1.5790 | |
| 1340 | M | A | -0.2005 | |
| 1341 | G | A | -0.6582 | |
| 1342 | P | A | -0.6410 | |
| 1343 | S | A | -1.4574 | |
| 1344 | Q | A | -2.0819 | |
| 1345 | N | A | -1.7994 | |
| 1346 | P | A | -0.5029 | |
| 1347 | M | A | 0.8474 | |
| 1348 | M | A | 0.8260 | |
| 1349 | Q | A | -1.0321 | |
| 1350 | H | A | -1.6810 | |
| 1351 | P | A | -1.6243 | |
| 1352 | Q | A | -1.4732 | |
| 1353 | A | A | -0.6905 | |
| 1354 | A | A | 0.3066 | |
| 1355 | S | A | 1.0557 | |
| 1356 | I | A | 2.3044 | |
| 1357 | Y | A | 1.5433 | |
| 1358 | Q | A | -0.1950 | |
| 1359 | S | A | -0.9737 | |
| 1360 | S | A | -1.2617 | |
| 1361 | E | A | -1.8020 | |
| 1362 | M | A | -0.8032 | |
| 1363 | K | A | -1.5403 | |
| 1364 | G | A | -0.5580 | |
| 1365 | W | A | 0.3722 | |
| 1366 | P | A | -0.0561 | |
| 1367 | S | A | -0.5775 | |
| 1368 | G | A | -0.7705 | |
| 1369 | N | A | -1.0139 | |
| 1370 | L | A | 0.3027 | |
| 1371 | A | A | -0.9105 | |
| 1372 | R | A | -2.2744 | |
| 1373 | N | A | -2.1320 | |
| 1374 | S | A | -0.9374 | |
| 1375 | S | A | 0.1875 | |
| 1376 | F | A | 1.1891 | |
| 1377 | S | A | -0.3727 | |
| 1378 | Q | A | -1.4411 | |
| 1379 | Q | A | -1.6729 | |
| 1380 | Q | A | -1.3679 | |
| 1381 | F | A | 0.4646 | |
| 1382 | A | A | -0.3173 | |
| 1383 | H | A | -1.5689 | |
| 1384 | Q | A | -2.0534 | |
| 1385 | G | A | -2.0937 | |
| 1386 | N | A | -1.7996 | |
| 1387 | P | A | -0.7674 | |
| 1388 | A | A | 0.9760 | |
| 1389 | V | A | 2.1867 | |
| 1390 | Y | A | 2.4995 | |
| 1391 | S | A | 1.7234 | |
| 1392 | M | A | 1.9741 | |
| 1393 | V | A | 2.0390 | |
| 1394 | H | A | 0.3084 | |
| 1395 | M | A | 0.4070 | |
| 1396 | N | A | -1.1510 | |
| 1397 | G | A | -1.2256 | |
| 1398 | S | A | -0.9224 | |
| 1399 | S | A | -0.8654 | |
| 1400 | G | A | -0.8724 | |
| 1401 | H | A | -0.8676 | |
| 1402 | M | A | 0.0481 | |
| 1403 | G | A | -0.6661 | |
| 1404 | Q | A | -0.9603 | |
| 1405 | M | A | -0.0025 | |
| 1406 | N | A | -0.8736 | |
| 1407 | M | A | 0.0371 | |
| 1408 | N | A | -0.8849 | |
| 1409 | P | A | -0.4311 | |
| 1410 | M | A | 0.7501 | |
| 1411 | P | A | 0.5179 | |
| 1412 | M | A | 0.9631 | |
| 1413 | S | A | 0.2284 | |
| 1414 | G | A | 0.1957 | |
| 1415 | M | A | 0.8309 | |
| 1416 | P | A | 0.4940 | |
| 1417 | M | A | 0.8703 | |
| 1418 | G | A | -0.5041 | |
| 1419 | P | A | -1.4384 | |
| 1420 | D | A | -2.9407 | |
| 1421 | Q | A | -2.5631 | |
| 1422 | K | A | -1.7431 | |
| 1423 | Y | A | 0.5265 | |
| 1424 | C | A | 0.9386 |
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 | -0.369 | 5.8968 | View | CSV | PDB |
| 4.5 | -0.4353 | 5.8968 | View | CSV | PDB |
| 5.0 | -0.516 | 5.8968 | View | CSV | PDB |
| 5.5 | -0.5959 | 5.8968 | View | CSV | PDB |
| 6.0 | -0.6604 | 5.8968 | View | CSV | PDB |
| 6.5 | -0.7014 | 5.8968 | View | CSV | PDB |
| 7.0 | -0.7202 | 5.8968 | View | CSV | PDB |
| 7.5 | -0.7241 | 5.8967 | View | CSV | PDB |
| 8.0 | -0.7191 | 5.8965 | View | CSV | PDB |
| 8.5 | -0.7063 | 5.8958 | View | CSV | PDB |
| 9.0 | -0.6836 | 5.8938 | 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