| Chain sequence(s) |
A: SSVLKTFERFTIQQELQEQSEDTPIPLETIRPTIRVFVINNNDPVVRSRLLFFNLRIIMSNTAREGHRAGALLSLLSLPSAAMSNHIKLAMHSPEASIDRVEITGFENNSFRVIPDARTSTMSRGEVLAFEALAEDIPDELTLNHQTPFVNLQNDVEDDIFDETEKFLDVCYSVLMQAWIVTCKCMTAPDQPPVSVAKRMAKYQQQGRINACRYVLQPEAQRLIQNAIRKSMVVRHFMTYELQLSQSRSLLANRYYAMVGDIGKYIEHSGMGGFFLTLKYGLGTRWPTLALAAFSGELQKLKALMLHYQSLGPMAKYMALLESPKLMDFVPSEYPLVYSYAMGIGTVLDTNMRNYAYGRSYLNPQYFQLGVETARKQQGAVDNRTAEDLGMTAADKADLTATISKLSLSQLPRGRQPISDPFAGANDRETGGQATDTPVYNFNSLNNRRYDNYDSDSEDRIDNDQDQAIRENRGEPGQPNNQTSENQQRLNLPVPQCTSGMSSEEFQHSMNQYIRAMHEQYRGSQDDDANDATDGNDISLELVGDFDSHHHHHH
B: SSVLKTFERFTIQQELQEQSEDTPIPLETIRPTIRVFVINNNDPVVRSRLLFFNLRIIMSNTAREGHRAGALLSLLSLPSAAMSNHIKLAMHSPEASIDRVEITGFENNSFRVIPDARTSTMSRGEVLAFEALAEDIPDELTLNHQTPFVNLQNDVEDDIFDETEKFLDVCYSVLMQAWIVTCKCMTAPDQPPVSVAKRMAKYQQQGRINACRYVLQPEAQRLIQNAIRKSMVVRHFMTYELQLSQSRSLLANRYYAMVGDIGKYIEHSGMGGFFLTLKYGLGTRWPTLALAAFSGELQKLKALMLHYQSLGPMAKYMALLESPKLMDFVPSEYPLVYSYAMGIGTVLDTNMRNYAYGRSYLNPQYFQLGVETARKQQGAVDNRTAEDLGMTAADKADLTATISKLSLSQLPRGRQPISDPFAGANDRETGGQATDTPVYNFNSLNNRRYDNYDSDSEDRIDNDQDQAIRENRGEPGQPNNQTSENQQRLNLPVPQCTSGMSSEEFQHSMNQYIRAMHEQYRGSQDDDANDATDGNDISLELVGDFDSHHHHHH input PDB |
| Selected Chain(s) | A,B |
| 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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:18:54)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/3258a0e1e3e95c6/tmp/folded.pdb (00:18:54)
[INFO] Main: Simulation completed successfully. (00:28:17)
|
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 | S | A | -0.0316 | |
| 2 | S | A | 0.5072 | |
| 3 | V | A | 1.9175 | |
| 4 | L | A | 1.4745 | |
| 5 | K | A | -0.7570 | |
| 6 | T | A | 0.1306 | |
| 7 | F | A | 0.8047 | |
| 8 | E | A | -1.0628 | |
| 9 | R | A | -1.4630 | |
| 10 | F | A | 0.4458 | |
| 11 | T | A | 0.0000 | |
| 12 | I | A | -0.9528 | |
| 13 | Q | A | -1.8660 | |
| 14 | Q | A | -2.1996 | |
| 15 | E | A | -1.8692 | |
| 16 | L | A | -1.6919 | |
| 17 | Q | A | -2.9801 | |
| 18 | E | A | -3.6591 | |
| 19 | Q | A | -3.3007 | |
| 20 | S | A | -2.9939 | |
| 21 | E | A | -3.1756 | |
| 22 | D | A | -2.9424 | |
| 23 | T | A | -1.8697 | |
| 24 | P | A | 0.0809 | |
| 25 | I | A | 1.3640 | |
| 26 | P | A | 0.9041 | |
| 27 | L | A | 1.2393 | |
| 28 | E | A | -0.8048 | |
| 29 | T | A | -0.2831 | |
| 30 | I | A | 0.6060 | |
| 31 | R | A | -1.5174 | |
| 32 | P | A | -0.9886 | |
| 33 | T | A | -0.9510 | |
| 34 | I | A | 0.0000 | |
| 35 | R | A | -1.1020 | |
| 36 | V | A | 0.0000 | |
| 37 | F | A | 0.0000 | |
| 38 | V | A | 0.0000 | |
| 39 | I | A | 0.0000 | |
| 40 | N | A | -2.0534 | |
| 41 | N | A | -1.9994 | |
| 42 | N | A | -2.1841 | |
| 43 | D | A | -1.7908 | |
| 44 | P | A | -0.9099 | |
| 45 | V | A | 0.2334 | |
| 46 | V | A | -0.1457 | |
| 47 | R | A | 0.0000 | |
| 48 | S | A | 0.0000 | |
| 49 | R | A | -0.0788 | |
| 50 | L | A | 0.0000 | |
| 51 | L | A | 0.0000 | |
| 52 | F | A | 0.0000 | |
| 53 | F | A | 0.0000 | |
| 54 | N | A | 0.0000 | |
| 55 | L | A | 0.0000 | |
| 56 | R | A | -0.9081 | |
| 57 | I | A | 0.0000 | |
| 58 | I | A | 0.0000 | |
| 59 | M | A | 0.0000 | |
| 60 | S | A | 0.0000 | |
| 61 | N | A | -2.1004 | |
| 62 | T | A | -1.6733 | |
| 63 | A | A | 0.0000 | |
| 64 | R | A | -3.1709 | |
| 65 | E | A | -3.3888 | |
| 66 | G | A | -2.2569 | |
| 67 | H | A | -1.8448 | |
| 68 | R | A | -1.8511 | |
| 69 | A | A | 0.0000 | |
| 70 | G | A | 0.0000 | |
| 71 | A | A | 0.0000 | |
| 72 | L | A | 0.0000 | |
| 73 | L | A | 0.0000 | |
| 74 | S | A | 0.0000 | |
| 75 | L | A | 0.0000 | |
| 76 | L | A | 0.0000 | |
| 77 | S | A | 0.0000 | |
| 78 | L | A | 0.0000 | |
| 79 | P | A | 0.0000 | |
| 80 | S | A | 0.0000 | |
| 81 | A | A | -1.3593 | |
| 82 | A | A | -1.1749 | |
| 83 | M | A | 0.0000 | |
| 84 | S | A | -1.2714 | |
| 85 | N | A | -1.5517 | |
| 86 | H | A | 0.0000 | |
| 87 | I | A | 0.0000 | |
| 88 | K | A | -1.6893 | |
| 89 | L | A | -0.6908 | |
| 90 | A | A | 0.0000 | |
| 91 | M | A | -0.5957 | |
| 92 | H | A | -1.0131 | |
| 93 | S | A | 0.0000 | |
| 94 | P | A | -1.1815 | |
| 95 | E | A | -1.2737 | |
| 96 | A | A | 0.0000 | |
| 97 | S | A | -0.8907 | |
| 98 | I | A | -1.1029 | |
| 99 | D | A | -1.3622 | |
| 100 | R | A | -1.6090 | |
| 101 | V | A | 0.0000 | |
| 102 | E | A | 0.0000 | |
| 103 | I | A | 0.0000 | |
| 104 | T | A | -0.3558 | |
| 105 | G | A | 0.0000 | |
| 106 | F | A | -0.7017 | |
| 107 | E | A | -1.8262 | |
| 108 | N | A | -2.3739 | |
| 109 | N | A | -2.4641 | |
| 110 | S | A | -1.7693 | |
| 111 | F | A | 0.0000 | |
| 112 | R | A | -1.1243 | |
| 113 | V | A | 0.0000 | |
| 114 | I | A | 0.1293 | |
| 115 | P | A | -0.3559 | |
| 116 | D | A | -0.8269 | |
| 117 | A | A | -0.9218 | |
| 118 | R | A | -1.9498 | |
| 119 | T | A | -1.1655 | |
| 120 | S | A | -0.8245 | |
| 121 | T | A | -0.8358 | |
| 122 | M | A | -0.6800 | |
| 123 | S | A | -1.2809 | |
| 124 | R | A | -2.0568 | |
| 125 | G | A | -1.4466 | |
| 126 | E | A | -1.1715 | |
| 127 | V | A | 0.0000 | |
| 128 | L | A | -0.2990 | |
| 129 | A | A | -0.5331 | |
| 130 | F | A | 0.0000 | |
| 131 | E | A | -0.7991 | |
| 132 | A | A | -0.7638 | |
| 133 | L | A | 0.0000 | |
| 134 | A | A | 0.0000 | |
| 135 | E | A | -2.4193 | |
| 136 | D | A | -2.0795 | |
| 137 | I | A | 0.0000 | |
| 138 | P | A | 0.0000 | |
| 139 | D | A | -2.5083 | |
| 140 | E | A | -2.6898 | |
| 141 | L | A | -0.3376 | |
| 142 | T | A | -0.8995 | |
| 143 | L | A | 0.0000 | |
| 144 | N | A | -2.4096 | |
| 145 | H | A | -2.3182 | |
| 146 | Q | A | -2.4583 | |
| 147 | T | A | 0.0000 | |
| 148 | P | A | 0.0000 | |
| 149 | F | A | 0.0000 | |
| 150 | V | A | 0.4331 | |
| 151 | N | A | -0.4042 | |
| 152 | L | A | 0.5063 | |
| 153 | Q | A | -1.2379 | |
| 154 | N | A | -2.2993 | |
| 155 | D | A | -2.1747 | |
| 156 | V | A | 0.0000 | |
| 157 | E | A | 0.0000 | |
| 158 | D | A | -2.1544 | |
| 159 | D | A | -0.8039 | |
| 160 | I | A | 0.8694 | |
| 161 | F | A | 0.0000 | |
| 162 | D | A | -1.3954 | |
| 163 | E | A | -1.3987 | |
| 164 | T | A | -1.4023 | |
| 165 | E | A | -1.6447 | |
| 166 | K | A | -1.2775 | |
| 167 | F | A | 0.0000 | |
| 168 | L | A | 0.0000 | |
| 169 | D | A | -0.9297 | |
| 170 | V | A | 0.0000 | |
| 171 | C | A | 0.0000 | |
| 172 | Y | A | 0.0000 | |
| 173 | S | A | 0.0000 | |
| 174 | V | A | 0.0000 | |
| 175 | L | A | 0.0000 | |
| 176 | M | A | 0.0000 | |
| 177 | Q | A | 0.0000 | |
| 178 | A | A | 0.0000 | |
| 179 | W | A | 0.0000 | |
| 180 | I | A | 0.0000 | |
| 181 | V | A | 0.0000 | |
| 182 | T | A | 0.0000 | |
| 183 | C | A | 0.0931 | |
| 184 | K | A | 0.0000 | |
| 185 | C | A | 0.0000 | |
| 186 | M | A | -0.3859 | |
| 187 | T | A | -1.0789 | |
| 188 | A | A | -1.8815 | |
| 189 | P | A | -1.5326 | |
| 190 | D | A | -2.2476 | |
| 191 | Q | A | -1.6515 | |
| 192 | P | A | -0.5427 | |
| 193 | P | A | -0.0647 | |
| 194 | V | A | 1.2282 | |
| 195 | S | A | 0.0570 | |
| 196 | V | A | 0.2425 | |
| 197 | A | A | 0.0348 | |
| 198 | K | A | -0.8476 | |
| 199 | R | A | 0.0000 | |
| 200 | M | A | 0.0000 | |
| 201 | A | A | -1.1249 | |
| 202 | K | A | -1.7652 | |
| 203 | Y | A | 0.0000 | |
| 204 | Q | A | -1.4482 | |
| 205 | Q | A | -2.1313 | |
| 206 | Q | A | -1.8383 | |
| 207 | G | A | -1.6281 | |
| 208 | R | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | N | A | -0.6813 | |
| 211 | A | A | -0.1369 | |
| 212 | C | A | 0.5572 | |
| 213 | R | A | -0.4787 | |
| 214 | Y | A | 0.0000 | |
| 215 | V | A | 0.2158 | |
| 216 | L | A | 0.0000 | |
| 217 | Q | A | 0.0000 | |
| 218 | P | A | -0.7229 | |
| 219 | E | A | -1.2036 | |
| 220 | A | A | 0.0000 | |
| 221 | Q | A | -1.1782 | |
| 222 | R | A | -1.9866 | |
| 223 | L | A | -1.0800 | |
| 224 | I | A | 0.0000 | |
| 225 | Q | A | -1.3978 | |
| 226 | N | A | -1.8101 | |
| 227 | A | A | 0.0000 | |
| 228 | I | A | 0.0000 | |
| 229 | R | A | -1.7484 | |
| 230 | K | A | -2.5687 | |
| 231 | S | A | 0.0000 | |
| 232 | M | A | -0.7929 | |
| 233 | V | A | 0.0000 | |
| 234 | V | A | 0.0000 | |
| 235 | R | A | 0.0000 | |
| 236 | H | A | -0.0709 | |
| 237 | F | A | 0.0000 | |
| 238 | M | A | 0.0000 | |
| 239 | T | A | 0.0000 | |
| 240 | Y | A | 0.2583 | |
| 241 | E | A | 0.0000 | |
| 242 | L | A | 0.0000 | |
| 243 | Q | A | 0.0625 | |
| 244 | L | A | 0.0000 | |
| 245 | S | A | -0.0747 | |
| 246 | Q | A | -0.6054 | |
| 247 | S | A | -0.8717 | |
| 248 | R | A | -1.6219 | |
| 249 | S | A | -0.5142 | |
| 250 | L | A | 0.0000 | |
| 251 | L | A | -0.2159 | |
| 252 | A | A | -0.3520 | |
| 253 | N | A | 0.0000 | |
| 254 | R | A | -0.5918 | |
| 255 | Y | A | 0.0000 | |
| 256 | Y | A | 0.0000 | |
| 257 | A | A | 0.0000 | |
| 258 | M | A | 0.0000 | |
| 259 | V | A | 0.0000 | |
| 260 | G | A | -0.4119 | |
| 261 | D | A | -0.3795 | |
| 262 | I | A | 0.0000 | |
| 263 | G | A | 0.0000 | |
| 264 | K | A | -0.7111 | |
| 265 | Y | A | -0.6940 | |
| 266 | I | A | 0.0000 | |
| 267 | E | A | 0.0000 | |
| 268 | H | A | -0.4492 | |
| 269 | S | A | -0.8325 | |
| 270 | G | A | -0.7860 | |
| 271 | M | A | 0.0000 | |
| 272 | G | A | -0.7152 | |
| 273 | G | A | 0.0000 | |
| 274 | F | A | 0.0000 | |
| 275 | F | A | 0.0975 | |
| 276 | L | A | 0.0695 | |
| 277 | T | A | 0.0000 | |
| 278 | L | A | 0.0000 | |
| 279 | K | A | -0.4653 | |
| 280 | Y | A | 0.0000 | |
| 281 | G | A | 0.0000 | |
| 282 | L | A | 0.0000 | |
| 283 | G | A | 0.0000 | |
| 284 | T | A | 0.0000 | |
| 285 | R | A | -0.4219 | |
| 286 | W | A | 0.0000 | |
| 287 | P | A | -0.1922 | |
| 288 | T | A | 0.1656 | |
| 289 | L | A | 0.2341 | |
| 290 | A | A | 0.3372 | |
| 291 | L | A | 0.6906 | |
| 292 | A | A | 0.3138 | |
| 293 | A | A | 0.2356 | |
| 294 | F | A | 0.0000 | |
| 295 | S | A | -0.2409 | |
| 296 | G | A | -0.6441 | |
| 297 | E | A | -0.7313 | |
| 298 | L | A | -0.2897 | |
| 299 | Q | A | -0.8885 | |
| 300 | K | A | -1.1677 | |
| 301 | L | A | 0.0000 | |
| 302 | K | A | -0.2901 | |
| 303 | A | A | 0.0000 | |
| 304 | L | A | 0.0000 | |
| 305 | M | A | 0.0000 | |
| 306 | L | A | 0.0720 | |
| 307 | H | A | 0.0000 | |
| 308 | Y | A | 0.0000 | |
| 309 | Q | A | -0.3896 | |
| 310 | S | A | -0.5838 | |
| 311 | L | A | -0.3177 | |
| 312 | G | A | -0.3034 | |
| 313 | P | A | -0.4335 | |
| 314 | M | A | 0.0755 | |
| 315 | A | A | 0.0000 | |
| 316 | K | A | -0.3838 | |
| 317 | Y | A | 0.0000 | |
| 318 | M | A | 0.0000 | |
| 319 | A | A | -0.6888 | |
| 320 | L | A | 0.0000 | |
| 321 | L | A | -0.7119 | |
| 322 | E | A | -1.6684 | |
| 323 | S | A | -1.0471 | |
| 324 | P | A | -0.7712 | |
| 325 | K | A | -0.9201 | |
| 326 | L | A | -0.2958 | |
| 327 | M | A | 0.1844 | |
| 328 | D | A | -0.6981 | |
| 329 | F | A | 0.0000 | |
| 330 | V | A | 0.0932 | |
| 331 | P | A | 0.0000 | |
| 332 | S | A | -0.4026 | |
| 333 | E | A | -0.9478 | |
| 334 | Y | A | 0.0000 | |
| 335 | P | A | -0.2181 | |
| 336 | L | A | -0.0335 | |
| 337 | V | A | 0.0000 | |
| 338 | Y | A | 0.0000 | |
| 339 | S | A | 0.0000 | |
| 340 | Y | A | 0.0000 | |
| 341 | A | A | 0.0000 | |
| 342 | M | A | 0.0000 | |
| 343 | G | A | 0.0000 | |
| 344 | I | A | 0.0000 | |
| 345 | G | A | 0.0000 | |
| 346 | T | A | -0.5047 | |
| 347 | V | A | -0.3842 | |
| 348 | L | A | 0.0000 | |
| 349 | D | A | -0.5420 | |
| 350 | T | A | -0.9925 | |
| 351 | N | A | -1.6688 | |
| 352 | M | A | 0.0000 | |
| 353 | R | A | -2.5070 | |
| 354 | N | A | -2.4223 | |
| 355 | Y | A | 0.0000 | |
| 356 | A | A | -1.3729 | |
| 357 | Y | A | -0.7129 | |
| 358 | G | A | -0.6465 | |
| 359 | R | A | -1.1399 | |
| 360 | S | A | -0.6900 | |
| 361 | Y | A | -0.3116 | |
| 362 | L | A | 0.0000 | |
| 363 | N | A | -0.6454 | |
| 364 | P | A | -0.8218 | |
| 365 | Q | A | -1.3062 | |
| 366 | Y | A | -0.5589 | |
| 367 | F | A | -0.5504 | |
| 368 | Q | A | -1.2722 | |
| 369 | L | A | -0.7253 | |
| 370 | G | A | 0.0000 | |
| 371 | V | A | -1.2343 | |
| 372 | E | A | -2.2194 | |
| 373 | T | A | 0.0000 | |
| 374 | A | A | 0.0000 | |
| 375 | R | A | -3.0435 | |
| 376 | K | A | -3.0578 | |
| 377 | Q | A | -1.8401 | |
| 378 | Q | A | -1.6478 | |
| 379 | G | A | -1.1839 | |
| 380 | A | A | -0.8840 | |
| 381 | V | A | -0.6760 | |
| 382 | D | A | -1.8697 | |
| 383 | N | A | -3.0594 | |
| 384 | R | A | -3.6403 | |
| 385 | T | A | -2.6499 | |
| 386 | A | A | 0.0000 | |
| 387 | E | A | -3.8532 | |
| 388 | D | A | -3.6322 | |
| 389 | L | A | -2.2922 | |
| 390 | G | A | -2.3124 | |
| 391 | M | A | -1.4910 | |
| 392 | T | A | -0.8156 | |
| 393 | A | A | -0.5545 | |
| 394 | A | A | -0.8134 | |
| 395 | D | A | -1.3994 | |
| 396 | K | A | -1.3851 | |
| 397 | A | A | -1.1759 | |
| 398 | D | A | -2.1105 | |
| 399 | L | A | 0.0000 | |
| 400 | T | A | -1.0398 | |
| 401 | A | A | -1.1748 | |
| 402 | T | A | 0.0000 | |
| 403 | I | A | 0.0000 | |
| 404 | S | A | -0.9693 | |
| 405 | K | A | -1.2803 | |
| 406 | L | A | 0.0000 | |
| 407 | S | A | -0.3577 | |
| 408 | L | A | 1.0178 | |
| 409 | S | A | 0.1426 | |
| 410 | Q | A | -0.3870 | |
| 411 | L | A | 0.6012 | |
| 412 | P | A | -1.1384 | |
| 413 | R | A | -2.5135 | |
| 414 | G | A | -2.5110 | |
| 415 | R | A | -2.6915 | |
| 416 | Q | A | -2.0768 | |
| 417 | P | A | -0.7838 | |
| 418 | I | A | 0.6120 | |
| 419 | S | A | -0.2977 | |
| 420 | D | A | -0.9766 | |
| 421 | P | A | -0.3724 | |
| 422 | F | A | 0.1207 | |
| 423 | A | A | -0.8060 | |
| 424 | G | A | -1.3555 | |
| 425 | A | A | -1.3799 | |
| 426 | N | A | -2.9847 | |
| 427 | D | A | -3.9864 | |
| 428 | R | A | -4.1637 | |
| 429 | E | A | -3.7303 | |
| 430 | T | A | -2.1003 | |
| 431 | G | A | -1.6855 | |
| 432 | G | A | -1.4614 | |
| 433 | Q | A | -1.7264 | |
| 434 | A | A | -1.2531 | |
| 435 | T | A | -1.3502 | |
| 436 | D | A | -1.8258 | |
| 437 | T | A | -0.3571 | |
| 438 | P | A | 0.2072 | |
| 439 | V | A | 1.9146 | |
| 440 | Y | A | 1.8757 | |
| 441 | N | A | 0.3832 | |
| 442 | F | A | 1.5318 | |
| 443 | N | A | -0.3778 | |
| 444 | S | A | -0.2096 | |
| 445 | L | A | 0.2575 | |
| 446 | N | A | -1.9066 | |
| 447 | N | A | -2.7829 | |
| 448 | R | A | -3.3108 | |
| 449 | R | A | -3.3087 | |
| 450 | Y | A | -1.1178 | |
| 451 | D | A | -2.4378 | |
| 452 | N | A | -1.9944 | |
| 453 | Y | A | -0.9079 | |
| 454 | D | A | -2.3725 | |
| 455 | S | A | -1.9559 | |
| 456 | D | A | -2.6801 | |
| 457 | S | A | -2.4392 | |
| 458 | E | A | -2.7868 | |
| 459 | D | A | -3.3127 | |
| 460 | R | A | -2.6952 | |
| 461 | I | A | -2.0227 | |
| 462 | D | A | -2.6974 | |
| 463 | N | A | -2.6949 | |
| 464 | D | A | -2.8495 | |
| 465 | Q | A | -3.3366 | |
| 466 | D | A | -3.0174 | |
| 467 | Q | A | -2.0406 | |
| 468 | A | A | -0.8670 | |
| 469 | I | A | -0.0740 | |
| 470 | R | A | -2.4362 | |
| 471 | E | A | -3.4254 | |
| 472 | N | A | -3.6443 | |
| 473 | R | A | -4.0075 | |
| 474 | G | A | -2.8685 | |
| 475 | E | A | -2.8914 | |
| 476 | P | A | -1.9281 | |
| 477 | G | A | -1.5716 | |
| 478 | Q | A | -2.0200 | |
| 479 | P | A | -1.8488 | |
| 480 | N | A | -2.5737 | |
| 481 | N | A | -2.6945 | |
| 482 | Q | A | -2.3484 | |
| 483 | T | A | -1.6436 | |
| 484 | S | A | -1.9154 | |
| 485 | E | A | -3.0681 | |
| 486 | N | A | -3.2808 | |
| 487 | Q | A | -3.1561 | |
| 488 | Q | A | -2.9243 | |
| 489 | R | A | -2.4645 | |
| 490 | L | A | -0.3547 | |
| 491 | N | A | -0.7638 | |
| 492 | L | A | 0.5077 | |
| 493 | P | A | 0.5058 | |
| 494 | V | A | 1.4834 | |
| 495 | P | A | 0.1183 | |
| 496 | Q | A | -0.3548 | |
| 497 | C | A | 0.1192 | |
| 498 | T | A | -0.0616 | |
| 499 | S | A | -0.3110 | |
| 500 | G | A | -0.4223 | |
| 501 | M | A | -0.6259 | |
| 502 | S | A | -1.2707 | |
| 503 | S | A | -1.5880 | |
| 504 | E | A | -3.0139 | |
| 505 | E | A | -2.7117 | |
| 506 | F | A | -1.7110 | |
| 507 | Q | A | -2.7032 | |
| 508 | H | A | -2.7191 | |
| 509 | S | A | -1.6832 | |
| 510 | M | A | -1.1307 | |
| 511 | N | A | -1.8843 | |
| 512 | Q | A | -2.1262 | |
| 513 | Y | A | -0.8117 | |
| 514 | I | A | -0.8342 | |
| 515 | R | A | -2.7881 | |
| 516 | A | A | -1.7933 | |
| 517 | M | A | -1.6109 | |
| 518 | H | A | -2.7349 | |
| 519 | E | A | -3.4670 | |
| 520 | Q | A | -2.5412 | |
| 521 | Y | A | -1.3843 | |
| 522 | R | A | -3.2289 | |
| 523 | G | A | -3.0781 | |
| 524 | S | A | -2.8264 | |
| 525 | Q | A | -3.5049 | |
| 526 | D | A | -4.4215 | |
| 527 | D | A | -4.5056 | |
| 528 | D | A | -3.9981 | |
| 529 | A | A | -3.0169 | |
| 530 | N | A | -3.1096 | |
| 531 | D | A | -3.1497 | |
| 532 | A | A | -1.5590 | |
| 533 | T | A | -1.7624 | |
| 534 | D | A | -2.7972 | |
| 535 | G | A | -2.1188 | |
| 536 | N | A | -2.3600 | |
| 537 | D | A | -1.5661 | |
| 538 | I | A | 0.7889 | |
| 539 | S | A | 0.3751 | |
| 540 | L | A | 1.3040 | |
| 541 | E | A | 0.1962 | |
| 542 | L | A | 1.6485 | |
| 543 | V | A | 1.6461 | |
| 544 | G | A | 0.0126 | |
| 545 | D | A | -1.1742 | |
| 546 | F | A | 0.1120 | |
| 547 | D | A | -1.9692 | |
| 548 | S | A | -1.6584 | |
| 549 | H | A | -2.3178 | |
| 550 | H | A | -2.5423 | |
| 551 | H | A | -2.5629 | |
| 552 | H | A | -2.4939 | |
| 553 | H | A | -2.2846 | |
| 554 | H | A | -1.8616 | |
| 1 | S | B | -0.5237 | |
| 2 | S | B | -0.6573 | |
| 3 | V | B | -0.4724 | |
| 4 | L | B | -0.8863 | |
| 5 | K | B | -2.1658 | |
| 6 | T | B | -1.4553 | |
| 7 | F | B | -1.3009 | |
| 8 | E | B | -2.3882 | |
| 9 | R | B | -2.7195 | |
| 10 | F | B | 0.0000 | |
| 11 | T | B | -1.6143 | |
| 12 | I | B | -1.2945 | |
| 13 | Q | B | -1.5286 | |
| 14 | Q | B | -1.2680 | |
| 15 | E | B | -0.7977 | |
| 16 | L | B | -0.4599 | |
| 17 | Q | B | -1.7999 | |
| 18 | E | B | -1.6756 | |
| 19 | Q | B | -1.8347 | |
| 20 | S | B | -2.2152 | |
| 21 | E | B | -2.8902 | |
| 22 | D | B | -2.5688 | |
| 23 | T | B | -1.5514 | |
| 24 | P | B | -0.0582 | |
| 25 | I | B | 1.0690 | |
| 26 | P | B | 0.4076 | |
| 27 | L | B | -0.2892 | |
| 28 | E | B | -1.6367 | |
| 29 | T | B | 0.0000 | |
| 30 | I | B | 0.0000 | |
| 31 | R | B | -1.6384 | |
| 32 | P | B | 0.0000 | |
| 33 | T | B | -0.8894 | |
| 34 | I | B | 0.0000 | |
| 35 | R | B | -1.0870 | |
| 36 | V | B | 0.0000 | |
| 37 | F | B | 0.0000 | |
| 38 | V | B | 0.0000 | |
| 39 | I | B | 0.0000 | |
| 40 | N | B | -1.9443 | |
| 41 | N | B | -2.0071 | |
| 42 | N | B | -2.0521 | |
| 43 | D | B | -1.9271 | |
| 44 | P | B | -1.3837 | |
| 45 | V | B | -0.0013 | |
| 46 | V | B | -0.1471 | |
| 47 | R | B | 0.0000 | |
| 48 | S | B | 0.0000 | |
| 49 | R | B | -0.1111 | |
| 50 | L | B | 0.0000 | |
| 51 | L | B | 0.0000 | |
| 52 | F | B | 0.0000 | |
| 53 | F | B | 0.0000 | |
| 54 | N | B | 0.0000 | |
| 55 | L | B | 0.0000 | |
| 56 | R | B | -0.9397 | |
| 57 | I | B | 0.0000 | |
| 58 | I | B | 0.0000 | |
| 59 | M | B | 0.0000 | |
| 60 | S | B | 0.0000 | |
| 61 | N | B | -2.0962 | |
| 62 | T | B | -1.4799 | |
| 63 | A | B | 0.0000 | |
| 64 | R | B | -2.3571 | |
| 65 | E | B | -2.3904 | |
| 66 | G | B | -1.6208 | |
| 67 | H | B | -1.2539 | |
| 68 | R | B | -1.3774 | |
| 69 | A | B | 0.0000 | |
| 70 | G | B | 0.0000 | |
| 71 | A | B | 0.0000 | |
| 72 | L | B | 0.0000 | |
| 73 | L | B | 0.0000 | |
| 74 | S | B | 0.0000 | |
| 75 | L | B | 0.0000 | |
| 76 | L | B | 0.0000 | |
| 77 | S | B | 0.0000 | |
| 78 | L | B | 0.0000 | |
| 79 | P | B | -0.1363 | |
| 80 | S | B | -0.3608 | |
| 81 | A | B | -0.7079 | |
| 82 | A | B | -0.9253 | |
| 83 | M | B | 0.0000 | |
| 84 | S | B | -1.2943 | |
| 85 | N | B | -1.5971 | |
| 86 | H | B | 0.0000 | |
| 87 | I | B | 0.0000 | |
| 88 | K | B | -1.4856 | |
| 89 | L | B | -0.5893 | |
| 90 | A | B | 0.0000 | |
| 91 | M | B | -0.3769 | |
| 92 | H | B | -0.8305 | |
| 93 | S | B | 0.0000 | |
| 94 | P | B | -0.8874 | |
| 95 | E | B | -0.9497 | |
| 96 | A | B | 0.0000 | |
| 97 | S | B | -0.8411 | |
| 98 | I | B | -1.0303 | |
| 99 | D | B | -1.6005 | |
| 100 | R | B | -1.6717 | |
| 101 | V | B | 0.0000 | |
| 102 | E | B | 0.0000 | |
| 103 | I | B | 0.0000 | |
| 104 | T | B | -0.3589 | |
| 105 | G | B | 0.0000 | |
| 106 | F | B | -0.7400 | |
| 107 | E | B | -1.8484 | |
| 108 | N | B | -2.3785 | |
| 109 | N | B | -2.4822 | |
| 110 | S | B | -1.8070 | |
| 111 | F | B | 0.0000 | |
| 112 | R | B | -1.2360 | |
| 113 | V | B | 0.0000 | |
| 114 | I | B | 0.0677 | |
| 115 | P | B | -0.3839 | |
| 116 | D | B | -0.7920 | |
| 117 | A | B | -0.8944 | |
| 118 | R | B | -1.9342 | |
| 119 | T | B | -1.1458 | |
| 120 | S | B | -0.8346 | |
| 121 | T | B | -0.8586 | |
| 122 | M | B | -0.6904 | |
| 123 | S | B | -1.3180 | |
| 124 | R | B | -2.1141 | |
| 125 | G | B | -1.5234 | |
| 126 | E | B | -1.2855 | |
| 127 | V | B | 0.0000 | |
| 128 | L | B | -0.4221 | |
| 129 | A | B | -0.6132 | |
| 130 | F | B | 0.0000 | |
| 131 | E | B | -0.8859 | |
| 132 | A | B | -0.8208 | |
| 133 | L | B | 0.0000 | |
| 134 | A | B | 0.0000 | |
| 135 | E | B | -2.4662 | |
| 136 | D | B | -2.1879 | |
| 137 | I | B | 0.0000 | |
| 138 | P | B | 0.0000 | |
| 139 | D | B | -2.9397 | |
| 140 | E | B | -2.9015 | |
| 141 | L | B | -0.4907 | |
| 142 | T | B | -1.0363 | |
| 143 | L | B | 0.0000 | |
| 144 | N | B | -2.2780 | |
| 145 | H | B | -2.4584 | |
| 146 | Q | B | -2.8249 | |
| 147 | T | B | 0.0000 | |
| 148 | P | B | 0.0000 | |
| 149 | F | B | 0.0000 | |
| 150 | V | B | 0.2619 | |
| 151 | N | B | -0.3147 | |
| 152 | L | B | -0.0298 | |
| 153 | Q | B | -1.4079 | |
| 154 | N | B | -2.7368 | |
| 155 | D | B | -3.2372 | |
| 156 | V | B | 0.0000 | |
| 157 | E | B | -1.7391 | |
| 158 | D | B | -2.6669 | |
| 159 | D | B | -1.2633 | |
| 160 | I | B | 0.5586 | |
| 161 | F | B | 0.0000 | |
| 162 | D | B | -2.2139 | |
| 163 | E | B | -2.8311 | |
| 164 | T | B | -2.4677 | |
| 165 | E | B | -2.8916 | |
| 166 | K | B | -2.1446 | |
| 167 | F | B | 0.0000 | |
| 168 | L | B | -0.9182 | |
| 169 | D | B | -1.1294 | |
| 170 | V | B | 0.0000 | |
| 171 | C | B | 0.0000 | |
| 172 | Y | B | 0.0000 | |
| 173 | S | B | 0.0000 | |
| 174 | V | B | 0.0000 | |
| 175 | L | B | 0.0000 | |
| 176 | M | B | 0.0000 | |
| 177 | Q | B | 0.0000 | |
| 178 | A | B | 0.0000 | |
| 179 | W | B | 0.0000 | |
| 180 | I | B | 0.0000 | |
| 181 | V | B | 0.0000 | |
| 182 | T | B | 0.0000 | |
| 183 | C | B | -0.0066 | |
| 184 | K | B | -0.5418 | |
| 185 | C | B | 0.0000 | |
| 186 | M | B | -0.1555 | |
| 187 | T | B | -0.5920 | |
| 188 | A | B | -1.0585 | |
| 189 | P | B | -1.8265 | |
| 190 | D | B | -2.4068 | |
| 191 | Q | B | -1.6474 | |
| 192 | P | B | -0.7580 | |
| 193 | P | B | -0.1944 | |
| 194 | V | B | 1.0423 | |
| 195 | S | B | 0.0866 | |
| 196 | V | B | 0.1228 | |
| 197 | A | B | -0.0498 | |
| 198 | K | B | -0.9900 | |
| 199 | R | B | -0.8443 | |
| 200 | M | B | 0.0000 | |
| 201 | A | B | -1.3539 | |
| 202 | K | B | -1.9585 | |
| 203 | Y | B | 0.0000 | |
| 204 | Q | B | -1.9423 | |
| 205 | Q | B | -2.4676 | |
| 206 | Q | B | -2.4542 | |
| 207 | G | B | -1.9608 | |
| 208 | R | B | -1.8571 | |
| 209 | I | B | 0.0000 | |
| 210 | N | B | -0.8034 | |
| 211 | A | B | -0.1476 | |
| 212 | C | B | 0.5348 | |
| 213 | R | B | -0.2315 | |
| 214 | Y | B | 0.0000 | |
| 215 | V | B | 0.2920 | |
| 216 | L | B | 0.0000 | |
| 217 | Q | B | 0.0000 | |
| 218 | P | B | -0.7650 | |
| 219 | E | B | -1.2474 | |
| 220 | A | B | 0.0000 | |
| 221 | Q | B | -1.2227 | |
| 222 | R | B | -2.0798 | |
| 223 | L | B | -1.0770 | |
| 224 | I | B | 0.0000 | |
| 225 | Q | B | -1.3032 | |
| 226 | N | B | -1.5745 | |
| 227 | A | B | 0.0000 | |
| 228 | I | B | 0.0000 | |
| 229 | R | B | -1.4027 | |
| 230 | K | B | -2.3195 | |
| 231 | S | B | 0.0000 | |
| 232 | M | B | 0.0000 | |
| 233 | V | B | 0.0000 | |
| 234 | V | B | 0.0000 | |
| 235 | R | B | 0.0000 | |
| 236 | H | B | 0.0000 | |
| 237 | F | B | 0.0000 | |
| 238 | M | B | 0.0000 | |
| 239 | T | B | 0.0000 | |
| 240 | Y | B | 0.2579 | |
| 241 | E | B | 0.0000 | |
| 242 | L | B | 0.0000 | |
| 243 | Q | B | -0.2419 | |
| 244 | L | B | 0.1039 | |
| 245 | S | B | -0.4544 | |
| 246 | Q | B | -0.7004 | |
| 247 | S | B | -0.7276 | |
| 248 | R | B | -1.4182 | |
| 249 | S | B | -0.0141 | |
| 250 | L | B | 1.5978 | |
| 251 | L | B | 1.6389 | |
| 252 | A | B | 0.1688 | |
| 253 | N | B | -1.0359 | |
| 254 | R | B | -1.2332 | |
| 255 | Y | B | 0.0000 | |
| 256 | Y | B | -0.2867 | |
| 257 | A | B | -0.2684 | |
| 258 | M | B | 0.0000 | |
| 259 | V | B | 0.0000 | |
| 260 | G | B | -0.5996 | |
| 261 | D | B | -0.7901 | |
| 262 | I | B | 0.0000 | |
| 263 | G | B | 0.0000 | |
| 264 | K | B | -1.1088 | |
| 265 | Y | B | -0.5320 | |
| 266 | I | B | 0.0000 | |
| 267 | E | B | -0.7535 | |
| 268 | H | B | -0.7055 | |
| 269 | S | B | -0.6049 | |
| 270 | G | B | -0.4914 | |
| 271 | M | B | 0.0000 | |
| 272 | G | B | -0.1971 | |
| 273 | G | B | 0.0000 | |
| 274 | F | B | 0.0000 | |
| 275 | F | B | 0.1115 | |
| 276 | L | B | -0.1263 | |
| 277 | T | B | 0.0000 | |
| 278 | L | B | -0.4823 | |
| 279 | K | B | -1.5811 | |
| 280 | Y | B | 0.0000 | |
| 281 | G | B | 0.0000 | |
| 282 | L | B | -0.7140 | |
| 283 | G | B | -1.2649 | |
| 284 | T | B | -1.2440 | |
| 285 | R | B | -2.3558 | |
| 286 | W | B | -1.0140 | |
| 287 | P | B | -1.2270 | |
| 288 | T | B | 0.0000 | |
| 289 | L | B | 0.0000 | |
| 290 | A | B | 0.0000 | |
| 291 | L | B | 0.0000 | |
| 292 | A | B | 0.0000 | |
| 293 | A | B | 0.0000 | |
| 294 | F | B | 0.0000 | |
| 295 | S | B | 0.0000 | |
| 296 | G | B | -0.6276 | |
| 297 | E | B | 0.0000 | |
| 298 | L | B | -0.4399 | |
| 299 | Q | B | -0.9997 | |
| 300 | K | B | -1.0113 | |
| 301 | L | B | 0.0000 | |
| 302 | K | B | -1.4077 | |
| 303 | A | B | 0.0000 | |
| 304 | L | B | 0.0000 | |
| 305 | M | B | -0.0758 | |
| 306 | L | B | 0.1691 | |
| 307 | H | B | 0.0000 | |
| 308 | Y | B | -0.2242 | |
| 309 | Q | B | -0.7947 | |
| 310 | S | B | -0.4877 | |
| 311 | L | B | -0.5337 | |
| 312 | G | B | -0.5542 | |
| 313 | P | B | -0.5687 | |
| 314 | M | B | -0.2902 | |
| 315 | A | B | 0.0000 | |
| 316 | K | B | -0.7255 | |
| 317 | Y | B | 0.0000 | |
| 318 | M | B | 0.0000 | |
| 319 | A | B | -0.3061 | |
| 320 | L | B | 0.0000 | |
| 321 | L | B | 0.0000 | |
| 322 | E | B | -0.4306 | |
| 323 | S | B | 0.0000 | |
| 324 | P | B | -0.2603 | |
| 325 | K | B | -0.2688 | |
| 326 | L | B | 0.1438 | |
| 327 | M | B | -0.2403 | |
| 328 | D | B | -0.1937 | |
| 329 | F | B | 0.0000 | |
| 330 | V | B | -0.1442 | |
| 331 | P | B | 0.0000 | |
| 332 | S | B | -1.0337 | |
| 333 | E | B | -0.7159 | |
| 334 | Y | B | 0.0000 | |
| 335 | P | B | 0.0000 | |
| 336 | L | B | 0.0000 | |
| 337 | V | B | 0.0000 | |
| 338 | Y | B | 0.0000 | |
| 339 | S | B | 0.0000 | |
| 340 | Y | B | 0.0000 | |
| 341 | A | B | 0.0000 | |
| 342 | M | B | 0.0000 | |
| 343 | G | B | 0.0000 | |
| 344 | I | B | 0.0000 | |
| 345 | G | B | 0.0000 | |
| 346 | T | B | 0.0000 | |
| 347 | V | B | -0.1112 | |
| 348 | L | B | 0.1448 | |
| 349 | D | B | -0.0784 | |
| 350 | T | B | -0.7901 | |
| 351 | N | B | -1.4844 | |
| 352 | M | B | 0.0000 | |
| 353 | R | B | -2.6703 | |
| 354 | N | B | -2.8332 | |
| 355 | Y | B | -1.2022 | |
| 356 | A | B | -0.9184 | |
| 357 | Y | B | -0.8529 | |
| 358 | G | B | -0.8633 | |
| 359 | R | B | -1.4951 | |
| 360 | S | B | -1.4072 | |
| 361 | Y | B | 0.0000 | |
| 362 | L | B | 0.0000 | |
| 363 | N | B | 0.0000 | |
| 364 | P | B | -0.4423 | |
| 365 | Q | B | -1.3995 | |
| 366 | Y | B | 0.0000 | |
| 367 | F | B | 0.0000 | |
| 368 | Q | B | -0.8001 | |
| 369 | L | B | 0.0000 | |
| 370 | G | B | 0.0000 | |
| 371 | V | B | 0.0000 | |
| 372 | E | B | -1.4898 | |
| 373 | T | B | 0.0000 | |
| 374 | A | B | 0.0000 | |
| 375 | R | B | -3.0336 | |
| 376 | K | B | -3.1316 | |
| 377 | Q | B | -2.3475 | |
| 378 | Q | B | -2.1384 | |
| 379 | G | B | -1.5759 | |
| 380 | A | B | -1.3928 | |
| 381 | V | B | -1.6867 | |
| 382 | D | B | -3.4538 | |
| 383 | N | B | -3.7672 | |
| 384 | R | B | -3.9982 | |
| 385 | T | B | -2.8289 | |
| 386 | A | B | 0.0000 | |
| 387 | E | B | -3.6773 | |
| 388 | D | B | -2.9711 | |
| 389 | L | B | -0.7403 | |
| 390 | G | B | -1.3643 | |
| 391 | M | B | -1.2386 | |
| 392 | T | B | -0.7551 | |
| 393 | A | B | -0.5611 | |
| 394 | A | B | -0.8729 | |
| 395 | D | B | -1.5205 | |
| 396 | K | B | -1.4054 | |
| 397 | A | B | -0.9930 | |
| 398 | D | B | -1.8755 | |
| 399 | L | B | -0.6826 | |
| 400 | T | B | -0.6682 | |
| 401 | A | B | -0.7880 | |
| 402 | T | B | -0.2629 | |
| 403 | I | B | 0.1224 | |
| 404 | S | B | -0.6023 | |
| 405 | K | B | -0.5486 | |
| 406 | L | B | 1.0532 | |
| 407 | S | B | 0.3770 | |
| 408 | L | B | 1.4075 | |
| 409 | S | B | 0.5053 | |
| 410 | Q | B | -0.4185 | |
| 411 | L | B | 0.6160 | |
| 412 | P | B | -1.3504 | |
| 413 | R | B | -2.6060 | |
| 414 | G | B | -2.5197 | |
| 415 | R | B | -2.8080 | |
| 416 | Q | B | -2.0891 | |
| 417 | P | B | -0.8226 | |
| 418 | I | B | 0.5449 | |
| 419 | S | B | -0.2699 | |
| 420 | D | B | -0.8149 | |
| 421 | P | B | -0.0553 | |
| 422 | F | B | 0.8143 | |
| 423 | A | B | -0.3494 | |
| 424 | G | B | -1.2292 | |
| 425 | A | B | -1.2087 | |
| 426 | N | B | -2.8778 | |
| 427 | D | B | -3.9647 | |
| 428 | R | B | -4.1104 | |
| 429 | E | B | -3.6870 | |
| 430 | T | B | -2.0820 | |
| 431 | G | B | -1.6371 | |
| 432 | G | B | -1.4517 | |
| 433 | Q | B | -1.7046 | |
| 434 | A | B | -1.1726 | |
| 435 | T | B | -1.3241 | |
| 436 | D | B | -1.8393 | |
| 437 | T | B | -0.4122 | |
| 438 | P | B | -0.0123 | |
| 439 | V | B | 1.9260 | |
| 440 | Y | B | 1.8099 | |
| 441 | N | B | 0.3175 | |
| 442 | F | B | 1.4326 | |
| 443 | N | B | -0.4274 | |
| 444 | S | B | -0.3702 | |
| 445 | L | B | 0.2277 | |
| 446 | N | B | -1.9716 | |
| 447 | N | B | -2.7958 | |
| 448 | R | B | -3.4155 | |
| 449 | R | B | -3.2514 | |
| 450 | Y | B | -1.1010 | |
| 451 | D | B | -2.4308 | |
| 452 | N | B | -1.9739 | |
| 453 | Y | B | -0.3932 | |
| 454 | D | B | -2.1354 | |
| 455 | S | B | -1.9501 | |
| 456 | D | B | -3.0442 | |
| 457 | S | B | -2.8995 | |
| 458 | E | B | -3.5877 | |
| 459 | D | B | -3.4229 | |
| 460 | R | B | -2.7013 | |
| 461 | I | B | -0.5929 | |
| 462 | D | B | -1.8461 | |
| 463 | N | B | -2.3939 | |
| 464 | D | B | -2.9966 | |
| 465 | Q | B | -3.8060 | |
| 466 | D | B | -3.1860 | |
| 467 | Q | B | -2.1944 | |
| 468 | A | B | -0.9770 | |
| 469 | I | B | -0.1559 | |
| 470 | R | B | -2.4847 | |
| 471 | E | B | -3.2773 | |
| 472 | N | B | -3.5876 | |
| 473 | R | B | -3.8737 | |
| 474 | G | B | -2.8235 | |
| 475 | E | B | -2.7487 | |
| 476 | P | B | -1.6654 | |
| 477 | G | B | -1.5554 | |
| 478 | Q | B | -1.9156 | |
| 479 | P | B | -1.7936 | |
| 480 | N | B | -2.5559 | |
| 481 | N | B | -2.4941 | |
| 482 | Q | B | -2.1925 | |
| 483 | T | B | -1.3705 | |
| 484 | S | B | -1.6063 | |
| 485 | E | B | -2.9309 | |
| 486 | N | B | -3.2465 | |
| 487 | Q | B | -3.0727 | |
| 488 | Q | B | -2.8350 | |
| 489 | R | B | -2.4872 | |
| 490 | L | B | -0.1986 | |
| 491 | N | B | -0.6702 | |
| 492 | L | B | 0.7578 | |
| 493 | P | B | 0.6690 | |
| 494 | V | B | 1.5353 | |
| 495 | P | B | 0.1309 | |
| 496 | Q | B | -0.5060 | |
| 497 | C | B | -0.0458 | |
| 498 | T | B | -0.1835 | |
| 499 | S | B | -0.3634 | |
| 500 | G | B | -0.5833 | |
| 501 | M | B | -0.9064 | |
| 502 | S | B | -1.4265 | |
| 503 | S | B | -1.9000 | |
| 504 | E | B | -3.2911 | |
| 505 | E | B | -3.1562 | |
| 506 | F | B | -2.1689 | |
| 507 | Q | B | -2.8717 | |
| 508 | H | B | -2.8607 | |
| 509 | S | B | -1.6342 | |
| 510 | M | B | -1.2902 | |
| 511 | N | B | -1.9692 | |
| 512 | Q | B | -1.8803 | |
| 513 | Y | B | -0.4974 | |
| 514 | I | B | -0.7569 | |
| 515 | R | B | -2.5434 | |
| 516 | A | B | -1.3564 | |
| 517 | M | B | -0.8661 | |
| 518 | H | B | -1.8732 | |
| 519 | E | B | -2.8783 | |
| 520 | Q | B | -1.9616 | |
| 521 | Y | B | -0.8746 | |
| 522 | R | B | -2.7763 | |
| 523 | G | B | -2.8855 | |
| 524 | S | B | -2.7901 | |
| 525 | Q | B | -3.2809 | |
| 526 | D | B | -4.0292 | |
| 527 | D | B | -4.1405 | |
| 528 | D | B | -4.0613 | |
| 529 | A | B | -2.9150 | |
| 530 | N | B | -3.2928 | |
| 531 | D | B | -2.6889 | |
| 532 | A | B | -1.5043 | |
| 533 | T | B | -1.4051 | |
| 534 | D | B | -2.3206 | |
| 535 | G | B | -2.3733 | |
| 536 | N | B | -2.2989 | |
| 537 | D | B | -1.3486 | |
| 538 | I | B | 0.9017 | |
| 539 | S | B | 0.7673 | |
| 540 | L | B | 1.5450 | |
| 541 | E | B | 0.3526 | |
| 542 | L | B | 1.4872 | |
| 543 | V | B | 1.5561 | |
| 544 | G | B | 0.2153 | |
| 545 | D | B | -0.8468 | |
| 546 | F | B | 0.3509 | |
| 547 | D | B | -1.7488 | |
| 548 | S | B | -1.4217 | |
| 549 | H | B | -2.1466 | |
| 550 | H | B | -2.3992 | |
| 551 | H | B | -2.3302 | |
| 552 | H | B | -2.3046 | |
| 553 | H | B | -2.0660 | |
| 554 | H | B | -1.5960 |
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 | -0.5631 | 5.2609 | View | CSV | PDB |
| 4.5 | -0.6444 | 5.1148 | View | CSV | PDB |
| 5.0 | -0.7434 | 4.9576 | View | CSV | PDB |
| 5.5 | -0.8458 | 4.7964 | View | CSV | PDB |
| 6.0 | -0.9392 | 4.634 | View | CSV | PDB |
| 6.5 | -1.0164 | 4.4718 | View | CSV | PDB |
| 7.0 | -1.0769 | 4.3107 | View | CSV | PDB |
| 7.5 | -1.1252 | 4.154 | View | CSV | PDB |
| 8.0 | -1.1646 | 4.1145 | View | CSV | PDB |
| 8.5 | -1.194 | 4.1123 | View | CSV | PDB |
| 9.0 | -1.2093 | 4.1116 | 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