ソフトウェア | 名称 | バージョン | 分類 |
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PHENIX | (PHENIX.REFINE)精密化 | MOSFLM | | データ削減 | SCALA | | データスケーリング | PHASER | | 位相決定 | |
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精密化 | 構造決定の手法: 分子置換 開始モデル: PDB ENTRY 1XCK 解像度: 4.5→19.992 Å / σ(F): 0.93 / 位相誤差: 22.75 / 立体化学のターゲット値: TWIN_LSQ_F
| Rfactor | 反射数 | %反射 |
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Rfree | 0.2397 | 4012 | 2.4 % |
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Rwork | 0.1669 | - | - |
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obs | 0.1653 | 87551 | 96.44 % |
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溶媒の処理 | 減衰半径: 0.83 Å / VDWプローブ半径: 1.1 Å / 溶媒モデル: FLAT BULK SOLVENT MODEL / Bsol: 99 Å2 / ksol: 0.316 e/Å3 |
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原子変位パラメータ | | Baniso -1 | Baniso -2 | Baniso -3 |
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1- | -8.2812 Å2 | 0 Å2 | 0 Å2 |
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2- | - | -8.2812 Å2 | 0 Å2 |
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3- | - | - | 16.5623 Å2 |
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精密化ステップ | サイクル: LAST / 解像度: 4.5→19.992 Å
| タンパク質 | 核酸 | リガンド | 溶媒 | 全体 |
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原子数 | 53984 | 0 | 0 | 0 | 53984 |
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拘束条件 | Refine-ID | タイプ | Dev ideal | 数 |
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X-RAY DIFFRACTION | f_bond_d0.029 | 57208 | X-RAY DIFFRACTION | f_angle_d2.298 | 73416 | X-RAY DIFFRACTION | f_dihedral_angle_d15.014 | 20524 | X-RAY DIFFRACTION | f_chiral_restr0.111 | 8932 | X-RAY DIFFRACTION | f_plane_restr0.013 | 9618 | | | | | |
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LS精密化 シェル | 解像度 (Å) | Rfactor Rfree | Num. reflection Rfree | Rfactor Rwork | Num. reflection Rwork | Refine-ID | % reflection obs (%) |
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4.5021-4.5788 | 0.2802 | 192 | 0.2362 | 8259 | X-RAY DIFFRACTION | 95 | 4.5788-4.661 | 0.279 | 198 | 0.2308 | 8412 | X-RAY DIFFRACTION | 95 | 4.661-4.7495 | 0.2892 | 199 | 0.2198 | 8232 | X-RAY DIFFRACTION | 95 | 4.7495-4.8451 | 0.3098 | 191 | 0.2146 | 8298 | X-RAY DIFFRACTION | 95 | 4.8451-4.9489 | 0.2618 | 210 | 0.2144 | 8343 | X-RAY DIFFRACTION | 95 | 4.9489-5.0622 | 0.2494 | 197 | 0.2069 | 8527 | X-RAY DIFFRACTION | 95 | 5.0622-5.1866 | 0.2759 | 207 | 0.2145 | 8202 | X-RAY DIFFRACTION | 95 | 5.1866-5.3243 | 0.2875 | 197 | 0.2101 | 8345 | X-RAY DIFFRACTION | 95 | 5.3243-5.4779 | 0.3093 | 192 | 0.2077 | 8318 | X-RAY DIFFRACTION | 95 | 5.4779-5.6508 | 0.2887 | 186 | 0.2086 | 8331 | X-RAY DIFFRACTION | 95 | 5.6508-5.8479 | 0.2867 | 176 | 0.1981 | 8393 | X-RAY DIFFRACTION | 95 | 5.8479-6.0757 | 0.3191 | 180 | 0.1962 | 8298 | X-RAY DIFFRACTION | 95 | 6.0757-6.3438 | 0.2779 | 191 | 0.1905 | 8309 | X-RAY DIFFRACTION | 94 | 6.3438-6.6665 | 0.2635 | 199 | 0.1737 | 8260 | X-RAY DIFFRACTION | 94 | 6.6665-7.0668 | 0.208 | 198 | 0.1514 | 8299 | X-RAY DIFFRACTION | 94 | 7.0668-7.5846 | 0.171 | 207 | 0.1343 | 8210 | X-RAY DIFFRACTION | 94 | 7.5846-8.2979 | 0.1927 | 177 | 0.1121 | 8269 | X-RAY DIFFRACTION | 94 | 8.2979-9.3882 | 0.1392 | 221 | 0.0859 | 8195 | X-RAY DIFFRACTION | 93 | 9.3882-11.4462 | 0.1782 | 187 | 0.0906 | 8241 | X-RAY DIFFRACTION | 93 | 11.4462-19.9919 | 0.3505 | 195 | 0.1708 | 8025 | X-RAY DIFFRACTION | 92 |
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精密化 TLS | 手法: refined / Refine-ID: X-RAY DIFFRACTION ID | L11 (°2) | L12 (°2) | L13 (°2) | L22 (°2) | L23 (°2) | L33 (°2) | S11 (Å °) | S12 (Å °) | S13 (Å °) | S21 (Å °) | S22 (Å °) | S23 (Å °) | S31 (Å °) | S32 (Å °) | S33 (Å °) | T11 (Å2) | T12 (Å2) | T13 (Å2) | T22 (Å2) | T23 (Å2) | T33 (Å2) | Origin x (Å) | Origin y (Å) | Origin z (Å) |
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1 | 0.3455 | -0.1599 | -0.1202 | 0.0572 | 0.2847 | 0.8417 | -0.0152 | -0.0368 | -0.097 | -0.0616 | -0.1391 | 0.1391 | 0.272 | 0.0089 | 0.0594 | 0.9744 | -0.1431 | 0.0413 | 0.8018 | -0.0421 | 1.0112 | -17.432 | -33.1811 | -35.0454 | 2 | 0.7964 | -0.0696 | 0.3841 | 0.4181 | -0.3866 | 0.5052 | -0.4535 | -0.1636 | -0.5613 | -0.5233 | 0.1483 | -0.231 | -0.2343 | 0.0606 | 0.1439 | 1.2829 | -0.0441 | 0.3592 | 0.8308 | 0.0583 | 1.5941 | -21.9994 | -62.1402 | -22.2359 | 3 | 0.1955 | 0.2255 | -0.0266 | 0.6661 | -0.1958 | 0.1005 | 0.225 | 0.2104 | -0.0258 | 0.0188 | -0.0712 | -0.2592 | -0.2565 | -0.0482 | -0.0462 | 1.0572 | -0.0237 | 0.4134 | 0.7585 | -0.1167 | 1.3325 | -18.5045 | -63.0443 | -51.3527 | 4 | 0.0996 | 0.0767 | -0.1004 | 0.0143 | 0.0068 | 0.0081 | 0.307 | 0.0267 | -0.4174 | -0.1691 | 0.2593 | 0.0609 | 0.0875 | -0.041 | -0.0278 | 0.9921 | 0.1465 | 0.2349 | 0.8222 | -0.2485 | 1.1916 | -15.7202 | -69.7859 | -52.3384 | 5 | 0.434 | 0.313 | -0.1614 | 0.039 | 0.089 | 0.0062 | -0.1874 | -0.1601 | -0.5966 | 0.1794 | -0.3303 | 0.3358 | -0.0045 | 0.0748 | 0.3281 | 1.2144 | 0.061 | 0.0154 | 0.7505 | -0.1766 | 1.3979 | -12.7106 | -54.1237 | -28.1756 | 6 | 0.1401 | 0.0391 | 0.1258 | 0.6303 | 0.3213 | 0.2267 | -0.1825 | -0.136 | 0.0057 | 0.4876 | -0.1817 | 0.0261 | -0.3313 | 0.0058 | 0.1006 | 1.1247 | -0.1911 | 0.0901 | 0.6782 | 0.0068 | 0.4529 | -22.6027 | -38.5063 | -10.4247 | 7 | 0.0311 | -0.1247 | -0.0525 | 0.4661 | 0.2286 | 0.3703 | -0.0869 | 0.1637 | -0.3985 | 0.0979 | -0.0975 | 0.2921 | -0.1186 | -0.0093 | -0.0046 | 1.3475 | 0.0575 | -0.0598 | 0.793 | 0.153 | 1.3343 | -10.9359 | -35.942 | -35.4276 | 8 | 0.7635 | 0.0969 | 0.2106 | 0.0146 | 0.039 | 0.0872 | -0.4384 | 0.0767 | 0.4805 | 0.1111 | -0.0327 | 0.1523 | -0.3056 | -0.106 | 0.2841 | 0.6764 | -0.1149 | -0.0327 | 0.485 | 0.0502 | 1.3266 | -44.4137 | -27.0361 | -37.432 | 9 | 0.2113 | -0.2059 | -0.033 | 0.2794 | -0.0319 | 0.3594 | -0.0174 | 0.0228 | -0.0606 | 0.3236 | -0.5066 | -0.1197 | 0.4045 | -0.1027 | 0.2103 | 1.1251 | -0.1928 | 0.0368 | 0.706 | -0.1152 | 1.2381 | -56.263 | -34.2071 | -43.8393 | 10 | 0.7724 | 0.42 | -0.3296 | 1.1092 | -0.1393 | 0.1246 | -0.0237 | -0.1284 | -0.5392 | -0.6706 | -0.0416 | -0.9049 | -0.1535 | -0.1341 | 0.2109 | 1.2568 | 0.0097 | -0.0288 | 0.8404 | 0.1424 | 1.2728 | -49.8848 | -34.7589 | -22.5565 | 11 | 0.8886 | 0.0405 | 0.0496 | 0.014 | -0.0629 | 0.6232 | 0.1992 | 0.0931 | 0.2239 | 0.0321 | -0.0387 | -0.0285 | 0.3034 | -0.1286 | -0.0976 | 1.0465 | -0.1771 | -0.0462 | 0.9366 | -0.0522 | 1.0513 | -57.2871 | -63.4357 | -47.946 | 12 | 0.1811 | -0.1989 | -0.0522 | 0.4248 | 0.2641 | 0.0628 | -0.1474 | -0.0012 | 0.1272 | 0.0698 | 0.1312 | -0.2571 | 0.1102 | -0.0372 | 0.0504 | 0.9805 | -0.2318 | 0.0062 | 0.8593 | -0.0802 | 0.7843 | -63.2031 | -54.9084 | -32.0451 | 13 | 0.9803 | 0.2938 | 0.7731 | 2.537 | -0.5124 | 3.5038 | -0.0263 | -0.2822 | 0.1585 | -0.5075 | -0.5368 | -0.0363 | 0.2614 | 0.5128 | 0.207 | 1.2163 | -0.0882 | 0.0867 | 1.1353 | -0.1615 | 0.95 | -57.2589 | -29.6075 | -21.8995 | 14 | 0.7755 | -0.3534 | 0.0393 | 0.5488 | 0.4434 | 0.844 | -0.2133 | 0.0608 | -0.0712 | 0.031 | -0.1951 | 0.555 | 0.1173 | -0.1762 | 0.2291 | 0.7583 | -0.2657 | 0.1541 | 0.8928 | -0.1624 | 0.8905 | -61.447 | -34.7034 | -26.7801 | 15 | 3.3512 | -1.6024 | 1.6499 | 2.1563 | -0.8283 | 2.0616 | -0.4752 | 0.1838 | 0.5269 | 0.1609 | -0.2812 | -0.1825 | 0.1133 | -0.2696 | 0.4985 | 0.886 | -0.2851 | 0.0772 | 0.9796 | -0.1782 | 0.7356 | -63.5319 | -17.7009 | -53.0177 | 16 | 0.4505 | 0.0139 | -0.229 | 0.4575 | -0.0436 | 0.1416 | 0.2535 | 0.1757 | -0.3639 | -0.2785 | -0.1988 | 0.0987 | -0.0006 | -0.2732 | -0.0244 | 1.4741 | -0.1783 | -0.2375 | 1.1837 | -0.142 | 1.0347 | -70.2272 | -16.7398 | -73.0727 | 17 | 0.2 | 0.5378 | -0.1636 | 1.1361 | -0.236 | 0.6118 | -0.1365 | 0.3178 | -0.0197 | -0.0525 | -0.0318 | 0.2275 | 0.0778 | -0.6442 | 0.0771 | 0.6699 | -0.2121 | 0.0151 | 1.0655 | -0.3259 | 1.0909 | -82.9594 | -22.9312 | -58.5946 | 18 | 0.5293 | 0.2112 | 0.2505 | 0.1348 | 0.252 | 0.7704 | -0.4461 | 0.071 | 0.3234 | -0.1491 | -0.3065 | -0.2041 | -0.0583 | 0.1506 | 0.3423 | 1.4517 | -0.1798 | 0.008 | 1.4082 | 0.0997 | 1.7114 | -78.1379 | -44.8445 | -79.174 | 19 | 0.7409 | 0.034 | -0.6667 | 0.5192 | 0.3405 | 1.3679 | -0.5292 | 0.0877 | -0.0772 | -0.0665 | -0.3269 | -0.1446 | 0.5255 | 0.2006 | 0.6205 | 1.5048 | -0.2181 | 0.2863 | 1.6216 | 0.4742 | 1.722 | -65.84 | -48.3876 | -73.1993 | 20 | 0.9867 | 0.4092 | -0.5514 | 0.5026 | -0.0348 | 1.2122 | -0.0082 | -0.2291 | -0.1552 | 0.4334 | -0.3432 | -0.2838 | -0.1541 | 0.139 | 0.2926 | 1.6013 | -0.1171 | 0.2919 | 1.0425 | 0.1801 | 1.0135 | -75.3309 | -61.3501 | -70.9264 | 21 | 1.7764 | -0.6889 | -0.3614 | 1.2152 | -0.1996 | 1.2018 | 0.1358 | -0.1344 | 0.1925 | -0.3606 | -0.3434 | -0.2364 | 0.2363 | -0.363 | 0.0212 | 1.1791 | -0.2224 | 0.1027 | 0.8524 | -0.0287 | 0.7919 | -84.0797 | -54.6936 | -76.6858 | 22 | -0.2467 | 0.1688 | 0.2408 | 0.3421 | -0.1056 | 1.0571 | 0.0343 | -0.1657 | 0.3061 | 0.0095 | -0.1924 | 0.3137 | 0.0729 | -0.1632 | 0.1559 | 0.4985 | -0.0938 | 0.0424 | 0.6651 | -0.2891 | 0.7581 | -87.5983 | -24.0297 | -62.8025 | 23 | 0.022 | 0.1328 | -0.3296 | 0.3612 | -0.0855 | 0.238 | -0.0518 | -0.0591 | -0.1217 | -0.1898 | -0.1289 | 0.059 | -0.1283 | -0.3805 | 0.1234 | 0.8601 | -0.0166 | -0.0979 | 1.0403 | -0.2036 | 0.7796 | -65.2553 | -9.3453 | -98.9377 | 24 | 2.2882 | 0.3231 | -0.0768 | 0.8653 | -0.2408 | 0.1341 | 0.1684 | -0.664 | -0.5759 | -0.4133 | -0.2538 | -0.3347 | 0.068 | -0.0622 | -0.0054 | 1.5533 | -0.1625 | 0.189 | 1.5729 | 0.0325 | 1.4847 | -64.4669 | -39.2559 | -103.4548 | 25 | 0.1175 | 0.2591 | -0.4071 | 0.0424 | 0.1391 | 0.3958 | -0.159 | -0.0689 | -0.2586 | 0.0386 | -0.1419 | 0.2836 | -0.0866 | -0.2394 | 0.1041 | 0.2033 | 0.3939 | 0.1416 | -0.2353 | -1.2728 | -1.2166 | -73.5878 | -6.8516 | -103.6387 | 26 | 1.1968 | 0.5686 | -0.8717 | 0.0917 | -0.1564 | 0.6469 | -0.1318 | 0.0492 | -0.0804 | -0.148 | -0.0887 | -0.0181 | 0.1498 | -0.1612 | 0.1147 | 0.696 | 0.0686 | 0.1134 | 0.7335 | -0.0592 | 0.8694 | -29.7363 | -0.1064 | -108.0854 | 27 | 0.5887 | -0.0745 | 0.3942 | 0.5122 | -0.373 | 0.5671 | 0.3396 | 0.0621 | 0.0343 | -0.0145 | -0.0357 | -0.0137 | 0.1364 | 0.2134 | -0.0474 | 1.5562 | -0.1614 | 0.1205 | 1.3039 | -0.0625 | 1.4815 | -31.6139 | -28.9563 | -115.1601 | 28 | 0.335 | -0.0137 | 0.0929 | 0.1897 | 0.1946 | 0.3856 | -0.15 | 0.0252 | -0.3163 | -0.3466 | -0.0176 | -0.3075 | 0.0837 | -0.2474 | 0.0322 | 1.8069 | -0.0889 | -0.0184 | 1.3919 | -0.0787 | 1.7512 | -36.6392 | -29.7133 | -125.9262 | 29 | 0.5708 | -0.4962 | -0.1935 | 1.1828 | 0.3675 | 0.2943 | 0.1176 | -0.1087 | -0.2175 | -0.1876 | -0.1807 | 0.455 | -0.3197 | 0.0515 | -0.0039 | 1.3819 | -0.0521 | 0.187 | 1.1554 | -0.1052 | 1.3623 | -26.7856 | 3.8771 | -118.8208 | 30 | 0.8535 | -0.0963 | 0.1439 | 0.4525 | 0.2091 | 0.134 | 0.1255 | -0.0614 | 0.3357 | -0.2413 | 0.0882 | -0.067 | 0.332 | -0.3674 | -0.1702 | 1.0435 | 0.0002 | 0.1346 | 0.8572 | 0.0435 | 0.8507 | -38.8956 | 1.4494 | -105.8256 | 31 | 0.0671 | 0.0908 | 0.1273 | 0.2174 | -0.0137 | 0.016 | -0.0749 | 0.2467 | -0.317 | -0.323 | -0.0874 | -0.0883 | 0.4878 | -0.0497 | -0.0187 | 0.4805 | -0.286 | -0.1611 | -0.8536 | -0.9602 | 0.5386 | -4.6859 | -8.8176 | -82.9936 | 32 | 0.7595 | -0.2514 | -0.3429 | 1.0032 | -0.2263 | 0.7905 | 0.0251 | -0.1957 | 0.2195 | -0.2214 | -0.0469 | -0.058 | 0.2137 | 0.2731 | -0.0267 | 0.8012 | 0.0694 | 0.0423 | 0.9115 | -0.0979 | 0.7935 | 11.6762 | -9.0556 | -96.5569 | 33 | 0.4858 | 0.0333 | -0.1532 | 0.3959 | 0.2386 | 0.889 | -0.2991 | -0.1671 | 0.3186 | 0.4171 | 0.1008 | -0.1525 | -0.2638 | -0.4351 | 0.0036 | 0.3416 | -0.1491 | 1.4651 | 1.5104 | 0.1427 | -1.6596 | -3.7337 | -36.718 | -102.4047 | 34 | 0.1329 | 0.3375 | 0.0037 | 0.3317 | 0.072 | -0.0804 | -0.1867 | 0.1605 | 0.218 | 0.101 | 0.0628 | -0.064 | 0.4698 | 0.0675 | -0.0724 | 1.0276 | -0.058 | 0.339 | 0.7152 | -0.0777 | 0.0921 | 12.2345 | -20.979 | -104.7365 | 35 | 0.1981 | 0.1592 | 0.0548 | 0.4478 | 0.2476 | 0.4089 | 0.2062 | 0.1361 | -0.1688 | -0.1216 | -0.0302 | -0.4247 | 0.1597 | 0.0304 | -0.0812 | 0.7496 | -0.044 | 0.0461 | 0.727 | -0.0586 | 0.966 | 9.288 | 0.9192 | -89.6301 | 36 | 0.8671 | 0.0511 | 0.0177 | 0.2458 | -0.1635 | 0.8394 | 0.0487 | 0.0539 | -0.2679 | 0.2935 | -0.4052 | 0.0432 | 0.3215 | -0.1579 | 0.1768 | 0.9595 | -0.0658 | 0.012 | 0.6802 | -0.0501 | 0.7432 | -3.436 | -22.6183 | -55.312 | 37 | 0.2579 | 0.1154 | -0.109 | 0.0895 | -0.0845 | 0.3213 | -0.0306 | -0.2438 | -0.2584 | 0.0384 | -0.0545 | -0.1136 | -0.1146 | -0.1967 | 0.0491 | 0.4844 | 0.1262 | -0.103 | 0.2603 | -0.0101 | 0.6301 | 12.6972 | -35.0242 | -57.8955 | 38 | 0.9066 | 0.2965 | -0.1707 | 0.4229 | 0.2744 | 0.5239 | -0.01 | 0.0659 | -0.0379 | 0.2356 | 0.1469 | -0.3733 | 0.2787 | 0.0477 | -0.0348 | 0.6974 | 0.0403 | 0.0814 | 0.5771 | -0.0279 | 0.7219 | 5.4357 | -53.6988 | -77.6014 | 39 | 0.6937 | -0.7984 | -0.2622 | 0.8928 | 0.1963 | 0.7928 | -0.2899 | 0.0211 | -0.2214 | 0.2194 | 0.0629 | 0.2563 | 0.2459 | 0.0624 | 0.1811 | 0.8869 | 0.1206 | -0.001 | 0.8691 | -0.0258 | 0.9093 | 19.752 | -40.2652 | -59.1421 | 40 | 0.7554 | -0.1197 | 0.096 | 0.0527 | 0.2447 | 1.1642 | 0.3767 | -0.0382 | -0.2521 | -0.1176 | -0.3938 | -0.2486 | 0.3136 | -0.1197 | -0.0524 | 0.6979 | 0.0401 | -0.1609 | 0.3942 | 0.0935 | 0.7996 | 14.9692 | -19.7137 | -50.2954 | 41 | 0.5982 | 0.0701 | -0.2977 | 0.4632 | -0.3355 | 0.1928 | 0.0374 | 0.0734 | -0.1434 | 0.3315 | 0.1404 | -0.1087 | -0.0613 | -0.105 | -0.091 | 0.768 | -0.0076 | 0.0094 | 0.5503 | -0.0489 | 0.351 | -33.5624 | -2.5331 | -14.2589 | 42 | 0.7009 | 0.0697 | 0.5772 | 0.5244 | -0.1293 | 0.9119 | 0.138 | -0.018 | 1.1875 | -0.5858 | 0.3918 | 0.3941 | 0.297 | 0.0627 | -0.0883 | 0.4162 | -0.123 | -0.1432 | 0.9268 | -0.1243 | -0.2513 | -29.7342 | 24.4391 | 4.2511 | 43 | 0.9626 | 0.5868 | -0.0887 | 0.3674 | 0.1326 | 0.4646 | -0.3723 | -0.5518 | -0.346 | -0.5054 | 0.24 | -0.1161 | -0.1326 | 0.0398 | 0.0636 | 0.6645 | 0.0221 | -0.0043 | 0.6263 | 0.0397 | 0.3601 | -28.0005 | -1.0122 | 5.5267 | 44 | 0.3305 | 0.0539 | 0.1292 | 0.1194 | 0.1042 | 1.1037 | 0.1296 | -0.3376 | 0.2994 | 0.5818 | -0.2531 | 0.0862 | 0.3847 | 0.6072 | 0.1029 | 1.2627 | 0.0072 | -0.037 | 1.0695 | 0.0326 | 0.6503 | -39.0021 | -1.7702 | -9.9008 | 45 | 0.2935 | 0.3411 | 0.3023 | 0.5231 | 0.4709 | 0.9006 | 0.0931 | -0.0383 | 0.0102 | -0.1522 | -0.0855 | -0.3098 | 0.0279 | 0.0258 | -0.0048 | 0.6344 | 0.0114 | -0.018 | 0.4946 | 0.049 | 0.6881 | 3.1725 | 9.6723 | -25.1114 | 46 | 0.2549 | -0.166 | -0.1009 | 0.4736 | 0.0023 | 0.179 | -0.1678 | -0.2663 | -0.0172 | -0.1395 | 0.0615 | 0.2189 | -0.1264 | 0.1589 | -0.018 | 0.9945 | -0.0185 | -0.2149 | 1.0526 | -0.1017 | 1.1695 | 3.1806 | 27.7029 | -12.1522 | 47 | 0.0052 | 0.0583 | -0.0234 | 0.4298 | 0.2551 | 0.2832 | 0.1563 | 0.0168 | -0.0216 | 0.1296 | -0.098 | -0.4231 | 0.1169 | 0.0226 | -0.0132 | 0.7516 | -0.0759 | -0.2506 | 0.6171 | -0.0497 | 0.8596 | 9.3648 | 1.7926 | -25.84 | 48 | 0.5921 | -0.1756 | -0.2268 | 0.0909 | -0.1845 | 0.5001 | 0.1502 | 0.0349 | 0.5642 | 0.0756 | -0.2013 | -0.0255 | -0.0953 | 0.0471 | -0.0051 | 0.5247 | -0.0404 | -0.019 | 0.3416 | 0.0098 | 0.6246 | -1.4174 | 22.9415 | -58.6246 | 49 | 2.2861 | 0.9277 | -0.3828 | 0.6272 | -0.2266 | 0.6294 | -0.1705 | -0.6926 | -0.8044 | 0.3859 | -0.3416 | -0.4332 | -0.1207 | 0.0779 | 0.2557 | 0.8857 | 0.0077 | -0.0716 | 0.9626 | 0.0786 | 1.2614 | 16.0598 | 14.845 | -55.8578 | 50 | 1.0453 | 0.2752 | 0.4622 | 1.0313 | -0.196 | 0.4265 | 0.1364 | -0.3611 | 0.3414 | -0.363 | -0.0461 | -0.0638 | 0.1522 | -0.0833 | 0.0277 | 0.8607 | -0.2167 | 0.0381 | 0.7268 | -0.0741 | 0.9302 | 6.2131 | 50.4205 | -46.2034 | 51 | 0.1725 | -0.2471 | 0.2291 | 0.6092 | -0.4173 | 0.3946 | -0.4944 | -0.0986 | 0.1345 | 0.224 | 0.0216 | -0.5123 | 0.2416 | -0.0385 | 0.2511 | 1.2169 | -0.189 | 0.134 | 0.9318 | -0.1051 | 1.4292 | 17.5411 | 53.9296 | -43.9796 | 52 | 0.0502 | -0.0972 | 0.0796 | 1.0328 | -0.2794 | 0.0203 | 0.0509 | -0.3747 | -0.218 | -0.1478 | 0.2865 | -0.0903 | 0.1235 | -0.0127 | -0.1673 | 0.947 | -0.0325 | -0.1535 | 0.8582 | -0.0028 | 1.0769 | 17.2314 | 33.4047 | -63.8421 | 53 | 1.1062 | 0.0789 | -0.2831 | 0.814 | 0.3491 | 0.3715 | -0.2467 | -0.0192 | -0.195 | -0.2763 | 0.0609 | -0.4651 | -0.2753 | 0.1765 | 0.1004 | 0.8259 | -0.0619 | -0.0531 | 0.5789 | 0.0102 | 0.7267 | 15.3056 | 20.1851 | -65.2753 | 54 | 0.3327 | -0.113 | 0.0331 | 0.1087 | -0.0352 | 0.167 | -0.1025 | 0.0557 | 0.3264 | -0.4025 | -0.0648 | 0.3347 | -0.4061 | -0.0003 | 0.0803 | 0.6618 | -0.0128 | -0.0974 | 0.3641 | -0.0979 | 0.634 | -24.9149 | 31.0665 | -77.6192 | 55 | 0.3046 | -0.2636 | -0.2143 | 0.2261 | -0.0513 | 0.4727 | -0.0446 | 0.1508 | -0.029 | -0.1097 | 0.3273 | -0.3433 | -0.2208 | -0.0496 | -0.1547 | 0.9356 | -0.134 | 0.0179 | 0.4506 | -0.0769 | 0.6134 | -14.281 | 32.387 | -81.5142 | 56 | 0.1965 | -0.0832 | -0.2157 | 1.0831 | 0.2584 | -0.0903 | 0.3406 | 0.1746 | 0.3701 | -0.7196 | -0.9658 | -0.0662 | 0.3019 | 0.1561 | 0.1076 | -0.1673 | -1.0423 | -0.0932 | -1.227 | 0.0086 | 1.0193 | -18.1494 | 60.6525 | -72.3943 | 57 | 0.0764 | -0.0052 | 0.2214 | 0.0692 | -0.0157 | 0.4054 | -0.081 | 0.5892 | 0.8086 | -0.0388 | 0.2004 | -0.2048 | 0.5085 | 0.4047 | 0.034 | 0.4047 | -0.3812 | -0.0373 | 0.3622 | 0.363 | 0.9549 | -13.5345 | 60.1641 | -85.616 | 58 | 1.3418 | -0.6971 | 0.1968 | 0.4367 | 0.0412 | 0.7374 | 0.0604 | 0.2451 | 0.3058 | -0.1208 | -0.3591 | -0.4255 | -0.2355 | 0.0411 | 0.2091 | 1.3094 | 0.0665 | -0.0218 | 0.8696 | 0.1077 | 1.1329 | -18.551 | 34.6259 | -101.354 | 59 | 0.2273 | -0.3219 | -0.108 | 1.0206 | 0.2348 | 0.1044 | 0.3967 | -0.0212 | 0.1147 | -0.6342 | -0.2981 | 0.0321 | -0.2503 | -0.1205 | -0.0175 | 0.4286 | 0.0202 | 0.0661 | 0.4117 | 0.1793 | -0.1483 | -11.0687 | 35.4168 | -80.7838 | 60 | 0.8076 | -0.3359 | -0.0365 | 0.2442 | 0.1028 | 0.7793 | -0.1011 | 0.1794 | 0.2174 | -0.0118 | -0.257 | 0.2134 | -0.2336 | -0.1385 | 0.2217 | 0.436 | 0.0617 | -0.1132 | 0.5783 | -0.1347 | 0.578 | -52.531 | 31.7118 | -74.1113 | 61 | 1.0137 | -0.4812 | -0.9415 | 0.8764 | 0.4162 | 0.895 | 0.2026 | 0.4894 | 0.0696 | -0.1741 | -0.3196 | -0.3086 | 0.1935 | -0.2149 | 0.0302 | 0.9181 | 0.1513 | -0.2529 | 1.012 | -0.1837 | 1.1847 | -50.4548 | 34.4774 | -93.2421 | 62 | 0.266 | -0.0087 | -0.1576 | 0.6126 | -0.2366 | 0.2802 | 0.1284 | 0.1256 | -0.121 | 0.2934 | -0.3111 | -0.4748 | -0.2035 | -0.1943 | 0.0548 | 1.305 | 0.337 | -0.2988 | 1.0288 | -0.1871 | 1.6494 | -67.9582 | 56.8504 | -74.5285 | 63 | 2.5607 | -0.3076 | 0.0894 | 1.4308 | -0.7249 | 1.5098 | -0.0699 | -0.2412 | 0.0827 | 0.1034 | -0.4603 | -0.2641 | -0.0416 | 0.136 | 0.2096 | 1.3423 | 0.2463 | -0.3368 | 1.2135 | -0.0766 | 1.2984 | -46.0846 | 66.2646 | -56.6001 | 64 | 1.0677 | 0.2183 | -1.3779 | 0.7075 | -0.3521 | 1.9959 | 0.1209 | -0.25 | 0.5556 | -0.094 | 0.3724 | 0.2946 | -0.1016 | 0.0249 | -0.4263 | 1.3732 | 0.051 | -0.0222 | 1.2297 | 0.2302 | 1.7707 | -45.72 | 58.8879 | -61.5097 | 65 | 1.5688 | -0.9126 | 0.2176 | 0.8348 | -0.5665 | 0.615 | 0.1275 | -0.141 | 0.7257 | 0.238 | -0.1984 | -0.5823 | -0.2635 | 0.006 | 0.006 | 1.8059 | 0.1689 | 0.1197 | 1.1461 | -0.099 | 1.4275 | -45.1472 | 73.7656 | -66.9796 | 66 | 0.1103 | 0.3224 | -0.181 | 0.8795 | -0.4562 | 0.207 | 0.4493 | 0.0135 | -0.1923 | 0.3721 | -0.2226 | 0.318 | 0.0019 | -0.2189 | -0.1903 | 1.3277 | 0.4351 | -0.4664 | 0.7088 | -0.2158 | 1.2251 | -57.3438 | 71.3855 | -69.7275 | 67 | 2.4003 | 1.5929 | -1.1946 | 1.8888 | -1.0567 | 1.2809 | 0.5079 | 0.4661 | -0.6345 | 0.1801 | 0.0496 | -0.2696 | 0.1395 | -0.0187 | -0.1846 | 1.3618 | 0.4862 | -0.2555 | 1.2769 | -0.5244 | 1.5831 | -58.3664 | 70.0026 | -80.9374 | 68 | 0.2736 | 0.0156 | 0.2323 | 1.0759 | 0.2595 | 0.3002 | -0.1635 | 0.227 | 0.2276 | -0.0287 | 0.0186 | 0.3726 | -0.2478 | -0.0189 | 0.2087 | 1.1618 | 0.2318 | -0.0849 | 1.1059 | -0.1607 | 1.0939 | -65.8809 | 44.8963 | -85.6419 | 69 | 0.3057 | -0.0359 | 0.131 | 0.3482 | -0.1309 | 0.4009 | 0.1266 | 0.0232 | -0.1853 | 0.0501 | -0.0875 | -0.4404 | -0.4541 | -0.225 | 0.0635 | 0.751 | 0.1861 | -0.2137 | 0.786 | -0.1297 | 0.8439 | -60.7709 | 33.3321 | -90.2251 | 70 | 0.0868 | -0.1967 | -0.2783 | 0.606 | 0.1941 | 0.3678 | 0.1413 | 0.0212 | 0.1611 | -0.142 | -0.0837 | 0.0863 | -0.2971 | 0.018 | 0.0005 | 0.9235 | 0.0065 | -0.1165 | 0.9232 | -0.2003 | 1.0607 | -78.2282 | 23.2846 | -51.7875 | 71 | 0.756 | 0.0761 | -0.565 | 0.0477 | 0.0668 | 1.6246 | 0.5585 | -0.119 | -0.3899 | 0.4211 | -0.2827 | -0.2116 | -1.1741 | 0.0106 | -0.0187 | 1.6712 | 0.0433 | -0.3148 | 1.2637 | -0.1096 | 1.5396 | -71.1603 | 50.8986 | -38.7338 | 72 | -0.1907 | -0.0896 | 0.086 | 0.7778 | 0.0429 | 0.33 | -0.8207 | 0.2543 | 0.5522 | -0.0405 | 0.2853 | 0.1459 | 0.1816 | -0.2614 | 0.1112 | 0.45 | 0.3814 | -0.3242 | 0.7076 | -0.4286 | 1.0809 | -87.3772 | 28.3872 | -51.7712 | 73 | 0.4937 | -0.3916 | 0.2018 | 0.7036 | -0.1982 | 0.2919 | 0.2303 | -0.095 | 0.2218 | -0.0924 | 0.0013 | -0.0518 | 0.3148 | 0.0122 | -0.0571 | 0.8996 | -0.0031 | -0.0802 | 0.8626 | -0.2311 | 0.9296 | -58.5772 | 6.5198 | -26.607 | 74 | 0.961 | -0.3245 | 0.0456 | 0.1929 | 0.2753 | 0.8845 | -0.3817 | -0.1198 | -0.1257 | -0.1302 | 0.2283 | -0.0059 | -0.3946 | 0.0729 | 0.0858 | 1.2766 | 0.1167 | -0.1392 | 1.1722 | -0.1316 | 1.1741 | -69.0382 | 24.9495 | -8.2628 | 75 | 0.7675 | -0.1122 | 0.2499 | 0.5215 | 0.0093 | 0.4617 | 0.2396 | -0.1838 | 0.2561 | 0.1345 | -0.082 | 0.0191 | 0.0188 | -0.3019 | 0.0026 | 0.78 | -0.0418 | 0.1053 | 0.8722 | -0.1908 | 0.7486 | -73.6437 | -4.1673 | -19.4453 |
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精密化 TLSグループ | ID | Refine-ID | Refine TLS-ID | Selection details |
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1 | X-RAY DIFFRACTION | 1 | CHAIN A AND (RESSEQ 2:133)2 | X-RAY DIFFRACTION | 2 | CHAIN A AND (RESSEQ 134:179)3 | X-RAY DIFFRACTION | 3 | CHAIN A AND (RESSEQ 180:296)4 | X-RAY DIFFRACTION | 4 | CHAIN A AND (RESSEQ 297:338)5 | X-RAY DIFFRACTION | 5 | CHAIN A AND (RESSEQ 339:458)6 | X-RAY DIFFRACTION | 6 | CHAIN A AND (RESSEQ 459:493)7 | X-RAY DIFFRACTION | 7 | CHAIN A AND (RESSEQ 494:525)8 | X-RAY DIFFRACTION | 8 | CHAIN B AND (RESSEQ 2:30)9 | X-RAY DIFFRACTION | 9 | CHAIN B AND (RESSEQ 31:88)10 | X-RAY DIFFRACTION | 10 | CHAIN B AND (RESSEQ 89:133)11 | X-RAY DIFFRACTION | 11 | CHAIN B AND (RESSEQ 134:352)12 | X-RAY DIFFRACTION | 12 | CHAIN B AND (RESSEQ 353:433)13 | X-RAY DIFFRACTION | 13 | CHAIN B AND (RESSEQ 434:458)14 | X-RAY DIFFRACTION | 14 | CHAIN B AND (RESSEQ 459:525)15 | X-RAY DIFFRACTION | 15 | CHAIN C AND (RESSEQ 2:27)16 | X-RAY DIFFRACTION | 16 | CHAIN C AND (RESSEQ 28:64)17 | X-RAY DIFFRACTION | 17 | CHAIN C AND (RESSEQ 65:156)18 | X-RAY DIFFRACTION | 18 | CHAIN C AND ( | | | | | | | | | | | | | | | | | |
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