ソフトウェア | 名称 | バージョン | 分類 | NB |
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DENZO | | データ削減 | | SCALEPACK | | データスケーリング | | MOLREP | | 位相決定 | | REFMAC | refmac_5.2.0005精密化 | | PDB_EXTRACT | 2 | データ抽出 | | CBASS | | データ収集 | | HKL-2000 | | データ削減 | | |
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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 2Q5W 解像度: 2.5→30 Å / Cor.coef. Fo:Fc: 0.951 / Cor.coef. Fo:Fc free: 0.924 / WRfactor Rfree: 0.261 / WRfactor Rwork: 0.209 / SU B: 16.779 / SU ML: 0.17 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.522 / ESU R Free: 0.291 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD / 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
| Rfactor | 反射数 | %反射 | Selection details |
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Rfree | 0.254 | 1900 | 5 % | RANDOM |
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Rwork | 0.207 | - | - | - |
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obs | 0.209 | 37933 | 96.77 % | - |
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溶媒の処理 | イオンプローブ半径: 0.8 Å / 減衰半径: 0.8 Å / VDWプローブ半径: 1.2 Å / 溶媒モデル: BABINET MODEL WITH MASK |
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原子変位パラメータ | Biso mean: 57.947 Å2
| Baniso -1 | Baniso -2 | Baniso -3 |
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1- | 3.92 Å2 | 0 Å2 | 0 Å2 |
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2- | - | 0.48 Å2 | 0 Å2 |
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3- | - | - | -4.4 Å2 |
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Refine analyze | | Free | Obs |
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Luzzati coordinate error | 0.291 Å | 0.522 Å |
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精密化ステップ | サイクル: LAST / 解像度: 2.5→30 Å
| タンパク質 | 核酸 | リガンド | 溶媒 | 全体 |
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原子数 | 6997 | 0 | 92 | 78 | 7167 |
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拘束条件 | Refine-ID | タイプ | Dev ideal | Dev ideal target | 数 |
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X-RAY DIFFRACTION | r_bond_refined_d0.008 | 0.022 | 7246 | X-RAY DIFFRACTION | r_bond_other_d0.001 | 0.02 | 6517 | X-RAY DIFFRACTION | r_angle_refined_deg1.077 | 1.965 | 9839 | X-RAY DIFFRACTION | r_angle_other_deg0.708 | 3 | 15247 | X-RAY DIFFRACTION | r_dihedral_angle_1_deg6.446 | 5 | 839 | X-RAY DIFFRACTION | r_dihedral_angle_2_deg35.903 | 25.432 | 359 | X-RAY DIFFRACTION | r_dihedral_angle_3_deg14.448 | 15 | 1297 | X-RAY DIFFRACTION | r_dihedral_angle_4_deg12.962 | 15 | 28 | X-RAY DIFFRACTION | r_chiral_restr0.065 | 0.2 | 1073 | X-RAY DIFFRACTION | r_gen_planes_refined0.003 | 0.02 | 7873 | X-RAY DIFFRACTION | r_gen_planes_other0.001 | 0.02 | 1395 | X-RAY DIFFRACTION | r_nbd_refined0.185 | 0.2 | 1263 | X-RAY DIFFRACTION | r_nbd_other0.165 | 0.2 | 6490 | X-RAY DIFFRACTION | r_nbtor_refined0.175 | 0.2 | 3434 | X-RAY DIFFRACTION | r_nbtor_other0.078 | 0.2 | 4219 | X-RAY DIFFRACTION | r_xyhbond_nbd_refined0.141 | 0.2 | 151 | X-RAY DIFFRACTION | r_symmetry_vdw_refined0.141 | 0.2 | 17 | X-RAY DIFFRACTION | r_symmetry_vdw_other0.163 | 0.2 | 41 | X-RAY DIFFRACTION | r_symmetry_hbond_refined0.04 | 0.2 | 3 | X-RAY DIFFRACTION | r_mcbond_it0.27 | 1.5 | 5573 | X-RAY DIFFRACTION | r_mcbond_other0.048 | 1.5 | 1714 | X-RAY DIFFRACTION | r_mcangle_it0.334 | 2 | 6918 | X-RAY DIFFRACTION | r_scbond_it0.6 | 3 | 3609 | X-RAY DIFFRACTION | r_scangle_it0.961 | 4.5 | 2921 | | | | | | | | | | | | | | | | | | | | | | | | |
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LS精密化 シェル | Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20 解像度 (Å) | Rfactor Rfree | Num. reflection Rfree | Rfactor Rwork | Num. reflection Rwork | Num. reflection all | % reflection obs (%) |
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2.5-2.564 | 0.411 | 124 | 0.338 | 2184 | 2827 | 81.641 | 2.564-2.633 | 0.359 | 128 | 0.299 | 2301 | 2777 | 87.468 | 2.633-2.709 | 0.33 | 125 | 0.296 | 2321 | 2688 | 90.997 | 2.709-2.792 | 0.353 | 130 | 0.292 | 2369 | 2593 | 96.375 | 2.792-2.882 | 0.433 | 102 | 0.272 | 2397 | 2545 | 98.193 | 2.882-2.983 | 0.305 | 118 | 0.261 | 2328 | 2452 | 99.755 | 2.983-3.094 | 0.283 | 114 | 0.241 | 2250 | 2364 | 100 | 3.094-3.219 | 0.3 | 101 | 0.222 | 2187 | 2289 | 99.956 | 3.219-3.36 | 0.268 | 120 | 0.221 | 2079 | 2199 | 100 | 3.36-3.522 | 0.233 | 96 | 0.215 | 2040 | 2136 | 100 | 3.522-3.71 | 0.24 | 102 | 0.208 | 1886 | 1988 | 100 | 3.71-3.931 | 0.275 | 104 | 0.211 | 1807 | 1911 | 100 | 3.931-4.197 | 0.224 | 95 | 0.183 | 1721 | 1816 | 100 | 4.197-4.526 | 0.187 | 96 | 0.159 | 1602 | 1698 | 100 | 4.526-4.947 | 0.205 | 80 | 0.145 | 1491 | 1571 | 100 | 4.947-5.512 | 0.222 | 68 | 0.153 | 1356 | 1427 | 99.79 | 5.512-6.329 | 0.236 | 71 | 0.182 | 1237 | 1308 | 100 | 6.329-7.667 | 0.235 | 54 | 0.171 | 1045 | 1099 | 100 | 7.667-10.505 | 0.216 | 42 | 0.195 | 860 | 902 | 100 | 10.505-30 | 0.29 | 30 | 0.278 | 572 | 608 | 99.013 |
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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 | 17.2422 | 0.2884 | 1.7339 | 2.3804 | -2.3508 | 2.5585 | 0.0649 | 1.2779 | -0.1324 | -0.764 | -0.0792 | -0.0973 | 0.46 | 0.3285 | 0.0143 | 0.1219 | 0.1726 | -0.0216 | -0.225 | -0.044 | -0.1047 | 20.55 | 33.801 | 12.941 | 2 | 1.0527 | 0.0384 | -0.6884 | 3.4559 | -0.9993 | 0.9979 | -0.6697 | 0.0519 | -0.1244 | -0.6225 | 0.2901 | 0.0689 | -0.055 | 0.0769 | 0.3797 | -0.0446 | 0.1112 | -0.0189 | -0.3427 | 0.0442 | -0.1623 | 13.19 | 40.71 | 17.314 | 3 | 13.1707 | -3.8796 | -1.0142 | 21.9022 | -1.8358 | 2.6473 | 0.0398 | -0.4707 | 1.3875 | 0.7525 | -0.316 | -0.3388 | -0.088 | 0.6447 | 0.2762 | 0.1362 | 0.0551 | -0.1063 | -0.0489 | 0.058 | 0.1377 | 38.284 | 48.535 | 24.441 | 4 | 11.2853 | -0.2118 | -0.8054 | 4.7635 | -2.3223 | 7.6793 | -0.0019 | 0.2704 | -0.8851 | -0.2148 | 0.0006 | -0.1484 | 0.6415 | 0.0385 | 0.0014 | -0.0608 | 0.2317 | -0.0485 | -0.245 | -0.0311 | -0.0596 | 28.948 | 26.636 | 24.947 | 5 | 30.9602 | -14.3477 | -3.6271 | 10.8762 | 6.0006 | 4.8391 | 0.1516 | -0.2295 | -0.8269 | 0.1488 | -0.0145 | 0.7155 | 0.3648 | -0.4644 | -0.1372 | 0.0148 | 0.1514 | -0.0022 | -0.2672 | 0.0858 | -0.0356 | 13.837 | 29.323 | 27.67 | 6 | 3.5695 | -0.5421 | 2.0964 | 1.4835 | -0.0939 | 1.2923 | 0.3463 | -0.3494 | -0.4706 | 0.0814 | -0.1064 | -0.0632 | -0.122 | 0.1608 | -0.2399 | -0.0585 | 0.1642 | 0.035 | -0.2245 | 0.0106 | -0.1578 | 19.762 | 34.686 | 21.618 | 7 | 7.1924 | 1.5958 | -0.0127 | 2.5997 | -0.6625 | 2.583 | 0.0491 | -0.3008 | 0.3478 | -0.0134 | -0.0013 | 0.2015 | -0.2326 | -0.1042 | -0.0478 | -0.0266 | 0.139 | -0.0598 | -0.2803 | 0.0089 | -0.1425 | 16.013 | 41.657 | 22.466 | 8 | 12.1081 | 0.7461 | 2.4642 | 3.0741 | -0.7318 | 0.7594 | -0.2093 | -0.0892 | 0.4454 | 0.0241 | 0.164 | -0.072 | -0.4546 | 0.3392 | 0.0453 | -0.0034 | 0.2349 | -0.0723 | -0.135 | 0.067 | -0.0565 | 27.312 | 34.658 | 29.961 | 9 | 21.5802 | 11.1721 | -11.8088 | 21.6954 | -15.3477 | 16.6375 | 0.9618 | -1.2115 | 1.3269 | 1.2056 | -0.8071 | -0.6422 | -1.8022 | 0.5814 | -0.1547 | 0.0707 | 0.0344 | -0.0782 | 0.171 | -0.021 | 0.1037 | 41.476 | 41.795 | 29.723 | 10 | 17.0605 | 2.6424 | 0.3899 | 22.9478 | -2.385 | 6.6669 | 0.051 | 0.2017 | -0.3471 | 0.0493 | -0.2684 | -0.1401 | 0.1809 | 0.0983 | 0.2174 | -0.1608 | 0.1811 | 0.1155 | -0.0347 | 0.1033 | -0.2726 | 39.008 | 21.743 | 30.975 | 11 | 7.6361 | 3.4859 | 2.1488 | 13.9137 | 2.3962 | 5.4255 | -0.025 | 0.3374 | -0.5531 | -0.1236 | -0.3696 | -1.1258 | 0.4095 | 1.4168 | 0.3947 | -0.2246 | 0.3386 | 0.1417 | 0.1453 | 0.0946 | -0.0568 | 44.018 | 20.064 | 31.412 | 12 | 15.4296 | 0.0742 | -4.7437 | 10.0546 | 7.1048 | 9.0075 | -0.1457 | 0.4923 | -0.4531 | -0.1363 | 0.0927 | -0.0877 | 1.5845 | 0.927 | 0.053 | -0.0679 | 0.3189 | 0.0879 | -0.0668 | 0.1334 | -0.1566 | 35.511 | 11.33 | 42.803 | 13 | 11.6218 | 8.8022 | -5.2553 | 31.1802 | 3.9415 | 6.8941 | 0.6341 | 0.5472 | 0.2522 | -0.3446 | -0.4543 | 1.0136 | 0.2356 | 0.0834 | -0.1798 | -0.1268 | 0.3309 | 0.1095 | 0.1062 | 0.1856 | -0.0338 | 41.001 | 18.802 | 43.333 | 14 | 11.1111 | -3.6877 | 7.6201 | 5.6152 | -9.2513 | 19.4587 | -0.2261 | -0.8386 | -1.0163 | 0.3761 | -0.5055 | 1.0826 | -0.1271 | 1.3072 | 0.7316 | -0.3552 | 0.1477 | 0.0623 | 0.3217 | 0.0707 | 0.1304 | 46.832 | 21.775 | 41.212 | 15 | 14.7897 | 14.7001 | 4.4536 | 25.5743 | 3.3799 | 10.9628 | -0.036 | -0.8475 | 1.0888 | 0.3955 | -0.8087 | 0.8815 | -0.5265 | 0.13 | 0.8448 | -0.1391 | 0.2585 | 0.0814 | -0.073 | 0.0528 | -0.1891 | 34.414 | 24.767 | 38.559 | 16 | 0.1269 | -0.3511 | -0.4469 | 10.4232 | -17.2639 | 37.7882 | -0.486 | -0.243 | 0.0191 | -0.2009 | 0.0588 | 1.3572 | 1.2425 | -0.9562 | 0.4272 | -0.324 | 0.2424 | 0.0362 | -0.0774 | 0.0457 | 0.2253 | 25.839 | 20.694 | 35.992 | 17 | 6.0517 | -1.9027 | -4.6584 | 32.3642 | 12.3592 | 25.0073 | -0.5706 | -0.1978 | -0.3515 | 0.355 | 0.2017 | 0.8859 | 1.4885 | 0.0397 | 0.3689 | -0.1772 | 0.1816 | 0.0235 | -0.2739 | 0.1097 | 0.0066 | 29.87 | 12.547 | 41.083 | 18 | 4.0763 | -0.5861 | -0.2463 | 30.7831 | -6.8133 | 5.2364 | -0.1381 | -0.0254 | -0.0841 | -0.8504 | 0.3984 | 0.6923 | -0.0374 | 0.3991 | -0.2602 | -0.1275 | 0.1901 | 0.0719 | -0.1399 | 0.0414 | -0.2078 | 32.816 | 24.18 | 32.413 | 19 | 16.0178 | 4.7937 | 1.3543 | 31.5489 | -2.4798 | 8.8455 | -0.2445 | -0.0766 | 0.8593 | 0.2436 | 0.5104 | 0.1306 | -0.4287 | -0.4095 | -0.2659 | -0.2206 | 0.0799 | 0.0213 | -0.279 | 0.0455 | -0.1335 | -6.598 | 70.57 | 6.697 | 20 | 15.7936 | 14.2315 | 12.3643 | 13.63 | 9.5491 | 12.8243 | 0.5833 | 0.1589 | -0.0727 | -0.4098 | -0.8047 | 1.0991 | 0.7826 | -0.6027 | 0.2214 | -0.0723 | 0.0323 | 0.0621 | -0.3119 | 0.0812 | 0.3443 | -12.983 | 61.882 | 7.432 | 21 | 0.0432 | -0.0467 | 0.4643 | 4.4443 | 2.7518 | 7.4057 | -0.0661 | 0.2217 | 0.3113 | -0.6439 | 0.0611 | 0.9122 | -0.6453 | -0.0268 | 0.005 | -0.1987 | 0.1222 | 0.0403 | -0.2345 | 0.054 | 0.1684 | -10.676 | 78.099 | 8.949 | 22 | 29.4808 | 18.9445 | 31.586 | 12.417 | 18.3192 | 49.9369 | -0.4771 | -0.8974 | -0.7082 | 0.4651 | 0.4789 | 1.2867 | -0.4139 | -1.1415 | -0.0019 | -0.2964 | 0.1358 | 0.0985 | 0.0362 | 0.1133 | 0.2597 | -17.015 | 75.443 | 13.01 | 23 | 9.585 | 2.1225 | 2.1424 | 8.8362 | 0.2476 | 2.8531 | 0.0668 | -0.6336 | -0.7491 | 0.6416 | 0.1563 | 0.8666 | 0.0552 | -0.7737 | -0.2231 | -0.051 | 0.0351 | 0.1293 | -0.1703 | 0.1032 | 0.0338 | -12.655 | 69.005 | 14.073 | 24 | 2.609 | -8.0114 | -0.5347 | 25.2804 | 5.0546 | 17.2364 | -0.8179 | -1.3958 | 1.2166 | 0.9808 | 1.3577 | -1.251 | 1.5498 | 0.9501 | -0.5398 | -0.2286 | 0.1697 | -0.1193 | -0.1835 | -0.0471 | 0.0609 | 0.639 | 72.777 | 18.234 | 25 | 10.5826 | 9.9983 | -4.9615 | 21.472 | -12.9168 | 29.9559 | -0.1993 | -0.7588 | 0.3108 | 0.0554 | -0.0011 | -0.3953 | 0.3992 | 0.7423 | 0.2004 | -0.2251 | 0.2148 | 0.0101 | -0.3336 | -0.0088 | 0.0329 | -4.538 | 81.886 | 16.116 | 26 | 1.7052 | 4.1331 | 1.3786 | 32.2933 | -8.4691 | 7.3771 | -0.2702 | 0.0367 | 0.2494 | -0.3852 | 0.849 | 0.3014 | 0.7106 | -0.0526 | -0.5789 | -0.1876 | 0.0823 | 0.0976 | -0.3277 | -0.0043 | -0.141 | -3.845 | 66.106 | 13.359 | 27 | 24.8851 | 12.7978 | -19.1253 | 20.5128 | 1.0698 | 23.2356 | -0.2687 | 1.4295 | 1.1948 | -0.9744 | 1.0072 | -1.372 | 1.023 | 1.1217 | -0.7385 | 0.1775 | 0.1082 | -0.1891 | -0.305 | 0.0024 | 0.0903 | 15.97 | 59.94 | 9.012 | 28 | 19.6726 | -3.1433 | 6.9006 | 5.9744 | 0.9036 | 3.156 | 0.7787 | 1.1235 | -0.7569 | -0.0996 | -0.4626 | -0.3452 | 0.3602 | 0.8918 | -0.3161 | 0.094 | 0.1146 | 0.0104 | -0.2474 | 0.064 | -0.0634 | 16.915 | 51.507 | 7.781 | 29 | 0.7124 | -1.7042 | 0.1772 | 4.3076 | -0.7912 | 0.6288 | -0.0387 | -0.0152 | 0.2648 | -0.22 | -0.0734 | -0.5313 | -0.0463 | 0.2107 | 0.112 | 0.0761 | 0.1508 | -0.1017 | -0.2926 | 0.0332 | -0.1541 | 19.452 | 49.393 | 17.738 | 30 | 7.9568 | 6.8678 | 1.2905 | 15.9955 | 2.6507 | 1.8924 | -0.1798 | 0.0406 | -0.4707 | 0.2499 | 0.1319 | -0.1876 | 0.5898 | -0.1941 | 0.048 | 0.1192 | 0.0646 | 0.15 | -0.2996 | 0.0707 | -0.1084 | -1.76 | 51.625 | 10.259 | 31 | 23.0443 | -2.5282 | 8.4219 | 4.396 | -6.9059 | 11.7661 | -0.7583 | -0.3945 | 1.8798 | 0.9625 | -0.389 | -0.4473 | -1.0661 | 0.4196 | 1.1472 | 0.1285 | 0.1067 | -0.1429 | -0.3042 | -0.0271 | 0.076 | 14.138 | 63.38 | 21.5 | 32 | 3.8936 | 0.0929 | 2.5593 | 1.5243 | 0.8871 | 2.6313 | 0.112 | 0.0421 | 0.3831 | 0.1531 | -0.2416 | -0.0464 | 0.4736 | 0.245 | 0.1297 | 0.1127 | 0.0961 | -0.041 | -0.3364 | 0.006 | -0.1257 | 10.83 | 54.122 | 14.023 | 33 | 5.741 | 0.297 | 1.9694 | 3.232 | 1.4144 | 4.0422 | -0.1025 | -0.5109 | 0.0085 | 0.1839 | 0.2026 | -0.2486 | -0.0301 | 0.0854 | -0.1 | 0.0266 | 0.1202 | -0.0692 | -0.3037 | 0.0266 | -0.1659 | 15.037 | 50.619 | 21.695 | 34 | 13.2833 | 6.018 | 8.595 | 6.7898 | 7.5681 | 10.6807 | -0.1745 | -0.9786 | -0.5614 | 0.3185 | -0.042 | 0.2399 | 0.744 | -1.1022 | 0.2165 | 0.0997 | 0.1157 | 0.0571 | -0.2308 | 0.0898 | -0.0142 | -3.503 | 53.71 | 13.702 | 35 | 32.045 | 9.8542 | 18.1601 | 24.2469 | 16.6545 | 35.2267 | 0.4874 | -1.1418 | -1.3478 | 0.8872 | 0.5281 | -0.9835 | 1.3052 | -0.3802 | -1.0155 | 0.0455 | 0.0099 | 0.1851 | -0.1828 | 0.0527 | 0.1894 | -8.895 | 53.715 | 13.924 | 36 | 3.6584 | -2.078 | -1.1936 | 13.1853 | 3.1199 | 3.1982 | -0.2455 | -0.7889 | -0.2903 | 1.4101 | 0.4581 | -0.0722 | 0.5792 | 0.0726 | -0.2126 | -0.0463 | 0.1972 | 0.0965 | 0.2302 | 0.1731 | -0.0289 | -1.782 | 10.617 | 71.164 | 37 | 2.5153 | 1.5923 | 0.6053 | 13.1265 | 4.883 | 4.6232 | 0.0745 | -0.2792 | -0.4477 | -0.2671 | -0.0463 | 0.6182 | 0.1674 | -0.1711 | -0.0282 | -0.245 | 0.2439 | 0.1078 | -0.0674 | 0.1926 | 0.0214 | -11.143 | 8.533 | 60.808 | 38 | 30.2922 | 15.7584 | 13.8051 | 8.866 | 8.7478 | 9.9624 | 2.1671 | -0.7625 | -3.9402 | 1.0999 | -0.3495 | -0.2746 | 1.0621 | -0.3407 | -1.8176 | 0.3412 | 0.3062 | -0.1202 | 0.0875 | 0.1743 | 0.6775 | -10.362 | -9.294 | 55.405 | 39 | 0.7807 | 1.2508 | -0.5258 | 12.9139 | 1.73 | 6.4876 | 0.2416 | -0.2026 | -0.2074 | -0.4162 | -0.1726 | -0.8637 | 0.5073 | -0.1309 | -0.069 | -0.1314 | 0.2693 | 0.0771 | 0.0475 | 0.1026 | 0.1274 | 7.654 | 5.469 | 59.453 | 40 | 29.2033 | -11.4018 | -4.289 | 4.4671 | 1.7666 | 1.1774 | -0.0942 | -0.943 | -0.0966 | 0.7859 | 0.8296 | -0.2876 | -1.833 | 0.6302 | -0.7354 | -0.0435 | 0.143 | 0.3266 | 0.1848 | 0.0434 | 0.1772 | 5.147 | 21.255 | 57.81 | 41 | 2.9491 | -2.6738 | 0.6324 | 3.0511 | -1.1616 | 2.2129 | 0.0627 | -0.4031 | -0.0919 | 0.0935 | 0.0239 | -0.4118 | 0.1202 | 0.2469 | -0.0866 | -0.2105 | 0.2456 | 0.1231 | -0.0063 | 0.1566 | -0.0051 | -0.736 | 11.064 | 62.36 | 42 | 3.1978 | 2.4293 | 0.0586 | 7.8756 | 3.0231 | 3.2892 | -0.0971 | -0.4712 | -0.3731 | -0.4715 | 0.538 | 0.303 | 0.0428 | -0.05 | -0.4408 | -0.2085 | 0.2168 | 0.1567 | 0.0335 | 0.2112 | -0.0212 | -7.51 | 9.886 | 63.917 | 43 | 3.2569 | -1.5768 | -0.3956 | 6.4442 | 1.3718 | 3.6279 | 0.3404 | 0.1063 | -0.6396 | -1.4276 | -0.1887 | 0.1475 | 0.3419 | 0.0405 | -0.1517 | -0.0032 | 0.2066 | 0.1249 | -0.0239 | 0.1303 | 0.147 | -2.679 | 7.516 | 53.637 | 44 | 54.7813 | -41.7337 | -11.9355 | 33.766 | 1.0421 | 35.4615 | 2.0604 | 1.4048 | -2.3454 | -1.1745 | -0.4827 | -0.5445 | 1.9174 | -0.9825 | -1.5777 | 0.6105 | 0.05 | 0.0331 | -0.2467 | 0.0765 | 0.2669 | 16.508 | -6.425 | 54.972 | 45 | 36.6056 | -1.8064 | 20.5693 | 0.3818 | -2.993 | 24.9286 | -2.068 | 0.6097 | 0.5861 | -0.1201 | -0.064 | 0.368 | 2.3303 | -0.6457 | 2.132 | 1.34 | -0.3768 | 0.2851 | 0.1461 | 0.0738 | 0.5113 | 12.249 | -12.689 | 52.887 | 46 | 10.2935 | 1.9913 | 1.2417 | 1.1459 | 1.8668 | 3.628 | -0.6693 | 0.1488 | -1.2175 | 0.0578 | -0.4978 | 0.1932 | 1.9889 | 0.0104 | 1.1672 | 0.5036 | 0.2817 | 0.2952 | -0.0575 | 0.1518 | 0.6975 | 27.249 | -4.041 | 47.741 | 47 | 21.2545 | 7.8028 | 27.6695 | 43.9451 | -10.4065 | 46.3147 | -2.1731 | 2.5817 | -0.8231 | -0.3302 | 0.361 | -1.7079 | 2.8436 | -1.2661 | 1.8121 | 0.5442 | 0.2251 | 0.5915 | 0.3361 | -0.1254 | 0.3408 | 20.51 | -7.401 | 41.99 | 48 | 21.2194 | 2.8432 | 3.9921 | 10.0007 | 4.6778 | 34.2002 | -0.5679 | -0.4607 | 0.7122 | 1.534 | 0.2017 | -2.246 | 1.1802 | -2.2585 | 0.3661 | 0.8721 | -0.1522 | -0.0306 | 0.121 | -0.0884 | 0.5104 | 16.841 | -13.149 | 42.681 | 49 | 5.5304 | -3.7649 | 5.6711 | 4.3232 | 4.933 | 49.7487 | 0.0912 | 2.1971 | -0.0156 | -1.5287 | -0.0019 | -0.712 | -0.4465 | -1.674 | -0.0894 | 0.0172 | 0.1066 | 0.2846 | 0.3613 | 0.0962 | 0.211 | 12.525 | -1.511 | 46.016 | 50 | 21.3675 | -16.9233 | 27.585 | 17.4198 | -11.3585 | 63.0053 | -0.0965 | 0.2071 | 0.2391 | -0.6466 | 0.9576 | -1.749 | 0.3573 | 0.4017 | -0.8611 | -0.0128 | 0.0743 | 0.2314 | 0.0202 | -0.0099 | 0.3551 | 16.949 | 6.482 | 51.701 | 51 | 6.4754 | 6.488 | -3.8649 | 7.0608 | -2.4931 | 5.7032 | -0.1642 | 0.1309 | 0.999 | -0.7693 | 0.2511 | -0.1787 | -0.0337 | -0.4259 | -0.0869 | 0.1391 | 0.265 | 0.2178 | 0.0666 | 0.0505 | 0.3847 | 17.666 | 1.003 | 50.539 | 52 | 17.0762 | 15.2769 | 1.5068 | 47.5467 | -2.7555 | 35.4492 | 0.1013 | -1.6776 | -1.1494 | 2.5936 | -0.1231 | -0.3575 | 0.4772 | -0.1752 | 0.0219 | -0.1613 | 0.1981 | 0.1676 | -0.0014 | 0.1468 | 0.091 | -27.975 | 12.926 | 70.197 | 53 | 2.5803 | -1.9318 | -0.4739 | 11.6738 | 5.1684 | 6.0689 | -0.2354 | -1.0799 | -0.636 | 0.686 | 0.5236 | 0.2773 | 0.3928 | 0.138 | -0.2882 | -0.0878 | 0.1419 | 0.1486 | 0.1946 | 0.2743 | 0.0537 | -20.028 | 10.338 | 71.59 | 54 | 2.6602 | 1.6536 | 0.525 | 12.0546 | 5.3732 | 4.9918 | 0.2102 | -0.4786 | 0.2638 | 0.1008 | 0.0741 | -0.4395 | -0.2006 | 0.3156 | -0.2843 | -0.2518 | 0.1922 | 0.2366 | 0.1373 | 0.1 | -0.1074 | -12.557 | 25.367 | 69.796 | 55 | 3.7172 | -2.5578 | -3.4819 | 1.8803 | 3.3349 | 10.591 | -0.2365 | -0.2552 | -0.269 | 0.141 | -0.4086 | 0.5816 | -0.0403 | -0.2206 | 0.6452 | -0.1057 | 0.2209 | 0.25 | 0.0117 | 0.1415 | -0.0265 | -30.618 | 21.518 | 65.519 | 56 | 1.1711 | -0.6597 | -1.6672 | 0.929 | 1.0151 | 2.384 | 0.1916 | -0.3694 | -0.1207 | -0.128 | -0.2497 | 0.0646 | -0.1339 | -0.3669 | 0.0582 | -0.1564 | 0.208 | 0.1766 | 0.0486 | 0.1764 | -0.1011 | -23.28 | 17.292 | 64.444 | 57 | 2.1664 | 1.0801 | 0.7698 | 3.477 | 2.6385 | 5.0185 | 0.1249 | -0.146 | -0.0791 | -0.1365 | 0.1631 | -0.1515 | 0.221 | 0.2797 | -0.288 | -0.2288 | 0.2725 | 0.207 | -0.0281 | 0.1364 | -0.0885 | -15.837 | 16.343 | 61.462 | 58 | 1.5955 | -4.5641 | -4.1228 | 13.2058 | 12.6639 | 15.7037 | 0.371 | -0.3177 | 0.0576 | -0.458 | -0.0276 | -0.0672 | -0.5057 | 0.6937 | -0.3434 | -0.1714 | 0.2528 | 0.2424 | 0.0419 | 0.1268 | -0.0534 | -24.867 | 27.583 | 63.768 | 59 | 9.6784 | 7.2374 | 6.5184 | 9.3427 | 2.8939 | 14.0234 | -0.4126 | 0.2982 | 0.496 | -0.4472 | -0.0374 | -0.3522 | -0.5956 | 1.2504 | 0.45 | 0.0053 | 0.169 | 0.4352 | 0.3522 | 0.0589 | 0.169 | -18.389 | 39.7 | 74.021 | 60 | 36.5288 | 11.0007 | -4.8908 | 18.5516 | 8.7629 | 16.2822 | 0.3828 | -1.1254 | 1.0411 | 0.0725 | -0.1088 | 0.4295 | 0.6891 | 0.1089 | -0.274 | -0.0482 | 0.2369 | 0.2427 | 0.1414 | 0.0516 | -0.0979 | -38.179 | 35.227 | 74.198 | 61 | 24.4052 | 13.443 | -1.0496 | 9.6312 | 0.42 | 11.3922 | 0.7387 | -1.4101 | 2.0426 | 0.1226 | -0.932 | 0.485 | -0.2117 | -0.501 | 0.1933 | -0.0751 | 0.1475 | 0.3274 | 0.2548 | -0.1813 | 0.1792 | -39.961 | 38.8 | 77.677 | 62 | 43.9104 | 8.0057 | -6.0567 | 17.9393 | -2.3189 | 1.2615 | 1.5544 | 0.4052 | 2.2854 | -0.0171 | -0.6938 | 0.0505 | -0.5809 | -0.1703 | -0.8606 | -0.0421 | 0.2395 | 0.3461 | 0.2159 | 0.2266 | 0.2237 | -51.627 | 38.844 | 64.485 | 63 | 29.7604 | 10.698 | -3.8436 | 26.9958 | 14.4129 | 54.1492 | 0.568 | -0.0301 | 2.4357 | 0.8574 | -1.108 | -1.0743 | -0.4864 | 1.3658 | 0.5399 | 0.0817 | 0.1883 | 0.3863 | 0.0923 | 0.2214 | 1.0036 | -44.309 | 43.497 | 66.926 | 64 | 11.6989 | 2.6981 | 0.204 | 14.6706 | 4.9802 | 7.9729 | 0.4709 | 0.1963 | 2.5619 | -0.7644 | -0.145 | 0.3212 | -0.8145 | 0.0937 | -0.3258 | -0.084 | 0.1653 | 0.4073 | 0.1185 | 0.1046 | 0.4478 | -38.753 | 42.407 | 68.507 | 65 | 37.7159 | 3.6088 | 12.3121 | 71.27 | -58.6844 | 65.5383 | 0.6655 | 1.9239 | -0.889 | -0.7627 | 1.3633 | 1.4414 | -1.5017 | -1.0256 | -2.0287 | 0.1864 | 0.3574 | 0.4116 | 0.154 | -0.0445 | 0.0629 | -40.254 | 28.628 | 61.639 | 66 | 24.7981 | 19.9054 | -24.4408 | 36.7764 | -33.4949 | 52.0841 | -0.074 | 1.194 | 1.0059 | -2.3229 | 0.4702 | 0.9446 | 2.523 | -0.5044 | -0.3962 | -0.0596 | 0.223 | 0.1822 | 0.1266 | 0.0694 | 0.1522 | -50.026 | 32.874 | 63.367 | 67 | 43.5431 | 2.6067 | -9.6904 | 2.1102 | -0.3925 | 6.0629 | 0.5585 | 0.6424 | 0.0189 | -0.385 | -0.1667 | 0.1592 | -0.1264 | -0.1966 | -0.3917 | -0.0891 | 0.1929 | 0.2422 | 0.0368 | 0.0367 | -0.1346 | -34.239 | 32.595 | 68.072 |
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精密化 TLSグループ | ID | Refine-ID | Refine TLS-ID | Auth asym-ID | Label asym-ID | Auth seq-ID | Label seq-ID |
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1 | X-RAY DIFFRACTION | 1 | AA1 - 21 | 1 - 21 | 2 | X-RAY DIFFRACTION | 2 | AA22 - 35 | 22 - 35 | 3 | X-RAY DIFFRACTION | 3 | AA36 - 48 | 36 - 48 | 4 | X-RAY DIFFRACTION | 4 | AA49 - 59 | 49 - 59 | 5 | X-RAY DIFFRACTION | 5 | AA60 - 69 | 60 - 69 | 6 | X-RAY DIFFRACTION | 6 | AA70 - 85 | 70 - 85 | 7 | X-RAY DIFFRACTION | 7 | AA86 - 111 | 86 - 111 | 8 | X-RAY DIFFRACTION | 8 | AA112 - 124 | 112 - 124 | 9 | X-RAY DIFFRACTION | 9 | AA125 - 136 | 125 - 136 | 10 | X-RAY DIFFRACTION | 10 | BB1 - 8 | 1 - 8 | 11 | X-RAY DIFFRACTION | 11 | BB9 - 22 | 9 - 22 | 12 | X-RAY DIFFRACTION | 12 | BB23 - 31 | 23 - 31 | 13 | X-RAY DIFFRACTION | 13 | BB32 - 36 | 32 - 36 | 14 | X-RAY DIFFRACTION | 14 | BB37 - 43 | 37 - 43 | 15 | X-RAY DIFFRACTION | 15 | BB44 - 52 | 44 - 52 | 16 | X-RAY DIFFRACTION | 16 | BB53 - 57 | 53 - 57 | 17 | X-RAY DIFFRACTION | 17 | BB58 - 64 | 58 - 64 | 18 | X-RAY DIFFRACTION | 18 | BB65 - 77 | 65 - 77 | 19 | X-RAY DIFFRACTION | 19 | DH1 - 7 | 1 - 7 | 20 | X-RAY DIFFRACTION | 20 | DH8 - 12 | 8 - 12 | 21 | X-RAY DIFFRACTION | 21 | DH13 - 23 | 13 - 23 | 22 | X-RAY DIFFRACTION | 21 | DH24 - 31 | 24 - 31 | 23 | X-RAY DIFFRACTION | 22 | DH32 - 38 | 32 - 38 | 24 | X-RAY DIFFRACTION | 23 | DH39 - 52 | 39 - 52 | 25 | X-RAY DIFFRACTION | 24 | DH53 - 57 | 53 - 57 | 26 | X-RAY DIFFRACTION | 25 | DH58 - 65 | 58 - 65 | 27 | X-RAY DIFFRACTION | 26 | DH66 - 77 | 66 - 77 | 28 | X-RAY DIFFRACTION | 27 | EG1 - 5 | 1 - 5 | 29 | X-RAY DIFFRACTION | 28 | EG6 - 21 | 6 - 21 | 30 | X-RAY DIFFRACTION | 29 | EG22 - 35 | 22 - 35 | 31 | X-RAY DIFFRACTION | 30 | EG36 - 59 | 36 - 59 | 32 | X-RAY DIFFRACTION | 31 | EG60 - 69 | 60 - 69 | 33 | X-RAY DIFFRACTION | 32 | EG70 - 87 | 70 - 87 | 34 | X-RAY DIFFRACTION | 33 | EG88 - 112 | 88 - 112 | 35 | X-RAY DIFFRACTION | 34 | EG113 - 130 | 113 - 130 | |
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