*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 4 1bqp_p00 PROTEIN (LECTIN) user 3 4 RMSD = 1.04 A TRANSFORM -0.9660 -0.1589 0.2039 -0.1303 -0.3819 -0.9150 -0.2233 0.9104 -0.3482 61.138 54.276 40.123 A 80 ALA C 57 ALA.? A 81 ASP C 58 ASP.? A 99 GLY C 53 GLY.? A 125 ASN C 100 ASN.? ULMNm 4 1bqp_p00 PROTEIN (LECTIN) user 1 4 RMSD = 1.05 A TRANSFORM 0.3360 0.9254 0.1751 -0.2595 0.2696 -0.9274 0.9054 -0.2662 -0.3307 -15.297 40.103 33.884 A 80 ALA A 57 ALA.? A 81 ASP A 58 ASP.? A 99 GLY A 53 GLY.? A 125 ASN A 100 ASN.? ULMNm 4 1bqp_p00 PROTEIN (LECTIN) user 2 4 RMSD = 1.06 A TRANSFORM 0.6298 -0.7521 0.1943 0.3930 0.0928 -0.9148 -0.6700 -0.6525 -0.3540 22.283 21.865 101.180 A 80 ALA B 57 ALA.? A 81 ASP B 58 ASP.? A 99 GLY B 53 GLY.? A 125 ASN B 100 ASN.? ULMNm 4 1k32_c04 TRICORN PROTEASE user 3 4 RMSD = 1.19 A TRANSFORM -0.3468 -0.9368 0.0454 -0.8989 0.3182 -0.3012 -0.2677 0.1453 0.9525 -10.011 82.712 27.924 E 746 HIS A 129 HIS.? E 918 GLY C 24 GLY.? E 965 SER A 116 SER~? E 966 ASP A 113 ASP~? ULMNm 4 1k32_c03 TRICORN PROTEASE user 3 4 RMSD = 1.19 A TRANSFORM 0.3412 0.9389 -0.0455 0.9017 -0.3133 0.2978 -0.2654 0.1427 0.9535 -37.908 -82.881 28.024 D 746 HIS A 129 HIS.? D 918 GLY C 24 GLY.? D 965 SER A 116 SER~? D 966 ASP A 113 ASP~? ULMNm 4 1k32_c02 TRICORN PROTEASE user 3 4 RMSD = 1.20 A TRANSFORM -0.4358 -0.8970 0.0736 0.6488 -0.3698 -0.6651 -0.6238 0.2421 -0.7431 -2.765 -36.748 104.229 C 746 HIS A 129 HIS.? C 918 GLY C 24 GLY.? C 965 SER A 116 SER~? C 966 ASP A 113 ASP~? ULMNm 4 1k32_c05 TRICORN PROTEASE user 3 4 RMSD = 1.20 A TRANSFORM 0.4435 0.8927 -0.0794 -0.6409 0.3778 0.6682 -0.6266 0.2455 -0.7397 -45.496 36.452 104.160 F 746 HIS A 129 HIS.? F 918 GLY C 24 GLY.? F 965 SER A 116 SER~? F 966 ASP A 113 ASP~? ULMNm 4 1k32_c01 TRICORN PROTEASE user 3 4 RMSD = 1.21 A TRANSFORM 0.4004 0.9157 0.0340 -0.1744 0.1126 -0.9782 0.8996 -0.3857 -0.2048 -45.361 42.479 -38.353 B 746 HIS A 129 HIS.? B 918 GLY C 24 GLY.? B 965 SER A 116 SER~? B 966 ASP A 113 ASP~? ULMNm 4 1k32_c00 TRICORN PROTEASE user 3 4 RMSD = 1.23 A TRANSFORM -0.4075 -0.9126 -0.0334 0.1794 -0.1159 0.9769 0.8954 -0.3922 -0.2110 -2.395 -42.732 -37.983 A 746 HIS A 129 HIS.? A 918 GLY C 24 GLY.? A 965 SER A 116 SER~? A 966 ASP A 113 ASP~? ULMNm 4 1k32_c04 TRICORN PROTEASE user 4 4 RMSD = 1.23 A TRANSFORM -0.6392 0.7686 0.0253 0.7369 0.6216 -0.2658 0.2200 0.1513 0.9637 -48.488 15.563 10.398 E 746 HIS B 129 HIS.? E 918 GLY A 24 GLY.? E 965 SER B 116 SER~? E 966 ASP B 113 ASP~? ULMNm 4 1k32_c03 TRICORN PROTEASE user 4 4 RMSD = 1.24 A TRANSFORM 0.6436 -0.7649 -0.0251 -0.7341 -0.6264 0.2622 0.2163 0.1503 0.9647 0.168 -15.451 10.666 D 746 HIS B 129 HIS.? D 918 GLY A 24 GLY.? D 965 SER B 116 SER~? D 966 ASP B 113 ASP~? ULMNm 4 1k32_c05 TRICORN PROTEASE user 4 4 RMSD = 1.25 A TRANSFORM 0.5538 -0.8302 -0.0634 0.6194 0.3599 0.6977 0.5564 0.4257 -0.7136 -0.011 -7.997 56.688 F 746 HIS B 129 HIS.? F 918 GLY A 24 GLY.? F 965 SER B 116 SER~? F 966 ASP B 113 ASP~? ULMNm 4 1k32_c02 TRICORN PROTEASE user 4 4 RMSD = 1.25 A TRANSFORM -0.5615 0.8255 0.0571 -0.6164 -0.3713 -0.6944 0.5520 0.4251 -0.7173 -47.683 8.440 56.932 C 746 HIS B 129 HIS.? C 918 GLY A 24 GLY.? C 965 SER B 116 SER~? C 966 ASP B 113 ASP~? ULMNm 4 1k32_c04 TRICORN PROTEASE user 7 4 RMSD = 1.25 A TRANSFORM 0.9841 0.1745 0.0342 0.1769 -0.9412 -0.2878 0.0181 -0.2893 0.9571 -88.818 80.748 30.228 E 746 HIS C 129 HIS.? E 918 GLY B 24 GLY.? E 965 SER C 116 SER~? E 966 ASP C 113 ASP~? ULMNm 4 1k32_c03 TRICORN PROTEASE user 7 4 RMSD = 1.26 A TRANSFORM -0.9831 -0.1800 -0.0343 -0.1823 0.9413 0.2840 0.0189 -0.2854 0.9582 40.887 -80.485 30.199 D 746 HIS C 129 HIS.? D 918 GLY B 24 GLY.? D 965 SER C 116 SER~? D 966 ASP C 113 ASP~? ULMNm 4 1k32_c01 TRICORN PROTEASE user 4 4 RMSD = 1.26 A TRANSFORM 0.5909 -0.8051 0.0522 0.2255 0.1027 -0.9688 -0.7746 -0.5842 -0.2422 -2.801 28.416 27.129 B 746 HIS B 129 HIS.? B 918 GLY A 24 GLY.? B 965 SER B 116 SER~? B 966 ASP B 113 ASP~? ULMNm 4 1k32_c05 TRICORN PROTEASE user 7 4 RMSD = 1.27 A TRANSFORM -0.9951 -0.0693 -0.0699 0.0032 -0.7330 0.6802 0.0984 -0.6767 -0.7297 32.853 45.454 104.951 F 746 HIS C 129 HIS.? F 918 GLY B 24 GLY.? F 965 SER C 116 SER~? F 966 ASP C 113 ASP~? ULMNm 4 1k32_c02 TRICORN PROTEASE user 7 4 RMSD = 1.27 A TRANSFORM 0.9949 0.0783 0.0639 -0.0144 0.7359 -0.6770 0.1000 -0.6726 -0.7332 -81.207 -44.922 104.846 C 746 HIS C 129 HIS.? C 918 GLY B 24 GLY.? C 965 SER C 116 SER~? C 966 ASP C 113 ASP~? ULMNm 4 1k32_c00 TRICORN PROTEASE user 4 4 RMSD = 1.27 A TRANSFORM -0.5844 0.8099 -0.0512 -0.2308 -0.1055 0.9673 -0.7780 -0.5771 -0.2486 -45.492 -28.312 27.076 A 746 HIS B 129 HIS.? A 918 GLY A 24 GLY.? A 965 SER B 116 SER~? A 966 ASP B 113 ASP~? ULMNm 4 1k32_c01 TRICORN PROTEASE user 7 4 RMSD = 1.28 A TRANSFORM -0.9922 -0.1164 0.0443 -0.0173 -0.2235 -0.9746 -0.1233 0.9677 -0.2197 33.360 46.572 -40.920 B 746 HIS C 129 HIS.? B 918 GLY B 24 GLY.? B 965 SER C 116 SER~? B 966 ASP C 113 ASP~? ULMNm 4 1k32_c00 TRICORN PROTEASE user 7 4 RMSD = 1.29 A TRANSFORM 0.9931 0.1085 -0.0435 0.0175 0.2293 0.9732 -0.1155 0.9673 -0.2259 -81.088 -46.916 -41.149 A 746 HIS C 129 HIS.? A 918 GLY B 24 GLY.? A 965 SER C 116 SER~? A 966 ASP C 113 ASP~? ULMNm 4 1fy2_c00 ASPARTYL DIPEPTIDASE user 1 4 RMSD = 1.36 A TRANSFORM -0.7110 -0.5823 -0.3941 -0.6914 0.4769 0.5428 0.1281 -0.6584 0.7417 42.361 20.418 3.489 A 120 SER A 116 SER~? A 121 ALA A 115 ALA~? A 157 HIS A 129 HIS.? A 192 GLU C 27 GLU.? ULMNm 4 1fy2_c00 ASPARTYL DIPEPTIDASE user 3 4 RMSD = 1.37 A TRANSFORM 0.8468 -0.3398 -0.4092 -0.0674 -0.8317 0.5511 0.5276 0.4392 0.7272 -19.163 36.003 -42.252 A 120 SER C 116 SER~? A 121 ALA C 115 ALA~? A 157 HIS C 129 HIS.? A 192 GLU B 27 GLU.? ULMNm 4 1fy2_c00 ASPARTYL DIPEPTIDASE user 2 4 RMSD = 1.39 A TRANSFORM -0.1510 0.9036 -0.4009 0.7397 0.3723 0.5605 -0.6557 0.2119 0.7246 -20.159 -27.566 6.510 A 120 SER B 116 SER~? A 121 ALA B 115 ALA~? A 157 HIS B 129 HIS.? A 192 GLU A 27 GLU.? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 3 3 RMSD = 0.34 A TRANSFORM -0.5037 0.1253 -0.8548 -0.4711 -0.8692 0.1502 0.7241 -0.4784 -0.4968 43.630 -0.164 -46.308 B 250 ALA A 115 ALA~? B 251 GLY A 114 GLY~? B 252 ASP A 117 ASP~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 9 3 RMSD = 0.35 A TRANSFORM 0.1332 -0.5380 -0.8324 0.9887 0.0134 0.1495 0.0692 0.8429 -0.5336 39.809 -77.129 -60.934 B 250 ALA C 115 ALA~? B 251 GLY C 114 GLY~? B 252 ASP C 117 ASP~? ULMNm 3 1lij_c01 ADENOSINE KINASE user 3 3 RMSD = 0.36 A TRANSFORM -0.4079 0.4874 0.7720 -0.0922 -0.8633 0.4963 -0.9083 -0.1313 -0.3971 129.066 24.588 27.231 A 316 ALA A 115 ALA~? A 317 GLY A 114 GLY~? A 318 ASP A 117 ASP~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 6 3 RMSD = 0.36 A TRANSFORM 0.3894 0.3774 -0.8402 -0.5216 0.8422 0.1366 -0.7592 -0.3850 -0.5248 4.495 -47.454 3.829 B 250 ALA B 115 ALA~? B 251 GLY B 114 GLY~? B 252 ASP B 117 ASP~? ULMNm 3 1lij_c01 ADENOSINE KINASE user 9 3 RMSD = 0.37 A TRANSFORM -0.2296 -0.5587 0.7970 0.8007 0.3571 0.4811 0.5534 -0.7486 -0.3653 152.791 -41.844 -7.066 A 316 ALA C 115 ALA~? A 317 GLY C 114 GLY~? A 318 ASP C 117 ASP~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 3 3 RMSD = 0.37 A TRANSFORM 0.0847 0.9844 -0.1543 0.5644 0.0802 0.8216 -0.8212 0.1567 0.5488 11.293 -47.769 0.659 A 250 ALA A 115 ALA~? A 251 GLY A 114 GLY~? A 252 ASP A 117 ASP~? ULMNm 3 1lij_c01 ADENOSINE KINASE user 6 3 RMSD = 0.37 A TRANSFORM 0.5996 0.1059 0.7933 -0.7177 0.5097 0.4745 0.3541 0.8538 -0.3816 104.171 7.531 -46.044 A 316 ALA B 115 ALA~? A 317 GLY B 114 GLY~? A 318 ASP B 117 ASP~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 9 3 RMSD = 0.39 A TRANSFORM -0.9031 -0.4072 -0.1366 -0.3425 0.4907 0.8012 0.2592 -0.7703 0.5826 86.059 -27.156 -11.063 A 250 ALA C 115 ALA~? A 251 GLY C 114 GLY~? A 252 ASP C 117 ASP~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 6 3 RMSD = 0.39 A TRANSFORM 0.8146 -0.5654 -0.1293 -0.2409 -0.5326 0.8113 0.5276 0.6298 0.5701 29.735 -1.420 -60.931 A 250 ALA B 115 ALA~? A 251 GLY B 114 GLY~? A 252 ASP B 117 ASP~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 9 3 RMSD = 0.41 A TRANSFORM 0.8380 0.4533 -0.3037 -0.4384 0.8908 0.1199 -0.3249 -0.0327 -0.9452 -20.527 22.146 78.911 A 316 ALA C 115 ALA~? A 317 GLY C 114 GLY~? A 318 ASP C 117 ASP~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 3 3 RMSD = 0.42 A TRANSFORM 0.0026 -0.9590 -0.2835 0.9868 -0.0435 0.1562 0.1621 0.2802 -0.9462 49.500 -1.706 52.882 A 316 ALA A 115 ALA~? A 317 GLY A 114 GLY~? A 318 ASP A 117 ASP~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 6 3 RMSD = 0.43 A TRANSFORM -0.8217 0.4786 -0.3092 -0.5362 -0.8332 0.1351 0.1930 -0.2768 -0.9413 37.609 75.217 67.685 A 316 ALA B 115 ALA~? A 317 GLY B 114 GLY~? A 318 ASP B 117 ASP~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 2 3 RMSD = 0.85 A TRANSFORM 0.6381 -0.7455 0.1927 0.5430 0.6131 0.5738 0.5459 0.2615 -0.7960 20.764 -12.026 41.155 A 316 ALA A 115 ALA~? A 317 GLY A 114 GLY~? A 318 ASP A 113 ASP~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 5 3 RMSD = 0.86 A TRANSFORM -0.9721 -0.1775 0.1531 0.2336 -0.7892 0.5679 -0.0200 -0.5879 -0.8087 61.937 39.652 85.616 A 316 ALA B 115 ALA~? A 317 GLY B 114 GLY~? A 318 ASP B 113 ASP~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 8 3 RMSD = 0.87 A TRANSFORM 0.3412 0.9287 0.1455 -0.8026 0.2073 0.5594 -0.4893 0.3076 -0.8160 -16.254 47.637 76.414 A 316 ALA C 115 ALA~? A 317 GLY C 114 GLY~? A 318 ASP C 113 ASP~? ULMNm 3 1lij_c01 ADENOSINE KINASE user 2 3 RMSD = 0.90 A TRANSFORM -0.9463 0.1861 0.2644 0.0799 -0.6577 0.7490 -0.3132 -0.7299 -0.6075 157.751 11.502 28.521 A 316 ALA A 115 ALA~? A 317 GLY A 114 GLY~? A 318 ASP A 113 ASP~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 2 3 RMSD = 0.91 A TRANSFORM 0.0854 -0.3234 -0.9424 0.0282 -0.9447 0.3268 0.9959 0.0545 0.0715 39.804 -14.231 -74.207 B 250 ALA A 115 ALA~? B 251 GLY A 114 GLY~? B 252 ASP A 113 ASP~? ULMNm 3 1lij_c01 ADENOSINE KINASE user 5 3 RMSD = 0.92 A TRANSFORM 0.6280 0.7174 0.3015 -0.6355 0.2491 0.7308 -0.4492 0.6506 -0.6124 86.297 11.117 -6.635 A 316 ALA B 115 ALA~? A 317 GLY B 114 GLY~? A 318 ASP B 113 ASP~? ULMNm 3 1lij_c01 ADENOSINE KINASE user 8 3 RMSD = 0.93 A TRANSFORM 0.2943 -0.9024 0.3146 0.5315 0.4281 0.7309 0.7943 0.0479 -0.6056 144.666 -35.220 -33.308 A 316 ALA C 115 ALA~? A 317 GLY C 114 GLY~? A 318 ASP C 113 ASP~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 5 3 RMSD = 0.93 A TRANSFORM -0.2871 0.1072 -0.9519 -0.8413 0.4469 0.3041 -0.4580 -0.8881 0.0381 40.397 -23.224 4.908 B 250 ALA B 115 ALA~? B 251 GLY B 114 GLY~? B 252 ASP B 113 ASP~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 8 3 RMSD = 0.94 A TRANSFORM 0.2476 0.1814 -0.9517 0.8105 0.4994 0.3060 -0.5308 0.8472 0.0233 19.294 -83.097 -42.383 B 250 ALA C 115 ALA~? B 251 GLY C 114 GLY~? B 252 ASP C 113 ASP~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 2 3 RMSD = 0.94 A TRANSFORM -0.3397 0.7787 -0.5275 -0.1163 0.5218 0.8451 -0.9333 -0.3484 0.0867 32.809 -40.298 22.075 A 250 ALA A 115 ALA~? A 251 GLY A 114 GLY~? A 252 ASP A 113 ASP~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 5 3 RMSD = 0.96 A TRANSFORM 0.8626 -0.0905 -0.4978 0.4776 -0.1791 0.8601 0.1670 0.9797 0.1112 14.800 -41.026 -55.488 A 250 ALA B 115 ALA~? A 251 GLY B 114 GLY~? A 252 ASP B 113 ASP~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 8 3 RMSD = 0.97 A TRANSFORM -0.5129 -0.7016 -0.4947 -0.4060 -0.3095 0.8599 0.7564 -0.6419 0.1260 80.942 -5.974 -29.716 A 250 ALA C 115 ALA~? A 251 GLY C 114 GLY~? A 252 ASP C 113 ASP~? ULMNm 3 1hkd_p00 PEA LECTIN ALPHA CHAIN user 5 3 RMSD = 1.04 A TRANSFORM 0.0706 -0.2020 -0.9768 -0.8757 -0.4816 0.0363 0.4778 -0.8528 0.2109 26.300 90.886 -26.730 A 81 ASP C 58 ASP.? A 99 GLY C 53 GLY.? A 125 ASN C 100 ASN.? ULMNm 3 1hkd_p00 PEA LECTIN ALPHA CHAIN user 1 3 RMSD = 1.05 A TRANSFORM -0.1972 -0.0112 -0.9803 0.0039 0.9999 -0.0122 -0.9804 0.0062 0.1971 30.110 18.360 0.187 A 81 ASP A 58 ASP.? A 99 GLY A 53 GLY.? A 125 ASN A 100 ASN.? ULMNm 3 1hkd_p00 PEA LECTIN ALPHA CHAIN user 3 3 RMSD = 1.05 A TRANSFORM 0.1137 0.1780 -0.9774 0.8661 -0.4998 0.0097 0.4868 0.8476 0.2110 13.628 30.741 -76.160 A 81 ASP B 58 ASP.? A 99 GLY B 53 GLY.? A 125 ASN B 100 ASN.? ULMNm 3 1pfq_c02 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 3 3 RMSD = 1.23 A TRANSFORM -0.3933 0.5923 -0.7032 -0.5668 -0.7584 -0.3218 0.7239 -0.2720 -0.6340 10.263 63.610 23.110 A 630 SER B 104 SER.? A 709 ASP B 58 ASP.? A 740 HIS B 102 HIS.? ULMNm 3 1pfq_c02 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 5 3 RMSD = 1.24 A TRANSFORM 0.7132 0.0566 -0.6986 -0.3820 0.8671 -0.3197 -0.5876 -0.4950 -0.6401 -13.403 10.221 75.961 A 630 SER C 104 SER.? A 709 ASP C 58 ASP.? A 740 HIS C 102 HIS.? ULMNm 3 1pfq_c03 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 3 3 RMSD = 1.25 A TRANSFORM 0.6678 -0.0245 0.7440 -0.3170 -0.9137 0.2544 -0.6735 0.4057 0.6179 -42.876 44.883 15.105 B 630 SER B 104 SER.? B 709 ASP B 58 ASP.? B 740 HIS B 102 HIS.? ULMNm 3 1pfq_c03 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 5 3 RMSD = 1.26 A TRANSFORM -0.3509 -0.5742 0.7398 -0.6428 0.7221 0.2556 0.6809 0.3859 0.6225 8.923 9.174 -32.214 B 630 SER C 104 SER.? B 709 ASP C 58 ASP.? B 740 HIS C 102 HIS.? ULMNm 3 1pfq_c02 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 1 3 RMSD = 1.27 A TRANSFORM -0.3053 -0.6519 -0.6941 0.9455 -0.1208 -0.3025 -0.1133 0.7487 -0.6532 42.936 -8.606 23.652 A 630 SER A 104 SER.? A 709 ASP A 58 ASP.? A 740 HIS A 102 HIS.? ULMNm 3 1pfq_c03 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 1 3 RMSD = 1.29 A TRANSFORM -0.3249 0.6072 0.7251 0.9454 0.1861 0.2677 -0.0276 -0.7724 0.6345 -25.717 -31.771 25.929 B 630 SER A 104 SER.? B 709 ASP A 58 ASP.? B 740 HIS A 102 HIS.? ULMNm 3 1hkd_p00 PEA LECTIN ALPHA CHAIN user 2 3 RMSD = 1.30 A TRANSFORM 0.5717 0.0855 -0.8160 -0.8188 0.1217 -0.5610 -0.0514 -0.9889 -0.1396 4.979 78.727 17.867 A 81 ASP A 58 ASP.? A 99 GLY A 53 GLY.? A 125 ASN A 142 ASN.? ULMNm 3 1xva_c03 GLYCINE N-METHYLTRANSFERASE user 4 3 RMSD = 1.32 A TRANSFORM -0.3502 -0.7881 -0.5061 0.9352 -0.2638 -0.2363 -0.0527 0.5561 -0.8295 140.816 43.731 10.532 B 137 GLY A 97 GLY^? B 175 ARG A 131 ARG^? B 242 TYR C 148 TYR^? ULMNm 3 1xva_c03 GLYCINE N-METHYLTRANSFERASE user 7 3 RMSD = 1.32 A TRANSFORM -0.4924 0.6987 -0.5189 -0.6920 -0.6759 -0.2535 0.5279 -0.2343 -0.8164 103.189 113.323 12.572 B 137 GLY B 97 GLY^? B 175 ARG B 131 ARG^? B 242 TYR A 148 TYR^? ULMNm 3 1xva_c03 GLYCINE N-METHYLTRANSFERASE user 11 3 RMSD = 1.32 A TRANSFORM 0.8581 0.0619 -0.5098 -0.2223 0.9397 -0.2600 -0.4629 -0.3364 -0.8201 73.742 50.139 50.614 B 137 GLY C 97 GLY^? B 175 ARG C 131 ARG^? B 242 TYR B 148 TYR^? ULMNm 3 1hkd_p00 PEA LECTIN ALPHA CHAIN user 6 3 RMSD = 1.32 A TRANSFORM -0.3949 0.4481 -0.8020 0.2906 -0.7672 -0.5718 0.8716 0.4588 -0.1727 28.435 66.173 -55.306 A 81 ASP C 58 ASP.? A 99 GLY C 53 GLY.? A 125 ASN C 142 ASN.? ULMNm 3 1lio_c01 ADENOSINE KINASE user 4 3 RMSD = 1.32 A TRANSFORM -0.8290 -0.1516 -0.5383 -0.5061 0.6130 0.6067 -0.2380 -0.7754 0.5849 72.773 -5.119 67.221 A 316 ALA B 111 ALA~? A 317 GLY B 114 GLY~? A 318 ASP B 113 ASP~? ULMNm 3 2f61_c01 ACID BETA-GLUCOSIDASE user 3 3 RMSD = 1.33 A TRANSFORM -0.4453 0.5155 0.7320 -0.8951 -0.2378 -0.3771 0.0203 0.8232 -0.5674 55.213 154.019 -2.127 B 235 GLU C 6 GLU~? B 340 GLU C 85 GLU~? B 342 CYH C 83 CYH~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 7 3 RMSD = 1.33 A TRANSFORM 0.2849 0.7876 -0.5464 0.7907 0.1292 0.5985 -0.5419 0.6025 0.5859 6.668 -36.873 37.922 A 316 ALA C 111 ALA~? A 317 GLY C 114 GLY~? A 318 ASP C 113 ASP~? ULMNm 3 1emh_d00 HYDROLASE/DNA user 3 3 RMSD = 1.34 A TRANSFORM 0.3077 0.7487 0.5871 -0.9419 0.1522 0.2995 -0.1349 0.6452 -0.7520 -24.489 3.032 23.239 A 271 PRO A 43 PRO.? A 272 LEU A 70 LEU~? A 276 ARG A 69 ARG~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 1 3 RMSD = 1.35 A TRANSFORM 0.5529 -0.6579 -0.5114 -0.2965 -0.7288 0.6171 0.7787 0.1896 0.5980 38.068 25.866 3.075 A 316 ALA A 111 ALA~? A 317 GLY A 114 GLY~? A 318 ASP A 113 ASP~? ULMNm 3 1emh_d00 HYDROLASE/DNA user 9 3 RMSD = 1.36 A TRANSFORM -0.7907 -0.0820 0.6067 0.3383 -0.8845 0.3213 -0.5103 -0.4593 -0.7271 37.691 -12.632 67.926 A 271 PRO C 43 PRO.? A 272 LEU C 70 LEU~? A 276 ARG C 69 ARG~? ULMNm 3 1emh_d00 HYDROLASE/DNA user 6 3 RMSD = 1.37 A TRANSFORM 0.4729 -0.6461 0.5991 0.5720 0.7423 0.3490 0.6702 -0.1776 -0.7206 9.845 -68.558 17.274 A 271 PRO B 43 PRO.? A 272 LEU B 70 LEU~? A 276 ARG B 69 ARG~? ULMNm 3 1b57_c01 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 6 3 RMSD = 1.37 A TRANSFORM -0.2413 -0.3640 0.8996 0.1744 0.8956 0.4092 0.9546 -0.2557 0.1526 16.791 27.053 81.254 B 109 ASP C 117 ASP~? B 182 GLU C 121 GLU~? B 286 ASN B 25 ASN.? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 31 3 RMSD = 1.37 A TRANSFORM -0.8623 0.4610 -0.2098 0.5060 0.7660 -0.3964 0.0220 0.4480 0.8938 34.885 -7.163 -56.850 A 465 GLY C 97 GLY^? A 501 ASP A 113 ASP~? B 367 TYR B 65 TYR~? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 21 3 RMSD = 1.38 A TRANSFORM 0.0260 -0.9786 -0.2039 -0.9207 0.0560 -0.3863 -0.3895 -0.1978 0.8995 45.029 63.347 -23.755 A 465 GLY B 97 GLY^? A 501 ASP C 113 ASP~? B 367 TYR A 65 TYR~? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 32 3 RMSD = 1.39 A TRANSFORM -0.9328 -0.2878 0.2169 0.3530 -0.8510 0.3889 -0.0727 -0.4393 -0.8954 64.608 58.041 -7.233 D 465 GLY C 97 GLY^? D 501 ASP A 113 ASP~? E 367 TYR B 65 TYR~? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 10 3 RMSD = 1.39 A TRANSFORM 0.8330 0.5111 -0.2120 0.4110 -0.8280 -0.3813 0.3704 -0.2305 0.8998 -26.212 41.789 -49.604 A 465 GLY A 97 GLY^? A 501 ASP B 113 ASP~? B 367 TYR C 65 TYR~? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 22 3 RMSD = 1.40 A TRANSFORM 0.7157 -0.6651 0.2130 0.5675 0.7316 0.3779 0.4072 0.1496 -0.9010 17.539 5.051 -41.091 D 465 GLY B 97 GLY^? D 501 ASP C 113 ASP~? E 367 TYR A 65 TYR~? ULMNm 3 1b57_c00 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 3 3 RMSD = 1.40 A TRANSFORM -0.0502 0.5200 0.8527 -0.3207 -0.8169 0.4794 -0.9459 0.2494 -0.2077 -3.592 73.202 160.913 A 109 ASP C 117 ASP~? A 182 GLU C 121 GLU~? A 286 ASN B 25 ASN.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 9 3 RMSD = 1.40 A TRANSFORM -0.5009 0.0039 0.8655 -0.6372 0.6751 -0.3718 0.5857 0.7377 0.3357 -1.961 38.319 -53.723 141 ASP C 58 ASP.? 166 GLY C 114 GLY~? 169 GLU C 121 GLU~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 5 3 RMSD = 1.41 A TRANSFORM 0.2475 -0.4358 0.8653 -0.2698 -0.8888 -0.3704 -0.9306 0.1418 0.3376 -15.533 70.365 16.849 141 ASP B 58 ASP.? 166 GLY B 114 GLY~? 169 GLU B 121 GLU~? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 10 3 RMSD = 1.41 A TRANSFORM 0.2180 0.9544 0.2041 -0.9157 0.1277 0.3809 -0.3375 0.2699 -0.9018 -11.431 74.689 -18.300 D 465 GLY A 97 GLY^? D 501 ASP B 113 ASP~? E 367 TYR C 65 TYR~? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 15 3 RMSD = 1.42 A TRANSFORM -0.3991 -0.1164 0.9095 -0.5000 0.8591 -0.1095 0.7686 0.4984 0.4011 24.983 51.699 -102.542 D 465 GLY B 40 GLY.? D 501 ASP B 58 ASP.? E 367 TYR C 44 TYR^? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 15 3 RMSD = 1.42 A TRANSFORM 0.1758 -0.7176 0.6739 0.6103 -0.4576 -0.6466 -0.7724 -0.5250 -0.3575 10.449 29.411 36.739 A 465 GLY B 40 GLY.? A 501 ASP B 58 ASP.? B 367 TYR C 44 TYR^? ULMNm 3 1mrq_c02 ALDO-KETO REDUCTASE FAMILY 1 MEMBER user 1 3 RMSD = 1.43 A TRANSFORM 0.5479 -0.7146 -0.4350 0.6772 0.6841 -0.2708 -0.4911 0.1462 -0.8587 15.160 24.701 51.032 A 50 ASP A 117 ASP~? A 55 TYR A 65 TYR~? A 84 LYS A 110 LYS~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 RMSD = 1.44 A TRANSFORM 0.2421 0.4622 0.8531 0.8947 0.2338 -0.3805 0.3753 -0.8554 0.3570 -40.890 -2.612 -0.142 141 ASP A 58 ASP.? 166 GLY A 114 GLY~? 169 GLU A 121 GLU~? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 4 3 RMSD = 1.44 A TRANSFORM 0.2860 -0.2628 0.9215 -0.4872 -0.8680 -0.0963 -0.8251 0.4214 0.3763 4.742 100.875 -43.582 D 465 GLY A 40 GLY.? D 501 ASP A 58 ASP.? E 367 TYR B 44 TYR^? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 4 3 RMSD = 1.44 A TRANSFORM 0.5188 0.5310 0.6700 0.0982 0.7415 -0.6638 0.8492 -0.4102 -0.3326 -37.678 13.227 -24.304 A 465 GLY A 40 GLY.? A 501 ASP A 58 ASP.? B 367 TYR B 44 TYR^? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 25 3 RMSD = 1.45 A TRANSFORM -0.7193 0.2084 0.6627 -0.6916 -0.3044 -0.6550 -0.0652 0.9295 -0.3631 15.707 71.013 -30.086 A 465 GLY C 40 GLY.? A 501 ASP C 58 ASP.? B 367 TYR A 44 TYR^? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 27 3 RMSD = 1.45 A TRANSFORM 0.0850 0.4085 0.9088 0.9954 0.0049 -0.0953 0.0434 -0.9127 0.4062 -7.064 23.220 -36.315 D 465 GLY C 40 GLY.? D 501 ASP C 58 ASP.? E 367 TYR A 44 TYR^? ULMNm 3 3gxq_d00 DNA BINDING PROTEIN/DNA user 3 3 RMSD = 1.45 A TRANSFORM -0.8721 -0.1325 -0.4710 0.0905 -0.9897 0.1109 0.4808 -0.0541 -0.8751 45.089 23.071 -0.155 A 18 SER B 30 SER^? A 20 HIS C 129 HIS.? A 22 LEU C 120 LEU~? ULMNm 3 2f61_c00 ACID BETA-GLUCOSIDASE user 3 3 RMSD = 1.46 A TRANSFORM 0.3972 -0.3070 -0.8648 -0.9172 -0.1011 -0.3854 -0.0309 -0.9463 0.3218 1.228 91.781 8.563 A 235 GLU C 6 GLU~? A 340 GLU C 85 GLU~? A 342 CYH C 83 CYH~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 12 3 RMSD = 1.46 A TRANSFORM 0.9885 0.0239 0.1493 0.0245 -0.9997 -0.0024 -0.1492 -0.0060 0.9888 -51.373 31.158 -10.440 141 ASP C 117 ASP~? 166 GLY C 40 GLY.? 169 GLU A 96 GLU^? ULMNm 3 1wbf_p00 PROTEIN (AGGLUTININ) user 4 3 RMSD = 1.47 A TRANSFORM -0.2820 -0.0264 -0.9591 -0.9202 -0.2754 0.2781 0.2715 -0.9610 -0.0534 33.105 29.408 55.562 A 44 ASN B 136 ASN.? A 213 PRO B 137 PRO.? A 219 ASN B 142 ASN.? ULMNm 3 3gxq_d00 DNA BINDING PROTEIN/DNA user 1 3 RMSD = 1.47 A TRANSFORM 0.5596 -0.6831 -0.4694 0.8046 0.5836 0.1099 -0.1988 0.4391 -0.8761 10.304 -47.671 9.454 A 18 SER A 30 SER^? A 20 HIS B 129 HIS.? A 22 LEU B 120 LEU~? ULMNm 3 3gxq_d00 DNA BINDING PROTEIN/DNA user 5 3 RMSD = 1.47 A TRANSFORM 0.3037 0.8237 -0.4789 -0.9111 0.3980 0.1069 -0.2786 -0.4039 -0.8713 -23.884 18.210 36.558 A 18 SER C 30 SER^? A 20 HIS A 129 HIS.? A 22 LEU A 120 LEU~? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.48 A TRANSFORM -0.4392 -0.8445 0.3066 0.6829 -0.0921 0.7246 0.5837 -0.5276 -0.6172 147.921 85.874 155.379 B 141 GLY B 84 GLY~? B 144 GLU B 85 GLU~? B 164 GLU B 6 GLU~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 3 3 RMSD = 1.48 A TRANSFORM -0.4738 -0.8670 0.1541 -0.8799 0.4733 -0.0421 0.0364 0.1556 0.9871 25.817 21.373 -21.736 141 ASP A 117 ASP~? 166 GLY A 40 GLY.? 169 GLU B 96 GLU^? ULMNm 3 8pch_c00 CATHEPSIN H user 3 3 RMSD = 1.48 A TRANSFORM -0.3117 0.1642 0.9359 0.9058 0.3487 0.2405 0.2869 -0.9227 0.2574 -8.382 -51.209 27.833 A 25 CYH C 105 CYH.? A 159 HIS C 108 HIS~? A 175 ASN B 142 ASN.? ULMNm 3 4dqk_o00 BIFUNCTIONAL P-450/NADPH-P450 REDUCTuser 15 3 RMSD = 1.49 A TRANSFORM -0.0332 0.9525 -0.3027 -0.5874 0.2264 0.7770 -0.8086 -0.2036 -0.5520 70.626 44.201 72.991 A 966 SER C 39 SER.? A 967 ARG A 131 ARG^? A 975 TYR C 148 TYR^? ULMNm 3 4dqk_o00 BIFUNCTIONAL P-450/NADPH-P450 REDUCTuser 9 3 RMSD = 1.49 A TRANSFORM -0.8181 -0.4977 -0.2881 0.0895 -0.6051 0.7911 0.5681 -0.6214 -0.5395 139.932 44.104 36.398 A 966 SER B 39 SER.? A 967 ARG C 131 ARG^? A 975 TYR B 148 TYR^?