*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 2phk_c03 MC-PEPTIDE user 3 3 RMSD = 0.50 A TRANSFORM -0.6877 -0.5512 -0.4725 0.1621 -0.7510 0.6401 -0.7077 0.3636 0.6058 75.445 45.248 31.450 A 149 ASP A 38 ASP~? A 151 LYS A 41 LYS~? A 154 ASN A 42 ASN~? ULMNm 3 2phk_c03 MC-PEPTIDE user 14 3 RMSD = 0.54 A TRANSFORM -0.7052 -0.2426 -0.6662 0.0882 0.9023 -0.4220 0.7035 -0.3563 -0.6149 63.157 -19.970 6.519 A 149 ASP D 38 ASP~? A 151 LYS D 41 LYS~? A 154 ASN D 42 ASN~? ULMNm 3 1stc_c03 CAMP-DEPENDENT PROTEIN KINASE user 10 3 RMSD = 0.71 A TRANSFORM 0.1322 -0.4603 0.8779 -0.8107 -0.5598 -0.1714 0.5703 -0.6890 -0.4471 32.807 63.538 2.577 E 166 ASP D 38 ASP~? E 168 LYS D 41 LYS~? E 171 ASN D 42 ASN~? ULMNm 3 1stc_c03 CAMP-DEPENDENT PROTEIN KINASE user 5 3 RMSD = 0.73 A TRANSFORM -0.8829 -0.0950 0.4598 0.4274 0.2426 0.8709 -0.1943 0.9655 -0.1736 40.047 19.083 -30.516 E 166 ASP B 38 ASP~? E 168 LYS B 41 LYS~? E 171 ASN B 42 ASN~? ULMNm 3 2phk_c03 MC-PEPTIDE user 7 3 RMSD = 0.77 A TRANSFORM 0.8320 0.3157 0.4561 0.5536 -0.4198 -0.7193 -0.0356 0.8509 -0.5241 20.789 9.580 -14.381 A 149 ASP B 38 ASP~? A 151 LYS B 41 LYS~? A 154 ASN B 42 ASN~? ULMNm 3 2phk_c03 MC-PEPTIDE user 11 3 RMSD = 0.77 A TRANSFORM 0.5021 0.5285 0.6846 -0.8647 0.2921 0.4086 0.0160 -0.7971 0.6036 25.067 35.380 52.634 A 149 ASP C 38 ASP~? A 151 LYS C 41 LYS~? A 154 ASN C 42 ASN~? ULMNm 3 1stc_c03 CAMP-DEPENDENT PROTEIN KINASE user 2 3 RMSD = 0.93 A TRANSFORM 0.4551 0.7908 -0.4093 -0.4654 -0.1806 -0.8665 -0.7591 0.5848 0.2858 -31.585 34.586 1.506 E 166 ASP A 38 ASP~? E 168 LYS A 41 LYS~? E 171 ASN A 42 ASN~? ULMNm 3 1stc_c03 CAMP-DEPENDENT PROTEIN KINASE user 8 3 RMSD = 0.96 A TRANSFORM 0.4016 -0.2916 -0.8681 0.8353 0.5053 0.2167 0.3755 -0.8122 0.4465 -2.159 -7.766 21.534 E 166 ASP C 38 ASP~? E 168 LYS C 41 LYS~? E 171 ASN C 42 ASN~? ULMNm 3 1pym_c00 PHOSPHOENOLPYRUVATE MUTASE user 6 3 RMSD = 1.14 A TRANSFORM -0.3825 -0.9144 -0.1323 -0.4357 0.3048 -0.8469 0.8148 -0.2663 -0.5150 58.377 65.357 60.298 A 48 LEU C 62 LEU~? A 58 ASP C 63 ASP~? A 120 LYS D 90 LYS.? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 18 3 RMSD = 1.15 A TRANSFORM -0.7521 0.4509 0.4807 0.6045 0.1813 0.7757 0.2626 0.8740 -0.4089 36.743 11.921 -36.907 A 229 ALA A 56 ALA~? A 257 ALA A 58 ALA~? A 328 ASP A 63 ASP~? ULMNm 3 1ehy_c02 SOLUBLE EPOXIDE HYDROLASE user 2 3 RMSD = 1.16 A TRANSFORM 0.5791 -0.3215 0.7492 0.3985 0.9133 0.0838 -0.7112 0.2500 0.6570 30.128 -13.240 102.897 C 107 ASP B 26 ASP.? C 246 ASP D 11 ASP~? C 275 HIS B 74 HIS~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 2 3 RMSD = 1.18 A TRANSFORM -0.1755 -0.7537 -0.6333 0.8938 -0.3917 0.2185 -0.4127 -0.5277 0.7424 82.911 28.188 31.440 A 229 ALA A 35 ALA~? A 257 ALA A 36 ALA~? A 328 ASP A 68 ASP.? ULMNm 3 1zrz_c03 PROTEIN KINASE C, IOTA user 10 3 RMSD = 1.18 A TRANSFORM -0.1625 0.3971 0.9033 -0.1407 0.8968 -0.4195 -0.9766 -0.1953 -0.0898 15.196 3.562 63.122 A 369 ASP D 38 ASP~? A 371 LYS D 41 LYS~? A 374 ASN D 42 ASN~? ULMNm 3 2phk_c03 MC-PEPTIDE user 9 3 RMSD = 1.19 A TRANSFORM -0.2892 -0.8068 0.5153 0.9389 -0.1340 0.3171 -0.1867 0.5754 0.7962 69.196 -8.896 28.282 A 149 ASP C 11 ASP~? A 151 LYS C 14 LYS~? A 154 ASN C 15 ASN~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 43 3 RMSD = 1.19 A TRANSFORM -0.1126 0.9158 -0.3855 -0.5252 -0.3842 -0.7593 -0.8435 0.1170 0.5242 -4.714 40.782 26.308 A 229 ALA B 56 ALA~? A 257 ALA B 58 ALA~? A 328 ASP B 63 ASP~? ULMNm 3 1ehy_c02 SOLUBLE EPOXIDE HYDROLASE user 4 3 RMSD = 1.20 A TRANSFORM -0.9961 0.0418 -0.0772 0.0424 -0.5407 -0.8401 -0.0769 -0.8402 0.5369 45.399 31.550 123.198 C 107 ASP D 26 ASP.? C 246 ASP B 11 ASP~? C 275 HIS D 74 HIS~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 93 3 RMSD = 1.20 A TRANSFORM 0.6688 -0.4872 -0.5615 0.7317 0.5650 0.3813 0.1314 -0.6659 0.7344 20.672 -7.397 31.015 A 229 ALA D 56 ALA~? A 257 ALA D 58 ALA~? A 328 ASP D 63 ASP~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 68 3 RMSD = 1.20 A TRANSFORM 0.1753 -0.8820 0.4375 -0.8795 -0.3400 -0.3329 0.4424 -0.3265 -0.8353 57.505 54.058 -6.206 A 229 ALA C 56 ALA~? A 257 ALA C 58 ALA~? A 328 ASP C 63 ASP~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 1 3 RMSD = 1.22 A TRANSFORM 0.7095 0.7037 -0.0390 0.2061 -0.1543 0.9663 0.6739 -0.6936 -0.2545 22.150 17.362 32.992 A 67 ASP A 11 ASP~? A 68 ALA A 10 ALA~? A 72 LEU A 13 LEU~? ULMNm 3 1pym_c01 PHOSPHOENOLPYRUVATE MUTASE user 5 3 RMSD = 1.23 A TRANSFORM 0.9007 0.0148 -0.4343 0.4213 -0.2741 0.8645 -0.1063 -0.9616 -0.2531 33.058 108.119 77.512 B 48 LEU C 62 LEU~? B 58 ASP C 63 ASP~? B 120 LYS D 90 LYS.? ULMNm 3 1js4_c01 ENDO-EXOCELLULASE E4 user 3 3 RMSD = 1.23 A TRANSFORM -0.7929 0.6092 -0.0154 0.4940 0.6278 -0.6015 -0.3567 -0.4845 -0.7987 99.402 16.446 27.222 B 55 ASP B 63 ASP~? B 58 ASP B 64 ASP~? B 424 GLU A 50 GLU~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 75 3 RMSD = 1.23 A TRANSFORM -0.9596 0.0861 -0.2680 -0.0769 0.8357 0.5437 0.2708 0.5423 -0.7953 78.482 16.365 -37.113 A 229 ALA D 35 ALA~? A 257 ALA D 36 ALA~? A 328 ASP D 68 ASP.? ULMNm 3 1zrz_c03 PROTEIN KINASE C, IOTA user 2 3 RMSD = 1.24 A TRANSFORM 0.9779 0.0600 -0.2003 0.1464 -0.8803 0.4512 -0.1493 -0.4705 -0.8697 -15.069 65.227 43.828 A 369 ASP A 38 ASP~? A 371 LYS A 41 LYS~? A 374 ASN A 42 ASN~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 50 3 RMSD = 1.24 A TRANSFORM 0.3319 0.8587 0.3904 -0.7519 0.4908 -0.4403 -0.5697 -0.1474 0.8085 28.090 33.008 24.282 A 229 ALA C 35 ALA~? A 257 ALA C 36 ALA~? A 328 ASP C 68 ASP.? ULMNm 3 1r4f_c00 IAG-NUCLEOSIDE HYDROLASE user 5 3 RMSD = 1.27 A TRANSFORM 0.4402 0.7742 0.4548 0.0011 0.5060 -0.8625 -0.8979 0.3802 0.2219 3.109 16.642 20.509 A 10 ASP C 68 ASP.? A 186 ASN C 32 ASN~? A 260 ALA C 37 ALA~? ULMNm 3 1r4f_c00 IAG-NUCLEOSIDE HYDROLASE user 4 3 RMSD = 1.28 A TRANSFORM 0.8131 -0.0977 0.5738 -0.4310 -0.7636 0.4807 0.3912 -0.6382 -0.6630 25.254 84.653 11.353 A 10 ASP B 68 ASP.? A 186 ASN B 32 ASN~? A 260 ALA B 37 ALA~? ULMNm 3 1ehy_c02 SOLUBLE EPOXIDE HYDROLASE user 3 3 RMSD = 1.28 A TRANSFORM 0.4837 0.8748 0.0269 0.6094 -0.3587 0.7071 0.6282 -0.3256 -0.7066 -15.252 31.452 71.792 C 107 ASP C 26 ASP.? C 246 ASP A 11 ASP~? C 275 HIS C 74 HIS~? ULMNm 3 1r4f_c00 IAG-NUCLEOSIDE HYDROLASE user 7 3 RMSD = 1.30 A TRANSFORM -0.9136 0.0183 -0.4063 -0.3964 0.1832 0.8996 0.0910 0.9829 -0.1601 51.349 57.975 -29.986 A 10 ASP D 68 ASP.? A 186 ASN D 32 ASN~? A 260 ALA D 37 ALA~? ULMNm 3 1js4_c00 ENDO-EXOCELLULASE E4 user 3 3 RMSD = 1.30 A TRANSFORM 0.7765 0.4666 -0.4235 0.6241 -0.4774 0.6185 0.0864 -0.7446 -0.6619 19.430 70.725 34.587 A 55 ASP B 63 ASP~? A 58 ASP B 64 ASP~? A 424 GLU A 50 GLU~? ULMNm 3 1ir3_c02 INSULIN RECEPTOR user 11 3 RMSD = 1.30 A TRANSFORM 0.1706 0.9404 -0.2940 -0.1579 -0.2685 -0.9503 -0.9726 0.2085 0.1027 -39.948 39.971 38.033 A1132 ASP C 38 ASP~? A1134 ALA C 40 ALA~? A1137 ASN C 42 ASN~? ULMNm 3 1r4f_c00 IAG-NUCLEOSIDE HYDROLASE user 2 3 RMSD = 1.31 A TRANSFORM -0.2932 -0.6721 -0.6799 0.8565 0.1313 -0.4991 0.4247 -0.7287 0.5372 57.231 11.742 27.858 A 10 ASP A 68 ASP.? A 186 ASN A 32 ASN~? A 260 ALA A 37 ALA~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 38 3 RMSD = 1.31 A TRANSFORM -0.2540 0.7272 -0.6377 -0.9584 -0.2777 0.0651 -0.1298 0.6277 0.7675 -5.358 57.677 -1.634 A 229 ALA B 40 ALA~? A 257 ALA B 36 ALA~? A 328 ASP B 64 ASP~? ULMNm 3 1ir3_c02 INSULIN RECEPTOR user 4 3 RMSD = 1.31 A TRANSFORM 0.4541 -0.4805 -0.7502 0.7482 0.6628 0.0283 0.4837 -0.5742 0.6606 -4.750 -2.033 33.798 A1132 ASP A 38 ASP~? A1134 ALA A 40 ALA~? A1137 ASN A 42 ASN~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 88 3 RMSD = 1.32 A TRANSFORM 0.8747 -0.2803 -0.3954 0.3717 -0.1354 0.9184 -0.3110 -0.9503 -0.0142 3.417 31.415 46.246 A 229 ALA D 40 ALA~? A 257 ALA D 36 ALA~? A 328 ASP D 64 ASP~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 63 3 RMSD = 1.32 A TRANSFORM -0.1203 -0.9462 0.3004 -0.1287 -0.2852 -0.9498 0.9844 -0.1529 -0.0875 58.133 26.798 -13.361 A 229 ALA C 40 ALA~? A 257 ALA C 36 ALA~? A 328 ASP C 64 ASP~? ULMNm 3 1ir3_c02 INSULIN RECEPTOR user 14 3 RMSD = 1.33 A TRANSFORM -0.9130 0.2162 0.3460 0.3435 -0.0499 0.9378 0.2200 0.9751 -0.0287 18.111 43.415 -18.481 A1132 ASP D 38 ASP~? A1134 ALA D 40 ALA~? A1137 ASN D 42 ASN~? ULMNm 3 2odj_o00 PORIN D user 2 3 RMSD = 1.33 A TRANSFORM 0.7216 0.5238 0.4528 0.6849 -0.6357 -0.3561 0.1013 0.5671 -0.8174 -21.497 29.270 16.278 A 156 HIS A 74 HIS~? A 208 ASP C 11 ASP~? A 296 SER A 55 SER~? ULMNm 3 1stc_c03 CAMP-DEPENDENT PROTEIN KINASE user 1 3 RMSD = 1.33 A TRANSFORM 0.9862 -0.0603 -0.1540 0.1640 0.2383 0.9572 -0.0210 -0.9693 0.2449 -0.224 15.736 51.710 E 166 ASP A 11 ASP~? E 168 LYS A 14 LYS~? E 171 ASN A 15 ASN~? ULMNm 3 1f6d_c02 UDP-N-ACETYLGLUCOSAMINE 2-EPIMERASE user 1 3 RMSD = 1.33 A TRANSFORM 0.4446 0.7813 0.4380 -0.7486 0.5926 -0.2974 -0.4919 -0.1957 0.8484 19.993 45.811 90.658 C 95 ASP A 64 ASP~? C 117 GLU B 50 GLU~? C 131 GLU A 67 GLU.? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 9 3 RMSD = 1.35 A TRANSFORM 0.6647 0.7065 -0.2430 0.6502 -0.3867 0.6540 0.3681 -0.5927 -0.7164 -24.863 48.695 37.830 A 194 SER B 18 SER~? A 292 ASP B 68 ASP.? A 322 HIS D 74 HIS~? ULMNm 3 1b57_c01 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 23 3 RMSD = 1.35 A TRANSFORM -0.2960 -0.6869 -0.6638 0.9382 -0.0786 -0.3370 0.1793 -0.7225 0.6677 41.833 20.900 158.318 B 109 ASP D 68 ASP.? B 182 GLU D 67 GLU.? B 286 ASN D 70 ASN.? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 13 3 RMSD = 1.35 A TRANSFORM -0.5226 0.4480 0.7254 0.6748 0.7374 0.0307 -0.5212 0.5055 -0.6876 26.394 -16.917 -4.608 A 229 ALA A 40 ALA~? A 257 ALA A 36 ALA~? A 328 ASP A 64 ASP~? ULMNm 3 1js4_c01 ENDO-EXOCELLULASE E4 user 1 3 RMSD = 1.35 A TRANSFORM -0.3088 0.9436 0.1197 -0.5341 -0.2761 0.7991 0.7870 0.1828 0.5892 78.407 86.574 -6.759 B 55 ASP A 63 ASP~? B 58 ASP A 64 ASP~? B 424 GLU B 50 GLU~? ULMNm 3 1zrz_c03 PROTEIN KINASE C, IOTA user 5 3 RMSD = 1.35 A TRANSFORM -0.4450 -0.8754 0.1887 0.6941 -0.4703 -0.5450 0.5658 -0.1116 0.8169 56.050 27.162 33.136 A 369 ASP B 38 ASP~? A 371 LYS B 41 LYS~? A 374 ASN B 42 ASN~? ULMNm 3 1stc_c03 CAMP-DEPENDENT PROTEIN KINASE user 7 3 RMSD = 1.36 A TRANSFORM -0.5306 0.3971 -0.7488 -0.6586 -0.7493 0.0694 -0.5335 0.5300 0.6592 15.145 56.951 18.240 E 166 ASP C 11 ASP~? E 168 LYS C 14 LYS~? E 171 ASN C 15 ASN~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 25 3 RMSD = 1.36 A TRANSFORM 0.7878 -0.2455 0.5649 -0.1023 -0.9566 -0.2730 0.6074 0.1573 -0.7787 56.694 66.231 -32.774 A 229 ALA B 35 ALA~? A 257 ALA B 36 ALA~? A 328 ASP B 68 ASP.? ULMNm 3 1ir3_c02 INSULIN RECEPTOR user 8 3 RMSD = 1.36 A TRANSFORM 0.3559 -0.6627 0.6589 -0.9130 -0.3969 0.0939 0.1993 -0.6350 -0.7463 20.005 75.895 26.809 A1132 ASP B 38 ASP~? A1134 ALA B 40 ALA~? A1137 ASN B 42 ASN~? ULMNm 3 1vq1_c00 N5-GLUTAMINE METHYLTRANSFERASE, HEMKuser 2 3 RMSD = 1.37 A TRANSFORM -0.4601 -0.4377 -0.7725 0.8387 0.0713 -0.5399 0.2914 -0.8963 0.3342 35.667 -56.411 60.202 A 100 PHE B 2 PHE.? A 197 ASN D 70 ASN.? A 198 PRO D 69 PRO.? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 15 3 RMSD = 1.37 A TRANSFORM -0.0423 -0.9975 0.0574 0.8987 -0.0631 -0.4341 0.4366 0.0332 0.8990 65.671 1.917 55.156 A 194 SER D 8 SER~? A 292 ASP B 64 ASP~? A 322 HIS D 45 HIS.? ULMNm 3 1ir3_c02 INSULIN RECEPTOR user 7 3 RMSD = 1.37 A TRANSFORM 0.1429 -0.4037 0.9036 0.0471 -0.9092 -0.4137 0.9886 0.1017 -0.1109 16.848 70.071 -10.990 A1132 ASP B 38 ASP~? A1134 ALA B 40 ALA~? A1137 ASN B 39 ASN~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 7 3 RMSD = 1.38 A TRANSFORM 0.2548 -0.1413 0.9566 0.6435 0.7632 -0.0586 -0.7218 0.6305 0.2854 74.110 -32.322 28.243 A 67 ASP D 11 ASP~? A 68 ALA D 10 ALA~? A 72 LEU D 13 LEU~? ULMNm 3 1b57_c00 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 20 3 RMSD = 1.38 A TRANSFORM 0.5730 -0.4300 -0.6977 -0.7972 -0.4898 -0.3528 -0.1901 0.7584 -0.6235 2.210 95.132 82.908 A 109 ASP D 68 ASP.? A 182 GLU D 67 GLU.? A 286 ASN D 70 ASN.? ULMNm 3 1r4f_c00 IAG-NUCLEOSIDE HYDROLASE user 3 3 RMSD = 1.38 A TRANSFORM 0.0001 -0.9772 0.2123 -0.5477 -0.1777 -0.8176 0.8367 -0.1162 -0.5352 71.068 29.919 -14.143 A 10 ASP B 38 ASP~? A 186 ASN B 42 ASN~? A 260 ALA B 58 ALA~? ULMNm 3 1r4f_c00 IAG-NUCLEOSIDE HYDROLASE user 6 3 RMSD = 1.38 A TRANSFORM -0.5023 0.5972 0.6253 0.8541 0.4556 0.2510 -0.1350 0.6601 -0.7389 36.159 -12.053 -18.615 A 10 ASP D 38 ASP~? A 186 ASN D 42 ASN~? A 260 ALA D 58 ALA~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 3 3 RMSD = 1.39 A TRANSFORM 0.8854 0.0715 -0.4592 -0.4506 -0.1100 -0.8859 -0.1139 0.9913 -0.0652 -46.932 7.417 -32.965 141 ASP D 26 ASP.? 166 GLY B 81 GLY~? 169 GLU B 87 GLU~? ULMNm 3 1vq1_c01 N5-GLUTAMINE METHYLTRANSFERASE, HEMKuser 2 3 RMSD = 1.39 A TRANSFORM -0.1875 -0.8964 -0.4017 -0.8394 -0.0662 0.5395 -0.5102 0.4383 -0.7399 59.486 39.563 -6.659 B 100 PHE B 2 PHE.? B 197 ASN D 70 ASN.? B 198 PRO D 69 PRO.? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 3 3 RMSD = 1.39 A TRANSFORM -0.9146 -0.3785 0.1422 -0.0253 -0.2974 -0.9544 0.4035 -0.8765 0.2624 100.545 7.819 50.512 A 67 ASP B 11 ASP~? A 68 ALA B 10 ALA~? A 72 LEU B 13 LEU~? ULMNm 3 1js4_c00 ENDO-EXOCELLULASE E4 user 1 3 RMSD = 1.39 A TRANSFORM -0.5227 -0.6013 0.6043 0.0648 -0.7349 -0.6751 0.8500 -0.3137 0.4231 97.417 78.083 14.013 A 55 ASP A 63 ASP~? A 58 ASP A 64 ASP~? A 424 GLU B 50 GLU~? ULMNm 3 2odj_o00 PORIN D user 7 3 RMSD = 1.39 A TRANSFORM 0.4173 0.2815 0.8641 -0.7143 0.6894 0.1204 -0.5618 -0.6674 0.4888 2.702 24.271 89.774 A 156 HIS D 74 HIS~? A 208 ASP B 11 ASP~? A 296 SER D 55 SER~? ULMNm 3 1ddj_c13 PLASMINOGEN user 1 3 RMSD = 1.39 A TRANSFORM -0.8565 0.3086 -0.4138 0.3854 -0.1512 -0.9103 -0.3434 -0.9391 0.0106 -17.373 47.229 13.538 B 603 HIS A 74 HIS~? B 646 ASP A 26 ASP.? B 739 GLY A 81 GLY~? ULMNm 3 1b57_c01 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 19 3 RMSD = 1.40 A TRANSFORM 0.8343 -0.0894 0.5441 -0.2834 -0.9160 0.2841 0.4730 -0.3912 -0.7895 9.223 86.646 122.379 B 109 ASP C 68 ASP.? B 182 GLU C 67 GLU.? B 286 ASN C 70 ASN.? ULMNm 3 1b57_c00 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 9 3 RMSD = 1.41 A TRANSFORM -0.9661 0.2451 -0.0811 -0.1188 -0.7009 -0.7033 -0.2292 -0.6698 0.7063 29.812 64.579 169.306 A 109 ASP B 38 ASP~? A 182 GLU B 21 GLU~? A 286 ASN B 42 ASN~? ULMNm 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 13 3 RMSD = 1.43 A TRANSFORM 0.7740 -0.3217 0.5453 -0.6221 -0.2264 0.7495 -0.1177 -0.9194 -0.3754 42.600 112.256 39.133 B 194 SER D 8 SER~? B 292 ASP B 64 ASP~? B 322 HIS D 45 HIS.? ULMNm 3 1r4f_c00 IAG-NUCLEOSIDE HYDROLASE user 1 3 RMSD = 1.43 A TRANSFORM 0.8765 -0.3890 -0.2836 0.4000 0.2605 0.8787 -0.2680 -0.8836 0.3839 23.789 11.365 49.601 A 10 ASP A 38 ASP~? A 186 ASN A 42 ASN~? A 260 ALA A 58 ALA~? ULMNm 3 1zrz_c03 PROTEIN KINASE C, IOTA user 8 3 RMSD = 1.43 A TRANSFORM -0.3056 0.3556 -0.8833 -0.7442 0.4895 0.4545 0.5939 0.7962 0.1150 -1.552 43.484 -5.707 A 369 ASP C 38 ASP~? A 371 LYS C 41 LYS~? A 374 ASN C 42 ASN~? ULMNm 3 1ehy_c01 SOLUBLE EPOXIDE HYDROLASE user 1 3 RMSD = 1.44 A TRANSFORM -0.1182 -0.7330 -0.6699 -0.9078 0.3532 -0.2263 0.4025 0.5814 -0.7071 46.399 54.622 19.190 B 107 ASP B 26 ASP.? B 246 ASP D 11 ASP~? B 275 HIS B 74 HIS~? ULMNm 3 1b57_c00 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 16 3 RMSD = 1.44 A TRANSFORM 0.2379 -0.7713 0.5904 0.8292 0.4778 0.2901 -0.5058 0.4205 0.7532 37.911 30.882 118.616 A 109 ASP C 68 ASP.? A 182 GLU C 67 GLU.? A 286 ASN C 70 ASN.? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 5 3 RMSD = 1.45 A TRANSFORM 0.0106 -0.1334 -0.9910 -0.9500 -0.3108 0.0316 -0.3122 0.9411 -0.1300 57.559 44.230 2.858 A 67 ASP C 11 ASP~? A 68 ALA C 10 ALA~? A 72 LEU C 13 LEU~? ULMNm 3 1ir3_c02 INSULIN RECEPTOR user 13 3 RMSD = 1.45 A TRANSFORM -0.8829 -0.2054 0.4223 -0.0500 0.9353 0.3503 -0.4669 0.2882 -0.8360 29.311 20.724 9.786 A1132 ASP D 38 ASP~? A1134 ALA D 40 ALA~? A1137 ASN D 39 ASN~? ULMNm 3 2odj_o00 PORIN D user 4 3 RMSD = 1.45 A TRANSFORM -0.7943 -0.5676 -0.2167 0.5429 -0.8232 0.1664 -0.2728 0.0145 0.9620 47.506 44.329 66.039 A 156 HIS B 74 HIS~? A 208 ASP D 11 ASP~? A 296 SER B 55 SER~? ULMNm 3 2odj_o00 PORIN D user 5 3 RMSD = 1.46 A TRANSFORM -0.5088 -0.1749 -0.8429 -0.3149 0.9491 -0.0068 0.8012 0.2620 -0.5380 20.277 4.555 13.356 A 156 HIS C 74 HIS~? A 208 ASP A 11 ASP~? A 296 SER C 55 SER~? ULMNm 3 1stc_c03 CAMP-DEPENDENT PROTEIN KINASE user 4 3 RMSD = 1.46 A TRANSFORM -0.3830 -0.9216 0.0639 -0.3393 0.0760 -0.9376 0.8592 -0.3807 -0.3418 64.590 10.511 3.703 E 166 ASP B 11 ASP~? E 168 LYS B 14 LYS~? E 171 ASN B 15 ASN~? ULMNm 3 1js4_c01 ENDO-EXOCELLULASE E4 user 11 3 RMSD = 1.46 A TRANSFORM 0.7507 -0.6392 0.1670 0.3768 0.2066 -0.9029 0.5427 0.7407 0.3960 104.404 30.457 -19.426 B 55 ASP D 63 ASP~? B 58 ASP D 64 ASP~? B 424 GLU C 50 GLU~? ULMNm 3 1pyi_d00 PROTEIN (PYRIMIDINE PATHWAY REGULATOuser 7 3 RMSD = 1.47 A TRANSFORM 0.9514 0.1398 0.2744 0.2546 -0.8582 -0.4458 0.1731 0.4940 -0.8521 12.928 69.123 81.830 A 40 LYS D 12 LYS~? A 41 LYS D 14 LYS~? A 42 ILE D 16 ILE~? ULMNm 3 1b57_c01 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 10 3 RMSD = 1.47 A TRANSFORM -0.6541 -0.3832 -0.6521 -0.7011 0.6307 0.3326 0.2839 0.6748 -0.6812 28.838 58.804 71.305 B 109 ASP B 38 ASP~? B 182 GLU B 21 GLU~? B 286 ASN B 42 ASN~? ULMNm 3 1ehy_c01 SOLUBLE EPOXIDE HYDROLASE user 2 3 RMSD = 1.47 A TRANSFORM 0.3385 0.8613 0.3789 0.7636 -0.4868 0.4242 0.5498 0.1458 -0.8225 -4.449 50.972 28.010 B 107 ASP D 26 ASP.? B 246 ASP B 11 ASP~? B 275 HIS D 74 HIS~? ULMNm 3 2phk_c03 MC-PEPTIDE user 1 3 RMSD = 1.47 A TRANSFORM -0.4154 0.1778 0.8921 -0.8481 0.2790 -0.4505 -0.3290 -0.9437 0.0349 45.369 11.533 73.955 A 149 ASP A 11 ASP~? A 151 LYS A 14 LYS~? A 154 ASN A 15 ASN~? ULMNm 3 1ir3_c02 INSULIN RECEPTOR user 10 3 RMSD = 1.47 A TRANSFORM 0.5406 0.7326 -0.4136 -0.8402 0.4956 -0.2203 0.0436 0.4665 0.8834 -46.805 48.201 11.927 A1132 ASP C 38 ASP~? A1134 ALA C 40 ALA~? A1137 ASN C 39 ASN~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 10 3 RMSD = 1.47 A TRANSFORM -0.0967 -0.2875 0.9529 -0.9812 0.1882 -0.0428 -0.1671 -0.9391 -0.3003 41.596 25.001 175.655 C 70 ALA D 37 ALA~? C 126 LEU D 20 LEU~? C 158 GLU D 21 GLU~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 RMSD = 1.47 A TRANSFORM -0.3866 0.2048 0.8992 -0.7469 -0.6415 -0.1750 0.5410 -0.7393 0.4010 -4.979 41.340 13.983 141 ASP A 26 ASP.? 166 GLY C 81 GLY~? 169 GLU C 87 GLU~? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.47 A TRANSFORM -0.1355 -0.8216 0.5538 0.6089 -0.5100 -0.6076 0.7816 0.2549 0.5694 85.454 74.889 130.300 F 141 GLY A 81 GLY~? F 144 GLU C 85 GLU~? F 164 GLU A 85 GLU~? ULMNm 3 1b57_c01 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 14 3 RMSD = 1.48 A TRANSFORM 0.3897 0.7701 0.5050 -0.3558 0.6317 -0.6888 -0.8495 0.0887 0.5201 -7.618 25.336 156.049 B 109 ASP B 68 ASP.? B 182 GLU B 67 GLU~? B 286 ASN B 70 ASN.? ULMNm 3 1ir3_c02 INSULIN RECEPTOR user 3 3 RMSD = 1.48 A TRANSFORM 0.2984 -0.1523 -0.9422 0.7988 -0.5004 0.3339 -0.5223 -0.8523 -0.0276 -16.751 46.157 59.473 A1132 ASP A 38 ASP~? A1134 ALA A 40 ALA~? A1137 ASN A 39 ASN~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 2 3 RMSD = 1.48 A TRANSFORM -0.4287 -0.8133 0.3933 0.2672 0.3017 0.9152 -0.8630 0.4975 0.0880 24.574 -3.594 4.731 141 ASP C 26 ASP.? 166 GLY A 81 GLY~? 169 GLU A 87 GLU~? ULMNm 3 1mas_c01 INOSINE-URIDINE NUCLEOSIDE N-RIBOHYDuser 1 3 RMSD = 1.48 A TRANSFORM -0.8654 0.3510 -0.3575 -0.4607 -0.2771 0.8432 0.1969 0.8944 0.4015 -7.400 38.358 6.096 B 10 ASP B 11 ASP~? B 168 ASN B 15 ASN~? B 241 HIS D 74 HIS~? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 4 3 RMSD = 1.48 A TRANSFORM 0.0037 0.7519 -0.6592 -0.7993 0.3984 0.4499 0.6010 0.5252 0.6025 15.583 91.644 127.114 F 141 GLY D 81 GLY~? F 144 GLU B 85 GLU~? F 164 GLU D 85 GLU~? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.48 A TRANSFORM 0.7799 -0.4685 0.4152 -0.4091 0.1206 0.9045 -0.4738 -0.8752 -0.0976 54.592 108.304 173.517 C 141 GLY A 81 GLY~? C 144 GLU C 85 GLU~? C 164 GLU A 85 GLU~? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.49 A TRANSFORM 0.3914 0.7303 0.5599 0.8226 -0.0051 -0.5685 -0.4124 0.6831 -0.6027 58.309 64.794 157.942 E 141 GLY A 81 GLY~? E 144 GLU C 85 GLU~? E 164 GLU A 85 GLU~? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.49 A TRANSFORM -0.8511 0.2883 -0.4387 0.4323 -0.0892 -0.8973 -0.2978 -0.9534 -0.0487 95.084 75.446 169.292 D 141 GLY A 81 GLY~? D 144 GLU C 85 GLU~? D 164 GLU A 85 GLU~? ULMNm 3 1mas_c00 INOSINE-URIDINE NUCLEOSIDE N-RIBOHYDuser 1 3 RMSD = 1.49 A TRANSFORM -0.0901 -0.3417 0.9355 -0.9823 0.1854 -0.0269 -0.1643 -0.9213 -0.3524 35.964 9.197 54.237 A 10 ASP B 11 ASP~? A 168 ASN B 15 ASN~? A 241 HIS D 74 HIS~? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 4 3 RMSD = 1.49 A TRANSFORM 0.4221 -0.8366 0.3491 -0.0413 0.3669 0.9293 -0.9056 -0.4067 0.1203 54.671 24.820 73.394 A 194 SER A 84 SER~? A 292 ASP B 63 ASP~? A 322 HIS A 74 HIS~? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.49 A TRANSFORM 0.7451 -0.1923 -0.6387 0.2364 -0.8193 0.5224 -0.6237 -0.5402 -0.5649 29.226 107.858 178.299 F 141 GLY B 81 GLY~? F 144 GLU D 85 GLU~? F 164 GLU B 85 GLU~? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 4 3 RMSD = 1.49 A TRANSFORM 0.0696 0.9483 0.3096 0.8249 0.1198 -0.5525 -0.5610 0.2939 -0.7739 24.434 61.223 128.285 C 141 GLY D 81 GLY~? C 144 GLU B 85 GLU~? C 164 GLU D 85 GLU~? ULMNm 3 1b57_c01 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 7 3 RMSD = 1.49 A TRANSFORM 0.5306 -0.4347 0.7277 -0.8467 -0.3112 0.4316 0.0388 -0.8451 -0.5331 10.847 98.346 175.277 B 109 ASP A 68 ASP.? B 182 GLU A 67 GLU.? B 286 ASN A 32 ASN~? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 4 3 RMSD = 1.49 A TRANSFORM 0.8653 -0.0211 0.5009 -0.4886 0.1878 0.8521 -0.1120 -0.9820 0.1522 71.734 107.496 214.232 E 141 GLY D 81 GLY~? E 144 GLU B 85 GLU~? E 164 GLU D 85 GLU~? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 4 3 RMSD = 1.49 A TRANSFORM -0.1884 -0.8751 -0.4459 -0.8019 -0.1250 0.5842 -0.5669 0.4676 -0.6782 116.563 124.065 120.843 D 141 GLY D 81 GLY~? D 144 GLU B 85 GLU~? D 164 GLU D 85 GLU~? ULMNm 3 2ag0_c10 BENZALDEHYDE LYASE user 5 3 RMSD = 1.50 A TRANSFORM 0.1892 0.9819 0.0020 0.2750 -0.0511 -0.9601 -0.9426 0.1822 -0.2797 25.161 -25.892 56.971 C 29 HIS D 74 HIS~? C 50 GLU D 25 GLU~? C 113 GLN D 78 GLN~? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.50 A TRANSFORM 0.0353 -0.8685 -0.4944 -0.0031 0.4946 -0.8691 0.9994 0.0322 0.0148 76.057 65.069 108.547 C 141 GLY B 81 GLY~? C 144 GLU D 85 GLU~? C 164 GLU B 85 GLU~?