*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 4mdh_c02 CYTOPLASMIC MALATE DEHYDROGENASE (E.user 3 3 RMSD = 0.77 A TRANSFORM 0.3466 -0.6463 -0.6799 -0.6435 0.3636 -0.6736 0.6825 0.6710 -0.2898 12.737 22.493 58.543 A 158 ASP B 119 ASP~? A 161 ARG B 122 ARG~? A 186 HIS B 95 HIS~? ULMNm 3 1emd_c01 MALATE DEHYDROGENASE (E.C.1.1.1.37) user 4 3 RMSD = 0.77 A TRANSFORM -0.6061 0.3887 0.6940 0.7674 0.0564 0.6386 0.2091 0.9196 -0.3325 11.626 7.879 19.248 150 ASP B 119 ASP~? 153 ARG B 122 ARG~? 177 HIS B 95 HIS~? ULMNm 3 1ldm_c01 M4 LACTATE DEHYDROGENASE user 4 3 RMSD = 0.78 A TRANSFORM 0.3787 0.9213 0.0880 -0.5206 0.2907 -0.8028 -0.7652 0.2582 0.5897 24.044 10.764 7.262 166 ASP B 119 ASP~? 169 ARG B 122 ARG~? 193 HIS B 95 HIS~? ULMNm 3 1aj8_c01 CITRATE SYNTHASE user 3 3 RMSD = 0.80 A TRANSFORM 0.6542 -0.1883 -0.7326 0.7282 -0.1049 0.6773 -0.2043 -0.9765 0.0685 18.051 23.868 79.478 B 223 HIS A 100 HIS~? B 262 HIS A 67 HIS^? B 312 ASP A 51 ASP.? ULMNm 3 1g8o_c01 N-ACETYLLACTOSAMINIDE ALPHA-1,3- GALuser 4 3 RMSD = 0.81 A TRANSFORM -0.7104 -0.0208 0.7035 -0.4275 0.8068 -0.4078 -0.5591 -0.5904 -0.5821 70.741 9.747 28.706 A 314 TRP B 14 TRP~? A 317 GLU B 19 GLU~? A 365 ARG B 66 ARG.? ULMNm 3 1aj8_c00 CITRATE SYNTHASE user 3 3 RMSD = 0.85 A TRANSFORM 0.6068 -0.7176 -0.3419 -0.5390 -0.0553 -0.8405 0.5842 0.6943 -0.4203 16.660 38.673 75.801 A 223 HIS A 100 HIS~? A 262 HIS A 67 HIS^? A 312 ASP A 51 ASP.? ULMNm 3 4mdh_c03 CYTOPLASMIC MALATE DEHYDROGENASE (E.user 4 3 RMSD = 0.85 A TRANSFORM -0.5963 0.7170 0.3610 -0.5467 -0.0335 -0.8366 -0.5878 -0.6962 0.4120 47.931 10.107 28.749 B 158 ASP B 119 ASP~? B 161 ARG B 122 ARG~? B 186 HIS B 95 HIS~? ULMNm 3 1emd_c01 MALATE DEHYDROGENASE (E.C.1.1.1.37) user 1 3 RMSD = 0.87 A TRANSFORM -0.3208 0.9104 -0.2614 0.8335 0.4024 0.3787 0.4500 -0.0964 -0.8878 7.082 7.392 13.560 150 ASP B 119 ASP~? 153 ARG A 98 ARG~? 177 HIS B 95 HIS~? ULMNm 3 1al6_c00 CITRATE SYNTHASE user 3 3 RMSD = 0.89 A TRANSFORM -0.3891 -0.8707 0.3007 -0.7087 0.4915 0.5062 -0.5886 -0.0162 -0.8083 1.851 7.328 5.328 274 HIS A 100 HIS~? 320 HIS A 67 HIS^? 375 ASP A 51 ASP.? ULMNm 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 1 3 RMSD = 0.92 A TRANSFORM -0.1689 -0.9781 -0.1215 -0.3178 0.1707 -0.9327 0.9330 -0.1189 -0.3397 32.676 0.579 57.002 A 198 GLY A 106 GLY~? A 228 SER A 103 SER~? A 549 ASP A 51 ASP.? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 RMSD = 0.95 A TRANSFORM -0.9174 0.3979 0.0086 -0.2334 -0.5553 0.7983 0.3224 0.7303 0.6022 44.834 -89.698 -117.824 A 420 ALA A 87 ALA~? B 182 GLY B 124 GLY~? B 183 GLY B 125 GLY~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 1 3 RMSD = 0.95 A TRANSFORM 0.7796 -0.0228 0.6259 0.5743 -0.3727 -0.7289 0.2499 0.9277 -0.2775 22.473 25.490 51.364 A 316 ALA A 105 ALA~? A 317 GLY A 106 GLY~? A 318 ASP A 108 ASP.? ULMNm 3 1ldm_c01 M4 LACTATE DEHYDROGENASE user 1 3 RMSD = 0.96 A TRANSFORM 0.6749 0.2466 -0.6955 -0.5148 -0.5180 -0.6831 -0.5287 0.8191 -0.2227 17.879 9.365 3.617 166 ASP B 119 ASP~? 169 ARG A 98 ARG~? 193 HIS B 95 HIS~? ULMNm 3 1cjy_c01 CYTOSOLIC PHOSPHOLIPASE A2 user 1 3 RMSD = 0.98 A TRANSFORM -0.2606 -0.5245 -0.8106 0.0675 0.8276 -0.5572 0.9631 -0.1999 -0.1803 126.792 87.809 126.179 B1198 GLY A 106 GLY~? B1228 SER A 103 SER~? B1549 ASP A 51 ASP.? ULMNm 3 1nu3_c01 LIMONENE-1,2-EPOXIDE HYDROLASE user 6 3 RMSD = 1.02 A TRANSFORM 0.2305 -0.2317 -0.9451 -0.9444 -0.2872 -0.1600 -0.2343 0.9294 -0.2850 7.464 10.500 18.682 B 99 ARG B 117 ARG~? B 101 ASP A 20 ASP~? B 132 ASP B 114 ASP~? ULMNm 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 1.03 A TRANSFORM -0.7635 -0.1495 -0.6283 0.4650 -0.8024 -0.3741 -0.4482 -0.5778 0.6821 34.934 -85.447 -151.136 A 183 GLY A 60 GLY.? B 419 GLY A 59 GLY.? B 420 ALA A 57 ALA.? ULMNm 3 1nu3_c00 LIMONENE-1,2-EPOXIDE HYDROLASE user 6 3 RMSD = 1.03 A TRANSFORM -0.2265 0.2660 0.9370 0.9088 0.4038 0.1051 -0.3504 0.8753 -0.3332 15.710 15.797 18.352 A 99 ARG B 117 ARG~? A 101 ASP A 20 ASP~? A 132 ASP B 114 ASP~? ULMNm 3 1nww_c02 LIMONENE-1,2-EPOXIDE HYDROLASE user 5 3 RMSD = 1.04 A TRANSFORM -0.2360 0.2680 0.9341 0.9161 0.3821 0.1218 -0.3242 0.8844 -0.3357 15.650 15.665 18.302 A 99 ARG B 117 ARG~? A 101 ASP A 20 ASP~? A 132 ASP B 114 ASP~? ULMNm 3 1nww_c03 LIMONENE-1,2-EPOXIDE HYDROLASE user 5 3 RMSD = 1.05 A TRANSFORM 0.2472 -0.2607 -0.9332 -0.9395 -0.3002 -0.1650 -0.2372 0.9176 -0.3191 7.264 10.207 18.667 B 99 ARG B 117 ARG~? B 101 ASP A 20 ASP~? B 132 ASP B 114 ASP~? ULMNm 3 1fr8_c01 BETA 1,4 GALACTOSYLTRANSFERASE user 1 3 RMSD = 1.06 A TRANSFORM 0.5264 -0.7993 -0.2898 0.1493 0.4225 -0.8940 0.8370 0.4273 0.3417 -5.191 12.144 30.526 B 317 GLU A 19 GLU~? B 319 ASP A 20 ASP~? B 359 ARG B 117 ARG~? ULMNm 3 1ni4_c01 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 3 3 RMSD = 1.08 A TRANSFORM 0.5718 -0.2045 0.7945 -0.3794 0.7927 0.4771 -0.7274 -0.5743 0.3757 13.748 -6.125 61.371 A 263 HIS A 95 HIS~? D 59 GLU B 102 GLU~? D 128 HIS B 95 HIS~? ULMNm 3 1ddj_c15 PLASMINOGEN user 1 3 RMSD = 1.08 A TRANSFORM 0.7978 0.5931 0.1081 0.4805 -0.5173 -0.7081 -0.3640 0.6169 -0.6978 -26.715 47.676 30.298 D 603 HIS B 67 HIS^? D 646 ASP B 51 ASP.? D 739 GLY B 47 GLY^? ULMNm 3 1ctn_c00 CHITINASE A (E.C.3.2.1.14) (PH 5.5, user 1 3 RMSD = 1.10 A TRANSFORM 0.9200 -0.2266 0.3199 -0.2572 0.2667 0.9288 -0.2958 -0.9368 0.1871 31.182 91.087 20.767 313 ASP B 109 ASP~? 315 GLU B 113 GLU~? 390 TYR B 49 TYR^? ULMNm 3 4mdh_c02 CYTOPLASMIC MALATE DEHYDROGENASE (E.user 1 3 RMSD = 1.12 A TRANSFORM -0.0119 -0.8984 0.4391 -0.5753 -0.3530 -0.7379 0.8179 -0.2614 -0.5126 18.817 20.215 55.166 A 158 ASP B 119 ASP~? A 161 ARG A 98 ARG~? A 186 HIS B 95 HIS~? ULMNm 3 1ddj_c14 PLASMINOGEN user 1 3 RMSD = 1.13 A TRANSFORM -0.4122 -0.4982 0.7628 -0.8264 0.5570 -0.0828 -0.3836 -0.6645 -0.6413 15.578 40.932 63.082 C 603 HIS B 67 HIS^? C 646 ASP B 51 ASP.? C 739 GLY B 47 GLY^? ULMNm 3 1itx_c00 GLYCOSYL HYDROLASE user 1 3 RMSD = 1.14 A TRANSFORM 0.2789 0.8922 -0.3552 -0.6570 0.4471 0.6071 0.7004 0.0640 0.7109 5.843 -0.692 25.160 A 202 ASP B 109 ASP~? A 204 GLU B 113 GLU~? A 279 TYR B 49 TYR^? ULMNm 3 1kim_c00 THYMIDINE KINASE user 5 3 RMSD = 1.14 A TRANSFORM -0.2995 0.9538 0.0252 -0.8311 -0.2479 -0.4979 -0.4686 -0.1701 0.8669 48.946 82.537 56.768 A 83 GLU B 37 GLU.? A 163 ARG B 117 ARG~? A 222 ARG B 45 ARG.? ULMNm 3 1ddj_c12 PLASMINOGEN user 1 3 RMSD = 1.14 A TRANSFORM -0.4511 -0.4496 0.7709 -0.8183 0.5532 -0.1561 -0.3563 -0.7013 -0.6175 17.063 41.971 0.663 A 603 HIS B 67 HIS^? A 646 ASP B 51 ASP.? A 739 GLY B 47 GLY^? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 2 3 RMSD = 1.15 A TRANSFORM -0.0088 -0.8146 0.5799 0.9390 0.1927 0.2849 -0.3438 0.5470 0.7633 8.826 27.510 87.102 A 241 ASP A 20 ASP~? A 265 GLU A 96 GLU~? A 369 ASP B 114 ASP~? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 1.15 A TRANSFORM -0.6133 0.5630 -0.5540 -0.0268 0.6862 0.7269 0.7894 0.4606 -0.4058 66.185 -94.173 -114.745 A 420 ALA A 57 ALA.? B 182 GLY A 60 GLY.? B 183 GLY A 59 GLY.? ULMNm 3 1ni4_c01 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 5 3 RMSD = 1.16 A TRANSFORM -0.3259 0.1337 -0.9359 -0.4371 -0.8991 0.0237 -0.8383 0.4168 0.3514 1.311 -12.853 50.369 A 263 HIS B 67 HIS^? D 59 GLU B 19 GLU~? D 128 HIS B 100 HIS~? ULMNm 3 1lij_c01 ADENOSINE KINASE user 1 3 RMSD = 1.18 A TRANSFORM -0.8734 -0.4865 -0.0208 0.3709 -0.6923 0.6189 -0.3155 0.5329 0.7852 140.324 7.792 -5.264 A 316 ALA A 105 ALA~? A 317 GLY A 106 GLY~? A 318 ASP A 108 ASP.? ULMNm 3 1k12_p00 LECTIN user 4 3 RMSD = 1.18 A TRANSFORM -0.4369 0.8231 -0.3628 -0.7634 -0.1259 0.6336 0.4758 0.5538 0.6833 -8.723 26.013 14.774 A 52 HIS B 95 HIS~? A 79 ARG A 98 ARG~? A 86 ARG B 122 ARG~? ULMNm 3 4mdh_c03 CYTOPLASMIC MALATE DEHYDROGENASE (E.user 1 3 RMSD = 1.19 A TRANSFORM -0.2392 0.6940 -0.6791 -0.6538 -0.6322 -0.4158 -0.7179 0.3445 0.6050 41.624 10.992 32.250 B 158 ASP B 119 ASP~? B 161 ARG A 98 ARG~? B 186 HIS B 95 HIS~? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 3 3 RMSD = 1.19 A TRANSFORM 0.3766 -0.8745 0.3055 -0.9084 -0.4133 -0.0634 0.1817 -0.2536 -0.9501 42.011 -99.969 -143.389 A 420 ALA B 120 ALA~? B 182 GLY B 125 GLY~? B 183 GLY B 124 GLY~? ULMNm 3 1xva_c03 GLYCINE N-METHYLTRANSFERASE user 4 3 RMSD = 1.20 A TRANSFORM -0.0733 0.9281 -0.3651 0.9870 0.0151 -0.1598 -0.1428 -0.3721 -0.9172 94.472 77.513 6.093 B 137 GLY B 24 GLY.? B 175 ARG B 66 ARG.? B 242 TYR B 49 TYR^? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 2 3 RMSD = 1.20 A TRANSFORM -0.8012 0.3438 0.4897 0.1741 0.9170 -0.3589 -0.5725 -0.2023 -0.7946 25.871 36.943 39.885 A 194 SER B 103 SER~? A 292 ASP A 51 ASP.? A 322 HIS B 67 HIS^? ULMNm 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 10 3 RMSD = 1.23 A TRANSFORM -0.6969 0.0801 0.7126 0.6800 0.3895 0.6212 -0.2278 0.9175 -0.3259 1.469 63.230 34.706 179 ASP B 114 ASP~? 227 GLU B 96 GLU~? 289 ASP B 108 ASP~? ULMNm 3 1opm_c00 1.14.17.0003 user 1 3 RMSD = 1.23 A TRANSFORM 0.2230 0.4338 0.8730 0.2777 -0.8867 0.3697 0.9344 0.1600 -0.3182 45.073 13.175 33.909 A 108 HIS A 67 HIS^? A 170 GLN A 26 GLN.? A 242 HIS A 100 HIS~? ULMNm 3 1ddj_c13 PLASMINOGEN user 1 3 RMSD = 1.24 A TRANSFORM 0.9087 0.3834 0.1650 0.3523 -0.4922 -0.7960 -0.2240 0.7815 -0.5824 -20.978 48.705 -33.773 B 603 HIS B 67 HIS^? B 646 ASP B 51 ASP.? B 739 GLY B 47 GLY^? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.24 A TRANSFORM -0.0840 0.9440 0.3190 0.2727 -0.2861 0.9186 0.9584 0.1642 -0.2334 22.016 -31.707 -45.299 B 250 ALA A 105 ALA~? B 251 GLY A 106 GLY~? B 252 ASP A 108 ASP.? ULMNm 3 1ni4_c00 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 6 3 RMSD = 1.25 A TRANSFORM 0.1350 0.1923 0.9720 0.9824 -0.1539 -0.1060 0.1292 0.9692 -0.2097 11.580 30.645 80.922 B 59 GLU B 19 GLU~? B 128 HIS B 100 HIS~? C 263 HIS B 67 HIS^? ULMNm 3 1j53_c00 DNA POLYMERASE III, EPSILON CHAIN user 3 3 RMSD = 1.26 A TRANSFORM 0.2687 -0.9609 -0.0674 -0.8416 -0.2682 0.4688 -0.4686 -0.0693 -0.8807 -19.084 25.945 -12.761 A 14 GLU A 96 GLU~? A 61 GLU A 88 GLU~? A 162 HIS A 95 HIS~? ULMNm 3 1cb7_c07 GLUTAMATE MUTASE user 1 3 RMSD = 1.27 A TRANSFORM 0.6401 0.2421 -0.7291 0.6579 0.3175 0.6829 0.3968 -0.9169 0.0440 5.670 50.259 87.909 C 14 ASP B 119 ASP~? C 16 HIS B 95 HIS~? C 67 GLY B 124 GLY~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.28 A TRANSFORM -0.5860 0.4101 -0.6989 -0.0095 -0.8659 -0.5002 -0.8103 -0.2864 0.5113 35.358 -19.975 -10.022 A 250 ALA A 105 ALA~? A 251 GLY A 106 GLY~? A 252 ASP A 108 ASP.? ULMNm 3 1cb7_c06 GLUTAMATE MUTASE user 1 3 RMSD = 1.28 A TRANSFORM 0.7069 0.0485 -0.7056 -0.6605 -0.3117 -0.6831 -0.2531 0.9489 -0.1883 6.635 -19.045 76.912 A 14 ASP B 119 ASP~? A 16 HIS B 95 HIS~? A 67 GLY B 124 GLY~? ULMNm 3 1v0e_c02 ENDO-ALPHA-SIALIDASE user 2 3 RMSD = 1.29 A TRANSFORM -0.4013 0.9067 -0.1301 0.9034 0.3683 -0.2196 -0.1512 -0.2057 -0.9669 17.958 32.980 10.856 C 581 GLU A 91 GLU~? C 596 ARG B 122 ARG~? C 647 ARG B 123 ARG~? ULMNm 3 1v0e_c00 ENDO-ALPHA-SIALIDASE user 2 3 RMSD = 1.29 A TRANSFORM -0.0722 -0.4825 0.8729 0.4596 0.7607 0.4585 -0.8852 0.4343 0.1669 76.635 46.962 34.161 A 581 GLU A 91 GLU~? A 596 ARG B 122 ARG~? A 647 ARG B 123 ARG~? ULMNm 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 2 3 RMSD = 1.29 A TRANSFORM -0.6530 0.3793 -0.6556 -0.6128 -0.7732 0.1631 -0.4451 0.5082 0.7373 34.050 63.961 13.863 B 194 SER B 103 SER~? B 292 ASP A 51 ASP.? B 322 HIS B 67 HIS^? ULMNm 3 1v0e_c04 ENDO-ALPHA-SIALIDASE user 2 3 RMSD = 1.29 A TRANSFORM 0.4270 -0.8965 0.1179 -0.8095 -0.3210 0.4916 -0.4029 -0.3053 -0.8628 6.422 -13.105 4.462 E 581 GLU A 91 GLU~? E 596 ARG B 122 ARG~? E 647 ARG B 123 ARG~? ULMNm 3 1k12_p00 LECTIN user 2 3 RMSD = 1.30 A TRANSFORM -0.2776 -0.9506 0.1390 -0.0261 -0.1371 -0.9902 0.9603 -0.2785 0.0133 -17.126 15.588 4.677 A 52 HIS A 95 HIS~? A 79 ARG B 122 ARG~? A 86 ARG A 98 ARG~? ULMNm 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 9 3 RMSD = 1.30 A TRANSFORM -0.6821 0.2163 0.6986 0.7090 -0.0383 0.7042 0.1790 0.9756 -0.1272 1.864 61.717 32.743 179 ASP B 114 ASP~? 227 GLU B 48 GLU^? 289 ASP B 108 ASP~? ULMNm 3 1v0e_c01 ENDO-ALPHA-SIALIDASE user 2 3 RMSD = 1.31 A TRANSFORM 0.4836 -0.4151 -0.7706 0.8334 -0.0508 0.5503 -0.2675 -0.9084 0.3214 23.688 66.267 65.514 B 581 GLU A 91 GLU~? B 596 ARG B 122 ARG~? B 647 ARG B 123 ARG~? ULMNm 3 1j53_c00 DNA POLYMERASE III, EPSILON CHAIN user 8 3 RMSD = 1.32 A TRANSFORM 0.3421 0.9386 0.0457 0.7473 -0.3012 0.5922 0.5696 -0.1684 -0.8045 -2.297 36.337 -4.816 A 14 GLU B 96 GLU~? A 61 GLU B 88 GLU~? A 162 HIS B 95 HIS~? ULMNm 3 1v0e_c03 ENDO-ALPHA-SIALIDASE user 2 3 RMSD = 1.32 A TRANSFORM 0.0924 0.4861 -0.8690 -0.1807 -0.8501 -0.4947 -0.9792 0.2028 0.0093 -52.013 -33.840 22.106 D 581 GLU A 91 GLU~? D 596 ARG B 122 ARG~? D 647 ARG B 123 ARG~? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 5 3 RMSD = 1.32 A TRANSFORM -0.2540 -0.7132 -0.6533 -0.7253 0.5873 -0.3592 0.6399 0.3826 -0.6664 11.927 42.208 80.205 A 241 ASP B 114 ASP~? A 265 GLU A 62 GLU~? A 369 ASP A 20 ASP~? ULMNm 3 1v0e_c05 ENDO-ALPHA-SIALIDASE user 2 3 RMSD = 1.32 A TRANSFORM -0.4869 0.4154 0.7684 -0.7154 0.3151 -0.6236 -0.5011 -0.8534 0.1437 0.775 -61.050 46.866 F 581 GLU A 91 GLU~? F 596 ARG B 122 ARG~? F 647 ARG B 123 ARG~? ULMNm 3 2c7v_c10 PTERIDINE REDUCTASE user 1 3 RMSD = 1.33 A TRANSFORM 0.3093 0.0936 -0.9463 -0.4372 0.8978 -0.0541 0.8445 0.4304 0.3187 4.349 29.731 33.560 C 14 ARG A 23 ARG~? C 161 ASP A 51 ASP.? C 174 TYR A 49 TYR^? ULMNm 3 1j53_c00 DNA POLYMERASE III, EPSILON CHAIN user 7 3 RMSD = 1.34 A TRANSFORM -0.2122 0.9747 -0.0699 -0.3091 0.0009 0.9510 0.9271 0.2234 0.3011 -8.080 27.775 3.125 A 14 GLU B 96 GLU~? A 61 GLU B 37 GLU.? A 162 HIS B 99 HIS~? ULMNm 3 1pyl_c01 RIBONUCLEASE user 8 3 RMSD = 1.36 A TRANSFORM 0.9504 0.3073 0.0473 -0.3077 0.9079 0.2847 0.0446 -0.2851 0.9575 30.648 -9.282 9.135 B 56 GLU B 113 GLU~? B 67 ARG B 45 ARG.? B 86 HIS B 99 HIS~? ULMNm 3 1ab4_c00 GYRASE A user 2 3 RMSD = 1.36 A TRANSFORM 0.2630 -0.6961 -0.6680 0.7226 -0.3166 0.6144 -0.6392 -0.6444 0.4197 43.490 60.126 30.057 32 ARG A 23 ARG~? 78 HIS A 100 HIS~? 122 TYR A 72 TYR~? ULMNm 3 1j70_c01 ATP SULPHURYLASE user 7 3 RMSD = 1.37 A TRANSFORM -0.9440 0.0735 0.3215 -0.2502 -0.7948 -0.5530 0.2149 -0.6025 0.7687 -12.335 106.495 29.111 B 197 ARG B 117 ARG~? B 201 HIS B 95 HIS~? B 204 HIS B 99 HIS~? ULMNm 3 3cla_c00 TYPE III CHLORAMPHENICOL ACETYLTRANSuser 4 3 RMSD = 1.37 A TRANSFORM 0.7839 -0.6204 -0.0252 0.3056 0.4209 -0.8541 0.5404 0.6618 0.5195 17.716 -4.856 24.685 18 ARG B 122 ARG~? 195 HIS B 95 HIS~? 199 ASP B 119 ASP~? ULMNm 3 1j53_c00 DNA POLYMERASE III, EPSILON CHAIN user 9 3 RMSD = 1.39 A TRANSFORM -0.6946 0.5881 0.4144 -0.5941 -0.1440 -0.7914 -0.4058 -0.7959 0.4494 -7.803 17.879 -3.733 A 14 GLU B 96 GLU~? A 61 GLU B 102 GLU~? A 162 HIS B 95 HIS~? ULMNm 3 2ag0_c10 BENZALDEHYDE LYASE user 2 3 RMSD = 1.40 A TRANSFORM 0.4262 0.8795 0.2116 -0.4192 0.3993 -0.8154 -0.8017 0.2588 0.5388 69.912 -4.448 13.351 C 29 HIS B 67 HIS^? C 50 GLU B 15 GLU~? C 113 GLN B 26 GLN.? ULMNm 3 1ab4_c00 GYRASE A user 3 3 RMSD = 1.41 A TRANSFORM 0.1115 0.7996 -0.5901 0.7068 -0.4812 -0.5185 -0.6986 -0.3593 -0.6188 52.702 67.376 22.842 32 ARG A 98 ARG~? 78 HIS B 95 HIS~? 122 TYR B 3 TYR~? ULMNm 3 2ag0_c11 BENZALDEHYDE LYASE user 2 3 RMSD = 1.41 A TRANSFORM -0.4872 -0.8410 -0.2354 -0.8532 0.4008 0.3339 -0.1864 0.3635 -0.9127 42.163 -6.761 18.102 D 29 HIS B 67 HIS^? D 50 GLU B 15 GLU~? D 113 GLN B 26 GLN.? ULMNm 3 1a8h_c02 METHIONYL-TRNA SYNTHETASE user 1 3 RMSD = 1.41 A TRANSFORM -0.3804 0.3999 -0.8339 -0.9158 -0.2884 0.2795 -0.1287 0.8700 0.4759 57.372 36.924 68.381 16 ALA A 69 ALA^? 19 HIS A 67 HIS^? 22 HIS A 29 HIS^? ULMNm 3 2ag0_c09 BENZALDEHYDE LYASE user 2 3 RMSD = 1.41 A TRANSFORM 0.5306 0.8409 0.1068 0.4344 -0.3780 0.8176 0.7278 -0.3874 -0.5658 70.341 -0.501 20.281 A 29 HIS B 67 HIS^? A 50 GLU B 15 GLU~? A 113 GLN B 26 GLN.? ULMNm 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 7 3 RMSD = 1.41 A TRANSFORM -0.1411 -0.0715 0.9874 -0.9576 -0.2432 -0.1545 0.2512 -0.9673 -0.0341 48.306 38.446 12.679 199 ASP B 114 ASP~? 242 GLU B 77 GLU~? 329 ASP B 108 ASP~? ULMNm 3 1e7l_c01 RECOMBINATION ENDONUCLEASE VII user 4 3 RMSD = 1.41 A TRANSFORM 0.0922 0.9927 0.0777 0.6778 -0.0054 -0.7352 -0.7295 0.1204 -0.6733 34.169 17.290 28.085 B 41 HIS A 95 HIS~? B 43 HIS A 99 HIS~? B 65 GLU A 48 GLU^? ULMNm 3 1c54_c00 RIBONUCLEASE SA user 2 3 RMSD = 1.41 A TRANSFORM 0.7694 -0.0470 -0.6370 -0.4649 -0.7250 -0.5081 -0.4380 0.6871 -0.5797 -12.446 -8.759 -18.808 A 54 GLU A 91 GLU~? A 65 ARG A 98 ARG~? A 85 HIS B 95 HIS~? ULMNm 3 2ag0_c08 BENZALDEHYDE LYASE user 2 3 RMSD = 1.41 A TRANSFORM -0.4656 -0.8810 -0.0843 0.8449 -0.4141 -0.3387 0.2635 -0.2289 0.9371 42.318 1.121 20.052 B 29 HIS B 67 HIS^? B 50 GLU B 15 GLU~? B 113 GLN B 26 GLN.? ULMNm 3 2ag0_c04 BENZALDEHYDE LYASE user 2 3 RMSD = 1.41 A TRANSFORM -0.4656 -0.8810 -0.0843 0.8449 -0.4141 -0.3387 0.2635 -0.2289 0.9371 42.318 1.121 20.052 B 29 HIS B 67 HIS^? B 50 GLU B 15 GLU~? B 113 GLN B 26 GLN.? ULMNm 3 1rtu_c00 RIBONUCLEASE U2 user 3 3 RMSD = 1.42 A TRANSFORM 0.1786 -0.7598 -0.6251 0.2529 0.6494 -0.7172 0.9509 -0.0300 0.3081 2.068 33.351 16.541 41 HIS A 99 HIS~? 62 GLU A 102 GLU~? 101 HIS B 95 HIS~? ULMNm 3 1kim_c00 THYMIDINE KINASE user 1 3 RMSD = 1.42 A TRANSFORM -0.4503 -0.1155 0.8854 0.6127 0.6813 0.4005 -0.6494 0.7228 -0.2360 49.061 88.477 54.523 A 83 GLU A 102 GLU~? A 163 ARG A 98 ARG~? A 222 ARG B 107 ARG.? ULMNm 3 5cox_c07 CYCLOOXYGENASE-2 user 1 3 RMSD = 1.42 A TRANSFORM -0.5200 -0.8495 0.0895 -0.3376 0.3006 0.8920 -0.7846 0.4336 -0.4431 2.118 52.392 73.037 D 203 GLN A 26 GLN.? D 207 HIS A 67 HIS^? D 385 TYR A 49 TYR^? ULMNm 3 1ndo_c02 NAPTHALENE 1,2-DIOXYGENASE user 1 3 RMSD = 1.42 A TRANSFORM 0.6655 0.2157 0.7145 0.2924 -0.9561 0.0162 0.6867 0.1982 -0.6994 43.466 65.352 34.326 C 205 ASP B 119 ASP~? C 208 HIS B 95 HIS~? E 104 HIS B 99 HIS~? ULMNm 3 5cox_c06 CYCLOOXYGENASE-2 user 1 3 RMSD = 1.43 A TRANSFORM 0.4208 0.9053 -0.0582 -0.8456 0.3682 -0.3864 -0.3284 0.2118 0.9205 72.393 46.519 72.998 C 203 GLN A 26 GLN.? C 207 HIS A 67 HIS^? C 385 TYR A 49 TYR^? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 2 3 RMSD = 1.43 A TRANSFORM 0.5107 0.4863 -0.7090 0.8572 -0.3511 0.3766 -0.0658 -0.8001 -0.5962 -0.285 -8.833 115.540 C 70 ALA A 79 ALA~? C 126 LEU A 76 LEU~? C 158 GLU A 77 GLU~? ULMNm 3 5cox_c04 CYCLOOXYGENASE-2 user 1 3 RMSD = 1.43 A TRANSFORM -0.4703 -0.8803 0.0616 0.8118 -0.4043 0.4213 -0.3460 0.2482 0.9048 12.388 19.609 14.205 A 203 GLN A 26 GLN.? A 207 HIS A 67 HIS^? A 385 TYR A 49 TYR^? ULMNm 3 1ig8_c00 HEXOKINASE PII user 2 3 RMSD = 1.43 A TRANSFORM -0.0186 -0.4693 -0.8829 -0.9272 -0.3223 0.1909 -0.3741 0.8222 -0.4291 20.644 72.200 14.448 A 158 SER A 103 SER~? A 173 ARG B 107 ARG.? A 211 ASP A 51 ASP.? ULMNm 3 1k12_p00 LECTIN user 5 3 RMSD = 1.43 A TRANSFORM 0.3919 0.4564 -0.7988 -0.8792 0.4416 -0.1791 0.2710 0.7725 0.5743 -8.170 20.871 13.455 A 52 HIS B 95 HIS~? A 79 ARG B 98 ARG~? A 86 ARG A 98 ARG~? ULMNm 3 5cox_c05 CYCLOOXYGENASE-2 user 1 3 RMSD = 1.43 A TRANSFORM 0.4866 0.8717 -0.0578 0.3316 -0.2454 -0.9110 -0.8083 0.4241 -0.4085 82.677 16.982 12.596 B 203 GLN A 26 GLN.? B 207 HIS A 67 HIS^? B 385 TYR A 49 TYR^? ULMNm 3 1pyl_c01 RIBONUCLEASE user 2 3 RMSD = 1.44 A TRANSFORM 0.1699 0.7202 0.6726 -0.7805 -0.3184 0.5380 0.6017 -0.6164 0.5080 40.113 -10.705 6.409 B 56 GLU A 102 GLU~? B 67 ARG B 98 ARG~? B 86 HIS A 95 HIS~? ULMNm 3 1ndo_c01 NAPTHALENE 1,2-DIOXYGENASE user 1 3 RMSD = 1.44 A TRANSFORM 0.9784 0.0484 0.2010 0.1415 0.5523 -0.8216 -0.1508 0.8323 0.5335 42.198 11.407 31.993 A 104 HIS B 99 HIS~? E 205 ASP B 119 ASP~? E 208 HIS B 95 HIS~? ULMNm 3 4dqk_o00 BIFUNCTIONAL P-450/NADPH-P450 REDUCTuser 1 3 RMSD = 1.44 A TRANSFORM -0.3967 -0.8966 -0.1969 0.8399 -0.4411 0.3162 -0.3703 -0.0399 0.9280 69.323 32.341 26.525 A 966 SER A 103 SER~? A 967 ARG A 107 ARG.? A 975 TYR A 49 TYR^? ULMNm 3 1ndo_c00 NAPTHALENE 1,2-DIOXYGENASE user 1 3 RMSD = 1.44 A TRANSFORM 0.7319 0.6332 0.2519 -0.5394 0.3124 0.7820 0.4164 -0.7082 0.5702 25.445 36.722 76.507 A 205 ASP B 119 ASP~? A 208 HIS B 95 HIS~? C 104 HIS B 99 HIS~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 3 3 RMSD = 1.44 A TRANSFORM -0.5876 -0.1423 -0.7965 -0.5434 0.7988 0.2582 0.5995 0.5845 -0.5467 -10.032 -11.285 132.896 C 70 ALA B 79 ALA~? C 126 LEU B 76 LEU~? C 158 GLU B 77 GLU~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 1 3 RMSD = 1.44 A TRANSFORM 0.4854 -0.5627 0.6691 -0.8742 -0.3033 0.3792 -0.0104 -0.7690 -0.6391 -34.065 7.979 116.283 B 70 ALA A 79 ALA~? B 126 LEU A 76 LEU~? B 158 GLU A 77 GLU~? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 3 3 RMSD = 1.44 A TRANSFORM -0.6314 -0.6438 -0.4323 -0.7755 0.5296 0.3438 0.0076 0.5523 -0.8336 13.984 35.287 89.816 A 241 ASP B 108 ASP~? A 265 GLU A 62 GLU~? A 369 ASP B 114 ASP~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 9 3 RMSD = 1.44 A TRANSFORM -0.3126 0.6787 -0.6645 0.8918 0.4506 0.0408 0.3271 -0.5799 -0.7461 4.849 9.406 -4.803 141 ASP B 119 ASP~? 166 GLY A 24 GLY.? 169 GLU A 62 GLU~? ULMNm 3 1j70_c02 ATP SULPHURYLASE user 7 3 RMSD = 1.45 A TRANSFORM 0.3999 0.7836 0.4755 0.8929 -0.2159 -0.3952 -0.2070 0.5826 -0.7860 28.118 8.182 14.065 C 197 ARG B 117 ARG~? C 201 HIS B 95 HIS~? C 204 HIS B 99 HIS~? ULMNm 3 1qrz_c12 PLASMINOGEN user 1 3 RMSD = 1.45 A TRANSFORM -0.9811 -0.0422 -0.1887 0.1176 0.6447 -0.7554 0.1535 -0.7633 -0.6276 -15.542 11.012 24.812 A 603 HIS A 100 HIS~? A 646 ASP B 114 ASP~? A 741 SER A 103 SER~? ULMNm 3 1kim_c00 THYMIDINE KINASE user 4 3 RMSD = 1.45 A TRANSFORM 0.2639 -0.9581 0.1111 0.9645 0.2629 -0.0233 -0.0069 0.1133 0.9935 54.537 76.483 54.662 A 83 GLU B 37 GLU.? A 163 ARG B 45 ARG.? A 222 ARG B 117 ARG~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 2 3 RMSD = 1.45 A TRANSFORM -0.1648 0.7740 0.6113 0.8232 -0.2334 0.5175 0.5432 0.5886 -0.5987 -30.977 18.898 132.816 B 70 ALA B 79 ALA~? B 126 LEU B 76 LEU~? B 158 GLU B 77 GLU~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 1 3 RMSD = 1.45 A TRANSFORM -0.9996 -0.0121 -0.0258 0.0142 0.5738 -0.8189 0.0247 -0.8189 -0.5734 -3.313 28.513 114.364 A 70 ALA A 79 ALA~? A 126 LEU A 76 LEU~? A 158 GLU A 77 GLU~? ULMNm 3 1bhg_c02 BETA-GLUCURONIDASE user 2 3 RMSD = 1.46 A TRANSFORM -0.9161 0.0903 -0.3906 0.1891 0.9564 -0.2224 0.3535 -0.2776 -0.8933 80.778 101.441 76.407 A 451 GLU A 96 GLU~? A 504 TYR A 71 TYR^? A 540 GLU A 48 GLU^? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 2 3 RMSD = 1.47 A TRANSFORM 0.8158 -0.5649 0.1242 -0.2222 -0.5044 -0.8344 0.5340 0.6531 -0.5370 5.227 21.774 131.207 A 70 ALA B 79 ALA~? A 126 LEU B 76 LEU~? A 158 GLU B 77 GLU~? ULMNm 3 1j53_c00 DNA POLYMERASE III, EPSILON CHAIN user 6 3 RMSD = 1.48 A TRANSFORM -0.1422 0.5750 0.8057 -0.3238 -0.7962 0.5111 0.9354 -0.1882 0.2994 -1.481 28.269 4.954 A 14 GLU B 96 GLU~? A 61 GLU B 37 GLU.? A 162 HIS B 95 HIS~? ULMNm 3 1qrz_c14 PLASMINOGEN user 1 3 RMSD = 1.48 A TRANSFORM -0.4539 0.7139 0.5333 -0.1585 -0.6536 0.7401 0.8768 0.2514 0.4098 12.181 -17.138 6.182 C 603 HIS A 100 HIS~? C 646 ASP B 114 ASP~? C 741 SER A 103 SER~? ULMNm 3 1cns_c01 CHITINASE user 3 3 RMSD = 1.49 A TRANSFORM -0.2824 0.4324 -0.8563 0.4608 -0.7218 -0.5164 -0.8414 -0.5404 0.0046 2.009 -10.871 46.471 B 67 GLU B 48 GLU^? B 89 GLU B 33 GLU.? B 120 SER B 74 SER~? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 1 3 RMSD = 1.50 A TRANSFORM 0.4420 0.5467 0.7112 -0.7954 0.6054 0.0290 -0.4147 -0.5785 0.7024 41.691 27.528 53.179 A 194 SER B 74 SER~? A 292 ASP A 84 ASP~? A 322 HIS B 29 HIS^? ULMNm 3 1nu3_c00 LIMONENE-1,2-EPOXIDE HYDROLASE user 1 3 RMSD = 1.50 A TRANSFORM -0.7989 -0.2134 -0.5623 0.5807 -0.5172 -0.6288 -0.1566 -0.8289 0.5371 20.176 16.400 11.293 A 99 ARG A 23 ARG~? A 101 ASP A 20 ASP~? A 132 ASP B 114 ASP~?