*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 4 1pix_c03 GLUTACONYL-COA DECARBOXYLASE A SUBUNuser 2 4 RMSD = 1.47 A TRANSFORM 0.8847 -0.3817 0.2676 0.2363 0.8621 0.4482 0.4018 0.3333 -0.8529 39.809 54.923 16.172 A 193 ALA A 37 ALA.? A 194 GLY A 36 GLY.? B 457 ALA A 41 ALA~? B 458 ALA A 26 ALA~? ULMNm 4 1pix_c02 GLUTACONYL-COA DECARBOXYLASE A SUBUNuser 1 4 RMSD = 1.47 A TRANSFORM 0.3214 -0.8725 -0.3681 -0.8940 -0.4077 0.1857 0.3121 -0.2694 0.9110 57.984 169.411 -3.811 A 457 ALA A 22 ALA~? A 458 ALA A 19 ALA~? B 193 ALA A 25 ALA~? B 194 GLY B 16 GLY~? ULMNm 4 1pix_c03 GLUTACONYL-COA DECARBOXYLASE A SUBUNuser 3 4 RMSD = 1.49 A TRANSFORM 0.5334 0.0388 0.8450 -0.8138 -0.2488 0.5251 -0.2306 0.9678 0.1011 29.618 132.422 23.460 A 193 ALA B 37 ALA.? A 194 GLY B 36 GLY.? B 457 ALA B 41 ALA~? B 458 ALA B 26 ALA~? ULMNm 3 1bp2_c00 PHOSPHOLIPASE A2 (E.C.3.1.1.4) (PHOSuser 2 3 RMSD = 0.57 A TRANSFORM 0.5990 -0.7234 0.3433 0.5573 0.0687 -0.8275 -0.5750 -0.6870 -0.4443 7.924 -10.048 66.641 30 GLY A 74 GLY.? 48 HIS B 76 HIS.? 99 ASP B 127 ASP~? ULMNm 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 1 3 RMSD = 0.79 A TRANSFORM 0.7535 -0.0980 -0.6501 -0.4652 -0.7781 -0.4220 0.4645 -0.6204 0.6319 19.207 22.232 52.840 A 198 GLY A 124 GLY.? A 228 SER B 2 SER~? A 549 ASP B 133 ASP~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 15 3 RMSD = 0.85 A TRANSFORM 0.3304 -0.9297 0.1627 -0.4667 -0.3108 -0.8280 -0.8204 -0.1977 0.5366 -2.925 20.628 33.031 141 ASP B 53 ASP.? 166 GLY A 92 GLY~? 169 GLU A 88 GLU~? ULMNm 3 1cjy_c01 CYTOSOLIC PHOSPHOLIPASE A2 user 1 3 RMSD = 0.88 A TRANSFORM 0.1830 -0.7205 -0.6688 -0.7732 -0.5256 0.3548 0.6072 -0.4522 0.6533 134.317 110.636 116.036 B1198 GLY A 124 GLY.? B1228 SER B 2 SER~? B1549 ASP B 133 ASP~? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 3 3 RMSD = 0.93 A TRANSFORM -0.8704 0.2728 -0.4099 0.1317 -0.6731 -0.7277 0.4744 0.6874 -0.5500 13.562 8.844 -41.411 14 ASP A 75 ASP.? 16 HIS A 76 HIS.? 67 GLY A 155 GLY~? ULMNm 3 1n2t_c03 L-CYSTEINE-CYSTINE LYASE C-DES user 3 3 RMSD = 0.95 A TRANSFORM -0.4500 0.1537 0.8797 0.3217 -0.8910 0.3203 -0.8331 -0.4271 -0.3515 -26.419 23.127 14.498 B 114 HIS A 76 HIS.? B 197 ASP A 75 ASP.? B 223 ALA A 85 ALA~? ULMNm 3 1n2t_c02 L-CYSTEINE-CYSTINE LYASE C-DES user 3 3 RMSD = 0.96 A TRANSFORM 0.4377 -0.1588 -0.8850 -0.1847 0.9474 -0.2613 -0.8800 -0.2778 -0.3854 -66.914 -31.733 10.351 A 114 HIS A 76 HIS.? A 197 ASP A 75 ASP.? A 223 ALA A 85 ALA~? ULMNm 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 2 3 RMSD = 0.99 A TRANSFORM 0.2462 0.9553 0.1639 0.4323 -0.2596 0.8636 -0.8675 0.1418 0.4769 -23.554 57.629 65.236 179 ASP B 133 ASP~? 227 GLU A 88 GLU~? 289 ASP B 127 ASP~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 8 3 RMSD = 1.01 A TRANSFORM 0.3524 -0.5907 0.7258 0.2057 0.8055 0.5557 0.9130 0.0465 -0.4054 45.810 -18.762 -22.860 A 67 ASP B 127 ASP~? A 68 ALA B 129 ALA~? A 72 LEU B 8 LEU~? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 9 3 RMSD = 1.03 A TRANSFORM -0.3912 0.1090 -0.9138 0.6849 0.6977 -0.2100 -0.6147 0.7081 0.3476 10.670 -56.750 2.981 14 ASP B 75 ASP.? 16 HIS B 76 HIS.? 67 GLY B 155 GLY~? ULMNm 3 1ds2_c02 PROTEINASE B (SGPB user 7 3 RMSD = 1.06 A TRANSFORM 0.4614 -0.8809 0.1057 0.0933 -0.0703 -0.9931 -0.8823 -0.4681 -0.0498 10.639 26.950 74.959 E 57 HIS B 76 HIS.? E 102 ASP B 127 ASP~? E 193 GLY A 74 GLY.? ULMNm 3 1n2t_c03 L-CYSTEINE-CYSTINE LYASE C-DES user 11 3 RMSD = 1.07 A TRANSFORM -0.1931 -0.9740 -0.1186 0.9401 -0.2183 0.2619 0.2810 0.0609 -0.9578 -1.137 -31.005 -37.368 B 114 HIS B 76 HIS.? B 197 ASP B 75 ASP.? B 223 ALA B 85 ALA~? ULMNm 3 1n2t_c02 L-CYSTEINE-CYSTINE LYASE C-DES user 11 3 RMSD = 1.07 A TRANSFORM 0.1960 0.9750 0.1046 -0.9726 0.2069 -0.1062 0.1252 0.0810 -0.9888 -92.868 29.927 -31.886 A 114 HIS B 76 HIS.? A 197 ASP B 75 ASP.? A 223 ALA B 85 ALA~? ULMNm 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 6 3 RMSD = 1.07 A TRANSFORM -0.9152 0.1038 0.3894 0.3145 0.7880 0.5293 0.2519 -0.6069 0.7538 87.634 4.630 19.840 199 ASP B 127 ASP~? 242 GLU B 97 GLU~? 329 ASP A 75 ASP.? ULMNm 3 1qrz_c12 PLASMINOGEN user 3 3 RMSD = 1.08 A TRANSFORM 0.8504 -0.5241 -0.0457 0.5257 0.8437 0.1088 0.0184 0.1166 -0.9930 -48.627 -28.674 14.428 A 603 HIS B 144 HIS~? A 646 ASP B 134 ASP~? A 741 SER B 140 SER.? ULMNm 3 1a0j_c14 TRYPSIN user 4 3 RMSD = 1.08 A TRANSFORM 0.2958 0.9472 -0.1235 -0.8344 0.3191 0.4493 -0.4650 0.0298 -0.8848 0.512 69.228 94.979 C 57 HIS B 76 HIS.? C 102 ASP B 127 ASP~? C 193 GLY A 74 GLY.? ULMNm 3 1kim_c00 THYMIDINE KINASE user 11 3 RMSD = 1.08 A TRANSFORM -0.7426 0.3769 0.5536 -0.2742 -0.9253 0.2620 -0.6110 -0.0427 -0.7905 91.760 98.714 72.019 A 83 GLU B 57 GLU~? A 163 ARG B 108 ARG.? A 222 ARG B 55 ARG~? ULMNm 3 1rtf_c06 TWO CHAIN TISSUE PLASMINOGEN ACTIVATuser 4 3 RMSD = 1.08 A TRANSFORM 0.1049 0.6151 -0.7814 -0.2042 -0.7557 -0.6223 0.9733 -0.2248 -0.0463 -20.950 54.988 5.720 B 57 HIS B 76 HIS.? B 102 ASP B 127 ASP~? B 193 GLY A 74 GLY.? ULMNm 3 2lpr_c02 ALPHA-LYTIC PROTEASE user 4 3 RMSD = 1.08 A TRANSFORM -0.2559 0.4825 -0.8377 -0.5893 -0.7648 -0.2605 0.7663 -0.4270 -0.4800 17.435 72.667 -2.995 A 57 HIS B 76 HIS.? A 102 ASP B 127 ASP~? A 193 GLY A 74 GLY.? ULMNm 3 1a0j_c15 TRYPSIN user 6 3 RMSD = 1.09 A TRANSFORM -0.0134 -0.4137 -0.9103 -0.6853 0.6667 -0.2929 -0.7281 -0.6199 0.2924 20.339 30.579 140.596 D 57 HIS B 76 HIS.? D 102 ASP B 127 ASP~? D 193 GLY A 74 GLY.? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 2 3 RMSD = 1.09 A TRANSFORM 0.5284 -0.2596 0.8083 0.8156 -0.1092 -0.5682 -0.2358 -0.9595 -0.1540 38.424 -9.475 55.364 A 67 ASP A 127 ASP~? A 68 ALA A 129 ALA~? A 72 LEU A 8 LEU~? ULMNm 3 1ssx_c02 ALPHA-LYTIC PROTEASE user 4 3 RMSD = 1.10 A TRANSFORM -0.2603 0.4669 -0.8451 -0.5917 -0.7688 -0.2426 0.7630 -0.4369 -0.4764 18.041 72.809 -2.610 A 57 HIS B 76 HIS.? A 102 ASP B 127 ASP~? A 193 GLY A 74 GLY.? ULMNm 3 1nww_c02 LIMONENE-1,2-EPOXIDE HYDROLASE user 1 3 RMSD = 1.11 A TRANSFORM -0.9240 -0.3808 -0.0336 -0.3814 0.9243 0.0141 -0.0257 -0.0258 0.9993 57.088 18.369 7.112 A 99 ARG A 24 ARG~? A 101 ASP A 73 ASP.? A 132 ASP B 9 ASP~? ULMNm 3 1nww_c03 LIMONENE-1,2-EPOXIDE HYDROLASE user 1 3 RMSD = 1.11 A TRANSFORM 0.9195 0.3913 0.0383 0.3875 -0.9183 0.0813 -0.0669 0.0599 0.9960 -34.173 6.001 8.017 B 99 ARG A 24 ARG~? B 101 ASP A 73 ASP.? B 132 ASP B 9 ASP~? ULMNm 3 1kim_c00 THYMIDINE KINASE user 2 3 RMSD = 1.11 A TRANSFORM 0.1877 0.9390 -0.2883 0.1507 0.2625 0.9531 -0.9706 0.2224 0.0922 29.524 54.124 55.777 A 83 GLU A 57 GLU~? A 163 ARG A 108 ARG.? A 222 ARG A 55 ARG~? ULMNm 3 1a0j_c12 TRYPSIN user 4 3 RMSD = 1.12 A TRANSFORM 0.7522 -0.2049 0.6263 0.4129 -0.5941 -0.6903 -0.5135 -0.7778 0.3623 -4.075 38.366 100.597 A 57 HIS B 76 HIS.? A 102 ASP B 127 ASP~? A 193 GLY A 74 GLY.? ULMNm 3 1vzz_c01 STEROID DELTA-ISOMERASE user 4 3 RMSD = 1.12 A TRANSFORM 0.6380 0.3720 -0.6743 0.4515 -0.8900 -0.0638 0.6238 0.2638 0.7357 -18.431 14.007 -2.026 B 16 TYR B 69 TYR~? B 40 ASP A 73 ASP.? B 103 LEU B 8 LEU~? ULMNm 3 1a0j_c13 TRYPSIN user 7 3 RMSD = 1.12 A TRANSFORM -0.9466 -0.2943 0.1319 -0.2884 0.9555 0.0620 0.1443 -0.0206 0.9893 91.496 36.460 44.540 B 57 HIS B 76 HIS.? B 102 ASP B 127 ASP~? B 193 GLY A 74 GLY.? ULMNm 3 2wwt_o01 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 RMSD = 1.13 A TRANSFORM -0.2609 -0.8189 -0.5112 0.9609 -0.2714 -0.0555 0.0933 0.5057 -0.8577 7.424 -39.181 33.227 B 49 ASP A 73 ASP.? B 86 HIS B 76 HIS.? B 250 ALA B 129 ALA~? ULMNm 3 1nu3_c01 LIMONENE-1,2-EPOXIDE HYDROLASE user 1 3 RMSD = 1.13 A TRANSFORM 0.9190 0.3867 0.0768 0.3789 -0.9202 0.0986 -0.1088 0.0615 0.9922 -34.377 6.450 9.659 B 99 ARG A 24 ARG~? B 101 ASP A 73 ASP.? B 132 ASP B 9 ASP~? ULMNm 3 1ez2_c01 PHOSPHOTRIESTERASE user 1 3 RMSD = 1.14 A TRANSFORM -0.4774 -0.2085 0.8536 -0.0337 -0.9664 -0.2549 -0.8780 0.1504 -0.4544 73.554 -8.275 36.890 B 233 ASP A 73 ASP.? B 254 HIS B 76 HIS.? B 301 ASP B 127 ASP~? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.14 A TRANSFORM -0.8873 0.4031 0.2238 0.0574 0.5783 -0.8138 0.4575 0.7093 0.5363 109.799 98.957 122.310 B 141 GLY A 124 GLY.? B 144 GLU B 5 GLU~? B 164 GLU A 123 GLU.? ULMNm 3 1vzz_c00 STEROID DELTA-ISOMERASE user 4 3 RMSD = 1.14 A TRANSFORM 0.5183 0.2919 -0.8038 -0.4348 0.8993 0.0463 -0.7364 -0.3255 -0.5930 -12.634 21.463 55.535 A 16 TYR B 69 TYR~? A 40 ASP A 73 ASP.? A 103 LEU B 8 LEU~? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.14 A TRANSFORM 0.6884 0.1534 0.7089 0.5522 0.5228 -0.6494 0.4702 -0.8385 -0.2752 30.850 74.013 138.190 C 141 GLY A 124 GLY.? C 144 GLU B 5 GLU~? C 164 GLU A 123 GLU.? ULMNm 3 1qrz_c21 PLASMINOGEN user 4 3 RMSD = 1.14 A TRANSFORM 0.6509 -0.7069 0.2769 0.6016 0.2577 -0.7561 -0.4631 -0.6587 -0.5930 -62.666 -26.124 33.099 B 603 HIS B 76 HIS.? B 646 ASP B 75 ASP.? B 739 GLY B 16 GLY~? ULMNm 3 1qrz_c15 PLASMINOGEN user 2 3 RMSD = 1.14 A TRANSFORM 0.2152 -0.3291 0.9194 -0.5040 -0.8438 -0.1841 -0.8365 0.4238 0.3474 -40.441 20.540 80.764 D 603 HIS B 144 HIS~? D 646 ASP B 134 ASP~? D 741 SER B 140 SER.? ULMNm 3 1qol_c07 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 2 3 RMSD = 1.14 A TRANSFORM 0.2529 -0.8835 0.3943 -0.8520 -0.0102 0.5235 0.4585 0.4683 0.7553 -28.097 44.492 -74.718 H 51 ALA B 129 ALA~? H 148 HIS B 76 HIS.? H 163 ASP A 73 ASP.? ULMNm 3 2wwt_o02 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 RMSD = 1.15 A TRANSFORM 0.9559 -0.2828 -0.0792 0.2869 0.8419 0.4571 0.0626 0.4597 -0.8859 21.932 -43.055 0.295 C 49 ASP A 73 ASP.? C 86 HIS B 76 HIS.? C 250 ALA B 129 ALA~? ULMNm 3 2wwt_o03 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 RMSD = 1.15 A TRANSFORM 0.5043 -0.7921 -0.3439 -0.8567 -0.4088 -0.3146 -0.1087 -0.4533 0.8847 34.593 -8.887 -0.748 D 49 ASP A 73 ASP.? D 86 HIS B 76 HIS.? D 250 ALA B 129 ALA~? ULMNm 3 1ez2_c00 PHOSPHOTRIESTERASE user 1 3 RMSD = 1.15 A TRANSFORM -0.5219 -0.2210 0.8239 -0.0112 0.9675 0.2525 0.8530 -0.1225 0.5074 74.488 -24.662 -0.764 A 233 ASP A 73 ASP.? A 254 HIS B 76 HIS.? A 301 ASP B 127 ASP~? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.15 A TRANSFORM 0.9466 -0.2879 -0.1452 -0.0465 -0.5675 0.8221 0.3191 0.7714 0.5506 31.768 85.584 128.302 F 141 GLY A 124 GLY.? F 144 GLU B 5 GLU~? F 164 GLU A 123 GLU.? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.15 A TRANSFORM -0.5947 -0.3201 -0.7375 -0.5596 -0.4938 0.6656 0.5773 -0.8085 -0.1145 112.103 110.837 131.150 D 141 GLY A 124 GLY.? D 144 GLU B 5 GLU~? D 164 GLU A 123 GLU.? ULMNm 3 1nu3_c00 LIMONENE-1,2-EPOXIDE HYDROLASE user 1 3 RMSD = 1.16 A TRANSFORM -0.9265 -0.3733 -0.0474 -0.3749 0.9265 0.0306 -0.0325 -0.0461 0.9984 57.293 17.970 7.655 A 99 ARG A 24 ARG~? A 101 ASP A 73 ASP.? A 132 ASP B 9 ASP~? ULMNm 3 1qrz_c22 PLASMINOGEN user 2 3 RMSD = 1.16 A TRANSFORM 0.6630 0.4102 0.6263 -0.6010 -0.2072 0.7719 -0.4464 0.8882 -0.1091 -39.064 18.638 9.200 C 603 HIS B 76 HIS.? C 646 ASP B 75 ASP.? C 739 GLY B 16 GLY~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 2 3 RMSD = 1.16 A TRANSFORM 0.6380 0.6402 0.4279 0.7696 -0.5498 -0.3247 -0.0273 -0.5364 0.8435 0.571 16.498 8.980 A 229 ALA A 67 ALA~? A 257 ALA A 70 ALA~? A 328 ASP B 9 ASP~? ULMNm 3 1qol_c02 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 2 3 RMSD = 1.17 A TRANSFORM 0.8285 0.0444 -0.5583 0.3162 -0.8598 0.4009 0.4622 0.5086 0.7264 -61.250 -16.215 -7.064 C 51 ALA B 129 ALA~? C 148 HIS B 76 HIS.? C 163 ASP A 73 ASP.? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.17 A TRANSFORM -0.0428 0.9935 0.1052 -0.3466 -0.1135 0.9311 -0.9370 -0.0034 -0.3492 69.989 96.170 201.324 E 141 GLY A 124 GLY.? E 144 GLU B 5 GLU~? E 164 GLU A 123 GLU.? ULMNm 3 2wwt_o04 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 RMSD = 1.18 A TRANSFORM 0.2769 0.8058 0.5234 0.9578 -0.2751 -0.0833 -0.0769 -0.5244 0.8480 -69.728 -5.626 27.305 E 49 ASP A 73 ASP.? E 86 HIS B 76 HIS.? E 250 ALA B 129 ALA~? ULMNm 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 RMSD = 1.18 A TRANSFORM 0.8795 0.3794 0.2873 0.4647 -0.8146 -0.3471 -0.1024 -0.4388 0.8927 -26.660 -24.779 32.472 A 49 ASP A 73 ASP.? A 86 HIS B 76 HIS.? A 250 ALA B 129 ALA~? ULMNm 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 RMSD = 1.18 A TRANSFORM 0.8795 0.3794 0.2873 0.4647 -0.8146 -0.3471 -0.1024 -0.4388 0.8927 -26.660 -24.779 32.472 A 49 ASP A 73 ASP.? A 86 HIS B 76 HIS.? A 250 ALA B 129 ALA~? ULMNm 3 1fr8_c01 BETA 1,4 GALACTOSYLTRANSFERASE user 8 3 RMSD = 1.19 A TRANSFORM -0.0604 0.6611 -0.7479 -0.9245 0.2454 0.2916 -0.3763 -0.7091 -0.5964 1.190 42.248 67.071 B 317 GLU B 5 GLU~? B 319 ASP B 9 ASP~? B 359 ARG B 13 ARG~? ULMNm 3 1qol_c03 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 2 3 RMSD = 1.20 A TRANSFORM -0.8399 -0.0122 0.5425 0.2758 -0.8706 0.4074 -0.4674 -0.4918 -0.7346 28.542 -14.419 83.582 D 51 ALA B 129 ALA~? D 148 HIS B 76 HIS.? D 163 ASP A 73 ASP.? ULMNm 3 1qol_c06 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.24 A TRANSFORM 0.2115 -0.9105 0.3553 0.8992 0.0389 -0.4359 -0.3830 -0.4116 -0.8269 -25.099 -49.464 8.607 G 51 ALA B 129 ALA~? G 148 HIS B 76 HIS.? G 163 ASP A 73 ASP.? ULMNm 3 1qol_c00 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 2 3 RMSD = 1.24 A TRANSFORM -0.8657 0.3645 0.3432 -0.0121 0.6702 -0.7421 0.5005 0.6465 0.5758 30.228 7.238 -10.424 A 51 ALA B 129 ALA~? A 148 HIS B 76 HIS.? A 163 ASP A 73 ASP.? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 7 3 RMSD = 1.24 A TRANSFORM -0.1377 -0.6768 -0.7232 0.7185 0.4343 -0.5432 -0.6818 0.5944 -0.4265 72.497 58.435 41.660 229 ASP A 134 ASP~? 264 GLU A 88 GLU~? 328 ASP A 127 ASP~? ULMNm 3 1fr8_c00 BETA 1,4 GALACTOSYLTRANSFERASE user 7 3 RMSD = 1.26 A TRANSFORM -0.7652 -0.5647 -0.3093 -0.6404 0.6181 0.4559 0.0663 -0.5469 0.8346 51.489 24.494 23.218 A 317 GLU B 5 GLU~? A 319 ASP B 9 ASP~? A 359 ARG B 13 ARG~? ULMNm 3 2wwt_o05 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 RMSD = 1.26 A TRANSFORM -0.8537 -0.3569 -0.3792 0.4790 -0.8239 -0.3030 0.2043 0.4403 -0.8743 -37.224 11.248 24.083 F 49 ASP A 73 ASP.? F 86 HIS B 76 HIS.? F 250 ALA B 129 ALA~? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 10 3 RMSD = 1.27 A TRANSFORM -0.5289 -0.2345 -0.8157 -0.8428 0.0319 0.5373 0.1000 -0.9716 0.2145 72.053 118.268 62.583 229 ASP B 127 ASP~? 264 GLU A 88 GLU~? 328 ASP A 75 ASP.? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 14 3 RMSD = 1.27 A TRANSFORM 0.6628 0.6116 -0.4320 -0.3341 0.7579 0.5604 -0.6701 0.2270 -0.7067 2.241 88.286 63.625 229 ASP B 134 ASP~? 264 GLU B 88 GLU~? 328 ASP B 127 ASP~? ULMNm 3 1kim_c00 THYMIDINE KINASE user 6 3 RMSD = 1.29 A TRANSFORM -0.2329 -0.1168 0.9654 -0.9285 0.3219 -0.1851 0.2892 0.9395 0.1835 61.056 88.158 17.800 A 83 GLU A 152 GLU~? A 163 ARG A 84 ARG~? A 222 ARG A 148 ARG~? ULMNm 3 1qrz_c20 PLASMINOGEN user 2 3 RMSD = 1.30 A TRANSFORM 0.6102 -0.7304 0.3069 0.6104 0.1866 -0.7698 -0.5050 -0.6571 -0.5597 -32.848 -24.863 73.039 A 603 HIS B 76 HIS.? A 646 ASP B 75 ASP.? A 739 GLY B 16 GLY~? ULMNm 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 9 3 RMSD = 1.31 A TRANSFORM 0.9519 0.1386 -0.2733 -0.2813 0.7488 -0.6001 -0.1215 -0.6482 -0.7518 -20.495 53.274 55.943 179 ASP A 134 ASP~? 214 ASP B 134 ASP~? 289 ASP A 127 ASP~? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 4 3 RMSD = 1.31 A TRANSFORM -0.8195 -0.5690 0.0684 -0.5712 0.8010 -0.1792 -0.0472 0.1859 0.9814 97.642 -94.733 -132.126 A 420 ALA B 85 ALA~? B 182 GLY B 125 GLY.? B 183 GLY B 124 GLY.? ULMNm 3 1qol_c01 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 2 3 RMSD = 1.32 A TRANSFORM 0.8554 -0.3645 -0.3681 -0.0676 0.6259 -0.7770 -0.5136 -0.6895 -0.5107 -62.212 10.983 87.816 B 51 ALA B 129 ALA~? B 148 HIS B 76 HIS.? B 163 ASP A 73 ASP.? ULMNm 3 1qrz_c23 PLASMINOGEN user 2 3 RMSD = 1.32 A TRANSFORM 0.6388 0.3845 0.6664 -0.6210 -0.2537 0.7416 -0.4542 0.8876 -0.0767 -91.725 20.975 47.606 D 603 HIS B 76 HIS.? D 646 ASP B 75 ASP.? D 739 GLY B 16 GLY~? ULMNm 3 1b6g_c00 HALOALKANE DEHALOGENASE user 1 3 RMSD = 1.33 A TRANSFORM -0.6005 -0.1774 -0.7797 0.3786 0.7958 -0.4726 -0.7043 0.5790 0.4108 62.756 -2.301 40.898 124 ASP A 73 ASP.? 260 ASP B 127 ASP~? 289 HIS B 76 HIS.? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 RMSD = 1.33 A TRANSFORM -0.1882 0.8124 0.5519 0.1154 0.5764 -0.8090 0.9753 0.0886 0.2022 27.227 -119.886 -161.533 A 420 ALA A 85 ALA~? B 182 GLY A 125 GLY.? B 183 GLY A 124 GLY.? ULMNm 3 1rgq_c01 NS4A PEPTIDE user 5 3 RMSD = 1.34 A TRANSFORM 0.3935 -0.8322 -0.3906 -0.7990 -0.0994 -0.5931 -0.4548 -0.5455 0.7040 23.186 56.344 11.956 B 60 HIS B 76 HIS.? B 84 ASP B 127 ASP~? B 140 GLY A 74 GLY.? ULMNm 3 1qol_c05 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 2 3 RMSD = 1.34 A TRANSFORM -0.0335 0.6632 -0.7477 -0.7788 0.4515 0.4354 -0.6264 -0.5969 -0.5014 -5.496 39.064 22.363 F 51 ALA B 129 ALA~? F 148 HIS B 76 HIS.? F 163 ASP A 73 ASP.? ULMNm 3 1uk7_c00 3.07.01.0009 user 1 3 RMSD = 1.35 A TRANSFORM -0.1493 0.5797 -0.8010 -0.7472 0.4644 0.4754 -0.6476 -0.6695 -0.3638 5.724 64.426 35.044 A 103 ALA B 129 ALA~? A 224 ASP A 73 ASP.? A 252 HIS B 76 HIS.? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.35 A TRANSFORM 0.6927 0.6543 -0.3033 -0.2253 0.5958 0.7709 -0.6852 0.4657 -0.5601 51.209 110.938 163.196 B 141 GLY A 124 GLY.? B 144 GLU A 123 GLU.? B 164 GLU B 5 GLU~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 2 3 RMSD = 1.35 A TRANSFORM 0.2587 0.5384 0.8020 0.7832 -0.6028 0.1520 -0.5653 -0.5888 0.5777 -30.466 2.146 36.005 141 ASP A 9 ASP~? 166 GLY A 125 GLY.? 169 GLU A 88 GLU~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 17 3 RMSD = 1.36 A TRANSFORM 0.3814 0.6745 0.6321 -0.9027 0.4190 0.0976 0.1990 0.6078 -0.7687 -32.873 43.808 -13.769 141 ASP B 73 ASP.? 166 GLY B 4 GLY~? 169 GLU B 58 GLU~? ULMNm 3 1i19_c00 CHOLESTEROL OXIDASE user 1 3 RMSD = 1.36 A TRANSFORM -0.8007 -0.5482 -0.2414 0.1949 -0.6195 0.7604 0.5664 -0.5618 -0.6029 44.836 45.048 78.134 A 311 GLU A 57 GLU~? A 475 GLU A 58 GLU~? A 477 ARG A 55 ARG~? ULMNm 3 1foh_c02 PHENOL HYDROXYLASE user 3 3 RMSD = 1.37 A TRANSFORM 0.3202 -0.8488 0.4209 -0.3927 -0.5232 -0.7563 -0.8621 -0.0769 0.5008 39.304 118.295 90.954 C 54 ASP B 73 ASP.? C 281 ARG B 24 ARG~? C 289 TYR B 69 TYR~? ULMNm 3 1qol_c04 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.37 A TRANSFORM -0.0610 0.6724 -0.7377 0.7849 -0.4242 -0.4516 0.6166 0.6066 0.5019 -4.380 -40.261 -84.334 E 51 ALA B 129 ALA~? E 148 HIS B 76 HIS.? E 163 ASP A 73 ASP.? ULMNm 3 1foh_c01 PHENOL HYDROXYLASE user 3 3 RMSD = 1.37 A TRANSFORM -0.6256 0.7253 -0.2875 -0.1198 -0.4535 -0.8832 0.7709 0.5181 -0.3706 111.033 107.028 49.662 B 54 ASP B 73 ASP.? B 281 ARG B 24 ARG~? B 289 TYR B 69 TYR~? ULMNm 3 1asy_c01 TRANSFER RIBONUCLEIC ACID (TRNAASP) user 15 3 RMSD = 1.38 A TRANSFORM 0.4123 0.4993 -0.7620 -0.8265 -0.1469 -0.5435 0.3833 -0.8539 -0.3521 33.812 98.654 -20.185 A 325 ARG B 84 ARG~? A 342 ASP B 134 ASP~? A 531 ARG B 151 ARG~? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 1.38 A TRANSFORM 0.3126 -0.8518 -0.4204 -0.3016 -0.5087 0.8064 0.9007 0.1253 0.4160 49.560 -79.780 -159.843 A 420 ALA A 85 ALA~? B 182 GLY A 124 GLY.? B 183 GLY A 125 GLY.? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 7 3 RMSD = 1.39 A TRANSFORM 0.1916 -0.0237 -0.9812 0.7442 0.6553 0.1295 -0.6399 0.7550 -0.1432 46.897 -47.807 38.181 A 67 ASP B 73 ASP.? A 68 ALA B 70 ALA~? A 72 LEU B 71 LEU~? ULMNm 3 1foh_c00 PHENOL HYDROXYLASE user 3 3 RMSD = 1.39 A TRANSFORM -0.9459 0.2869 0.1515 0.2547 0.3675 0.8944 -0.2009 -0.8846 0.4207 97.061 7.860 72.788 A 54 ASP B 73 ASP.? A 281 ARG B 24 ARG~? A 289 TYR B 69 TYR~? ULMNm 3 1bd3_c03 URACIL PHOSPHORIBOSYLTRANSFERASE user 1 3 RMSD = 1.39 A TRANSFORM 0.5847 0.7986 0.1428 0.2783 -0.3628 0.8894 -0.7621 0.4802 0.4343 -28.987 72.072 112.434 B 137 ARG A 80 ARG.? B 141 THR A 81 THR~? B 235 ASP B 127 ASP~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 7 3 RMSD = 1.39 A TRANSFORM -0.9552 -0.0496 0.2919 0.0759 -0.9939 0.0794 -0.2862 -0.0980 -0.9531 34.775 36.126 14.604 141 ASP A 127 ASP~? 166 GLY B 79 GLY.? 169 GLU B 88 GLU~? ULMNm 3 1b6g_c00 HALOALKANE DEHALOGENASE user 4 3 RMSD = 1.40 A TRANSFORM -0.6622 0.7027 0.2602 -0.5755 -0.6993 0.4240 -0.4799 -0.1311 -0.8675 42.743 69.322 50.839 124 ASP B 127 ASP~? 260 ASP A 73 ASP.? 289 HIS B 76 HIS.? ULMNm 3 3qrf_d00 DNA BINDING PROTEIN/DNA user 2 3 RMSD = 1.40 A TRANSFORM 0.6246 0.7625 -0.1687 -0.7473 0.6463 0.1543 -0.2267 -0.0297 -0.9735 57.492 75.782 31.507 G 386 ARG B 137 ARG~? G 387 HIS B 144 HIS~? G 390 SER B 140 SER.? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 3 3 RMSD = 1.40 A TRANSFORM 0.8677 0.4877 0.0962 0.4893 -0.8721 0.0084 -0.0880 -0.0398 0.9953 -18.288 -102.951 -123.783 A 420 ALA B 85 ALA~? B 182 GLY B 124 GLY.? B 183 GLY B 125 GLY.? ULMNm 3 1oyg_c00 LEVANSUCRASE user 4 3 RMSD = 1.40 A TRANSFORM -0.0494 0.6970 -0.7154 0.0605 0.7170 0.6944 -0.9969 0.0090 0.0776 28.894 19.096 53.152 A 86 ASP B 127 ASP~? A 247 ASP B 133 ASP~? A 342 GLU B 5 GLU~? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.40 A TRANSFORM -0.7951 -0.5618 0.2286 0.2101 -0.6086 -0.7652 -0.5690 0.5604 -0.6019 95.920 74.919 159.950 F 141 GLY A 124 GLY.? F 144 GLU A 123 GLU.? F 164 GLU B 5 GLU~? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 3 3 RMSD = 1.41 A TRANSFORM 0.4467 0.8737 -0.1925 0.8752 -0.4714 -0.1087 0.1857 0.1199 0.9753 6.626 62.322 32.858 229 ASP A 75 ASP.? 264 GLU B 88 GLU~? 328 ASP B 127 ASP~? ULMNm 3 1do8_c02 MALIC ENZYME user 2 3 RMSD = 1.41 A TRANSFORM -0.2371 0.6802 -0.6936 -0.4942 0.5302 0.6889 -0.8364 -0.5061 -0.2105 80.655 -6.566 60.264 C 112 TYR B 69 TYR~? C 183 LYS B 12 LYS~? C 278 ASP A 73 ASP.? ULMNm 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 9 3 RMSD = 1.41 A TRANSFORM -0.0563 0.0622 0.9965 -0.9273 0.3667 -0.0753 0.3701 0.9283 -0.0370 52.909 66.293 -21.292 199 ASP B 127 ASP~? 242 GLU B 142 GLU.? 329 ASP A 73 ASP.? ULMNm 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 1 3 RMSD = 1.41 A TRANSFORM 0.5125 -0.5073 -0.6928 0.7438 0.6654 0.0630 -0.4290 0.5476 -0.7183 -3.542 21.772 33.923 179 ASP A 75 ASP.? 227 GLU A 88 GLU~? 289 ASP B 127 ASP~? ULMNm 3 1oyg_c00 LEVANSUCRASE user 2 3 RMSD = 1.42 A TRANSFORM -0.4566 -0.0549 -0.8880 0.8851 0.0735 -0.4596 -0.0905 0.9958 -0.0150 60.069 11.987 -18.794 A 86 ASP A 127 ASP~? A 247 ASP A 133 ASP~? A 342 GLU A 5 GLU~? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.42 A TRANSFORM -0.2870 0.9355 -0.2060 0.3373 -0.1025 -0.9358 0.8966 0.3381 0.2862 78.703 69.711 134.632 E 141 GLY A 124 GLY.? E 144 GLU A 123 GLU.? E 164 GLU B 5 GLU~? ULMNm 3 1kim_c00 THYMIDINE KINASE user 8 3 RMSD = 1.43 A TRANSFORM 0.3811 0.3332 -0.8624 0.5495 -0.8318 -0.0785 0.7435 0.4440 0.5001 32.597 95.439 24.812 A 83 GLU A 152 GLU~? A 163 ARG A 148 ARG~? A 222 ARG A 84 ARG~? ULMNm 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 6 3 RMSD = 1.43 A TRANSFORM 0.7380 -0.2341 -0.6329 -0.5124 -0.8047 -0.2999 0.4391 -0.5456 0.7138 -1.845 107.675 34.113 179 ASP A 133 ASP~? 214 ASP B 75 ASP.? 289 ASP A 127 ASP~? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.43 A TRANSFORM 0.6847 -0.0284 0.7283 0.6729 -0.3592 -0.6467 -0.2800 -0.9328 0.2268 66.395 64.675 162.809 D 141 GLY A 124 GLY.? D 144 GLU A 123 GLU.? D 164 GLU B 5 GLU~? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.43 A TRANSFORM -0.7204 -0.1568 -0.6756 -0.6737 0.3895 0.6280 -0.1647 -0.9076 0.3863 81.388 119.867 161.937 C 141 GLY A 124 GLY.? C 144 GLU A 123 GLU.? C 164 GLU B 5 GLU~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 2 3 RMSD = 1.44 A TRANSFORM -0.9994 0.0294 0.0187 -0.0261 -0.9869 0.1592 -0.0232 -0.1586 -0.9871 51.884 56.353 54.909 A 316 ALA A 129 ALA~? A 317 GLY A 4 GLY~? A 318 ASP A 133 ASP~? ULMNm 3 1foh_c03 PHENOL HYDROXYLASE user 3 3 RMSD = 1.44 A TRANSFORM 0.8451 -0.5247 0.1023 0.3111 0.6384 0.7041 0.4347 0.5632 -0.7027 40.482 6.668 78.841 D 54 ASP B 73 ASP.? D 281 ARG B 24 ARG~? D 289 TYR B 69 TYR~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 4 3 RMSD = 1.44 A TRANSFORM -0.1567 -0.3307 -0.9307 0.9752 -0.2010 -0.0927 0.1564 0.9221 -0.3539 38.880 -13.022 18.387 A 316 ALA B 129 ALA~? A 317 GLY B 4 GLY~? A 318 ASP B 133 ASP~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 1 3 RMSD = 1.45 A TRANSFORM -0.9462 -0.2151 -0.2417 0.3216 -0.7071 -0.6297 0.0355 0.6736 -0.7383 89.800 15.557 7.572 A 67 ASP A 73 ASP.? A 68 ALA A 70 ALA~? A 72 LEU A 71 LEU~? ULMNm 3 1do8_c00 MALIC ENZYME user 2 3 RMSD = 1.46 A TRANSFORM 0.2220 -0.3798 0.8980 0.5119 0.8293 0.2242 0.8299 -0.4100 -0.3785 8.754 -22.791 11.555 A 112 TYR B 69 TYR~? A 183 LYS B 12 LYS~? A 278 ASP A 73 ASP.? ULMNm 3 1i19_c01 CHOLESTEROL OXIDASE user 1 3 RMSD = 1.46 A TRANSFORM 0.7739 0.5707 0.2747 0.6321 -0.7229 -0.2790 -0.0393 -0.3896 0.9202 10.157 45.175 77.798 B 311 GLU A 57 GLU~? B 475 GLU A 58 GLU~? B 477 ARG A 55 ARG~? ULMNm 3 1xqw_c00 PROLINE IMINOPEPTIDASE user 1 3 RMSD = 1.47 A TRANSFORM -0.0261 -0.9948 -0.0987 0.6783 -0.0901 0.7292 0.7343 0.0479 -0.6771 34.713 -22.185 -24.309 A 105 ALA B 129 ALA~? A 244 ASP A 73 ASP.? A 271 HIS B 76 HIS.? ULMNm 3 1qho_c05 ALPHA-AMYLASE user 6 3 RMSD = 1.47 A TRANSFORM -0.2852 -0.3931 0.8741 -0.8389 -0.3387 -0.4260 -0.4636 0.8548 0.2332 52.065 113.342 27.539 A 228 ASP B 127 ASP~? A 261 ASP A 127 ASP~? A 329 ASP A 73 ASP.? ULMNm 3 1lij_c01 ADENOSINE KINASE user 2 3 RMSD = 1.47 A TRANSFORM 0.7009 0.4566 0.5479 -0.6640 0.1373 0.7350 -0.2604 0.8790 -0.3994 106.594 25.113 -24.210 A 316 ALA A 129 ALA~? A 317 GLY A 4 GLY~? A 318 ASP A 133 ASP~? ULMNm 3 1do8_c03 MALIC ENZYME user 2 3 RMSD = 1.48 A TRANSFORM 0.6945 -0.5526 0.4607 -0.5035 -0.8307 -0.2375 -0.5140 0.0670 0.8552 7.851 21.724 14.663 D 112 TYR B 69 TYR~? D 183 LYS B 12 LYS~? D 278 ASP A 73 ASP.? ULMNm 3 1kim_c00 THYMIDINE KINASE user 10 3 RMSD = 1.48 A TRANSFORM 0.6481 -0.3617 -0.6702 0.6002 0.7843 0.1570 -0.4688 0.5040 -0.7254 14.288 52.077 64.693 A 83 GLU B 57 GLU~? A 163 ARG B 55 ARG~? A 222 ARG B 108 ARG.? ULMNm 3 1lij_c01 ADENOSINE KINASE user 4 3 RMSD = 1.48 A TRANSFORM -0.3659 -0.2800 0.8875 -0.2234 -0.8994 -0.3758 -0.9034 0.3358 -0.2666 164.916 43.093 26.704 A 316 ALA B 129 ALA~? A 317 GLY B 4 GLY~? A 318 ASP B 133 ASP~? ULMNm 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 4 3 RMSD = 1.48 A TRANSFORM -0.5254 0.5712 0.6307 -0.7592 0.0199 -0.6505 0.3841 0.8206 -0.4232 60.767 65.385 -20.361 199 ASP B 127 ASP~? 242 GLU B 57 GLU~? 329 ASP A 75 ASP.? ULMNm 3 1kim_c00 THYMIDINE KINASE user 7 3 RMSD = 1.48 A TRANSFORM -0.6925 0.4535 0.5610 -0.7213 -0.4241 -0.5476 0.0104 0.7839 -0.6208 51.943 104.752 25.070 A 83 GLU A 152 GLU~? A 163 ARG A 84 ARG~? A 222 ARG A 151 ARG~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 2 3 RMSD = 1.48 A TRANSFORM 0.8829 -0.1120 -0.4559 0.3564 -0.4722 0.8062 0.3056 0.8743 0.3770 11.249 -15.474 -44.251 A 250 ALA A 129 ALA~? A 251 GLY A 4 GLY~? A 252 ASP A 133 ASP~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 4 3 RMSD = 1.49 A TRANSFORM 0.2251 0.7042 0.6733 0.5104 -0.6739 0.5342 -0.8299 -0.2234 0.5112 5.500 -24.727 34.479 A 250 ALA B 129 ALA~? A 251 GLY B 4 GLY~? A 252 ASP B 133 ASP~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 2 3 RMSD = 1.49 A TRANSFORM -0.1636 0.4144 -0.8953 -0.7820 0.4988 0.3738 -0.6014 -0.7613 -0.2424 13.201 -22.160 -5.234 B 250 ALA A 129 ALA~? B 251 GLY A 4 GLY~? B 252 ASP A 133 ASP~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 4 3 RMSD = 1.49 A TRANSFORM -0.4283 0.8162 -0.3879 -0.5956 -0.5777 -0.5581 0.6796 0.0080 -0.7335 18.997 11.693 -76.910 B 250 ALA B 129 ALA~? B 251 GLY B 4 GLY~? B 252 ASP B 133 ASP~? ULMNm 3 1do8_c01 MALIC ENZYME user 2 3 RMSD = 1.49 A TRANSFORM -0.7109 0.2199 -0.6681 0.4824 -0.5388 -0.6907 0.5118 0.8132 -0.2769 94.489 6.705 20.897 B 112 TYR B 69 TYR~? B 183 LYS B 12 LYS~? B 278 ASP A 73 ASP.?