*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 4 1a0j_c09 TRYPSIN user 1 4 RMSD = 1.46 A TRANSFORM 0.5692 -0.5540 -0.6076 -0.6955 0.0697 -0.7152 -0.4386 -0.8296 0.3456 52.731 54.591 97.675 B 57 HIS A 136 HIS~? B 102 ASP A 135 ASP~? B 195 SER A 130 SER~? B 196 GLY A 133 GLY~? ULMNm 4 1n8o_c01 CHYMOTRYPSIN A, B CHAIN user 1 4 RMSD = 1.48 A TRANSFORM 0.0677 0.9325 0.3547 0.6046 0.2445 -0.7581 0.7937 -0.2658 0.5472 -6.589 -32.916 15.689 B 57 HIS A 136 HIS~? B 102 ASP A 135 ASP~? C 195 SER A 130 SER~? C 196 GLY A 133 GLY~? ULMNm 4 1a0j_c11 TRYPSIN user 1 4 RMSD = 1.48 A TRANSFORM 0.7174 0.6966 0.0060 -0.1394 0.1521 -0.9785 0.6825 -0.7011 -0.2063 -35.670 7.976 109.658 D 57 HIS A 136 HIS~? D 102 ASP A 135 ASP~? D 195 SER A 130 SER~? D 196 GLY A 133 GLY~? ULMNm 4 1a0j_c08 TRYPSIN user 1 4 RMSD = 1.50 A TRANSFORM -0.3915 -0.3117 0.8658 0.5955 0.6314 0.4966 0.7015 -0.7100 0.0615 49.969 4.431 76.558 A 57 HIS A 136 HIS~? A 102 ASP A 135 ASP~? A 195 SER A 130 SER~? A 196 GLY A 133 GLY~? ULMNm 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 0.74 A TRANSFORM 0.3230 -0.6938 -0.6437 -0.9355 -0.1312 -0.3280 -0.1431 -0.7081 0.6914 62.583 -46.388 -120.263 A 183 GLY A 208 GLY.? B 419 GLY A 206 GLY.? B 420 ALA A 205 ALA.? ULMNm 3 1un1_c00 XYLOGLUCAN ENDOTRANSGLYCOSYLASE user 2 3 RMSD = 1.04 A TRANSFORM -0.8686 -0.4897 0.0757 -0.4863 0.8718 0.0593 0.0950 -0.0147 0.9954 54.813 107.433 -10.519 A 85 GLU A 68 GLU^? A 87 ASP A 59 ASP.? A 89 GLU A 30 GLU~? ULMNm 3 2ayh_c00 1,3-1,4-BETA-D-GLUCAN 4 GLUCANOHYDROuser 1 3 RMSD = 1.04 A TRANSFORM -0.1735 0.3855 0.9063 -0.9708 -0.2219 -0.0915 -0.1658 0.8956 -0.4127 0.715 35.923 -24.092 105 GLU A 68 GLU^? 107 ASP A 59 ASP.? 109 GLU A 30 GLU~? ULMNm 3 1un1_c01 XYLOGLUCAN ENDOTRANSGLYCOSYLASE user 2 3 RMSD = 1.09 A TRANSFORM -0.9961 0.0123 0.0871 0.0014 0.9923 -0.1239 0.0880 0.1233 0.9885 31.974 137.037 -4.187 B 85 GLU A 68 GLU^? B 87 ASP A 59 ASP.? B 89 GLU A 30 GLU~? ULMNm 3 1vzz_c01 STEROID DELTA-ISOMERASE user 1 3 RMSD = 1.10 A TRANSFORM 0.3883 -0.9121 0.1314 0.6730 0.1832 -0.7166 -0.6296 -0.3667 -0.6850 45.469 -1.710 58.958 B 16 TYR A 129 TYR~? B 40 ASP A 59 ASP.? B 103 LEU A 139 LEU.? ULMNm 3 1vzz_c00 STEROID DELTA-ISOMERASE user 1 3 RMSD = 1.12 A TRANSFORM 0.5181 -0.8209 0.2403 -0.6650 -0.2099 0.7168 0.5379 0.5312 0.6546 38.041 38.995 -16.331 A 16 TYR A 129 TYR~? A 40 ASP A 59 ASP.? A 103 LEU A 139 LEU.? ULMNm 3 2r11_o02 CARBOXYLESTERASE NP user 6 3 RMSD = 1.21 A TRANSFORM 0.1562 -0.8220 -0.5477 0.9858 0.1646 0.0342 -0.0621 0.5452 -0.8360 32.354 33.421 35.104 C 130 SER A 171 SER^? C 166 PHE A 192 PHE~? C 182 PHE A 37 PHE~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 1 3 RMSD = 1.22 A TRANSFORM 0.1953 0.2979 -0.9344 0.3975 0.8470 0.3531 -0.8966 0.4404 -0.0470 68.340 -21.020 17.236 A 67 ASP A 5 ASP~? A 68 ALA A 4 ALA~? A 72 LEU A 7 LEU~? ULMNm 3 1ct9_c04 ASPARAGINE SYNTHETASE B user 1 3 RMSD = 1.23 A TRANSFORM 0.2338 0.9519 -0.1983 0.6650 -0.3053 -0.6816 0.7093 -0.0275 0.7043 -25.472 79.553 106.973 A 1 ALA A 14 ALA~? A 74 ASN A 146 ASN^? A 75 GLY A 176 GLY.? ULMNm 3 2cpu_c01 ALPHA-AMYLASE user 2 3 RMSD = 1.24 A TRANSFORM 0.8853 0.3976 -0.2410 -0.4573 0.6513 -0.6055 0.0838 -0.6463 -0.7584 -0.592 12.155 69.932 A 197 ASP A 74 ASP.? A 233 GLU A 75 GLU.? A 300 ASN A 18 ASN~? ULMNm 3 1ct9_c05 ASPARAGINE SYNTHETASE B user 1 3 RMSD = 1.27 A TRANSFORM 0.8753 0.4223 -0.2355 0.4643 -0.5983 0.6530 -0.1348 0.6809 0.7198 26.985 17.032 -3.201 B 1 ALA A 14 ALA~? B 74 ASN A 146 ASN^? B 75 GLY A 176 GLY.? ULMNm 3 1ct9_c06 ASPARAGINE SYNTHETASE B user 1 3 RMSD = 1.28 A TRANSFORM -0.6091 -0.1384 0.7809 -0.1389 0.9881 0.0669 0.7809 0.0677 0.6210 9.336 -12.277 19.307 C 1 ALA A 14 ALA~? C 74 ASN A 146 ASN^? C 75 GLY A 176 GLY.? ULMNm 3 1d6o_c00 FK506-BINDING PROTEIN user 1 3 RMSD = 1.28 A TRANSFORM 0.1274 0.9899 -0.0623 -0.8347 0.1409 0.5323 -0.5357 0.0158 -0.8442 13.810 0.213 2.161 A 37 ASP A 59 ASP.? A 56 ILE A 134 ILE.? A 82 TYR A 129 TYR~? ULMNm 3 1d6o_c01 FK506-BINDING PROTEIN user 1 3 RMSD = 1.29 A TRANSFORM 0.1324 0.9890 -0.0653 -0.8177 0.1462 0.5568 -0.5603 0.0203 -0.8281 16.666 -16.639 -25.394 B 37 ASP A 59 ASP.? B 56 ILE A 134 ILE.? B 82 TYR A 129 TYR~? ULMNm 3 2r11_o00 CARBOXYLESTERASE NP user 4 3 RMSD = 1.29 A TRANSFORM -0.6924 0.7017 0.1676 0.1205 -0.1166 0.9858 -0.7113 -0.7028 0.0038 -60.154 33.552 127.372 A 130 SER A 171 SER^? A 166 PHE A 67 PHE^? A 182 PHE A 192 PHE~? ULMNm 3 2r11_o02 CARBOXYLESTERASE NP user 5 3 RMSD = 1.30 A TRANSFORM 0.9885 -0.0781 -0.1296 -0.1193 0.1247 -0.9850 -0.0931 -0.9891 -0.1140 -20.987 67.571 94.738 C 130 SER A 171 SER^? C 166 PHE A 67 PHE^? C 182 PHE A 192 PHE~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 5 3 RMSD = 1.34 A TRANSFORM -0.4946 0.1277 -0.8597 -0.8615 0.0584 0.5043 -0.1147 -0.9901 -0.0812 70.350 14.518 43.747 A 67 ASP A 153 ASP^? A 68 ALA A 111 ALA~? A 72 LEU A 114 LEU~? ULMNm 3 1ct9_c07 ASPARAGINE SYNTHETASE B user 1 3 RMSD = 1.35 A TRANSFORM 0.0068 -0.6619 0.7496 -0.9985 -0.0457 -0.0313 -0.0549 0.7482 0.6612 -8.685 49.290 84.545 D 1 ALA A 14 ALA~? D 74 ASN A 146 ASN^? D 75 GLY A 176 GLY.? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 1 3 RMSD = 1.35 A TRANSFORM -0.9543 0.0247 0.2978 0.2929 0.2759 0.9155 0.0595 -0.9609 0.2705 43.829 25.026 -14.221 D 465 GLY A 198 GLY.? D 501 ASP A 204 ASP.? E 367 TYR A 129 TYR~? ULMNm 3 2r11_o00 CARBOXYLESTERASE NP user 2 3 RMSD = 1.36 A TRANSFORM -0.8106 0.1977 0.5512 0.5785 0.4162 0.7015 0.0907 -0.8875 0.4518 -39.573 3.252 113.660 A 130 SER A 171 SER^? A 166 PHE A 37 PHE~? A 182 PHE A 192 PHE~? ULMNm 3 2r11_o02 CARBOXYLESTERASE NP user 2 3 RMSD = 1.36 A TRANSFORM 0.5567 0.4251 -0.7137 -0.5834 -0.4115 -0.7002 0.5914 -0.8062 -0.0190 -27.701 98.144 71.132 C 130 SER A 171 SER^? C 166 PHE A 37 PHE~? C 182 PHE A 192 PHE~? ULMNm 3 2r11_o02 CARBOXYLESTERASE NP user 9 3 RMSD = 1.36 A TRANSFORM 0.8081 -0.5289 0.2592 0.0800 -0.3374 -0.9380 -0.5835 -0.7787 0.2303 -1.739 84.886 89.402 C 130 SER A 173 SER^? C 166 PHE A 67 PHE^? C 182 PHE A 192 PHE~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 4 3 RMSD = 1.38 A TRANSFORM -0.7120 0.2826 -0.6428 -0.3068 0.6982 0.6468 -0.6316 -0.6577 0.4105 67.928 -13.557 37.472 A 67 ASP A 153 ASP^? A 68 ALA A 110 ALA^? A 72 LEU A 114 LEU~? ULMNm 3 1qrz_c21 PLASMINOGEN user 1 3 RMSD = 1.38 A TRANSFORM 0.1471 0.5645 0.8122 -0.3760 0.7914 -0.4819 0.9149 0.2345 -0.3287 -80.700 -17.209 -37.836 B 603 HIS A 186 HIS.? B 646 ASP A 140 ASP^? B 739 GLY A 198 GLY.? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 1 3 RMSD = 1.38 A TRANSFORM -0.8226 -0.2452 -0.5130 0.5580 -0.1747 -0.8112 -0.1093 0.9536 -0.2806 47.232 29.857 -49.941 A 465 GLY A 198 GLY.? A 501 ASP A 204 ASP.? B 367 TYR A 129 TYR~? ULMNm 3 1qrz_c22 PLASMINOGEN user 1 3 RMSD = 1.39 A TRANSFORM -0.8332 -0.0207 0.5526 0.3323 -0.8175 0.4704 -0.4420 -0.5756 -0.6880 22.844 13.303 48.939 C 603 HIS A 186 HIS.? C 646 ASP A 140 ASP^? C 739 GLY A 198 GLY.? ULMNm 3 1xs1_c07 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 6 3 RMSD = 1.41 A TRANSFORM 0.2814 -0.9195 -0.2743 -0.9249 -0.1837 -0.3330 -0.2558 -0.3474 0.9021 20.907 29.439 27.687 B 124 ALA A 116 ALA~? B 126 ARG A 123 ARG~? B 138 GLU A 113 GLU~? ULMNm 3 1xs1_c10 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 4 3 RMSD = 1.41 A TRANSFORM -0.9204 0.3362 -0.1993 -0.2047 -0.8490 -0.4872 0.3330 0.4076 -0.8503 7.036 38.400 50.587 E 124 ALA A 116 ALA~? E 126 ARG A 123 ARG~? E 138 GLU A 113 GLU~? ULMNm 3 1xs1_c11 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 6 3 RMSD = 1.42 A TRANSFORM 0.6331 0.6053 0.4824 -0.6914 0.7225 0.0008 0.3481 0.3341 -0.8759 -42.075 -5.372 52.845 F 124 ALA A 116 ALA~? F 126 ARG A 123 ARG~? F 138 GLU A 113 GLU~? ULMNm 3 1a0j_c01 TRYPSIN user 1 3 RMSD = 1.42 A TRANSFORM 0.5001 -0.4586 -0.7345 -0.8462 -0.0788 -0.5270 -0.1837 -0.8851 0.4275 49.402 65.181 94.738 B 57 HIS A 136 HIS~? B 102 ASP A 135 ASP~? B 195 SER A 130 SER~? ULMNm 3 1qrz_c20 PLASMINOGEN user 1 3 RMSD = 1.43 A TRANSFORM 0.1803 0.5252 0.8316 -0.3218 0.8305 -0.4547 0.9295 0.1856 -0.3188 -52.454 -20.491 2.024 A 603 HIS A 186 HIS.? A 646 ASP A 140 ASP^? A 739 GLY A 198 GLY.? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 1.43 A TRANSFORM -0.6597 0.7469 -0.0833 0.2978 0.1580 -0.9415 0.6901 0.6459 0.3266 24.948 -116.892 -170.778 A 420 ALA A 126 ALA~? B 182 GLY A 137 GLY~? B 183 GLY A 168 GLY.? ULMNm 3 1ct9_c04 ASPARAGINE SYNTHETASE B user 2 3 RMSD = 1.43 A TRANSFORM 0.8126 0.2188 -0.5402 0.4908 -0.7569 0.4315 0.3145 0.6158 0.7225 -3.014 77.764 90.309 A 1 ALA A 17 ALA~? A 74 ASN A 146 ASN^? A 75 GLY A 176 GLY.? ULMNm 3 1ig8_c00 HEXOKINASE PII user 1 3 RMSD = 1.44 A TRANSFORM 0.2922 -0.0103 0.9563 -0.9559 -0.0322 0.2918 -0.0278 0.9994 0.0192 13.654 72.027 -33.052 A 158 SER A 22 SER~? A 173 ARG A 25 ARG~? A 211 ASP A 19 ASP~? ULMNm 3 1xs1_c09 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 5 3 RMSD = 1.44 A TRANSFORM 0.2636 -0.9234 -0.2790 0.9268 0.1623 0.3386 0.2674 0.3478 -0.8986 21.390 -26.545 54.299 D 124 ALA A 116 ALA~? D 126 ARG A 123 ARG~? D 138 GLU A 113 GLU~? ULMNm 3 1xs1_c08 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 6 3 RMSD = 1.44 A TRANSFORM -0.9185 0.3495 -0.1849 0.2251 0.8466 0.4822 -0.3251 -0.4013 0.8563 6.641 -36.135 31.275 C 124 ALA A 116 ALA~? C 126 ARG A 123 ARG~? C 138 GLU A 113 GLU~? ULMNm 3 1ct9_c06 ASPARAGINE SYNTHETASE B user 2 3 RMSD = 1.45 A TRANSFORM -0.7514 0.6570 -0.0612 0.4851 0.4871 -0.7263 0.4474 0.5754 0.6847 -0.748 9.651 5.534 C 1 ALA A 17 ALA~? C 74 ASN A 146 ASN^? C 75 GLY A 176 GLY.? ULMNm 3 1qgn_c23 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 RMSD = 1.46 A TRANSFORM -0.5856 -0.2949 -0.7551 -0.2160 -0.8410 0.4960 0.7813 -0.4536 -0.4287 50.598 5.881 -51.440 F 163 TYR A 6 TYR~? F 236 ASP A 5 ASP~? H 110 ARG A 108 ARG^? ULMNm 3 1a0j_c03 TRYPSIN user 1 3 RMSD = 1.46 A TRANSFORM 0.5552 0.8169 -0.1562 -0.4037 0.1006 -0.9093 0.7271 -0.5680 -0.3856 -37.956 16.316 101.955 D 57 HIS A 136 HIS~? D 102 ASP A 135 ASP~? D 195 SER A 130 SER~? ULMNm 3 1qgn_c21 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 RMSD = 1.46 A TRANSFORM -0.1402 0.5239 -0.8401 0.5943 0.7232 0.3518 -0.7919 0.4500 0.4128 35.354 -22.869 -49.931 F 110 ARG A 108 ARG^? H 163 TYR A 6 TYR~? H 236 ASP A 5 ASP~? ULMNm 3 1qgn_c17 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 RMSD = 1.46 A TRANSFORM -0.5831 -0.7619 -0.2819 -0.1659 0.4514 -0.8768 -0.7953 0.4645 0.3896 53.681 6.044 28.071 B 110 ARG A 108 ARG^? D 163 TYR A 6 TYR~? D 236 ASP A 5 ASP~? ULMNm 3 1qgn_c20 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 RMSD = 1.46 A TRANSFORM 0.5103 0.3447 0.7879 0.1192 0.8790 -0.4617 0.8517 -0.3295 -0.4075 27.854 -18.651 -54.105 E 110 ARG A 108 ARG^? G 163 TYR A 6 TYR~? G 236 ASP A 5 ASP~? ULMNm 3 1qgn_c16 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 RMSD = 1.47 A TRANSFORM -0.1272 -0.9047 0.4065 0.4960 0.2969 0.8160 0.8589 -0.3055 -0.4110 49.673 -2.237 23.160 A 110 ARG A 108 ARG^? C 163 TYR A 6 TYR~? C 236 ASP A 5 ASP~? ULMNm 3 1qgn_c22 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 RMSD = 1.47 A TRANSFORM 0.1936 -0.5558 0.8084 -0.5067 -0.7623 -0.4027 -0.8401 0.3317 0.4292 43.032 9.386 -47.769 E 163 TYR A 6 TYR~? E 236 ASP A 5 ASP~? G 110 ARG A 108 ARG^? ULMNm 3 1a0j_c00 TRYPSIN user 1 3 RMSD = 1.47 A TRANSFORM -0.1029 -0.3547 0.9293 0.5694 0.7450 0.3474 0.8156 -0.5650 -0.1253 45.779 -0.469 66.793 A 57 HIS A 136 HIS~? A 102 ASP A 135 ASP~? A 195 SER A 130 SER~? ULMNm 3 1qgn_c19 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 RMSD = 1.47 A TRANSFORM 0.2554 0.8480 -0.4643 -0.5759 -0.2523 -0.7776 0.7766 -0.4660 -0.4240 24.416 18.972 26.223 B 163 TYR A 6 TYR~? B 236 ASP A 5 ASP~? D 110 ARG A 108 ARG^? ULMNm 3 1qgn_c18 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 RMSD = 1.47 A TRANSFORM 0.4789 0.8006 0.3603 0.2421 -0.5149 0.8224 -0.8438 0.3066 0.4404 21.011 11.260 30.029 A 163 TYR A 6 TYR~? A 236 ASP A 5 ASP~? C 110 ARG A 108 ARG^? ULMNm 3 1a0j_c02 TRYPSIN user 1 3 RMSD = 1.48 A TRANSFORM -0.9557 0.2907 -0.0468 -0.1672 -0.6666 -0.7264 0.2423 0.6864 -0.6857 42.909 69.577 37.257 C 57 HIS A 136 HIS~? C 102 ASP A 135 ASP~? C 195 SER A 130 SER~? ULMNm 3 1ct9_c05 ASPARAGINE SYNTHETASE B user 2 3 RMSD = 1.48 A TRANSFORM 0.9714 -0.0530 0.2314 -0.2026 0.3230 0.9244 0.1237 0.9449 -0.3031 33.324 -9.524 2.054 B 1 ALA A 17 ALA~? B 74 ASN A 146 ASN^? B 75 GLY A 176 GLY.? ULMNm 3 1lio_c01 ADENOSINE KINASE user 2 3 RMSD = 1.48 A TRANSFORM 0.8087 0.3576 0.4670 0.5701 -0.2811 -0.7720 0.1448 -0.8906 0.4312 -3.457 48.448 54.826 A 316 ALA A 205 ALA.? A 317 GLY A 206 GLY.? A 318 ASP A 204 ASP.? ULMNm 3 1qrz_c23 PLASMINOGEN user 1 3 RMSD = 1.49 A TRANSFORM -0.8081 -0.0548 0.5864 0.3883 -0.7982 0.4605 -0.4428 -0.5998 -0.6664 -30.728 11.299 88.055 D 603 HIS A 186 HIS.? D 646 ASP A 140 ASP^? D 739 GLY A 198 GLY.? ULMNm 3 1bhg_c04 BETA-GLUCURONIDASE user 1 3 RMSD = 1.50 A TRANSFORM 0.5542 0.8030 0.2192 -0.3051 -0.0490 0.9510 -0.7745 0.5939 -0.2178 59.065 71.008 78.204 A 382 ARG A 149 ARG.? A 451 GLU A 15 GLU~? A 540 GLU A 75 GLU.?