*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1m53_c06 ISOMALTULOSE SYNTHASE user 1 3 RMSD = 0.89 A TRANSFORM -0.6486 0.6842 0.3334 0.5332 0.7210 -0.4425 -0.5432 -0.1092 -0.8325 -7.671 39.494 112.838 A 241 ASP A 133 ASP^? A 279 GLU A 22 GLU~? A 369 ASP A 64 ASP^? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 RMSD = 0.90 A TRANSFORM -0.8632 -0.5048 0.0067 -0.3145 0.5481 0.7750 -0.3949 0.6669 -0.6319 37.202 -152.836 -114.036 A 420 ALA A 109 ALA^? B 182 GLY A 80 GLY~? B 183 GLY A 79 GLY~? ULMNm 3 1ez2_c01 PHOSPHOTRIESTERASE user 2 3 RMSD = 0.98 A TRANSFORM 0.8894 0.4552 0.0414 0.3438 -0.6065 -0.7169 -0.3013 0.6519 -0.6959 43.336 -1.392 17.705 B 233 ASP A 133 ASP^? B 254 HIS A 54 HIS^? B 301 ASP A 64 ASP^? ULMNm 3 1ez2_c00 PHOSPHOTRIESTERASE user 2 3 RMSD = 1.00 A TRANSFORM 0.8790 0.4768 -0.0106 -0.3370 0.6368 0.6935 0.3374 -0.6059 0.7204 43.518 -33.003 16.737 A 233 ASP A 133 ASP^? A 254 HIS A 54 HIS^? A 301 ASP A 64 ASP^? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 4 3 RMSD = 1.03 A TRANSFORM -0.7724 -0.6319 -0.0646 -0.1047 0.0263 0.9942 -0.6265 0.7746 -0.0865 43.813 -156.206 -145.999 A 420 ALA A 109 ALA^? B 182 GLY A 83 GLY.? B 183 GLY A 84 GLY.? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 3 3 RMSD = 1.06 A TRANSFORM 0.3475 -0.1086 -0.9314 -0.4768 -0.8758 -0.0757 -0.8074 0.4704 -0.3561 93.683 -90.454 -129.929 A 420 ALA A 109 ALA^? B 182 GLY A 80 GLY~? B 183 GLY A 83 GLY.? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 1.16 A TRANSFORM 0.3072 -0.2883 -0.9069 -0.7772 -0.6260 -0.0643 -0.5492 0.7246 -0.4164 94.553 -96.955 -126.797 A 420 ALA A 109 ALA^? B 182 GLY A 79 GLY~? B 183 GLY A 84 GLY.? ULMNm 3 1b6g_c00 HALOALKANE DEHALOGENASE user 1 3 RMSD = 1.23 A TRANSFORM -0.0426 0.9991 -0.0036 0.8791 0.0358 -0.4754 -0.4748 -0.0235 -0.8798 19.571 45.001 55.365 124 ASP A 64 ASP^? 260 ASP A 133 ASP^? 289 HIS A 54 HIS^? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 3 3 RMSD = 1.25 A TRANSFORM 0.2512 0.9474 -0.1981 0.9622 -0.2667 -0.0554 -0.1053 -0.1766 -0.9786 20.709 41.220 130.642 A 241 ASP A 140 ASP~? A 265 GLU A 110 GLU^? A 369 ASP A 145 ASP~? ULMNm 3 1r4f_c00 IAG-NUCLEOSIDE HYDROLASE user 1 3 RMSD = 1.25 A TRANSFORM -0.8406 -0.3730 0.3928 0.0093 -0.7349 -0.6781 0.5416 -0.5663 0.6212 22.372 73.493 -13.836 A 10 ASP A 97 ASP.? A 186 ASN A 19 ASN~? A 260 ALA A 25 ALA~? ULMNm 3 1cjy_c01 CYTOSOLIC PHOSPHOLIPASE A2 user 1 3 RMSD = 1.25 A TRANSFORM 0.6146 -0.7227 -0.3161 0.7874 0.5859 0.1914 0.0469 -0.3666 0.9292 152.745 59.536 104.782 B1198 GLY A 67 GLY~? B1228 SER A 52 SER^? B1549 ASP A 64 ASP^? ULMNm 3 1ct9_c04 ASPARAGINE SYNTHETASE B user 2 3 RMSD = 1.25 A TRANSFORM -0.0614 -0.4464 -0.8927 0.6638 0.6497 -0.3705 0.7454 -0.6153 0.2564 48.469 56.449 117.792 A 1 ALA A 25 ALA~? A 74 ASN A 24 ASN~? A 75 GLY A 99 GLY.? ULMNm 3 1ct9_c05 ASPARAGINE SYNTHETASE B user 2 3 RMSD = 1.27 A TRANSFORM 0.6969 -0.1612 -0.6988 0.6685 -0.2070 0.7143 -0.2599 -0.9650 -0.0365 65.895 -18.789 54.544 B 1 ALA A 25 ALA~? B 74 ASN A 24 ASN~? B 75 GLY A 99 GLY.? ULMNm 3 1nw9_c02 CASPASE 9, APOPTOSIS-RELATED CYSTEINuser 1 3 RMSD = 1.27 A TRANSFORM -0.7729 -0.4792 0.4158 0.1588 -0.7806 -0.6045 0.6143 -0.4012 0.6794 39.900 51.884 59.136 B 237 HIS A 105 HIS^? B 238 GLY A 103 GLY^? B 287 CYH A 121 CYH^? ULMNm 3 1ct9_c07 ASPARAGINE SYNTHETASE B user 2 3 RMSD = 1.28 A TRANSFORM 0.2532 -0.1962 0.9473 -0.9450 0.1593 0.2856 -0.2069 -0.9675 -0.1451 -52.944 36.047 147.752 D 1 ALA A 25 ALA~? D 74 ASN A 24 ASN~? D 75 GLY A 99 GLY.? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 6 3 RMSD = 1.30 A TRANSFORM 0.6811 0.7134 -0.1648 0.0725 -0.2896 -0.9544 -0.7286 0.6381 -0.2490 45.325 -45.744 -136.451 A 420 ALA A 109 ALA^? B 182 GLY A 84 GLY.? B 183 GLY A 83 GLY.? ULMNm 3 1coy_c00 CHOLESTEROL OXIDASE (E.C.1.1.3.6) COuser 1 3 RMSD = 1.31 A TRANSFORM -0.5397 0.1584 -0.8268 0.7477 -0.3611 -0.5573 -0.3868 -0.9190 0.0764 24.828 48.399 36.804 361 GLU A 136 GLU^? 447 HIS A 105 HIS^? 485 ASN A 107 ASN^? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 4 3 RMSD = 1.31 A TRANSFORM -0.5985 -0.4603 0.6557 -0.3230 -0.6103 -0.7233 0.7331 -0.6447 0.2166 -21.945 69.066 76.674 A 241 ASP A 145 ASP~? A 265 GLU A 110 GLU^? A 369 ASP A 140 ASP~? ULMNm 3 1m53_c06 ISOMALTULOSE SYNTHASE user 2 3 RMSD = 1.31 A TRANSFORM -0.7566 0.6318 0.1683 0.5031 0.7269 -0.4675 -0.4177 -0.2690 -0.8679 -1.621 40.241 115.962 A 241 ASP A 133 ASP^? A 279 GLU A 26 GLU~? A 369 ASP A 64 ASP^? ULMNm 3 1ct9_c06 ASPARAGINE SYNTHETASE B user 2 3 RMSD = 1.32 A TRANSFORM -0.4790 -0.4640 0.7452 -0.4027 -0.6382 -0.6562 0.7800 -0.6144 0.1189 -0.357 63.194 37.264 C 1 ALA A 25 ALA~? C 74 ASN A 24 ASN~? C 75 GLY A 99 GLY.? ULMNm 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 1 3 RMSD = 1.33 A TRANSFORM -0.1778 -0.9341 -0.3095 0.9562 -0.0897 -0.2787 0.2326 -0.3455 0.9091 70.106 5.552 34.318 A 198 GLY A 67 GLY~? A 228 SER A 52 SER^? A 549 ASP A 64 ASP^? ULMNm 3 1geq_c02 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 2 3 RMSD = 1.33 A TRANSFORM -0.1507 0.6937 -0.7043 0.7522 0.5427 0.3736 0.6415 -0.4735 -0.6036 58.739 -3.834 105.830 A 36 GLU A 136 GLU^? A 47 ASP A 145 ASP~? A 161 TYR A 78 TYR~? ULMNm 3 1geq_c03 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 2 3 RMSD = 1.34 A TRANSFORM -0.7314 -0.5058 -0.4574 0.0595 -0.7155 0.6961 -0.6793 0.4819 0.5534 79.193 14.431 23.174 B 36 GLU A 136 GLU^? B 47 ASP A 145 ASP~? B 161 TYR A 78 TYR~? ULMNm 3 1ddj_c15 PLASMINOGEN user 1 3 RMSD = 1.34 A TRANSFORM 0.9461 0.1166 -0.3023 0.2886 0.1205 0.9498 0.1471 -0.9859 0.0803 -22.292 -1.140 51.632 D 603 HIS A 54 HIS^? D 646 ASP A 133 ASP^? D 739 GLY A 103 GLY^? ULMNm 3 1nw9_c02 CASPASE 9, APOPTOSIS-RELATED CYSTEINuser 2 3 RMSD = 1.35 A TRANSFORM -0.2130 0.8537 -0.4752 0.6384 -0.2466 -0.7292 -0.7397 -0.4586 -0.4925 63.795 50.835 120.330 B 237 HIS A 105 HIS^? B 238 GLY A 119 GLY^? B 287 CYH A 120 CYH^? ULMNm 3 1qfl_c02 ACETOACETYL-COA THIOLASE user 1 3 RMSD = 1.36 A TRANSFORM 0.8892 -0.1862 -0.4180 -0.3417 -0.8777 -0.3359 -0.3044 0.4415 -0.8441 54.927 35.280 98.841 C 348 HIS A 92 HIS^? C 378 CYH A 121 CYH^? C 380 GLY A 119 GLY^? ULMNm 3 1qfl_c03 ACETOACETYL-COA THIOLASE user 1 3 RMSD = 1.36 A TRANSFORM -0.9109 0.2261 0.3452 0.3409 0.8837 0.3207 -0.2325 0.4097 -0.8821 -6.558 -33.615 101.905 D 348 HIS A 92 HIS^? D 378 CYH A 121 CYH^? D 380 GLY A 119 GLY^? ULMNm 3 1b6g_c00 HALOALKANE DEHALOGENASE user 2 3 RMSD = 1.36 A TRANSFORM -0.2833 -0.0470 -0.9579 -0.9385 0.2193 0.2668 0.1975 0.9745 -0.1062 64.108 19.690 17.040 124 ASP A 133 ASP^? 260 ASP A 64 ASP^? 289 HIS A 54 HIS^? ULMNm 3 1qfl_c01 ACETOACETYL-COA THIOLASE user 1 3 RMSD = 1.37 A TRANSFORM -0.7072 -0.6957 -0.1258 0.6526 -0.5739 -0.4947 0.2720 -0.4320 0.8599 38.411 43.106 -31.547 B 348 HIS A 92 HIS^? B 378 CYH A 121 CYH^? B 380 GLY A 119 GLY^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 2 3 RMSD = 1.38 A TRANSFORM 0.6784 0.5201 -0.5189 -0.4244 0.8539 0.3011 0.5997 0.0160 0.8001 10.978 -22.161 -24.432 141 ASP A 48 ASP^? 166 GLY A 76 GLY~? 169 GLU A 81 GLU~? ULMNm 3 1cb7_c07 GLUTAMATE MUTASE user 1 3 RMSD = 1.38 A TRANSFORM -0.3663 0.8953 -0.2533 -0.7182 -0.4451 -0.5348 -0.5915 -0.0140 0.8062 6.726 63.402 61.506 C 14 ASP A 64 ASP^? C 16 HIS A 54 HIS^? C 67 GLY A 67 GLY~? ULMNm 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 3 3 RMSD = 1.39 A TRANSFORM -0.4851 -0.8564 -0.1770 -0.8519 0.5085 -0.1254 0.1974 0.0900 -0.9762 64.489 -9.981 88.906 A 198 GLY A 134 GLY^? A 228 SER A 52 SER^? A 549 ASP A 64 ASP^? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 5 3 RMSD = 1.39 A TRANSFORM -0.0002 0.0189 0.9998 0.9876 -0.1569 0.0032 0.1569 0.9874 -0.0186 -42.388 -1.746 -16.923 14 ASP A 64 ASP^? 16 HIS A 65 HIS^? 67 GLY A 119 GLY^? ULMNm 3 1qfl_c00 ACETOACETYL-COA THIOLASE user 1 3 RMSD = 1.40 A TRANSFORM 0.7019 0.7014 0.1241 -0.6579 0.5716 0.4903 0.2730 -0.4257 0.8627 3.868 -42.885 -31.788 A 348 HIS A 92 HIS^? A 378 CYH A 121 CYH^? A 380 GLY A 119 GLY^? ULMNm 3 1cb7_c06 GLUTAMATE MUTASE user 1 3 RMSD = 1.40 A TRANSFORM -0.4806 0.8729 -0.0833 0.7164 0.4457 0.5368 0.5057 0.1983 -0.8396 2.297 -32.267 102.865 A 14 ASP A 64 ASP^? A 16 HIS A 54 HIS^? A 67 GLY A 67 GLY~? ULMNm 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 1 3 RMSD = 1.41 A TRANSFORM 0.0260 0.9640 -0.2648 0.7752 -0.1867 -0.6035 -0.6312 -0.1896 -0.7521 27.432 125.544 38.363 193 ASP A 64 ASP^? 231 ASP A 140 ASP~? 294 ASP A 133 ASP^? ULMNm 3 1cjy_c01 CYTOSOLIC PHOSPHOLIPASE A2 user 3 3 RMSD = 1.41 A TRANSFORM -0.9361 -0.1609 -0.3126 -0.1218 0.9825 -0.1408 0.3298 -0.0938 -0.9394 142.947 63.506 161.479 B1198 GLY A 134 GLY^? B1228 SER A 52 SER^? B1549 ASP A 64 ASP^? ULMNm 3 3a5q_o00 BENZALACETONE SYNTHASE user 1 3 RMSD = 1.42 A TRANSFORM -0.7204 0.6890 -0.0796 -0.5798 -0.6613 -0.4760 -0.3805 -0.2968 0.8759 16.097 -17.757 33.262 A 157 CYH A 120 CYH^? A 296 HIS A 105 HIS^? A 329 ASN A 107 ASN^? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.43 A TRANSFORM 0.6637 -0.4064 0.6280 -0.1817 -0.9020 -0.3917 0.7256 0.1458 -0.6725 -10.674 15.749 -37.165 B 250 ALA A 21 ALA~? B 251 GLY A 99 GLY.? B 252 ASP A 98 ASP.? ULMNm 3 1dco_c00 DCOH user 1 3 RMSD = 1.43 A TRANSFORM -0.0480 -0.8542 0.5177 -0.2129 -0.4976 -0.8409 0.9759 -0.1505 -0.1580 41.753 70.946 50.016 A 62 HIS A 54 HIS^? A 63 HIS A 65 HIS^? A 89 ASP A 133 ASP^? ULMNm 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 2 3 RMSD = 1.43 A TRANSFORM -0.1506 -0.8113 0.5648 0.9739 -0.0236 0.2257 -0.1698 0.5841 0.7937 52.063 10.117 -33.136 A 261 GLY A 134 GLY^? B 17 GLN A 74 GLN~? B 140 GLU A 136 GLU^? ULMNm 3 3a5q_o01 BENZALACETONE SYNTHASE user 1 3 RMSD = 1.44 A TRANSFORM 0.7203 -0.6896 0.0752 -0.5284 -0.4751 0.7037 -0.4495 -0.5466 -0.7065 4.314 -61.141 91.633 B 157 CYH A 120 CYH^? B 296 HIS A 105 HIS^? B 329 ASN A 107 ASN^? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.44 A TRANSFORM 0.0654 0.6915 0.7194 -0.6471 0.5782 -0.4970 -0.7596 -0.4330 0.4853 -17.932 1.501 -0.822 A 250 ALA A 21 ALA~? A 251 GLY A 99 GLY.? A 252 ASP A 98 ASP.? ULMNm 3 1cb8_c00 CHONDROITINASE AC user 1 3 RMSD = 1.44 A TRANSFORM -0.6749 -0.6458 0.3570 -0.2511 0.6559 0.7118 -0.6939 0.3907 -0.6049 19.864 -16.193 67.990 A 175 ASN A 36 ASN~? A 225 HIS A 105 HIS^? A 234 TYR A 32 TYR~? ULMNm 3 1pnl_c00 PENICILLIN AMIDOHYDROLASE user 1 3 RMSD = 1.44 A TRANSFORM -0.4314 0.3831 0.8168 -0.6363 -0.7710 0.0255 0.6396 -0.5087 0.5763 -40.827 56.745 20.865 B 1 SER A 37 SER~? B 69 ALA A 33 ALA~? B 241 ASN A 36 ASN~? ULMNm 3 1c82_c00 HYALURONATE LYASE user 1 3 RMSD = 1.46 A TRANSFORM -0.6021 -0.7019 0.3806 -0.4593 -0.0854 -0.8842 0.6531 -0.7072 -0.2709 5.361 28.707 57.623 A 349 ASN A 36 ASN~? A 399 HIS A 105 HIS^? A 408 TYR A 32 TYR~? ULMNm 3 1lij_c01 ADENOSINE KINASE user 1 3 RMSD = 1.46 A TRANSFORM -0.9086 0.1500 0.3898 -0.4034 -0.5570 -0.7259 0.1083 -0.8168 0.5666 140.789 65.854 -10.354 A 316 ALA A 21 ALA~? A 317 GLY A 99 GLY.? A 318 ASP A 98 ASP.? ULMNm 3 1fr8_c01 BETA 1,4 GALACTOSYLTRANSFERASE user 2 3 RMSD = 1.46 A TRANSFORM -0.8505 0.2994 0.4323 0.2636 0.9541 -0.1423 -0.4551 -0.0070 -0.8904 -27.470 13.657 87.585 B 317 GLU A 110 GLU^? B 319 ASP A 117 ASP^? B 359 ARG A 106 ARG^? ULMNm 3 2odj_o00 PORIN D user 2 3 RMSD = 1.47 A TRANSFORM -0.7218 -0.6494 -0.2394 0.1056 -0.4451 0.8892 -0.6840 0.6166 0.3898 31.730 -15.881 7.431 A 156 HIS A 137 HIS^? A 208 ASP A 140 ASP~? A 296 SER A 37 SER~? ULMNm 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 2 3 RMSD = 1.47 A TRANSFORM 0.9746 0.1991 0.1022 -0.0490 -0.2556 0.9655 0.2184 -0.9461 -0.2394 40.745 -34.048 80.493 A 198 GLY A 67 GLY~? A 228 SER A 52 SER^? A 549 ASP A 133 ASP^? ULMNm 3 1cjy_c01 CYTOSOLIC PHOSPHOLIPASE A2 user 2 3 RMSD = 1.48 A TRANSFORM 0.5734 -0.2383 0.7839 -0.7407 -0.5598 0.3716 0.3502 -0.7937 -0.4975 109.257 69.107 157.646 B1198 GLY A 67 GLY~? B1228 SER A 52 SER^? B1549 ASP A 133 ASP^? ULMNm 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 2 3 RMSD = 1.49 A TRANSFORM -0.0901 -0.9959 -0.0081 -0.2837 0.0335 -0.9583 0.9547 -0.0841 -0.2856 44.092 135.347 20.456 193 ASP A 133 ASP^? 231 ASP A 39 ASP~? 294 ASP A 64 ASP^?