*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 RMSD = 0.79 A TRANSFORM 0.5817 -0.7366 -0.3449 -0.5706 -0.6718 0.4723 -0.5797 -0.0780 -0.8111 48.795 -71.737 -91.261 A 420 ALA B 100 ALA~? B 182 GLY B 105 GLY.? B 183 GLY B 104 GLY.? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 0.89 A TRANSFORM -0.5714 0.7309 0.3732 0.6283 0.6822 -0.3739 -0.5279 0.0208 -0.8491 62.547 -155.119 -96.489 A 420 ALA A 100 ALA~? B 182 GLY A 105 GLY.? B 183 GLY A 104 GLY.? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 4 3 RMSD = 0.90 A TRANSFORM 0.6238 -0.6757 -0.3928 -0.3783 0.1788 -0.9083 0.6839 0.7152 -0.1441 39.496 52.110 -52.575 A 229 ALA B 56 ALA^? A 257 ALA B 67 ALA^? A 328 ASP B 69 ASP^? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 1 3 RMSD = 1.05 A TRANSFORM -0.5852 0.7049 0.4007 -0.7020 -0.1931 -0.6855 -0.4058 -0.6825 0.6079 57.925 74.996 28.280 A 229 ALA A 56 ALA^? A 257 ALA A 67 ALA^? A 328 ASP A 69 ASP^? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 1 3 RMSD = 1.09 A TRANSFORM -0.8362 -0.4532 -0.3089 0.5484 -0.6843 -0.4806 0.0064 -0.5713 0.8207 88.325 43.237 -50.653 D 465 GLY A 28 GLY.? D 501 ASP A 38 ASP.? E 367 TYR B 22 TYR~? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 1 3 RMSD = 1.14 A TRANSFORM -0.9501 0.2215 0.2198 0.3067 0.7926 0.5270 -0.0575 0.5681 -0.8209 59.175 -15.539 -12.059 A 465 GLY A 28 GLY.? A 501 ASP A 38 ASP.? B 367 TYR B 22 TYR~? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 2 3 RMSD = 1.16 A TRANSFORM 0.0416 0.4474 -0.8934 -0.6582 0.6850 0.3124 0.7517 0.5750 0.3230 28.772 61.450 -110.560 D 465 GLY B 28 GLY.? D 501 ASP B 38 ASP.? E 367 TYR A 22 TYR~? ULMNm 3 1ct9_c04 ASPARAGINE SYNTHETASE B user 1 3 RMSD = 1.17 A TRANSFORM -0.9048 0.0502 -0.4229 0.1845 -0.8487 -0.4956 -0.3838 -0.5264 0.7586 51.872 66.445 146.666 A 1 ALA A 18 ALA~? A 74 ASN A 14 ASN~? A 75 GLY A 13 GLY.? ULMNm 3 1ecf_c00 GLUTAMINE PHOSPHORIBOSYLPYROPHOSPHATuser 2 3 RMSD = 1.20 A TRANSFORM -0.8341 -0.4837 0.2652 -0.5355 0.5946 -0.5997 0.1324 -0.6422 -0.7550 123.330 68.141 71.047 A 1 CYH B 15 CYH~? A 101 ASN B 14 ASN~? A 102 GLY B 13 GLY.? ULMNm 3 2qv4_p00 PANCREATIC ALPHA-AMYLASE user 1 3 RMSD = 1.21 A TRANSFORM 0.8092 -0.3604 0.4640 0.4749 -0.0636 -0.8777 0.3458 0.9306 0.1197 -20.353 74.103 -20.666 A 459 ASN A 12 ASN.? A 460 GLY A 13 GLY.? A 461 ASN A 14 ASN~? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 2 3 RMSD = 1.21 A TRANSFORM 0.5743 -0.2254 -0.7870 0.3669 -0.7886 0.4935 -0.7319 -0.5721 -0.3702 4.843 20.489 44.663 A 465 GLY B 28 GLY.? A 501 ASP B 38 ASP.? B 367 TYR A 22 TYR~? ULMNm 3 1ecf_c00 GLUTAMINE PHOSPHORIBOSYLPYROPHOSPHATuser 1 3 RMSD = 1.21 A TRANSFORM 0.5534 0.4727 -0.6858 -0.3720 -0.5965 -0.7112 -0.7453 0.6487 -0.1543 40.663 90.404 76.985 A 1 CYH A 15 CYH~? A 101 ASN A 14 ASN~? A 102 GLY A 13 GLY.? ULMNm 3 1ecf_c01 GLUTAMINE PHOSPHORIBOSYLPYROPHOSPHATuser 1 3 RMSD = 1.23 A TRANSFORM -0.7050 0.6770 -0.2110 0.3638 0.6007 0.7118 0.6087 0.4251 -0.6699 107.771 -11.367 4.801 B 1 CYH A 15 CYH~? B 101 ASN A 14 ASN~? B 102 GLY A 13 GLY.? ULMNm 3 1ecf_c01 GLUTAMINE PHOSPHORIBOSYLPYROPHOSPHATuser 2 3 RMSD = 1.23 A TRANSFORM 0.0653 -0.6713 -0.7383 0.5389 -0.5989 0.5923 -0.8398 -0.4365 0.3227 107.825 10.618 87.763 B 1 CYH B 15 CYH~? B 101 ASN B 14 ASN~? B 102 GLY B 13 GLY.? ULMNm 3 2qv4_p00 PANCREATIC ALPHA-AMYLASE user 4 3 RMSD = 1.24 A TRANSFORM 0.1431 0.3772 0.9150 -0.9891 0.0223 0.1454 0.0344 -0.9259 0.3763 -10.140 134.717 37.861 A 459 ASN B 12 ASN.? A 460 GLY B 13 GLY.? A 461 ASN B 14 ASN~? ULMNm 3 1hkd_p00 PEA LECTIN ALPHA CHAIN user 4 3 RMSD = 1.24 A TRANSFORM -0.6877 -0.3293 -0.6470 -0.6063 0.7508 0.2623 0.3994 0.5726 -0.7159 38.576 38.113 -48.022 A 81 ASP B 69 ASP^? A 99 GLY B 13 GLY.? A 125 ASN B 14 ASN~? ULMNm 3 1hkd_p00 PEA LECTIN ALPHA CHAIN user 2 3 RMSD = 1.27 A TRANSFORM -0.3912 0.4477 -0.8040 0.3679 -0.7248 -0.5826 -0.8436 -0.5237 0.1188 8.879 34.477 32.747 A 81 ASP A 69 ASP^? A 99 GLY A 13 GLY.? A 125 ASN A 14 ASN~? ULMNm 3 1jxa_c04 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 2 3 RMSD = 1.27 A TRANSFORM -0.1579 0.3844 -0.9095 0.3915 -0.8212 -0.4151 -0.9065 -0.4216 -0.0208 10.607 37.393 131.941 C 1 CYH B 15 CYH~? C 98 ASN B 14 ASN~? C 99 GLY B 13 GLY.? ULMNm 3 2qv4_p00 PANCREATIC ALPHA-AMYLASE user 5 3 RMSD = 1.27 A TRANSFORM 0.2210 0.4270 -0.8768 0.6492 -0.7353 -0.1944 -0.7278 -0.5263 -0.4397 -0.137 97.012 61.874 A 459 ASN B 14 ASN~? A 460 GLY B 13 GLY.? A 461 ASN B 12 ASN.? ULMNm 3 2qv4_p00 PANCREATIC ALPHA-AMYLASE user 2 3 RMSD = 1.28 A TRANSFORM -0.9021 -0.4249 -0.0755 -0.4013 0.7616 0.5089 -0.1587 0.4894 -0.8575 68.515 105.451 12.500 A 459 ASN A 14 ASN~? A 460 GLY A 13 GLY.? A 461 ASN A 12 ASN.? ULMNm 3 3eit_o00 CHBP, A CIF HOMOLOGUE FROM BURKHOLDEuser 2 3 RMSD = 1.29 A TRANSFORM 0.2184 -0.5798 0.7849 0.7185 -0.4488 -0.5314 0.6604 0.6800 0.3186 37.695 28.587 -9.603 A 156 CYH B 21 CYH~? A 211 HIS B 25 HIS~? A 231 GLN B 24 GLN~? ULMNm 3 1jxa_c04 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 1 3 RMSD = 1.30 A TRANSFORM -0.7945 -0.3875 -0.4676 -0.5237 0.8270 0.2045 0.3074 0.4073 -0.8600 56.655 36.179 59.839 C 1 CYH A 15 CYH~? C 98 ASN A 14 ASN~? C 99 GLY A 13 GLY.? ULMNm 3 1lio_c01 ADENOSINE KINASE user 2 3 RMSD = 1.30 A TRANSFORM 0.8355 0.3680 -0.4081 -0.0746 0.8117 0.5793 0.5444 -0.4536 0.7056 -4.363 -7.461 20.317 A 316 ALA B 102 ALA~? A 317 GLY B 105 GLY.? A 318 ASP B 125 ASP^? ULMNm 3 2bhg_c02 FOOT-AND-MOUTH DISEASE VIRUS 3C PROTuser 2 3 RMSD = 1.30 A TRANSFORM -0.0292 0.2720 0.9619 -0.3997 -0.8852 0.2381 0.9162 -0.3775 0.1346 10.761 26.330 -40.652 B 46 HIS A 55 HIS^? B 163 ALA A 67 ALA^? B 182 SER A 68 SER^? ULMNm 3 3gqj_o00 CELL INHIBITING FACTOR (CIF) user 2 3 RMSD = 1.31 A TRANSFORM 0.7892 -0.2458 -0.5629 0.6126 0.3816 0.6922 0.0446 -0.8910 0.4517 -7.672 -42.673 29.249 A 123 CYH B 21 CYH~? A 181 HIS B 25 HIS~? A 200 GLN B 24 GLN~? ULMNm 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 RMSD = 1.33 A TRANSFORM -0.5370 -0.0799 0.8398 -0.5913 -0.6744 -0.4422 0.6017 -0.7340 0.3149 30.817 -19.655 -132.079 A 183 GLY B 104 GLY.? B 419 GLY B 105 GLY.? B 420 ALA B 102 ALA~? ULMNm 3 2bsq_d00 TRANSCRIPTION user 1 3 RMSD = 1.34 A TRANSFORM 0.2620 0.7996 -0.5404 -0.6899 -0.2363 -0.6842 -0.6748 0.5521 0.4897 -25.022 39.076 54.153 E 3 SER A 62 SER.? E 5 VAL A 59 VAL^? E 7 ARG A 57 ARG^? ULMNm 3 1lio_c01 ADENOSINE KINASE user 1 3 RMSD = 1.34 A TRANSFORM -0.6540 -0.3918 0.6472 0.6101 -0.7790 0.1450 0.4473 0.4896 0.7484 76.717 1.621 1.798 A 316 ALA A 102 ALA~? A 317 GLY A 105 GLY.? A 318 ASP A 125 ASP.? ULMNm 3 1hkd_p00 PEA LECTIN ALPHA CHAIN user 3 3 RMSD = 1.35 A TRANSFORM -0.6706 0.5224 -0.5267 -0.7373 -0.3910 0.5509 0.0819 0.7578 0.6473 2.437 87.342 -53.317 A 81 ASP B 69 ASP^? A 99 GLY B 13 GLY.? A 125 ASN B 12 ASN.? ULMNm 3 3gqm_o00 CELL INHIBITING FACTOR (CIFBP) user 2 3 RMSD = 1.35 A TRANSFORM -0.2347 0.5976 -0.7667 -0.6864 0.4566 0.5660 0.6883 0.6591 0.3031 16.463 7.692 -67.222 A 90 CYH B 21 CYH~? A 145 HIS B 25 HIS~? A 165 GLN B 24 GLN~? ULMNm 3 1hkd_p00 PEA LECTIN ALPHA CHAIN user 1 3 RMSD = 1.35 A TRANSFORM -0.1951 -0.5272 -0.8271 0.7534 0.4594 -0.4705 0.6280 -0.7149 0.3075 7.595 4.217 -40.382 A 81 ASP A 69 ASP^? A 99 GLY A 13 GLY.? A 125 ASN A 12 ASN.? ULMNm 3 1gdo_c03 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 2 3 RMSD = 1.38 A TRANSFORM -0.6412 0.6115 0.4636 0.7656 0.4687 0.4407 0.0522 0.6375 -0.7687 24.616 -44.640 70.404 C 1 CYH B 15 CYH~? C 98 ASN B 14 ASN~? C 99 GLY B 13 GLY.? ULMNm 3 1gdo_c02 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 2 3 RMSD = 1.39 A TRANSFORM 0.6491 -0.6105 -0.4538 -0.7590 -0.4806 -0.4392 0.0500 0.6296 -0.7753 10.105 51.569 27.841 A 1 CYH B 15 CYH~? A 98 ASN B 14 ASN~? A 99 GLY B 13 GLY.? ULMNm 3 1bwl_c01 NADPH DEHYDROGENASE 1 user 1 3 RMSD = 1.39 A TRANSFORM -0.1627 -0.5614 -0.8114 -0.5509 0.7339 -0.3974 0.8186 0.3823 -0.4287 59.937 88.107 -12.449 191 ASN A 70 ASN.? 194 HIS A 71 HIS.? 196 TYR A 74 TYR.? ULMNm 3 2bhg_c02 FOOT-AND-MOUTH DISEASE VIRUS 3C PROTuser 5 3 RMSD = 1.39 A TRANSFORM 0.8868 -0.2972 0.3538 0.4192 0.8396 -0.3454 -0.1944 0.4546 0.8692 -14.094 -49.776 -14.391 B 46 HIS B 55 HIS^? B 163 ALA B 67 ALA^? B 182 SER B 68 SER^? ULMNm 3 1gdo_c01 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 2 3 RMSD = 1.39 A TRANSFORM 0.6661 -0.6078 -0.4322 -0.7431 -0.4917 -0.4539 0.0634 0.6235 -0.7792 44.067 94.788 27.602 D 1 CYH B 15 CYH~? D 98 ASN B 14 ASN~? D 99 GLY B 13 GLY.? ULMNm 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 1.40 A TRANSFORM 0.9809 0.0534 -0.1873 -0.1770 0.6455 -0.7430 0.0812 0.7619 0.6426 -36.923 -70.048 -146.582 A 183 GLY A 104 GLY.? B 419 GLY A 105 GLY.? B 420 ALA A 102 ALA~? ULMNm 3 2bsq_d00 TRANSCRIPTION user 2 3 RMSD = 1.40 A TRANSFORM -0.4901 -0.8664 -0.0957 -0.2775 0.2592 -0.9251 0.8263 -0.4268 -0.3675 50.299 8.183 9.747 E 3 SER B 62 SER.? E 5 VAL B 59 VAL^? E 7 ARG B 57 ARG^? ULMNm 3 1gdo_c00 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 2 3 RMSD = 1.40 A TRANSFORM -0.6779 0.5973 0.4287 0.7326 0.4995 0.4624 0.0620 0.6275 -0.7761 62.453 -5.464 70.506 B 1 CYH B 15 CYH~? B 98 ASN B 14 ASN~? B 99 GLY B 13 GLY.? ULMNm 3 1jxa_c02 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 2 3 RMSD = 1.40 A TRANSFORM 0.8881 -0.2524 -0.3842 0.4578 0.4090 0.7894 -0.0421 -0.8770 0.4787 -54.392 -41.358 26.020 A 1 CYH B 15 CYH~? A 98 ASN B 14 ASN~? A 99 GLY B 13 GLY.? ULMNm 3 1jxa_c02 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 1 3 RMSD = 1.43 A TRANSFORM -0.6740 0.2707 0.6874 0.5633 -0.4136 0.7152 0.4779 0.8693 0.1262 -0.430 -25.848 -39.127 A 1 CYH A 15 CYH~? A 98 ASN A 14 ASN~? A 99 GLY A 13 GLY.? ULMNm 3 1bwl_c01 NADPH DEHYDROGENASE 1 user 2 3 RMSD = 1.44 A TRANSFORM -0.7459 0.4209 -0.5163 -0.0802 -0.8262 -0.5577 -0.6612 -0.3746 0.6500 62.973 106.581 68.736 191 ASN B 70 ASN.? 194 HIS B 71 HIS.? 196 TYR B 74 TYR.? ULMNm 3 1knp_c00 L-ASPARTATE OXIDASE user 2 3 RMSD = 1.45 A TRANSFORM -0.9300 0.3292 -0.1636 0.3585 0.7141 -0.6012 -0.0811 -0.6178 -0.7821 120.451 18.669 154.478 A 290 ARG A 96 ARG~? A 351 HIS A 25 HIS~? A 386 LEU A 97 LEU~? ULMNm 3 1gdo_c03 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 1 3 RMSD = 1.46 A TRANSFORM 0.6533 -0.6238 -0.4291 0.1254 -0.4698 0.8738 -0.7466 -0.6247 -0.2287 -0.408 5.572 135.675 C 1 CYH A 15 CYH~? C 98 ASN A 14 ASN~? C 99 GLY A 13 GLY.? ULMNm 3 1gdo_c02 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 1 3 RMSD = 1.46 A TRANSFORM -0.6471 0.6226 0.4400 -0.1263 0.4816 -0.8672 -0.7519 -0.6168 -0.2330 35.250 1.090 92.855 A 1 CYH A 15 CYH~? A 98 ASN A 14 ASN~? A 99 GLY A 13 GLY.? ULMNm 3 1gdo_c01 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 1 3 RMSD = 1.47 A TRANSFORM -0.6328 0.6203 0.4636 -0.1449 0.4932 -0.8578 -0.7607 -0.6099 -0.2222 69.446 45.225 93.259 D 1 CYH A 15 CYH~? D 98 ASN A 14 ASN~? D 99 GLY A 13 GLY.? ULMNm 3 1xva_c03 GLYCINE N-METHYLTRANSFERASE user 2 3 RMSD = 1.47 A TRANSFORM -0.5565 0.8213 0.1258 0.5741 0.2707 0.7727 0.6006 0.5023 -0.6221 95.917 18.654 -28.149 B 137 GLY B 128 GLY^? B 175 ARG B 126 ARG^? B 242 TYR B 22 TYR~? ULMNm 3 1gdo_c00 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 1 3 RMSD = 1.48 A TRANSFORM 0.6341 -0.6095 -0.4758 0.1567 -0.5013 0.8510 -0.7572 -0.6142 -0.2223 35.997 43.531 136.155 B 1 CYH A 15 CYH~? B 98 ASN A 14 ASN~? B 99 GLY A 13 GLY.? ULMNm 3 1emh_d00 HYDROLASE/DNA user 3 3 RMSD = 1.48 A TRANSFORM -0.6669 0.7198 -0.1930 0.7240 0.6871 0.0610 0.1765 -0.0991 -0.9793 19.347 -72.569 25.961 A 271 PRO B 35 PRO^? A 272 LEU B 34 LEU^? A 276 ARG B 57 ARG^?