*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 0.88 A TRANSFORM -0.7779 0.4076 0.4782 -0.5944 -0.2306 -0.7704 -0.2037 -0.8836 0.4216 38.925 -60.449 -125.142 A 420 ALA A 94 ALA~? B 182 GLY A 68 GLY^? B 183 GLY A 67 GLY.? ULMNm 3 1eyi_c00 FRUCTOSE-1,6-BISPHOSPHATASE user 1 3 RMSD = 0.94 A TRANSFORM -0.7295 -0.6835 -0.0250 0.1744 -0.2212 0.9595 -0.6614 0.6956 0.2806 56.917 -2.147 14.202 A 68 ASP A 25 ASP.? A 74 ASP A 27 ASP.? A 98 GLU A 101 GLU.? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 2 3 RMSD = 1.09 A TRANSFORM 0.9026 0.4069 0.1402 0.1029 0.1122 -0.9883 -0.4179 0.9066 0.0594 26.394 34.832 -3.833 A 67 ASP A 11 ASP~? A 68 ALA A 10 ALA~? A 72 LEU A 13 LEU~? ULMNm 3 1emd_c01 MALATE DEHYDROGENASE (E.C.1.1.1.37) user 2 3 RMSD = 1.09 A TRANSFORM -0.9625 0.2114 -0.1702 -0.0865 0.3554 0.9307 0.2572 0.9105 -0.3237 30.207 -40.426 14.064 150 ASP A 81 ASP.? 153 ARG A 82 ARG.? 177 HIS A 70 HIS^? ULMNm 3 4mdh_c02 CYTOPLASMIC MALATE DEHYDROGENASE (E.user 1 3 RMSD = 1.11 A TRANSFORM 0.8368 -0.5413 0.0819 0.1393 0.0659 -0.9880 0.5294 0.8382 0.1306 6.193 64.961 29.436 A 158 ASP A 81 ASP.? A 161 ARG A 82 ARG.? A 186 HIS A 70 HIS^? ULMNm 3 1ddj_c14 PLASMINOGEN user 1 3 RMSD = 1.13 A TRANSFORM 0.8076 0.2882 0.5144 -0.5333 -0.0153 0.8458 0.2516 -0.9574 0.1413 -11.992 31.770 74.395 C 603 HIS A 7 HIS~? C 646 ASP A 11 ASP~? C 739 GLY A 36 GLY.? ULMNm 3 1ldm_c01 M4 LACTATE DEHYDROGENASE user 2 3 RMSD = 1.13 A TRANSFORM 0.0095 0.9986 0.0517 0.3176 0.0460 -0.9471 -0.9482 0.0254 -0.3168 3.610 49.144 35.702 166 ASP A 81 ASP.? 169 ARG A 82 ARG.? 193 HIS A 70 HIS^? ULMNm 3 3pta_d00 TRANSFERASE/DNA user 1 3 RMSD = 1.15 A TRANSFORM -0.2170 0.1387 0.9663 0.9758 0.0026 0.2188 0.0279 0.9903 -0.1359 -22.160 -48.259 24.522 A 682 SER A 47 SER.? A 683 LYS A 48 LYS^? A 684 GLN A 98 GLN~? ULMNm 3 1cb7_c06 GLUTAMATE MUTASE user 1 3 RMSD = 1.18 A TRANSFORM 0.7555 0.6199 0.2119 0.4682 -0.2846 -0.8366 -0.4583 0.7312 -0.5052 -22.280 18.071 96.073 A 14 ASP A 81 ASP.? A 16 HIS A 70 HIS^? A 67 GLY A 84 GLY.? ULMNm 3 1ddj_c15 PLASMINOGEN user 1 3 RMSD = 1.18 A TRANSFORM -0.4578 0.5842 -0.6701 0.1030 -0.7138 -0.6927 -0.8831 -0.3862 0.2666 -17.425 73.614 44.935 D 603 HIS A 7 HIS~? D 646 ASP A 11 ASP~? D 739 GLY A 36 GLY.? ULMNm 3 1cb7_c07 GLUTAMATE MUTASE user 1 3 RMSD = 1.18 A TRANSFORM 0.6443 0.7579 0.1026 -0.4676 0.2842 0.8370 0.6052 -0.5872 0.5375 -18.647 13.114 63.133 C 14 ASP A 81 ASP.? C 16 HIS A 70 HIS^? C 67 GLY A 84 GLY.? ULMNm 3 3iu0_o00 PROTEIN-GLUTAMINE GAMMA-GLUTAMYLTRANuser 1 3 RMSD = 1.20 A TRANSFORM 0.9439 -0.2718 0.1877 -0.2659 -0.9623 -0.0564 0.1960 0.0033 -0.9806 -24.598 5.382 21.005 A 110 CYH A 80 CYH^? A 301 ASP A 81 ASP.? A 320 HIS A 70 HIS^? ULMNm 3 1ddj_c12 PLASMINOGEN user 1 3 RMSD = 1.22 A TRANSFORM 0.7683 0.3091 0.5605 -0.5675 -0.0760 0.8198 0.2960 -0.9480 0.1170 -11.281 34.963 11.642 A 603 HIS A 7 HIS~? A 646 ASP A 11 ASP~? A 739 GLY A 36 GLY.? ULMNm 3 1eyi_c00 FRUCTOSE-1,6-BISPHOSPHATASE user 2 3 RMSD = 1.22 A TRANSFORM -0.0481 -0.0245 0.9985 0.7428 -0.6692 0.0194 0.6678 0.7426 0.0504 6.943 6.491 -14.658 A 68 ASP A 27 ASP.? A 74 ASP A 29 ASP.? A 98 GLU A 44 GLU.? ULMNm 3 1a0j_c15 TRYPSIN user 1 3 RMSD = 1.24 A TRANSFORM -0.1772 0.7894 0.5878 0.9655 0.2552 -0.0516 -0.1907 0.5584 -0.8074 -20.403 -4.263 123.468 D 57 HIS A 70 HIS^? D 102 ASP A 81 ASP.? D 193 GLY A 67 GLY.? ULMNm 3 1a0j_c14 TRYPSIN user 1 3 RMSD = 1.25 A TRANSFORM 0.6651 -0.5652 0.4881 0.6192 0.0522 -0.7835 0.4173 0.8233 0.3847 9.934 58.869 40.779 C 57 HIS A 70 HIS^? C 102 ASP A 81 ASP.? C 193 GLY A 67 GLY.? ULMNm 3 1a0j_c13 TRYPSIN user 1 3 RMSD = 1.25 A TRANSFORM 0.2290 0.6265 -0.7450 0.9347 -0.3552 -0.0113 -0.2717 -0.6938 -0.6670 60.660 32.633 91.753 B 57 HIS A 70 HIS^? B 102 ASP A 81 ASP.? B 193 GLY A 67 GLY.? ULMNm 3 1ds2_c02 PROTEINASE B (SGPB user 1 3 RMSD = 1.27 A TRANSFORM -0.9926 0.1211 0.0040 0.0757 0.5941 0.8008 0.0946 0.7952 -0.5989 28.250 -12.200 37.467 E 57 HIS A 70 HIS^? E 102 ASP A 81 ASP.? E 193 GLY A 67 GLY.? ULMNm 3 1a0j_c12 TRYPSIN user 1 3 RMSD = 1.27 A TRANSFORM -0.6774 -0.7332 -0.0592 -0.5870 0.4903 0.6443 -0.4434 0.4712 -0.7625 49.430 21.807 93.510 A 57 HIS A 70 HIS^? A 102 ASP A 81 ASP.? A 193 GLY A 67 GLY.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 3 3 RMSD = 1.28 A TRANSFORM 0.1385 -0.0202 0.9902 -0.9903 -0.0121 0.1383 0.0092 -0.9997 -0.0217 -34.977 16.898 21.186 141 ASP A 72 ASP^? 166 GLY A 37 GLY.? 169 GLU A 33 GLU^? ULMNm 3 2lpr_c02 ALPHA-LYTIC PROTEASE user 1 3 RMSD = 1.28 A TRANSFORM 0.6900 0.4181 0.5908 -0.2676 0.9058 -0.3285 -0.6725 0.0686 0.7369 -25.525 35.883 3.230 A 57 HIS A 70 HIS^? A 102 ASP A 81 ASP.? A 193 GLY A 67 GLY.? ULMNm 3 1bwp_c01 PLATELET-ACTIVATING FACTOR ACETYLHYDuser 2 3 RMSD = 1.29 A TRANSFORM 0.2464 -0.7523 0.6110 0.9097 0.3969 0.1219 -0.3342 0.5258 0.7822 37.339 -29.369 -1.690 104 ASN A 52 ASN^? 192 ASP A 81 ASP.? 195 HIS A 70 HIS^? ULMNm 3 1ddj_c13 PLASMINOGEN user 1 3 RMSD = 1.29 A TRANSFORM -0.2397 0.5595 -0.7934 0.0322 -0.8122 -0.5824 -0.9703 -0.1652 0.1767 -11.776 75.191 -20.197 B 603 HIS A 7 HIS~? B 646 ASP A 11 ASP~? B 739 GLY A 36 GLY.? ULMNm 3 1cjy_c01 CYTOSOLIC PHOSPHOLIPASE A2 user 2 3 RMSD = 1.30 A TRANSFORM -0.1622 0.1852 -0.9692 -0.7445 -0.6676 -0.0030 -0.6476 0.7211 0.2462 144.761 110.860 125.719 B1198 GLY A 100 GLY~? B1228 SER A 28 SER.? B1549 ASP A 27 ASP.? ULMNm 3 1ehy_c02 SOLUBLE EPOXIDE HYDROLASE user 1 3 RMSD = 1.31 A TRANSFORM 0.5077 0.0751 -0.8583 -0.8484 0.2168 -0.4829 0.1498 0.9733 0.1738 36.223 53.835 45.950 C 107 ASP A 3 ASP~? C 246 ASP A 81 ASP.? C 275 HIS A 58 HIS.? ULMNm 3 1rtf_c06 TWO CHAIN TISSUE PLASMINOGEN ACTIVATuser 1 3 RMSD = 1.31 A TRANSFORM 0.5940 0.0847 0.8000 -0.3838 0.9038 0.1893 -0.7070 -0.4195 0.5693 -47.243 16.658 39.511 B 57 HIS A 70 HIS^? B 102 ASP A 81 ASP.? B 193 GLY A 67 GLY.? ULMNm 3 1ssx_c02 ALPHA-LYTIC PROTEASE user 1 3 RMSD = 1.32 A TRANSFORM 0.6820 0.4312 0.5907 -0.2704 0.8991 -0.3442 -0.6795 0.0750 0.7298 -25.481 36.600 3.585 A 57 HIS A 70 HIS^? A 102 ASP A 81 ASP.? A 193 GLY A 67 GLY.? ULMNm 3 1ehy_c00 SOLUBLE EPOXIDE HYDROLASE user 1 3 RMSD = 1.34 A TRANSFORM -0.2843 -0.3912 -0.8753 0.8797 0.2565 -0.4004 0.3812 -0.8838 0.2712 73.234 47.694 51.020 A 107 ASP A 3 ASP~? A 246 ASP A 72 ASP^? A 275 HIS A 58 HIS.? ULMNm 3 1bol_c00 RIBONUCLEASE RH user 2 3 RMSD = 1.35 A TRANSFORM -0.4341 -0.8936 -0.1143 -0.8391 0.4473 -0.3096 0.3278 -0.0385 -0.9440 64.632 40.012 33.630 A 46 HIS A 58 HIS.? A 105 GLU A 55 GLU~? A 109 HIS A 7 HIS~? ULMNm 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 2 3 RMSD = 1.36 A TRANSFORM 0.4195 0.6452 -0.6385 -0.5044 -0.4191 -0.7549 -0.7547 0.6388 0.1496 27.798 29.341 61.072 A 198 GLY A 100 GLY~? A 228 SER A 28 SER.? A 549 ASP A 27 ASP.? ULMNm 3 1pp4_c02 RHAMNOGALACTURONAN ACETYLESTERASE user 2 3 RMSD = 1.37 A TRANSFORM -0.3073 -0.4000 0.8634 -0.7881 0.6156 0.0047 -0.5334 -0.6790 -0.5044 -21.623 52.571 62.033 A 74 ASN A 52 ASN^? A 192 ASP A 81 ASP.? A 195 HIS A 70 HIS^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 2 3 RMSD = 1.39 A TRANSFORM 0.3299 0.5477 -0.7689 0.0994 -0.8301 -0.5486 -0.9388 0.1046 -0.3283 0.380 40.273 16.725 141 ASP A 22 ASP~? 166 GLY A 37 GLY.? 169 GLU A 55 GLU~? ULMNm 3 1ehy_c01 SOLUBLE EPOXIDE HYDROLASE user 1 3 RMSD = 1.40 A TRANSFORM 0.3987 -0.7445 0.5355 -0.2851 0.4544 0.8439 -0.8716 -0.4892 -0.0310 25.093 12.452 94.637 B 107 ASP A 3 ASP~? B 246 ASP A 81 ASP.? B 275 HIS A 58 HIS.? ULMNm 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 5 3 RMSD = 1.41 A TRANSFORM 0.6708 -0.7309 -0.1262 0.5707 0.6173 -0.5415 0.4737 0.2912 0.8312 11.194 40.518 -2.550 179 ASP A 25 ASP.? 227 GLU A 92 GLU~? 289 ASP A 27 ASP.? ULMNm 3 1pp4_c03 RHAMNOGALACTURONAN ACETYLESTERASE user 2 3 RMSD = 1.41 A TRANSFORM 0.7729 0.2363 0.5888 0.2418 -0.9677 0.0710 0.5866 0.0875 -0.8052 -31.986 60.137 26.422 B 74 ASN A 52 ASN^? B 192 ASP A 81 ASP.? B 195 HIS A 70 HIS^? ULMNm 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 1.43 A TRANSFORM -0.0081 -0.5665 -0.8240 -0.2649 -0.7934 0.5481 -0.9643 0.2227 -0.1436 58.582 -68.582 -103.176 A 183 GLY A 67 GLY.? B 419 GLY A 68 GLY^? B 420 ALA A 63 ALA^? ULMNm 3 1ehy_c03 SOLUBLE EPOXIDE HYDROLASE user 1 3 RMSD = 1.44 A TRANSFORM -0.9104 -0.4002 0.1045 0.2099 -0.6647 -0.7170 0.3564 -0.6309 0.6892 43.145 62.947 63.223 D 107 ASP A 3 ASP~? D 246 ASP A 81 ASP.? D 275 HIS A 58 HIS.? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 2 3 RMSD = 1.45 A TRANSFORM -0.5506 -0.0811 -0.8308 -0.0144 0.9960 -0.0877 0.8346 -0.0363 -0.5496 39.641 5.240 70.629 A 241 ASP A 25 ASP.? A 265 GLU A 33 GLU^? A 369 ASP A 27 ASP.? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 1 3 RMSD = 1.45 A TRANSFORM 0.1566 0.1289 0.9792 -0.1358 0.9848 -0.1079 -0.9783 -0.1161 0.1717 10.735 -13.915 21.361 A 67 ASP A 11 ASP~? A 68 ALA A 10 ALA~? A 72 LEU A 9 LEU~? ULMNm 3 1rgq_c01 NS4A PEPTIDE user 2 3 RMSD = 1.46 A TRANSFORM -0.8663 0.3489 0.3575 0.3225 0.9372 -0.1332 -0.3815 -0.0001 -0.9244 19.275 5.806 24.381 B 60 HIS A 70 HIS^? B 84 ASP A 81 ASP.? B 140 GLY A 67 GLY.? ULMNm 3 1gns_c00 SUBTILISIN BPN' user 2 3 RMSD = 1.48 A TRANSFORM -0.5064 0.7950 -0.3339 0.8299 0.3442 -0.4391 -0.2341 -0.4994 -0.8341 15.307 35.262 71.955 A 32 ASP A 81 ASP.? A 64 HIS A 70 HIS^? A 155 ASN A 52 ASN^? ULMNm 3 1sca_c01 SUBTILISIN CARLSBERG (E.C.3.4.21.62)user 2 3 RMSD = 1.50 A TRANSFORM 0.4469 0.7841 -0.4306 -0.0445 0.5002 0.8648 0.8935 -0.3673 0.2585 77.424 29.793 39.160 32 ASP A 81 ASP.? 64 HIS A 70 HIS^? 155 ASN A 52 ASN^?