*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1cns_c01 CHITINASE user 4 3 RMSD = 0.95 A TRANSFORM 0.4911 -0.4868 -0.7223 -0.6718 0.3161 -0.6699 -0.5544 -0.8143 0.1718 52.341 -10.972 105.115 B 67 GLU B 5 GLU~? B 89 GLU B 79 GLU~? B 120 SER B 111 SER~? ULMNm 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 3 3 RMSD = 1.07 A TRANSFORM 0.2442 0.9566 -0.1593 0.8942 -0.2857 -0.3448 0.3753 0.0582 0.9251 -24.716 -56.104 -144.344 A 183 GLY B 20 GLY~? B 419 GLY B 18 GLY~? B 420 ALA B 15 ALA~? ULMNm 3 1cns_c00 CHITINASE user 4 3 RMSD = 1.20 A TRANSFORM -0.0814 -0.1914 0.9781 -0.1532 0.9721 0.1774 0.9848 0.1354 0.1085 -34.331 -57.318 39.387 A 67 GLU B 5 GLU~? A 89 GLU B 79 GLU~? A 120 SER B 111 SER~? ULMNm 3 3hde_o02 LYSOZYME user 10 3 RMSD = 1.22 A TRANSFORM 0.4408 -0.8353 0.3286 0.4956 -0.0787 -0.8650 -0.7484 -0.5441 -0.3792 42.428 0.577 48.845 C 35 GLU B 118 GLU^? C 44 ASP A 121 ASP~? C 50 THR B 122 THR~? ULMNm 3 3hde_o02 LYSOZYME user 6 3 RMSD = 1.23 A TRANSFORM -0.3281 0.1333 -0.9352 -0.3293 -0.9440 -0.0190 0.8854 -0.3017 -0.3537 41.104 53.216 -13.589 C 35 GLU A 118 GLU^? C 44 ASP B 121 ASP~? C 50 THR A 122 THR~? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 1.23 A TRANSFORM 0.3038 -0.3352 0.8918 0.7485 0.6631 -0.0057 0.5894 -0.6693 -0.4524 16.905 -172.617 -115.771 A 420 ALA A 15 ALA~? B 182 GLY A 20 GLY~? B 183 GLY A 18 GLY~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 12 3 RMSD = 1.27 A TRANSFORM 0.1787 0.6327 -0.7535 0.4451 0.6310 0.6354 -0.8775 0.4489 0.1689 18.232 -11.624 12.951 A 229 ALA B 128 ALA~? A 257 ALA B 126 ALA~? A 328 ASP B 121 ASP~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 5 3 RMSD = 1.29 A TRANSFORM -0.1301 -0.6774 0.7241 -0.6471 0.6113 0.4556 0.7512 0.4093 0.5179 65.552 26.031 -41.409 A 229 ALA A 128 ALA~? A 257 ALA A 126 ALA~? A 328 ASP A 121 ASP~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 3 3 RMSD = 1.32 A TRANSFORM 0.1192 0.5374 -0.8349 0.0395 -0.8428 -0.5368 0.9921 -0.0310 0.1217 -14.079 52.487 -33.910 141 ASP A 101 ASP^? 166 GLY A 45 GLY^? 169 GLU A 34 GLU^? ULMNm 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 RMSD = 1.32 A TRANSFORM -0.3738 -0.2014 0.9054 -0.7177 -0.5555 -0.4199 -0.5875 0.8068 -0.0631 31.245 7.853 -134.410 A 183 GLY A 20 GLY~? B 419 GLY A 18 GLY~? B 420 ALA A 15 ALA~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 8 3 RMSD = 1.33 A TRANSFORM -0.3220 -0.9415 0.0995 -0.2389 0.1825 0.9537 0.9161 -0.2833 0.2837 82.020 19.681 -7.849 A 229 ALA B 126 ALA~? A 257 ALA B 128 ALA~? A 328 ASP B 100 ASP^? ULMNm 3 3hde_o01 LYSOZYME user 8 3 RMSD = 1.33 A TRANSFORM 0.8666 0.1308 -0.4816 -0.4871 0.0117 -0.8733 0.1086 -0.9913 -0.0738 -32.487 9.673 16.302 B 35 GLU B 118 GLU^? B 44 ASP A 121 ASP~? B 50 THR B 122 THR~? ULMNm 3 3hde_o00 LYSOZYME user 5 3 RMSD = 1.33 A TRANSFORM 0.5045 -0.3887 -0.7710 0.5261 0.8464 -0.0825 -0.6847 0.3640 -0.6315 2.838 -73.390 -15.926 A 35 GLU B 40 GLU~? A 44 ASP A 121 ASP~? A 50 THR B 122 THR~? ULMNm 3 3hde_o01 LYSOZYME user 5 3 RMSD = 1.33 A TRANSFORM -0.7883 -0.6117 0.0669 0.6092 -0.7605 0.2248 0.0866 -0.2179 -0.9721 44.887 -5.686 -4.878 B 35 GLU A 118 GLU^? B 44 ASP B 121 ASP~? B 50 THR A 122 THR~? ULMNm 3 2bhg_c02 FOOT-AND-MOUTH DISEASE VIRUS 3C PROTuser 4 3 RMSD = 1.34 A TRANSFORM -0.4917 0.6087 -0.6226 -0.5156 -0.7797 -0.3552 0.7017 -0.1464 -0.6973 1.023 60.075 3.992 B 46 HIS B 50 HIS~? B 163 ALA B 30 ALA^? B 182 SER B 29 SER^? ULMNm 3 2bhg_c02 FOOT-AND-MOUTH DISEASE VIRUS 3C PROTuser 2 3 RMSD = 1.37 A TRANSFORM 0.5221 -0.4161 0.7445 0.6761 -0.3301 -0.6587 -0.5198 -0.8473 -0.1090 -4.019 7.972 64.406 B 46 HIS A 50 HIS~? B 163 ALA A 30 ALA^? B 182 SER A 29 SER^? ULMNm 3 1thg_c00 LIPASE (E.C.3.1.1.3) TRIACYLGLYCEROLuser 1 3 RMSD = 1.38 A TRANSFORM -0.1357 -0.5101 0.8493 0.4944 0.7080 0.5043 0.8586 -0.4883 -0.1561 75.986 -43.555 20.299 217 SER B 29 SER^? 354 GLU B 31 GLU^? 463 HIS B 50 HIS~? ULMNm 3 2bhg_c02 FOOT-AND-MOUTH DISEASE VIRUS 3C PROTuser 1 3 RMSD = 1.38 A TRANSFORM 0.6399 -0.7682 0.0212 -0.7384 -0.6223 -0.2596 -0.2127 -0.1505 0.9655 30.511 68.590 -15.115 B 46 HIS A 50 HIS~? B 163 ALA A 27 ALA~? B 182 SER A 29 SER^? ULMNm 3 1qrz_c13 PLASMINOGEN user 2 3 RMSD = 1.38 A TRANSFORM 0.4607 -0.7444 0.4833 0.5257 -0.2098 -0.8244 -0.7151 -0.6339 -0.2947 -10.627 10.125 48.501 B 603 HIS B 50 HIS~? B 646 ASP B 32 ASP^? B 741 SER B 29 SER^? ULMNm 3 2bhg_c02 FOOT-AND-MOUTH DISEASE VIRUS 3C PROTuser 3 3 RMSD = 1.38 A TRANSFORM -0.4236 -0.1653 -0.8906 0.8999 -0.1887 -0.3931 0.1031 0.9680 -0.2287 49.621 0.381 -57.937 B 46 HIS B 50 HIS~? B 163 ALA B 27 ALA~? B 182 SER B 29 SER^? ULMNm 3 1qrz_c15 PLASMINOGEN user 2 3 RMSD = 1.39 A TRANSFORM 0.8069 0.3766 0.4551 -0.5535 0.2126 0.8053 -0.2066 0.9016 -0.3800 -90.913 -15.716 -5.315 D 603 HIS B 50 HIS~? D 646 ASP B 32 ASP^? D 741 SER B 29 SER^? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 4 3 RMSD = 1.40 A TRANSFORM -0.4075 -0.6362 0.6551 -0.5753 0.7360 0.3568 0.7092 0.2315 0.6660 24.742 23.002 110.942 A 70 ALA B 124 ALA~? A 126 LEU B 123 LEU~? A 158 GLU A 40 GLU.? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 2 3 RMSD = 1.40 A TRANSFORM 0.4245 0.0536 -0.9038 0.0194 0.9975 0.0683 -0.9052 0.0465 -0.4224 28.708 -12.290 44.763 A 229 ALA A 126 ALA~? A 257 ALA A 128 ALA~? A 328 ASP A 100 ASP^? ULMNm 3 1qrz_c12 PLASMINOGEN user 2 3 RMSD = 1.41 A TRANSFORM 0.4369 -0.7354 0.5180 0.5090 -0.2727 -0.8164 -0.7417 -0.6203 -0.2552 16.629 14.322 86.241 A 603 HIS B 50 HIS~? A 646 ASP B 32 ASP^? A 741 SER B 29 SER^? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 4 3 RMSD = 1.41 A TRANSFORM 0.7654 -0.2957 -0.5715 -0.0613 -0.9177 0.3926 0.6406 0.2655 0.7206 -43.778 35.155 113.593 B 70 ALA B 124 ALA~? B 126 LEU B 123 LEU~? B 158 GLU A 40 GLU.? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 5 3 RMSD = 1.42 A TRANSFORM -0.2823 0.9593 -0.0065 0.7014 0.2018 -0.6837 0.6545 0.1975 0.7298 -19.017 -30.435 114.360 C 70 ALA B 124 ALA~? C 126 LEU B 123 LEU~? C 158 GLU A 40 GLU.? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 4 3 RMSD = 1.43 A TRANSFORM -0.8645 -0.4926 -0.0995 -0.4068 0.5697 0.7141 0.2951 -0.6578 0.6929 95.279 15.078 16.827 A 229 ALA A 128 ALA~? A 257 ALA A 124 ALA~? A 328 ASP A 100 ASP^? ULMNm 3 1qe3_c00 PARA-NITROBENZYL ESTERASE user 1 3 RMSD = 1.44 A TRANSFORM -0.7146 0.6590 -0.2346 -0.4153 -0.6695 -0.6158 0.5629 0.3427 -0.7521 -24.625 92.405 30.787 A 189 SER B 29 SER^? A 310 GLU B 31 GLU^? A 399 HIS B 50 HIS~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 2 3 RMSD = 1.45 A TRANSFORM 0.9872 0.0185 0.1582 -0.0542 0.9731 0.2241 0.1498 0.2298 -0.9617 -27.442 -27.331 52.570 A 316 ALA A 16 ALA~? A 317 GLY A 24 GLY~? A 318 ASP A 21 ASP~? ULMNm 3 1qrz_c14 PLASMINOGEN user 2 3 RMSD = 1.45 A TRANSFORM 0.8446 0.3530 0.4025 -0.4963 0.2345 0.8359 -0.2007 0.9058 -0.3732 -35.806 -18.459 -43.929 C 603 HIS B 50 HIS~? C 646 ASP B 32 ASP^? C 741 SER B 29 SER^? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 1 3 RMSD = 1.46 A TRANSFORM 0.4038 0.6711 -0.6217 0.3688 0.5025 0.7820 -0.8372 0.5451 0.0446 -40.674 -2.059 154.436 A 70 ALA A 124 ALA~? A 126 LEU A 123 LEU~? A 158 GLU B 40 GLU~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 3 3 RMSD = 1.46 A TRANSFORM -0.9429 -0.0818 -0.3229 -0.3325 0.2885 0.8979 -0.0197 -0.9540 0.2992 45.129 0.314 93.272 A 316 ALA B 16 ALA~? A 317 GLY B 24 GLY~? A 318 ASP B 21 ASP~? ULMNm 3 3hde_o00 LYSOZYME user 3 3 RMSD = 1.46 A TRANSFORM 0.3245 -0.2323 0.9169 -0.8729 0.2999 0.3849 0.3644 0.9252 0.1055 -16.327 -9.754 -77.159 A 35 GLU A 118 GLU^? A 44 ASP B 121 ASP~? A 50 THR A 122 THR~? ULMNm 3 3hde_o00 LYSOZYME user 6 3 RMSD = 1.46 A TRANSFORM -0.4158 0.8060 -0.4212 0.7316 0.5715 0.3715 -0.5402 0.1537 0.8274 -20.620 -72.019 -24.458 A 35 GLU B 118 GLU^? A 44 ASP A 121 ASP~? A 50 THR B 122 THR~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 1 3 RMSD = 1.46 A TRANSFORM -0.5977 -0.7163 -0.3602 0.1608 0.3330 -0.9291 -0.7854 0.6133 0.0838 14.494 -8.731 152.029 B 70 ALA A 124 ALA~? B 126 LEU A 123 LEU~? B 158 GLU B 40 GLU~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 1 3 RMSD = 1.47 A TRANSFORM 0.1028 0.1109 0.9885 -0.6073 -0.7800 0.1507 -0.7878 0.6158 0.0128 -7.327 42.317 151.291 C 70 ALA A 124 ALA~? C 126 LEU A 123 LEU~? C 158 GLU B 40 GLU~? ULMNm 3 1kim_c00 THYMIDINE KINASE user 1 3 RMSD = 1.49 A TRANSFORM -0.4422 -0.4798 0.7578 0.8569 0.0236 0.5149 0.2649 -0.8771 -0.4007 62.028 37.344 99.301 A 83 GLU A 79 GLU~? A 163 ARG A 80 ARG^? A 222 ARG A 109 ARG^? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 10 3 RMSD = 1.49 A TRANSFORM 0.9582 -0.0387 -0.2835 0.1872 0.8340 0.5190 -0.2164 0.5503 -0.8064 20.320 -12.413 0.349 A 229 ALA B 128 ALA~? A 257 ALA B 124 ALA~? A 328 ASP B 100 ASP^? ULMNm 3 1oqz_c01 GLUTARYL ACYLASE user 3 3 RMSD = 1.49 A TRANSFORM -0.5288 -0.6288 0.5701 0.0032 0.6702 0.7422 0.8488 -0.3943 0.3523 64.700 -56.281 2.674 B 170 SER B 2 SER~? B 239 VAL B 7 VAL~? B 413 ASN B 6 ASN~? ULMNm 3 1xs1_c07 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 5 3 RMSD = 1.50 A TRANSFORM -0.0534 -0.9959 -0.0728 -0.3686 0.0874 -0.9255 -0.9281 0.0226 0.3717 39.423 22.330 50.868 B 124 ALA A 126 ALA~? B 126 ARG A 96 ARG~? B 138 GLU A 40 GLU.?