*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 RMSD = 0.83 A TRANSFORM 0.5668 -0.7526 -0.3352 0.6737 0.6576 -0.3372 -0.4742 0.0347 -0.8797 49.591 -137.885 -96.867 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 = 0.94 A TRANSFORM -0.5563 0.7482 0.3616 -0.5437 -0.6568 0.5225 -0.6284 -0.0940 -0.7722 61.247 -54.555 -87.863 A 420 ALA A 100 ALA~? B 182 GLY A 105 GLY.? B 183 GLY A 104 GLY.? ULMNm 3 2qv4_p00 PANCREATIC ALPHA-AMYLASE user 5 3 RMSD = 1.02 A TRANSFORM 0.5488 0.2468 -0.7987 -0.8328 0.0790 -0.5479 0.0722 -0.9658 -0.2489 -7.834 131.811 43.090 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 1 3 RMSD = 1.03 A TRANSFORM 0.8333 -0.4894 0.2570 0.3135 0.8013 0.5095 0.4553 0.3440 -0.8212 -19.570 68.859 -17.109 A 459 ASN A 12 ASN.? A 460 GLY A 13 GLY.? A 461 ASN A 14 ASN~? ULMNm 3 2qv4_p00 PANCREATIC ALPHA-AMYLASE user 4 3 RMSD = 1.04 A TRANSFORM -0.0640 0.4967 0.8656 0.4023 -0.7809 0.4779 -0.9132 -0.3789 0.1498 -5.496 103.515 59.111 A 459 ASN B 12 ASN.? A 460 GLY B 13 GLY.? A 461 ASN B 14 ASN~? ULMNm 3 2qv4_p00 PANCREATIC ALPHA-AMYLASE user 2 3 RMSD = 1.05 A TRANSFORM -0.9403 -0.2303 0.2508 -0.2287 -0.1183 -0.9663 -0.2522 0.9659 -0.0586 67.386 110.553 9.737 A 459 ASN A 14 ASN~? A 460 GLY A 13 GLY.? A 461 ASN A 12 ASN.? ULMNm 3 1lio_c01 ADENOSINE KINASE user 2 3 RMSD = 1.09 A TRANSFORM 0.8202 0.4275 -0.3801 0.3660 -0.9029 -0.2256 0.4396 -0.0459 0.8970 -6.006 39.863 9.065 A 316 ALA B 102 ALA~? A 317 GLY B 105 GLY.? A 318 ASP B 125 ASP^? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 1 3 RMSD = 1.10 A TRANSFORM -0.4480 0.8928 0.0467 0.8058 0.4259 -0.4114 0.3872 0.1467 0.9102 3.480 -45.287 -34.959 14 ASP A 69 ASP^? 16 HIS A 71 HIS.? 67 GLY B 78 GLY.? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 4 3 RMSD = 1.20 A TRANSFORM -0.2316 -0.9495 0.2116 -0.7788 0.0506 -0.6253 -0.5830 0.3096 0.7512 84.861 73.348 14.613 A 229 ALA B 56 ALA^? A 257 ALA B 67 ALA^? A 328 ASP B 69 ASP^? ULMNm 3 1lio_c01 ADENOSINE KINASE user 1 3 RMSD = 1.21 A TRANSFORM -0.6170 -0.4539 0.6428 -0.3809 0.8871 0.2608 0.6886 0.0839 0.7202 75.713 28.510 -4.749 A 316 ALA A 102 ALA~? A 317 GLY A 105 GLY.? A 318 ASP A 125 ASP.? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 2 3 RMSD = 1.25 A TRANSFORM -0.5349 0.7763 0.3334 0.7478 0.6187 -0.2409 0.3933 -0.1204 0.9115 5.317 -45.931 -32.857 14 ASP A 69 ASP^? 16 HIS A 71 HIS.? 67 GLY B 128 GLY^? ULMNm 3 2v3r_p00 EXOGLUCANASE 1 user 1 3 RMSD = 1.26 A TRANSFORM -0.5337 -0.1680 -0.8288 -0.8110 0.3795 0.4454 -0.2397 -0.9098 0.3388 51.337 97.391 133.040 A 270 ASN A 12 ASN.? A 384 ASN A 99 ASN~? A 385 GLU A 103 GLU~? ULMNm 3 1qrz_c23 PLASMINOGEN user 1 3 RMSD = 1.26 A TRANSFORM -0.9136 0.1079 0.3921 0.2553 -0.5984 0.7594 -0.3165 -0.7939 -0.5192 4.792 -21.659 84.200 D 603 HIS A 25 HIS~? D 646 ASP A 125 ASP.? D 739 GLY A 28 GLY.? ULMNm 3 1lij_c01 ADENOSINE KINASE user 2 3 RMSD = 1.28 A TRANSFORM -0.9623 0.0028 -0.2718 0.2607 0.2925 -0.9200 -0.0769 0.9562 0.2823 183.826 19.399 -33.489 A 316 ALA B 102 ALA~? A 317 GLY B 105 GLY.? A 318 ASP B 125 ASP^? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 2 3 RMSD = 1.32 A TRANSFORM 0.1949 0.5997 0.7761 0.3018 0.7163 -0.6292 0.9333 -0.3568 0.0414 -22.831 -40.409 -72.449 B 250 ALA B 102 ALA~? B 251 GLY B 105 GLY.? B 252 ASP B 125 ASP^? ULMNm 3 1gdo_c03 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 2 3 RMSD = 1.33 A TRANSFORM -0.1948 -0.8550 -0.4806 0.9754 -0.2205 -0.0030 0.1034 0.4693 -0.8770 72.482 -22.144 75.893 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 = 1.34 A TRANSFORM 0.2022 0.8499 0.4866 -0.9746 0.2237 0.0143 0.0967 0.4771 -0.8735 -37.458 28.631 32.807 A 1 CYH B 15 CYH~? A 98 ASN B 14 ASN~? A 99 GLY B 13 GLY.? ULMNm 3 1boo_c00 N-4 CYTOSINE-SPECIFIC METHYLTRANSFERuser 1 3 RMSD = 1.34 A TRANSFORM -0.8580 0.4420 0.2618 0.2862 -0.0119 0.9581 -0.4266 -0.8969 0.1163 16.059 19.986 110.927 A 53 SER B 39 SER.? A 54 PRO B 40 PRO.? A 96 ASP B 38 ASP.? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 1 3 RMSD = 1.34 A TRANSFORM 0.3108 0.9343 -0.1745 -0.2805 -0.0852 -0.9561 0.9082 -0.3461 -0.2356 15.642 55.103 -33.726 A 229 ALA A 56 ALA^? A 257 ALA A 67 ALA^? A 328 ASP A 69 ASP^? ULMNm 3 1hkd_p00 PEA LECTIN ALPHA CHAIN user 2 3 RMSD = 1.34 A TRANSFORM 0.1718 -0.5829 -0.7941 -0.4063 0.6924 -0.5962 -0.8974 -0.4251 0.1179 -10.329 60.888 34.584 A 81 ASP A 69 ASP^? A 99 GLY A 13 GLY.? A 125 ASN A 14 ASN~? ULMNm 3 1gdo_c01 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 2 3 RMSD = 1.34 A TRANSFORM 0.2230 0.8351 0.5029 -0.9693 0.2447 0.0234 0.1036 0.4927 -0.8640 -2.924 70.805 31.861 D 1 CYH B 15 CYH~? D 98 ASN B 14 ASN~? D 99 GLY B 13 GLY.? ULMNm 3 1gdo_c00 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 2 3 RMSD = 1.35 A TRANSFORM -0.2385 -0.8341 -0.4973 0.9654 -0.2591 -0.0284 0.1052 0.4869 -0.8671 109.064 19.240 75.084 B 1 CYH B 15 CYH~? B 98 ASN B 14 ASN~? B 99 GLY B 13 GLY.? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 2 3 RMSD = 1.37 A TRANSFORM -0.5452 -0.4104 0.7309 -0.2879 -0.7272 -0.6231 -0.7873 0.5502 -0.2783 42.728 26.631 14.442 A 250 ALA B 102 ALA~? A 251 GLY B 105 GLY.? A 252 ASP B 125 ASP^? ULMNm 3 1jxa_c02 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 2 3 RMSD = 1.38 A TRANSFORM 0.6248 0.7504 0.2157 0.7378 -0.6578 0.1511 -0.2553 -0.0648 0.9647 -88.447 -5.127 -1.563 A 1 CYH B 15 CYH~? A 98 ASN B 14 ASN~? A 99 GLY B 13 GLY.? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 5 3 RMSD = 1.38 A TRANSFORM -0.4988 -0.8508 0.1655 -0.8664 0.4945 -0.0692 0.0229 0.1779 0.9838 57.497 23.270 119.022 C 70 ALA B 64 ALA^? C 126 LEU B 58 LEU^? C 158 GLU B 31 GLU^? ULMNm 3 1gdo_c03 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 1 3 RMSD = 1.38 A TRANSFORM -0.3554 0.8623 -0.3608 -0.3522 0.2340 0.9062 -0.8658 -0.4491 -0.2206 37.282 23.421 140.128 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 = 1.39 A TRANSFORM 0.3582 -0.8572 0.3701 0.3624 -0.2377 -0.9012 -0.8605 -0.4569 -0.2255 -2.315 -17.170 96.912 A 1 CYH A 15 CYH~? A 98 ASN A 14 ASN~? A 99 GLY A 13 GLY.? ULMNm 3 1oqz_c00 GLUTARYL ACYLASE user 5 3 RMSD = 1.39 A TRANSFORM -0.5458 -0.3212 0.7739 -0.7970 -0.0859 -0.5978 -0.2585 0.9431 0.2091 95.227 92.863 41.433 A 170 SER B 85 SER^? A 239 VAL A 6 VAL^? A 413 ASN B 87 ASN^? ULMNm 3 1hkd_p00 PEA LECTIN ALPHA CHAIN user 4 3 RMSD = 1.40 A TRANSFORM -0.7988 0.5941 -0.0946 -0.4343 -0.6783 -0.5926 0.4163 0.4323 -0.7999 1.667 95.234 -42.412 A 81 ASP B 69 ASP^? A 99 GLY B 13 GLY.? A 125 ASN B 14 ASN~? ULMNm 3 1gdo_c01 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 1 3 RMSD = 1.40 A TRANSFORM 0.3662 -0.8425 0.3949 0.3684 -0.2585 -0.8930 -0.8545 -0.4726 -0.2157 32.033 26.000 96.772 D 1 CYH A 15 CYH~? D 98 ASN A 14 ASN~? D 99 GLY A 13 GLY.? ULMNm 3 1gdo_c00 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 1 3 RMSD = 1.41 A TRANSFORM -0.3554 0.8413 -0.4074 -0.3713 0.2729 0.8875 -0.8578 -0.4667 -0.2154 73.032 63.294 139.920 B 1 CYH A 15 CYH~? B 98 ASN A 14 ASN~? B 99 GLY A 13 GLY.? ULMNm 3 1lij_c01 ADENOSINE KINASE user 1 3 RMSD = 1.42 A TRANSFORM 0.0790 -0.0043 -0.9969 -0.9381 -0.3385 -0.0729 0.3372 -0.9409 0.0308 140.135 85.220 -5.560 A 316 ALA A 102 ALA~? A 317 GLY A 105 GLY.? A 318 ASP A 125 ASP.? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 6 3 RMSD = 1.42 A TRANSFORM 0.9976 0.0151 0.0673 0.0006 -0.9777 0.2099 -0.0690 0.2093 0.9754 -59.528 62.538 121.950 A 70 ALA B 64 ALA^? A 126 LEU B 58 LEU^? A 158 GLU B 31 GLU^? ULMNm 3 1oqz_c00 GLUTARYL ACYLASE user 3 3 RMSD = 1.43 A TRANSFORM 0.9210 0.3292 -0.2082 -0.2292 0.0258 -0.9730 0.3150 -0.9439 -0.0992 16.625 65.768 61.870 A 170 SER A 85 SER^? A 239 VAL B 6 VAL^? A 413 ASN A 87 ASN^? ULMNm 3 1o8s_p00 PUTATIVE ENDO-XYLANASE user 3 3 RMSD = 1.43 A TRANSFORM 0.1798 -0.9836 0.0170 0.8105 0.1383 -0.5692 -0.5575 -0.1161 -0.8220 15.483 1.119 62.393 A 56 TYR B 8 TYR^? A 112 PHE A 120 PHE^? A 140 ASN A 134 ASN^? ULMNm 3 1jxa_c02 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 1 3 RMSD = 1.44 A TRANSFORM -0.0334 -0.7464 0.6647 -0.1150 0.6635 0.7393 0.9928 0.0518 0.1080 -23.727 -1.177 -57.852 A 1 CYH A 15 CYH~? A 98 ASN A 14 ASN~? A 99 GLY A 13 GLY.? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 6 3 RMSD = 1.44 A TRANSFORM -0.5023 0.8556 -0.1253 0.8643 0.5013 -0.0413 -0.0275 0.1290 0.9913 -34.903 -57.523 124.306 B 70 ALA B 64 ALA^? B 126 LEU B 58 LEU^? B 158 GLU B 31 GLU^? ULMNm 3 2bhg_c02 FOOT-AND-MOUTH DISEASE VIRUS 3C PROTuser 2 3 RMSD = 1.44 A TRANSFORM 0.6112 -0.5493 0.5698 -0.7903 -0.3844 0.4772 0.0432 0.7420 0.6690 -6.097 36.610 -17.672 B 46 HIS A 55 HIS^? B 163 ALA A 67 ALA^? B 182 SER A 68 SER^? ULMNm 3 1oqz_c01 GLUTARYL ACYLASE user 5 3 RMSD = 1.44 A TRANSFORM 0.5502 0.3049 -0.7774 -0.8016 -0.0680 -0.5940 0.2340 -0.9499 -0.2071 10.374 58.315 14.939 B 170 SER B 85 SER^? B 239 VAL A 6 VAL^? B 413 ASN B 87 ASN^? ULMNm 3 1emh_d00 HYDROLASE/DNA user 3 3 RMSD = 1.45 A TRANSFORM -0.6509 0.5301 -0.5435 0.7522 0.3530 -0.5564 0.1031 0.7709 0.6285 32.138 -50.037 -32.718 A 271 PRO B 35 PRO^? A 272 LEU B 34 LEU^? A 276 ARG B 57 ARG^? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 4 3 RMSD = 1.45 A TRANSFORM 0.5150 -0.7739 -0.3686 -0.4906 -0.6187 0.6137 0.7030 0.1352 0.6983 -1.538 37.174 -52.257 14 ASP B 69 ASP^? 16 HIS B 71 HIS.? 67 GLY A 128 GLY.? ULMNm 3 2ag0_c09 BENZALDEHYDE LYASE user 2 3 RMSD = 1.45 A TRANSFORM 0.4502 0.8630 -0.2292 0.4541 -0.0003 0.8910 -0.7688 0.5052 0.3920 30.435 -50.659 45.332 A 29 HIS A 25 HIS~? A 50 GLU A 17 GLU~? A 113 GLN A 24 GLN~? ULMNm 3 2ag0_c10 BENZALDEHYDE LYASE user 2 3 RMSD = 1.46 A TRANSFORM 0.5731 0.7760 -0.2633 -0.4425 0.0226 -0.8965 0.6897 -0.6303 -0.3563 25.373 44.644 -5.126 C 29 HIS A 25 HIS~? C 50 GLU A 17 GLU~? C 113 GLN A 24 GLN~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.46 A TRANSFORM 0.6881 -0.5646 0.4558 -0.6593 -0.7488 0.0679 -0.3030 0.3472 0.8875 -15.873 35.307 -37.172 B 250 ALA A 102 ALA~? B 251 GLY A 105 GLY.? B 252 ASP A 125 ASP.? ULMNm 3 2ag0_c08 BENZALDEHYDE LYASE user 2 3 RMSD = 1.46 A TRANSFORM -0.4614 -0.8331 0.3050 -0.6033 0.5467 0.5806 0.6504 -0.0839 0.7549 80.362 10.450 -36.498 B 29 HIS A 25 HIS~? B 50 GLU A 17 GLU~? B 113 GLN A 24 GLN~? ULMNm 3 2ag0_c04 BENZALDEHYDE LYASE user 2 3 RMSD = 1.46 A TRANSFORM -0.4614 -0.8331 0.3050 -0.6033 0.5467 0.5806 0.6504 -0.0839 0.7549 80.362 10.450 -36.498 B 29 HIS A 25 HIS~? B 50 GLU A 17 GLU~? B 113 GLN A 24 GLN~? ULMNm 3 1vom_c00 MYOSIN user 1 3 RMSD = 1.46 A TRANSFORM 0.7629 0.0295 0.6459 0.5996 -0.4060 -0.6896 -0.2419 -0.9134 0.3274 22.258 20.909 -3.300 233 ASN A 12 ASN.? 457 GLY B 81 GLY.? 459 GLU A 77 GLU.? ULMNm 3 2c7v_c11 PTERIDINE REDUCTASE user 2 3 RMSD = 1.47 A TRANSFORM -0.1701 -0.6768 -0.7162 -0.6727 0.6109 -0.4175 -0.7201 -0.4108 0.5592 19.892 11.102 53.496 D 14 ARG B 96 ARG~? D 161 ASP B 125 ASP^? D 174 TYR B 22 TYR~? ULMNm 3 1hkd_p00 PEA LECTIN ALPHA CHAIN user 1 3 RMSD = 1.47 A TRANSFORM 0.6608 0.5752 -0.4822 -0.0657 -0.5956 -0.8006 0.7477 -0.5607 0.3558 -46.908 56.380 -48.004 A 81 ASP A 69 ASP^? A 99 GLY A 13 GLY.? A 125 ASN A 12 ASN.? ULMNm 3 2ag0_c11 BENZALDEHYDE LYASE user 2 3 RMSD = 1.47 A TRANSFORM -0.5668 -0.8011 0.1921 0.5931 -0.5587 -0.5797 -0.5718 0.2147 -0.7918 88.711 -15.255 68.054 D 29 HIS A 25 HIS~? D 50 GLU A 17 GLU~? D 113 GLN A 24 GLN~? ULMNm 3 1oqz_c01 GLUTARYL ACYLASE user 3 3 RMSD = 1.47 A TRANSFORM -0.9262 -0.3130 0.2104 -0.2238 0.0070 -0.9746 -0.3036 0.9497 0.0765 88.597 31.677 -7.331 B 170 SER A 85 SER^? B 239 VAL B 6 VAL^? B 413 ASN A 87 ASN^? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 2 3 RMSD = 1.47 A TRANSFORM 0.2993 0.8631 -0.4069 0.2729 -0.4860 -0.8303 0.9143 -0.1374 0.3809 -17.573 -1.219 89.155 C 70 ALA A 64 ALA^? C 126 LEU A 58 LEU^? C 158 GLU A 31 GLU^? ULMNm 3 2c7v_c08 PTERIDINE REDUCTASE user 2 3 RMSD = 1.48 A TRANSFORM 0.1659 0.6950 0.6996 -0.5993 0.6344 -0.4882 0.7832 0.3383 -0.5218 -35.930 8.103 -16.903 A 14 ARG B 96 ARG~? A 161 ASP B 125 ASP^? A 174 TYR B 22 TYR~? ULMNm 3 2c7v_c09 PTERIDINE REDUCTASE user 3 3 RMSD = 1.49 A TRANSFORM -0.5972 -0.7767 -0.2001 0.6659 -0.6192 0.4160 0.4470 -0.1152 -0.8871 35.947 -4.705 8.997 B 14 ARG B 96 ARG~? B 161 ASP B 125 ASP^? B 174 TYR B 22 TYR~? ULMNm 3 1pyl_c00 RIBONUCLEASE user 1 3 RMSD = 1.50 A TRANSFORM 0.3430 -0.9132 0.2200 -0.4577 -0.3670 -0.8098 -0.8203 -0.1770 0.5439 11.933 41.027 78.814 A 56 GLU A 103 GLU~? A 67 ARG A 126 ARG.? A 86 HIS A 25 HIS~? ULMNm 3 2c7v_c10 PTERIDINE REDUCTASE user 2 3 RMSD = 1.50 A TRANSFORM 0.6118 0.7633 0.2076 0.6099 -0.6224 0.4905 -0.5036 0.1735 0.8463 -51.801 -2.824 28.251 C 14 ARG B 96 ARG~? C 161 ASP B 125 ASP^? C 174 TYR B 22 TYR~? ULMNm 3 2ag0_c09 BENZALDEHYDE LYASE user 4 3 RMSD = 1.50 A TRANSFORM -0.4518 -0.7986 0.3975 0.7236 -0.0676 0.6869 0.5217 -0.5980 -0.6085 107.183 -57.920 19.183 A 29 HIS B 25 HIS~? A 50 GLU B 17 GLU~? A 113 GLN B 24 GLN~?