*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1bol_c00 RIBONUCLEASE RH user 3 3 RMSD = 0.86 A TRANSFORM 0.5495 0.7103 -0.4399 0.3997 0.2389 0.8850 0.7337 -0.6621 -0.1526 -16.078 9.192 10.857 A 46 HIS A 55 HIS~? A 105 GLU A 8 GLU~? A 109 HIS A 11 HIS~? ULMNm 3 1bol_c00 RIBONUCLEASE RH user 2 3 RMSD = 0.89 A TRANSFORM -0.7154 -0.3376 0.6118 -0.6939 0.4455 -0.5656 -0.0816 -0.8292 -0.5530 82.995 27.864 44.734 A 46 HIS A 11 HIS~? A 105 GLU A 59 GLU~? A 109 HIS A 55 HIS~? ULMNm 3 1bol_c00 RIBONUCLEASE RH user 1 3 RMSD = 1.04 A TRANSFORM 0.2399 -0.9469 -0.2138 -0.8830 -0.1213 -0.4534 0.4034 0.2976 -0.8653 85.514 65.374 -33.684 A 46 HIS A 11 HIS~? A 105 GLU A 8 GLU~? A 109 HIS A 55 HIS~? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 2 3 RMSD = 1.11 A TRANSFORM 0.2442 -0.7957 0.5542 0.7548 0.5148 0.4065 -0.6088 0.3191 0.7264 33.965 -22.735 38.465 A 194 SER A 110 SER~? A 292 ASP A 120 ASP~? A 322 HIS A 146 HIS.? ULMNm 3 1ula_c00 PURINE NUCLEOSIDE PHOSPHORYLASE (E.Cuser 1 3 RMSD = 1.12 A TRANSFORM -0.0519 0.9933 -0.1030 -0.6097 0.0502 0.7910 0.7909 0.1039 0.6030 -47.101 33.274 -15.306 86 HIS A 11 HIS~? 89 GLU A 59 GLU~? 243 ASN A 21 ASN~? ULMNm 3 3nwu_o01 SERINE PROTEASE HTRA1 user 2 3 RMSD = 1.16 A TRANSFORM 0.6366 -0.0713 0.7679 0.5709 -0.6258 -0.5314 0.5184 0.7767 -0.3577 -84.626 77.872 -62.145 B 220 HIS A 71 HIS.? B 250 ASP A 119 ASP.? B 328 SER A 73 SER~? ULMNm 3 3nwu_o00 SERINE PROTEASE HTRA1 user 2 3 RMSD = 1.16 A TRANSFORM 0.6324 -0.5792 -0.5144 -0.4041 -0.8132 0.4188 -0.6609 -0.0570 -0.7483 -22.472 84.595 20.439 A 220 HIS A 71 HIS.? A 250 ASP A 119 ASP.? A 328 SER A 73 SER~? ULMNm 3 3nwu_o02 SERINE PROTEASE HTRA1 user 2 3 RMSD = 1.17 A TRANSFORM -0.3931 -0.8520 0.3458 0.7142 -0.0460 0.6984 -0.5791 0.5215 0.6266 -7.743 10.028 -49.963 C 220 HIS A 71 HIS.? C 250 ASP A 119 ASP.? C 328 SER A 73 SER~? ULMNm 3 1ddj_c12 PLASMINOGEN user 1 3 RMSD = 1.18 A TRANSFORM -0.8387 0.1551 0.5220 0.1644 0.9860 -0.0289 -0.5191 0.0616 -0.8525 30.105 9.071 24.710 A 603 HIS A 23 HIS~? A 646 ASP A 76 ASP~? A 739 GLY A 69 GLY.? ULMNm 3 1ddj_c14 PLASMINOGEN user 1 3 RMSD = 1.23 A TRANSFORM -0.8593 0.0994 0.5016 0.1388 0.9895 0.0416 -0.4922 0.1054 -0.8641 31.090 7.767 85.210 C 603 HIS A 23 HIS~? C 646 ASP A 76 ASP~? C 739 GLY A 69 GLY.? ULMNm 3 1ddj_c13 PLASMINOGEN user 1 3 RMSD = 1.24 A TRANSFORM 0.6491 -0.6630 0.3731 0.0207 -0.4749 -0.8798 0.7605 0.5788 -0.2945 -25.254 73.100 -68.660 B 603 HIS A 23 HIS~? B 646 ASP A 76 ASP~? B 739 GLY A 69 GLY.? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 2 3 RMSD = 1.31 A TRANSFORM 0.7389 -0.5662 0.3654 0.4898 0.0789 -0.8683 0.4628 0.8205 0.3356 7.743 -34.076 92.745 C 70 ALA A 41 ALA~? C 126 LEU A 42 LEU~? C 158 GLU A 8 GLU~? ULMNm 3 2qv4_p00 PANCREATIC ALPHA-AMYLASE user 2 3 RMSD = 1.31 A TRANSFORM -0.1422 -0.5020 0.8531 -0.8412 -0.3930 -0.3715 0.5217 -0.7704 -0.3664 41.159 156.821 20.104 A 459 ASN A 31 ASN~? A 460 GLY A 29 GLY.? A 461 ASN A 30 ASN~? ULMNm 3 3hde_o00 LYSOZYME user 2 3 RMSD = 1.32 A TRANSFORM 0.3028 0.5005 -0.8111 -0.9502 0.0931 -0.2972 -0.0732 0.8607 0.5038 -43.308 5.467 -58.719 A 35 GLU A 5 GLU~? A 44 ASP A 47 ASP~? A 50 THR A 43 THR~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 2 3 RMSD = 1.33 A TRANSFORM -0.7468 0.2885 0.5992 0.4124 -0.5059 0.7576 0.5217 0.8129 0.2589 12.338 47.247 89.450 A 70 ALA A 41 ALA~? A 126 LEU A 42 LEU~? A 158 GLU A 8 GLU~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 2 3 RMSD = 1.33 A TRANSFORM 0.0643 0.3688 -0.9273 -0.8503 0.5066 0.1426 0.5224 0.7793 0.3462 -60.479 12.218 93.701 B 70 ALA A 41 ALA~? B 126 LEU A 42 LEU~? B 158 GLU A 8 GLU~? ULMNm 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 2 3 RMSD = 1.33 A TRANSFORM -0.0631 0.2358 0.9698 -0.8136 -0.5750 0.0869 0.5781 -0.7835 0.2281 7.650 118.108 14.215 B 194 SER A 110 SER~? B 292 ASP A 120 ASP~? B 322 HIS A 146 HIS.? ULMNm 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 5 3 RMSD = 1.34 A TRANSFORM 0.8087 -0.4481 0.3810 0.0433 -0.6006 -0.7984 0.5866 0.6622 -0.4663 38.610 62.825 -16.660 199 ASP A 120 ASP~? 218 GLU A 143 GLU~? 329 ASP A 116 ASP.? ULMNm 3 1hrk_c01 FERROCHELATASE user 2 3 RMSD = 1.35 A TRANSFORM -0.5978 -0.7074 -0.3770 -0.4745 -0.0668 0.8777 -0.6461 0.7036 -0.2957 68.156 6.722 -23.068 B 263 HIS A 11 HIS~? B 341 HIS A 55 HIS~? B 343 GLU A 59 GLU~? ULMNm 3 1hrk_c00 FERROCHELATASE user 2 3 RMSD = 1.35 A TRANSFORM 0.6057 0.7116 0.3561 0.4729 0.0380 -0.8803 -0.6400 0.7015 -0.3135 -67.136 -5.141 -23.068 A 263 HIS A 11 HIS~? A 341 HIS A 55 HIS~? A 343 GLU A 59 GLU~? ULMNm 3 1cns_c01 CHITINASE user 3 3 RMSD = 1.38 A TRANSFORM 0.4917 -0.4791 -0.7271 0.5680 -0.4564 0.6849 -0.6600 -0.7497 0.0477 28.154 -24.636 106.314 B 67 GLU A 22 GLU~? B 89 GLU A 17 GLU~? B 120 SER A 28 SER~? ULMNm 3 1ddj_c15 PLASMINOGEN user 1 3 RMSD = 1.40 A TRANSFORM 0.7907 -0.4776 0.3831 0.0287 -0.5962 -0.8024 0.6116 0.6454 -0.4577 -40.413 74.198 -0.259 D 603 HIS A 23 HIS~? D 646 ASP A 76 ASP~? D 739 GLY A 69 GLY.? ULMNm 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 1 3 RMSD = 1.42 A TRANSFORM -0.2682 0.9491 -0.1654 -0.1787 -0.2177 -0.9595 -0.9467 -0.2278 0.2279 -15.739 90.795 65.403 179 ASP A 116 ASP.? 227 GLU A 128 GLU~? 289 ASP A 119 ASP.? ULMNm 3 1bd3_c03 URACIL PHOSPHORIBOSYLTRANSFERASE user 1 3 RMSD = 1.43 A TRANSFORM -0.6108 0.6788 0.4076 0.3140 -0.2650 0.9117 0.7268 0.6849 -0.0513 3.032 64.731 43.248 B 137 ARG A 37 ARG~? B 141 THR A 35 THR~? B 235 ASP A 119 ASP.? ULMNm 3 2r11_o00 CARBOXYLESTERASE NP user 3 3 RMSD = 1.43 A TRANSFORM 0.4385 -0.3123 -0.8427 0.1511 -0.8987 0.4117 -0.8860 -0.3079 -0.3468 -24.495 60.602 131.607 A 130 SER A 80 SER~? A 166 PHE A 72 PHE.? A 182 PHE A 112 PHE~? ULMNm 3 2tmd_c00 TRIMETHYLAMINE DEHYDROGENASE user 1 3 RMSD = 1.45 A TRANSFORM 0.2161 -0.8401 0.4976 0.9611 0.2727 0.0430 -0.1718 0.4690 0.8664 53.299 -26.047 -25.089 A 169 TYR A 19 TYR~? A 172 HIS A 71 HIS.? A 267 ASP A 119 ASP.? ULMNm 3 2tmd_c01 TRIMETHYLAMINE DEHYDROGENASE user 1 3 RMSD = 1.45 A TRANSFORM -0.0119 0.9156 -0.4019 0.4638 0.3611 0.8090 0.8858 -0.1768 -0.4290 6.737 -39.521 15.342 B 169 TYR A 19 TYR~? B 172 HIS A 71 HIS.? B 267 ASP A 119 ASP.? ULMNm 3 2r11_o02 CARBOXYLESTERASE NP user 3 3 RMSD = 1.45 A TRANSFORM 0.2384 0.4360 0.8678 -0.1397 0.8997 -0.4136 -0.9611 -0.0227 0.2754 -50.755 40.539 74.674 C 130 SER A 80 SER~? C 166 PHE A 72 PHE.? C 182 PHE A 112 PHE~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 5 3 RMSD = 1.45 A TRANSFORM -0.9955 0.0943 -0.0083 -0.0471 -0.5692 -0.8208 -0.0821 -0.8168 0.5711 66.052 50.526 50.826 A 229 ALA A 62 ALA~? A 257 ALA A 58 ALA~? A 328 ASP A 47 ASP~? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 1 3 RMSD = 1.46 A TRANSFORM -0.0967 -0.7454 0.6596 0.8591 0.2721 0.4335 -0.5027 0.6086 0.6140 44.712 -21.349 28.493 A 194 SER A 110 SER~? A 292 ASP A 119 ASP.? A 322 HIS A 146 HIS.? ULMNm 3 3hde_o00 LYSOZYME user 5 3 RMSD = 1.46 A TRANSFORM 0.1072 0.7915 0.6017 -0.5753 0.5430 -0.6118 -0.8109 -0.2805 0.5136 -40.548 -15.490 0.528 A 35 GLU A 122 GLU~? A 44 ASP A 119 ASP.? A 50 THR A 118 THR.? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 1 3 RMSD = 1.46 A TRANSFORM -0.7891 -0.2332 0.5683 -0.4011 -0.5050 -0.7642 0.4653 -0.8310 0.3050 79.508 60.558 30.421 A 229 ALA A 41 ALA~? A 257 ALA A 62 ALA~? A 328 ASP A 47 ASP~? ULMNm 3 2p3i_p00 VP4 user 1 3 RMSD = 1.47 A TRANSFORM -0.4735 0.8606 0.1876 0.8204 0.3534 0.4494 0.3205 0.3667 -0.8734 23.529 -45.488 4.951 A 101 ARG A 74 ARG~? A 188 TYR A 75 TYR~? A 190 SER A 73 SER~? ULMNm 3 2qv4_p00 PANCREATIC ALPHA-AMYLASE user 1 3 RMSD = 1.47 A TRANSFORM 0.0085 0.9950 -0.1000 0.9516 -0.0387 -0.3049 -0.3073 -0.0926 -0.9471 -27.175 52.765 34.037 A 459 ASN A 30 ASN~? A 460 GLY A 29 GLY.? A 461 ASN A 31 ASN~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 6 3 RMSD = 1.47 A TRANSFORM -0.1247 0.9272 -0.3532 0.2453 0.3737 0.8945 0.9614 0.0249 -0.2741 -27.597 -11.492 111.966 A 70 ALA A 99 ALA~? A 126 LEU A 103 LEU~? A 158 GLU A 26 GLU~? ULMNm 3 1cns_c01 CHITINASE user 5 3 RMSD = 1.47 A TRANSFORM 0.3569 -0.8790 -0.3161 -0.8458 -0.4477 0.2902 -0.3966 0.1638 -0.9032 46.479 31.294 64.667 B 67 GLU A 22 GLU~? B 89 GLU A 26 GLU~? B 120 SER A 73 SER~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 6 3 RMSD = 1.48 A TRANSFORM -0.0616 -0.7810 -0.6215 -0.2227 0.6178 -0.7541 0.9729 0.0920 -0.2120 12.217 6.901 109.616 B 70 ALA A 99 ALA~? B 126 LEU A 103 LEU~? B 158 GLU A 26 GLU~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 RMSD = 1.49 A TRANSFORM -0.1892 0.4104 -0.8920 -0.1554 -0.9095 -0.3855 -0.9696 0.0657 0.2359 14.925 59.360 27.110 141 ASP A 76 ASP~? 166 GLY A 136 GLY~? 169 GLU A 143 GLU~? ULMNm 3 1bol_c00 RIBONUCLEASE RH user 4 3 RMSD = 1.49 A TRANSFORM 0.4534 -0.7536 -0.4759 0.8321 0.1665 0.5291 -0.3194 -0.6359 0.7026 68.130 -1.081 43.836 A 46 HIS A 55 HIS~? A 105 GLU A 59 GLU~? A 109 HIS A 11 HIS~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 6 3 RMSD = 1.49 A TRANSFORM 0.2914 -0.1367 0.9468 0.0738 -0.9836 -0.1648 0.9538 0.1179 -0.2765 -22.825 31.816 109.773 C 70 ALA A 99 ALA~? C 126 LEU A 103 LEU~? C 158 GLU A 26 GLU~? ULMNm 3 3hde_o01 LYSOZYME user 8 3 RMSD = 1.50 A TRANSFORM 0.4079 0.4856 -0.7732 0.8233 0.1705 0.5415 0.3948 -0.8574 -0.3302 -23.883 -49.889 -1.752 B 35 GLU A 122 GLU~? B 44 ASP A 119 ASP.? B 50 THR A 118 THR.?