*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1ro7_c03 ALPHA-2,3/8-SIALYLTRANSFERASE user 3 3 RMSD = 0.73 A TRANSFORM -0.2042 0.8425 -0.4985 -0.1965 -0.5342 -0.8222 0.9590 0.0700 -0.2746 -32.429 6.262 37.033 D 129 ARG B 37 ARG.? D 156 TYR B 24 TYR~? D 188 HIS B 31 HIS~? ULMNm 3 2z3x_d00 DNA BINDING PROTEIN/DNA user 2 3 RMSD = 0.87 A TRANSFORM -0.0981 0.8114 0.5763 -0.1939 -0.5835 0.7886 -0.9761 0.0344 -0.2145 -66.395 37.548 89.959 B 34 SER B 68 SER~? B 37 ASN B 67 ASN~? B 45 THR B 57 THR.? ULMNm 3 1kqc_c00 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 5 3 RMSD = 1.00 A TRANSFORM 0.2159 0.4981 -0.8398 0.4843 0.6922 0.5350 -0.8478 0.5222 0.0918 18.076 -26.411 52.423 A 14 LYS B 2 LYS.? A 74 LYS B 4 LYS.? A 165 GLU A 17 GLU~? ULMNm 3 1kqc_c02 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 4 3 RMSD = 1.03 A TRANSFORM 0.2177 0.5042 -0.8357 0.6267 0.5843 0.5157 -0.7483 0.6360 0.1888 10.652 6.827 13.511 C 14 LYS B 2 LYS.? C 74 LYS B 4 LYS.? C 165 GLU A 17 GLU~? ULMNm 3 1kqc_c03 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 4 3 RMSD = 1.05 A TRANSFORM -0.2016 -0.5039 0.8399 0.3446 0.7662 0.5424 0.9169 -0.3988 -0.0192 4.700 10.459 -7.552 D 14 LYS B 2 LYS.? D 74 LYS B 4 LYS.? D 165 GLU A 17 GLU~? ULMNm 3 1idt_c01 MINOR FMN-DEPENDENT NITROREDUCTASE user 4 3 RMSD = 1.06 A TRANSFORM 0.8750 -0.4837 -0.0176 0.1828 0.3640 -0.9133 -0.4482 -0.7959 -0.4070 -7.183 -20.475 73.878 B 14 LYS B 2 LYS.? B 74 LYS B 4 LYS.? B 165 GLU A 17 GLU~? ULMNm 3 1ylu_c01 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 4 3 RMSD = 1.06 A TRANSFORM -0.7013 -0.5878 0.4034 0.0101 -0.5739 -0.8189 -0.7128 0.5702 -0.4084 33.810 27.383 72.774 B 14 LYS B 2 LYS.? B 74 LYS B 4 LYS.? B 165 GLU A 17 GLU~? ULMNm 3 1ylu_c00 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 4 3 RMSD = 1.08 A TRANSFORM 0.1652 -0.1037 -0.9808 -0.8431 -0.5308 -0.0858 0.5117 -0.8411 0.1751 31.289 34.028 52.909 A 14 LYS B 2 LYS.? A 74 LYS B 4 LYS.? A 165 GLU A 17 GLU~? ULMNm 3 1idt_c00 MINOR FMN-DEPENDENT NITROREDUCTASE user 4 3 RMSD = 1.15 A TRANSFORM -0.7792 0.6221 0.0767 -0.3223 -0.5026 0.8022 -0.5376 -0.6003 -0.5921 15.075 -25.687 75.906 A 14 LYS B 2 LYS.? A 74 LYS B 4 LYS.? A 165 GLU A 17 GLU~? ULMNm 3 1kqc_c01 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 4 3 RMSD = 1.15 A TRANSFORM -0.1943 -0.5147 0.8351 0.5025 0.6789 0.5353 0.8425 -0.5236 -0.1267 12.034 -26.837 31.046 B 14 LYS B 2 LYS.? B 74 LYS B 4 LYS.? B 165 GLU A 17 GLU~? ULMNm 3 1ro7_c03 ALPHA-2,3/8-SIALYLTRANSFERASE user 1 3 RMSD = 1.19 A TRANSFORM 0.8129 0.0257 0.5818 -0.5824 0.0469 0.8116 0.0064 0.9986 -0.0531 -59.507 -45.791 14.895 D 129 ARG A 37 ARG.? D 156 TYR A 24 TYR~? D 188 HIS A 31 HIS~? ULMNm 3 2z3x_d00 DNA BINDING PROTEIN/DNA user 1 3 RMSD = 1.25 A TRANSFORM 0.7064 0.3017 -0.6403 -0.4633 -0.4868 -0.7405 0.5351 -0.8198 0.2040 -27.793 85.665 76.387 B 34 SER A 68 SER~? B 37 ASN A 67 ASN~? B 45 THR A 57 THR.? ULMNm 3 1d6o_c00 FK506-BINDING PROTEIN user 4 3 RMSD = 1.29 A TRANSFORM 0.8013 -0.3487 -0.4862 -0.5941 -0.3677 -0.7154 -0.0707 -0.8621 0.5018 82.200 33.425 -1.728 A 37 ASP B 42 ASP^? A 56 ILE B 50 ILE^? A 82 TYR B 24 TYR~? ULMNm 3 1qrz_c21 PLASMINOGEN user 2 3 RMSD = 1.30 A TRANSFORM 0.8901 -0.4053 0.2085 -0.4470 -0.6869 0.5731 0.0891 0.6033 0.7925 -45.749 4.718 -52.150 B 603 HIS B 31 HIS~? B 646 ASP B 42 ASP^? B 739 GLY B 64 GLY~? ULMNm 3 1d6o_c01 FK506-BINDING PROTEIN user 4 3 RMSD = 1.30 A TRANSFORM 0.8053 -0.3439 -0.4829 -0.5866 -0.3442 -0.7331 -0.0859 -0.8736 0.4789 84.833 17.091 -28.211 B 37 ASP B 42 ASP^? B 56 ILE B 50 ILE^? B 82 TYR B 24 TYR~? ULMNm 3 1idt_c01 MINOR FMN-DEPENDENT NITROREDUCTASE user 1 3 RMSD = 1.32 A TRANSFORM -0.9325 0.3583 0.0461 0.1729 0.3308 0.9277 -0.3172 -0.8730 0.3705 -4.353 -75.106 50.874 B 14 LYS A 2 LYS.? B 74 LYS A 4 LYS.? B 165 GLU B 17 GLU.? ULMNm 3 1qrz_c22 PLASMINOGEN user 2 3 RMSD = 1.32 A TRANSFORM 0.1809 -0.7204 -0.6695 0.4157 0.6730 -0.6118 -0.8913 0.1677 -0.4212 48.108 -9.075 21.135 C 603 HIS B 31 HIS~? C 646 ASP B 42 ASP^? C 739 GLY B 64 GLY~? ULMNm 3 1qrz_c20 PLASMINOGEN user 2 3 RMSD = 1.34 A TRANSFORM 0.9128 -0.3623 0.1883 -0.3962 -0.6743 0.6232 0.0988 0.6435 0.7590 -18.795 2.397 -13.958 A 603 HIS B 31 HIS~? A 646 ASP B 42 ASP^? A 739 GLY B 64 GLY~? ULMNm 3 1a50_c03 TRYPTOPHAN SYNTHASE user 2 3 RMSD = 1.34 A TRANSFORM -0.4699 0.3654 0.8035 0.0660 -0.8932 0.4448 -0.8802 -0.2620 -0.3956 36.068 27.835 42.724 A 49 GLU A 46 GLU.? A 60 ASP A 53 ASP^? A 175 TYR A 24 TYR~? ULMNm 3 1qrz_c23 PLASMINOGEN user 2 3 RMSD = 1.34 A TRANSFORM 0.2123 -0.6885 -0.6935 0.4324 0.7026 -0.5652 -0.8763 0.1799 -0.4468 -6.219 -11.441 59.843 D 603 HIS B 31 HIS~? D 646 ASP B 42 ASP^? D 739 GLY B 64 GLY~? ULMNm 3 1kqc_c00 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 1 3 RMSD = 1.35 A TRANSFORM 0.2496 0.4524 0.8562 0.2153 0.8361 -0.5045 0.9441 -0.3103 -0.1113 -32.470 4.901 53.623 A 14 LYS A 2 LYS.? A 74 LYS A 4 LYS.? A 165 GLU B 17 GLU.? ULMNm 3 1ig8_c00 HEXOKINASE PII user 3 3 RMSD = 1.36 A TRANSFORM -0.7746 0.5901 -0.2274 -0.5985 -0.8002 -0.0381 0.2044 -0.1066 -0.9731 33.013 100.519 50.645 A 158 SER B 16 SER.? A 173 ARG A 5 ARG.? A 211 ASP B 18 ASP.? ULMNm 3 1kqc_c02 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 1 3 RMSD = 1.37 A TRANSFORM 0.2524 0.4591 0.8518 0.0409 0.8744 -0.4834 0.9667 -0.1569 -0.2020 -39.654 37.837 20.418 C 14 LYS A 2 LYS.? C 74 LYS A 4 LYS.? C 165 GLU B 17 GLU.? ULMNm 3 1kqc_c03 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 1 3 RMSD = 1.40 A TRANSFORM -0.2655 -0.4436 -0.8560 0.3610 0.7775 -0.5149 -0.8940 0.4457 0.0463 55.320 41.523 -4.728 D 14 LYS A 2 LYS.? D 74 LYS A 4 LYS.? D 165 GLU B 17 GLU.? ULMNm 3 1ylu_c00 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 1 3 RMSD = 1.41 A TRANSFORM -0.1768 0.0215 0.9840 0.1351 -0.9898 0.0459 -0.9749 -0.1410 -0.1721 -26.077 27.757 67.312 A 14 LYS A 2 LYS.? A 74 LYS A 4 LYS.? A 165 GLU B 17 GLU.? ULMNm 3 1ylu_c01 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 1 3 RMSD = 1.41 A TRANSFORM -0.0029 -0.8989 -0.4382 -0.4397 -0.3924 0.8079 0.8981 -0.1950 0.3941 57.130 -19.525 44.590 B 14 LYS A 2 LYS.? B 74 LYS A 4 LYS.? B 165 GLU B 17 GLU.? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 1 3 RMSD = 1.42 A TRANSFORM -0.9874 -0.1553 0.0291 0.1176 -0.5997 0.7916 0.1055 -0.7850 -0.6104 24.253 -11.132 167.237 C 70 ALA A 20 ALA~? C 126 LEU A 45 LEU^? C 158 GLU A 25 GLU~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 1 3 RMSD = 1.45 A TRANSFORM 0.5968 -0.4565 0.6600 0.8016 0.3767 -0.4643 0.0367 -0.8061 -0.5907 -47.328 -8.261 169.555 B 70 ALA A 20 ALA~? B 126 LEU A 45 LEU^? B 158 GLU A 25 GLU~? ULMNm 3 1bd3_c02 URACIL PHOSPHORIBOSYLTRANSFERASE user 2 3 RMSD = 1.45 A TRANSFORM 0.4440 -0.7125 -0.5433 -0.5340 -0.6973 0.4781 0.7195 -0.0778 0.6901 28.395 81.671 2.370 C 137 ARG A 63 ARG~? C 141 THR B 65 THR~? C 235 ASP B 78 ASP~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 2 3 RMSD = 1.45 A TRANSFORM -0.4372 -0.5809 -0.6866 -0.8862 0.1482 0.4390 0.1533 -0.8004 0.5795 98.745 5.633 10.142 A 67 ASP A 58 ASP~? A 68 ALA A 61 ALA~? A 72 LEU A 62 LEU~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 2 3 RMSD = 1.45 A TRANSFORM 0.3996 0.5231 -0.7528 -0.9116 0.1400 -0.3865 0.0968 -0.8407 -0.5328 -8.845 52.422 166.093 A 70 ALA A 20 ALA~? A 126 LEU A 45 LEU^? A 158 GLU A 25 GLU~? ULMNm 3 1a50_c03 TRYPTOPHAN SYNTHASE user 3 3 RMSD = 1.46 A TRANSFORM 0.5419 -0.2035 -0.8154 -0.7937 -0.4430 -0.4169 0.2764 -0.8731 0.4015 84.275 54.435 18.636 A 49 GLU B 46 GLU^? A 60 ASP B 53 ASP^? A 175 TYR B 24 TYR~? ULMNm 3 1idt_c00 MINOR FMN-DEPENDENT NITROREDUCTASE user 1 3 RMSD = 1.46 A TRANSFORM 0.9758 -0.1953 -0.0983 -0.1898 -0.5341 -0.8238 -0.1084 -0.8226 0.5583 15.661 22.365 40.949 A 14 LYS A 2 LYS.? A 74 LYS A 4 LYS.? A 165 GLU B 17 GLU.? ULMNm 3 1kqc_c01 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 1 3 RMSD = 1.46 A TRANSFORM -0.2798 -0.4427 -0.8519 0.1921 0.8436 -0.5015 -0.9407 0.3039 0.1510 62.435 4.422 27.502 B 14 LYS A 2 LYS.? B 74 LYS A 4 LYS.? B 165 GLU B 17 GLU.? ULMNm 3 1d6o_c00 FK506-BINDING PROTEIN user 2 3 RMSD = 1.47 A TRANSFORM -0.5883 0.5651 0.5784 -0.0299 -0.7300 0.6828 -0.8081 -0.3845 -0.4463 48.632 -8.096 27.571 A 37 ASP A 42 ASP.? A 56 ILE A 50 ILE^? A 82 TYR A 24 TYR~? ULMNm 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 2 3 RMSD = 1.48 A TRANSFORM -0.7431 -0.3877 -0.5454 0.6312 -0.6768 -0.3789 0.2222 0.6258 -0.7476 81.046 15.699 51.143 A 198 GLY B 64 GLY~? A 228 SER B 60 SER~? A 549 ASP B 58 ASP~? ULMNm 3 1bd3_c02 URACIL PHOSPHORIBOSYLTRANSFERASE user 3 3 RMSD = 1.48 A TRANSFORM -0.8793 -0.0830 0.4689 -0.1984 -0.8314 -0.5191 -0.4329 0.5495 -0.7146 1.832 109.658 45.810 C 137 ARG B 63 ARG~? C 141 THR A 65 THR~? C 235 ASP A 78 ASP~? ULMNm 3 1d6o_c01 FK506-BINDING PROTEIN user 2 3 RMSD = 1.49 A TRANSFORM -0.5843 0.5721 0.5757 -0.0094 -0.7140 0.7000 -0.8115 -0.4036 -0.4226 51.396 -25.521 -0.275 B 37 ASP A 42 ASP.? B 56 ILE A 50 ILE^? B 82 TYR A 24 TYR~? ULMNm 3 1bd3_c00 URACIL PHOSPHORIBOSYLTRANSFERASE user 4 3 RMSD = 1.49 A TRANSFORM -0.1111 -0.8480 -0.5182 0.7038 -0.4354 0.5614 0.7017 0.3023 -0.6452 48.994 83.066 31.126 A 137 ARG B 63 ARG~? A 141 THR B 65 THR~? A 235 ASP A 78 ASP~? ULMNm 3 1qrz_c20 PLASMINOGEN user 3 3 RMSD = 1.49 A TRANSFORM 0.9549 -0.1574 0.2516 -0.2812 -0.7509 0.5975 -0.0949 0.6414 0.7613 -28.189 4.999 -11.917 A 603 HIS B 31 HIS~? A 646 ASP B 53 ASP^? A 739 GLY B 64 GLY~?