*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1f6d_c02 UDP-N-ACETYLGLUCOSAMINE 2-EPIMERASE user 3 3 RMSD = 1.29 A TRANSFORM 0.8925 -0.2269 -0.3897 -0.4502 -0.4995 -0.7402 0.0267 -0.8361 0.5479 63.010 81.762 75.791 C 95 ASP B 104 ASP.? C 117 GLU B 108 GLU.? C 131 GLU B 105 GLU.? ULMNm 3 1bhg_c02 BETA-GLUCURONIDASE user 1 3 RMSD = 1.32 A TRANSFORM 0.2560 0.2186 0.9416 0.1709 -0.9690 0.1785 -0.9514 -0.1152 0.2855 78.783 88.192 130.083 A 451 GLU A 19 GLU~? A 504 TYR A 16 TYR^? A 540 GLU A 18 GLU~? ULMNm 3 1bhg_c04 BETA-GLUCURONIDASE user 1 3 RMSD = 1.32 A TRANSFORM 0.8608 0.4966 0.1117 -0.4286 0.8255 -0.3673 0.2746 -0.2683 -0.9234 43.149 89.454 70.327 A 382 ARG A 15 ARG^? A 451 GLU A 18 GLU~? A 540 GLU A 19 GLU~? ULMNm 3 1bhg_c02 BETA-GLUCURONIDASE user 2 3 RMSD = 1.34 A TRANSFORM 0.9642 -0.2081 0.1643 0.1844 0.9716 0.1483 0.1905 0.1127 -0.9752 79.988 84.916 131.497 A 451 GLU B 19 GLU~? A 504 TYR B 16 TYR^? A 540 GLU B 18 GLU~? ULMNm 3 3s57_d00 OXIDOREDUCTASE/DNA user 1 3 RMSD = 1.35 A TRANSFORM 0.9484 0.0100 0.3169 0.1066 -0.9515 -0.2888 -0.2986 -0.3076 0.9034 -17.783 0.416 8.903 A 101 VAL A 112 VAL^? A 102 PHE A 110 PHE^? A 169 CYH B 7 CYH.? ULMNm 3 1oqz_c01 GLUTARYL ACYLASE user 2 3 RMSD = 1.35 A TRANSFORM -0.4262 0.5843 -0.6906 0.7195 -0.2438 -0.6503 0.5484 0.7741 0.3164 42.440 6.511 -20.713 B 170 SER B 40 SER.? B 239 VAL B 44 VAL^? B 413 ASN B 38 ASN^? ULMNm 3 1oqz_c01 GLUTARYL ACYLASE user 1 3 RMSD = 1.36 A TRANSFORM -0.7114 -0.6206 -0.3298 -0.5573 0.2121 0.8028 0.4282 -0.7549 0.4967 42.851 3.234 -19.124 B 170 SER A 40 SER.? B 239 VAL A 44 VAL^? B 413 ASN A 38 ASN^? ULMNm 3 1oqz_c00 GLUTARYL ACYLASE user 2 3 RMSD = 1.36 A TRANSFORM 0.4359 -0.5688 0.6975 0.7307 -0.2288 -0.6432 -0.5254 -0.7900 -0.3159 62.511 40.352 75.510 A 170 SER B 40 SER.? A 239 VAL B 44 VAL^? A 413 ASN B 38 ASN^? ULMNm 3 1oqz_c00 GLUTARYL ACYLASE user 1 3 RMSD = 1.37 A TRANSFORM 0.7205 0.6053 0.3384 -0.5479 0.1976 0.8129 -0.4251 0.7711 -0.4740 62.130 37.108 73.843 A 170 SER A 40 SER.? A 239 VAL A 44 VAL^? A 413 ASN A 38 ASN^? ULMNm 3 1i29_c03 CSDB user 2 3 RMSD = 1.37 A TRANSFORM -0.4059 0.9106 -0.0784 0.4653 0.2797 0.8398 -0.7866 -0.3044 0.5372 37.275 19.491 6.046 A 128 VAL A 44 VAL^? A 200 ASP A 2 ASP.? A 226 LYS B 37 LYS^? ULMNm 3 1f6d_c02 UDP-N-ACETYLGLUCOSAMINE 2-EPIMERASE user 2 3 RMSD = 1.39 A TRANSFORM -0.7346 0.6458 0.2080 0.1938 -0.0941 0.9765 -0.6502 -0.7577 0.0560 66.780 41.385 92.102 C 95 ASP B 104 ASP.? C 117 GLU B 105 GLU.? C 131 GLU B 108 GLU.? ULMNm 3 3s57_d00 OXIDOREDUCTASE/DNA user 2 3 RMSD = 1.41 A TRANSFORM 0.4773 0.0064 0.8787 -0.2604 0.9561 0.1344 0.8393 0.2929 -0.4580 -19.047 -3.526 11.035 A 101 VAL B 112 VAL^? A 102 PHE B 110 PHE^? A 169 CYH A 7 CYH.? ULMNm 3 1f6d_c02 UDP-N-ACETYLGLUCOSAMINE 2-EPIMERASE user 1 3 RMSD = 1.44 A TRANSFORM 0.1191 -0.6208 -0.7749 0.9922 0.1029 0.0700 -0.0363 0.7772 -0.6282 70.884 42.550 90.904 C 95 ASP A 104 ASP.? C 117 GLU A 105 GLU.? C 131 GLU A 108 GLU.? ULMNm 3 1i1e_c00 BOTULINUM NEUROTOXIN TYPE B user 2 3 RMSD = 1.45 A TRANSFORM -0.4342 0.4438 0.7839 -0.0809 0.8475 -0.5246 0.8972 0.2912 0.3321 43.785 -13.336 3.999 A 267 GLU A 24 GLU~? A 369 ARG A 27 ARG.? A 372 TYR A 25 TYR~? ULMNm 3 1pnl_c00 PENICILLIN AMIDOHYDROLASE user 2 3 RMSD = 1.48 A TRANSFORM -0.6727 0.1522 0.7241 0.2158 0.9764 -0.0048 0.7078 -0.1530 0.6897 13.416 40.990 4.149 B 1 SER A 40 SER.? B 69 ALA A 77 ALA.? B 241 ASN A 78 ASN.? ULMNm 3 1pnl_c00 PENICILLIN AMIDOHYDROLASE user 1 3 RMSD = 1.48 A TRANSFORM -0.2272 0.9324 0.2813 -0.3224 0.2005 -0.9251 0.9189 0.3008 -0.2550 17.300 66.026 21.975 B 1 SER A 40 SER.? B 69 ALA A 77 ALA.? B 241 ASN A 38 ASN^? ULMNm 3 1i1e_c00 BOTULINUM NEUROTOXIN TYPE B user 4 3 RMSD = 1.48 A TRANSFORM 0.7159 -0.4773 -0.5096 -0.5264 -0.8485 0.0551 0.4587 -0.2288 0.8586 46.050 -13.835 4.486 A 267 GLU B 24 GLU~? A 369 ARG B 27 ARG.? A 372 TYR B 25 TYR~? ULMNm 3 1pnl_c00 PENICILLIN AMIDOHYDROLASE user 5 3 RMSD = 1.48 A TRANSFORM 0.2356 -0.9354 -0.2637 -0.9587 -0.1793 -0.2207 -0.1591 -0.3048 0.9390 21.531 65.791 21.555 B 1 SER B 40 SER.? B 69 ALA B 77 ALA.? B 241 ASN B 38 ASN^?