*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1bs4_c01 PEPTIDE DEFORMYLASE user 1 3 RMSD = 1.11 A TRANSFORM 0.3765 0.9264 -0.0057 -0.9254 0.3758 -0.0481 -0.0424 0.0234 0.9988 83.791 61.420 8.474 B 550 GLN A 19 GLN.? B 591 LEU A 24 LEU~? B 633 GLU A 60 GLU~? ULMNm 3 1bs4_c02 PEPTIDE DEFORMYLASE user 1 3 RMSD = 1.13 A TRANSFORM 0.4372 -0.8967 0.0697 -0.8847 -0.4427 -0.1460 0.1618 0.0021 -0.9868 56.925 54.690 89.348 C1050 GLN A 19 GLN.? C1091 LEU A 24 LEU~? C1133 GLU A 60 GLU~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 6 3 RMSD = 1.14 A TRANSFORM -0.2979 0.6917 -0.6578 0.2855 -0.5930 -0.7529 -0.9109 -0.4121 -0.0208 19.409 54.659 21.584 141 ASP A 128 ASP~? 166 GLY A 50 GLY.? 169 GLU A 84 GLU.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 RMSD = 1.14 A TRANSFORM -0.5030 -0.8035 -0.3184 -0.8616 0.4371 0.2580 -0.0682 0.4041 -0.9122 24.447 5.288 45.515 141 ASP A 21 ASP~? 166 GLY A 50 GLY.? 169 GLU A 105 GLU^? ULMNm 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 7 3 RMSD = 1.14 A TRANSFORM 0.7779 0.2096 -0.5924 -0.3106 -0.6913 -0.6524 -0.5462 0.6915 -0.4727 22.545 94.174 42.914 179 ASP A 138 ASP.? 227 GLU A 153 GLU~? 289 ASP A 170 ASP~? ULMNm 3 1bs4_c00 PEPTIDE DEFORMYLASE user 1 3 RMSD = 1.16 A TRANSFORM 0.9533 -0.2457 0.1755 -0.2209 -0.9638 -0.1494 0.2058 0.1036 -0.9731 19.966 53.202 111.780 A 50 GLN A 19 GLN.? A 91 LEU A 24 LEU~? A 133 GLU A 60 GLU~? ULMNm 3 1bsj_c00 PEPTIDE DEFORMYLASE user 1 3 RMSD = 1.18 A TRANSFORM 0.4063 0.8863 0.2220 0.7256 -0.1654 -0.6680 -0.5554 0.4325 -0.7103 22.215 75.051 111.617 A 50 GLN A 19 GLN.? A 91 LEU A 24 LEU~? A 133 GLU A 60 GLU~? ULMNm 3 1ohh_c06 ATP SYNTHASE ALPHA CHAIN HEART ISOFOuser 5 3 RMSD = 1.21 A TRANSFORM 0.2410 0.6061 0.7580 -0.5306 0.7362 -0.4200 -0.8126 -0.3010 0.4991 53.962 9.425 -32.530 A 175 LYS A 154 LYS~? A 208 GLN A 124 GLN~? A 209 LYS A 122 LYS~? ULMNm 3 1ohh_c07 ATP SYNTHASE ALPHA CHAIN HEART ISOFOuser 8 3 RMSD = 1.22 A TRANSFORM 0.4693 0.6097 0.6388 0.8625 -0.1611 -0.4798 -0.1896 0.7761 -0.6015 65.281 70.750 21.391 B 175 LYS A 154 LYS~? B 208 GLN A 124 GLN~? B 209 LYS A 122 LYS~? ULMNm 3 2bhg_c02 FOOT-AND-MOUTH DISEASE VIRUS 3C PROTuser 1 3 RMSD = 1.25 A TRANSFORM 0.0891 0.9860 0.1408 -0.3826 -0.0967 0.9189 0.9196 -0.1357 0.3686 -5.819 -43.864 -30.271 B 46 HIS A 110 HIS.? B 163 ALA A 106 ALA^? B 182 SER A 107 SER^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 2 3 RMSD = 1.25 A TRANSFORM 0.8784 -0.2479 -0.4086 0.4501 0.7164 0.5330 0.1607 -0.6521 0.7409 3.812 -26.073 -10.879 141 ASP A 40 ASP.? 166 GLY A 132 GLY^? 169 GLU A 153 GLU~? ULMNm 3 1emh_d00 HYDROLASE/DNA user 1 3 RMSD = 1.27 A TRANSFORM -0.8307 -0.4998 -0.2451 -0.4310 0.8562 -0.2849 0.3523 -0.1310 -0.9267 40.073 -4.502 73.651 A 271 PRO A 116 PRO~? A 272 LEU A 117 LEU~? A 276 ARG A 111 ARG.? ULMNm 3 3qrf_d00 DNA BINDING PROTEIN/DNA user 1 3 RMSD = 1.31 A TRANSFORM -0.0475 0.8964 -0.4407 0.2094 0.4404 0.8731 0.9767 -0.0508 -0.2087 99.826 -15.099 37.194 G 386 ARG A 111 ARG.? G 387 HIS A 110 HIS.? G 390 SER A 107 SER^? ULMNm 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 4 3 RMSD = 1.31 A TRANSFORM 0.1410 -0.2367 -0.9613 0.6256 0.7739 -0.0988 0.7673 -0.5874 0.2572 92.633 9.554 -5.794 199 ASP A 103 ASP.? 218 GLU A 177 GLU~? 329 ASP A 71 ASP.? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 2 3 RMSD = 1.33 A TRANSFORM -0.3972 0.4241 -0.8138 0.8095 0.5798 -0.0929 0.4324 -0.6957 -0.5736 85.328 -9.311 35.137 A 67 ASP A 64 ASP~? A 68 ALA A 61 ALA~? A 72 LEU A 35 LEU~? ULMNm 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 9 3 RMSD = 1.33 A TRANSFORM -0.9001 -0.2235 0.3741 0.0081 0.8497 0.5272 -0.4356 0.4775 -0.7630 43.680 12.814 38.696 199 ASP A 170 ASP~? 242 GLU A 68 GLU.? 329 ASP A 138 ASP.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 5 3 RMSD = 1.37 A TRANSFORM -0.3485 0.9346 -0.0715 -0.3984 -0.0786 0.9139 0.8485 0.3470 0.3997 -12.512 -27.799 -32.535 141 ASP A 128 ASP~? 166 GLY A 50 GLY.? 169 GLU A 60 GLU~? ULMNm 3 1pyi_d00 PROTEIN (PYRIMIDINE PATHWAY REGULATOuser 1 3 RMSD = 1.42 A TRANSFORM -0.6222 0.6216 -0.4758 0.7014 0.1728 -0.6915 -0.3476 -0.7640 -0.5436 62.338 79.433 152.722 A 40 LYS A 28 LYS~? A 41 LYS A 29 LYS~? A 42 ILE A 31 ILE~? ULMNm 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 7 3 RMSD = 1.43 A TRANSFORM -0.6119 0.6039 -0.5108 -0.3400 0.3823 0.8592 0.7141 0.6994 -0.0286 61.296 -0.927 -10.216 199 ASP A 131 ASP.? 242 GLU A 60 GLU~? 329 ASP A 159 ASP~? ULMNm 3 2dbt_c00 CHITINASE C user 1 3 RMSD = 1.46 A TRANSFORM -0.4331 -0.6364 -0.6383 0.8871 -0.4263 -0.1769 -0.1595 -0.6429 0.7492 108.978 25.975 -23.100 A 147 GLU A 13 GLU~? A 156 GLU A 55 GLU~? A 194 ASN A 91 ASN~? ULMNm 3 2dbt_c02 CHITINASE C user 1 3 RMSD = 1.46 A TRANSFORM 0.3616 0.3190 0.8761 -0.9295 0.1960 0.3123 -0.0721 -0.9273 0.3674 -2.867 14.207 1.424 C 147 GLU A 13 GLU~? C 156 GLU A 55 GLU~? C 194 ASN A 91 ASN~? ULMNm 3 1daa_c00 D-AMINO ACID AMINOTRANSFERASE user 3 3 RMSD = 1.46 A TRANSFORM 0.1864 0.5211 0.8329 0.2181 0.8047 -0.5522 -0.9580 0.2845 0.0363 11.870 3.110 64.224 A 145 LYS A 32 LYS~? A 177 GLU A 68 GLU.? A 201 LEU A 65 LEU.? ULMNm 3 3hde_o02 LYSOZYME user 1 3 RMSD = 1.46 A TRANSFORM 0.9711 -0.1901 0.1439 0.1964 0.2955 -0.9349 0.1352 0.9362 0.3243 20.696 34.422 -16.596 C 35 GLU A 140 GLU.? C 44 ASP A 169 ASP~? C 50 THR A 167 THR~? ULMNm 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 4 3 RMSD = 1.48 A TRANSFORM -0.2815 0.4864 -0.8271 -0.4354 -0.8329 -0.3416 -0.8551 0.2639 0.4463 73.093 77.000 -4.746 199 ASP A 128 ASP~? 242 GLU A 105 GLU^? 329 ASP A 159 ASP~? ULMNm 3 2gsa_c04 GLUTAMATE SEMIALDEHYDE AMINOTRANSFERuser 2 3 RMSD = 1.48 A TRANSFORM 0.0710 0.4719 0.8788 0.8602 0.4170 -0.2935 -0.5050 0.7768 -0.3763 -36.261 20.970 -10.072 A 157 PHE A 17 PHE.? A 245 ASP A 21 ASP~? A 273 LYS A 28 LYS~? ULMNm 3 1vzz_c00 STEROID DELTA-ISOMERASE user 7 3 RMSD = 1.50 A TRANSFORM 0.6138 -0.5442 -0.5719 0.5654 0.8086 -0.1626 0.5509 -0.2236 0.8041 33.559 3.667 -16.007 A 16 TYR A 164 TYR^? A 40 ASP A 131 ASP.? A 103 LEU A 4 LEU^? ULMNm 3 3hde_o01 LYSOZYME user 1 3 RMSD = 1.50 A TRANSFORM 0.2052 -0.2866 -0.9358 -0.3043 0.8901 -0.3393 0.9302 0.3544 0.0954 28.406 -6.625 -27.358 B 35 GLU A 140 GLU.? B 44 ASP A 169 ASP~? B 50 THR A 167 THR~?