*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1i29_c01 CSDB user 7 3 RMSD = 1.00 A TRANSFORM -0.2134 0.9241 -0.3169 0.4792 -0.1837 -0.8583 0.8514 0.3350 0.4036 25.308 130.734 -26.559 A 123 HIS B 45 HIS.? A 200 ASP A 86 ASP~? A 226 LYS B 3 LYS~? ULMNm 3 1a8h_c02 METHIONYL-TRNA SYNTHETASE user 2 3 RMSD = 1.00 A TRANSFORM 0.6890 0.3803 -0.6170 0.6849 -0.6203 0.3824 0.2372 0.6860 0.6878 89.232 28.039 -21.182 16 ALA B 54 ALA~? 19 HIS B 51 HIS~? 22 HIS B 10 HIS~? ULMNm 3 1a8h_c02 METHIONYL-TRNA SYNTHETASE user 1 3 RMSD = 1.01 A TRANSFORM -0.6809 0.3690 0.6327 -0.6868 -0.6218 -0.3765 -0.2544 0.6909 -0.6767 18.763 81.834 65.943 16 ALA A 54 ALA~? 19 HIS A 51 HIS~? 22 HIS A 10 HIS~? ULMNm 3 1ig8_c00 HEXOKINASE PII user 1 3 RMSD = 1.07 A TRANSFORM 0.4108 0.8918 -0.1897 0.8255 -0.2754 0.4927 -0.3871 0.3590 0.8493 13.464 38.924 -72.969 A 158 SER A 72 SER~? A 173 ARG A 80 ARG~? A 211 ASP A 69 ASP~? ULMNm 3 2odj_o00 PORIN D user 1 3 RMSD = 1.09 A TRANSFORM 0.3398 0.7400 -0.5805 0.3263 0.4861 0.8107 -0.8821 0.4649 0.0763 10.464 -32.532 31.915 A 156 HIS A 45 HIS.? A 208 ASP A 4 ASP~? A 296 SER B 73 SER~? ULMNm 3 1cb7_c07 GLUTAMATE MUTASE user 1 3 RMSD = 1.12 A TRANSFORM 0.3951 0.0555 -0.9169 0.7126 0.6114 0.3441 -0.5797 0.7894 -0.2020 71.975 -11.122 99.657 C 14 ASP A 24 ASP.? C 16 HIS A 25 HIS.? C 67 GLY A 22 GLY~? ULMNm 3 1cb7_c07 GLUTAMATE MUTASE user 2 3 RMSD = 1.13 A TRANSFORM -0.3907 0.0533 0.9190 -0.6840 0.6513 -0.3286 0.6160 0.7570 0.2180 -37.806 37.186 69.230 C 14 ASP B 24 ASP.? C 16 HIS B 25 HIS.? C 67 GLY B 22 GLY~? ULMNm 3 1elq_c03 L-CYSTEINE/L-CYSTINE C-S LYASE user 6 3 RMSD = 1.14 A TRANSFORM 0.3216 -0.8258 -0.4632 0.9371 0.2075 0.2807 0.1357 0.5243 -0.8406 31.364 -9.466 34.877 B 114 HIS B 45 HIS.? B 197 ASP A 86 ASP~? B 223 LYS B 3 LYS~? ULMNm 3 1ecx_c03 AMINOTRANSFERASE user 5 3 RMSD = 1.15 A TRANSFORM -0.1646 -0.6052 0.7789 -0.3282 0.7783 0.5353 0.9302 0.1675 0.3267 -39.312 19.204 1.942 B 99 HIS B 45 HIS.? B 177 ASP A 86 ASP~? B 203 LYS B 3 LYS~? ULMNm 3 1a50_c03 TRYPTOPHAN SYNTHASE user 1 3 RMSD = 1.15 A TRANSFORM 0.4559 -0.2761 0.8461 0.8888 0.1914 -0.4165 0.0470 -0.9419 -0.3326 -2.248 28.309 54.250 A 49 GLU A 40 GLU.? A 60 ASP A 18 ASP~? A 175 TYR A 34 TYR~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 16 3 RMSD = 1.15 A TRANSFORM 0.9470 0.3165 -0.0544 0.2071 -0.7313 -0.6498 0.2455 -0.6041 0.7581 35.449 83.597 -22.017 A 229 ALA B 61 ALA~? A 257 ALA B 64 ALA~? A 328 ASP B 27 ASP.? ULMNm 3 1cb7_c06 GLUTAMATE MUTASE user 1 3 RMSD = 1.16 A TRANSFORM 0.2683 0.2177 -0.9384 -0.7143 -0.6087 -0.3454 0.6464 -0.7630 0.0078 73.879 42.412 79.175 A 14 ASP A 24 ASP.? A 16 HIS A 25 HIS.? A 67 GLY A 22 GLY~? ULMNm 3 1a50_c03 TRYPTOPHAN SYNTHASE user 2 3 RMSD = 1.17 A TRANSFORM -0.4499 -0.2776 -0.8489 -0.8907 0.2084 0.4039 -0.0648 -0.9378 0.3410 107.321 -14.255 12.634 A 49 GLU B 40 GLU.? A 60 ASP B 18 ASP~? A 175 TYR B 34 TYR~? ULMNm 3 1cb7_c06 GLUTAMATE MUTASE user 2 3 RMSD = 1.17 A TRANSFORM -0.2563 0.2087 0.9438 0.6857 -0.6489 0.3297 -0.6813 -0.7317 -0.0232 -39.746 -6.059 86.197 A 14 ASP B 24 ASP.? A 16 HIS B 25 HIS.? A 67 GLY B 22 GLY~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 5 3 RMSD = 1.18 A TRANSFORM -0.9489 0.3051 0.0807 -0.1815 -0.7367 0.6514 -0.2582 -0.6034 -0.7544 36.480 4.686 74.356 A 229 ALA A 61 ALA~? A 257 ALA A 64 ALA~? A 328 ASP A 27 ASP.? ULMNm 3 1geq_c03 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 3 3 RMSD = 1.19 A TRANSFORM -0.8899 0.3390 0.3053 -0.2314 0.2412 -0.9425 0.3931 0.9094 0.1361 23.427 92.567 30.885 B 36 GLU B 35 GLU~? B 47 ASP B 18 ASP~? B 161 TYR B 34 TYR~? ULMNm 3 1geq_c02 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 3 3 RMSD = 1.20 A TRANSFORM 0.1762 -0.1708 0.9694 0.8888 -0.3958 -0.2313 -0.4232 -0.9023 -0.0820 -23.207 44.835 92.249 A 36 GLU B 35 GLU~? A 47 ASP B 18 ASP~? A 161 TYR B 34 TYR~? ULMNm 3 1geq_c03 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 1 3 RMSD = 1.20 A TRANSFORM 0.8924 0.3267 -0.3111 0.2410 0.2375 0.9410 -0.3814 0.9148 -0.1332 53.128 -26.583 50.986 B 36 GLU A 35 GLU~? B 47 ASP A 18 ASP~? B 161 TYR A 34 TYR~? ULMNm 3 1geq_c02 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 1 3 RMSD = 1.20 A TRANSFORM -0.1850 -0.1678 -0.9683 -0.8926 -0.3836 0.2370 0.4112 -0.9081 0.0788 98.757 24.332 78.595 A 36 GLU A 35 GLU~? A 47 ASP A 18 ASP~? A 161 TYR A 34 TYR~? ULMNm 3 1gal_c00 GLUCOSE OXIDASE (E.C.1.1.3.4) user 10 3 RMSD = 1.22 A TRANSFORM 0.1812 -0.2946 -0.9383 -0.1498 -0.9512 0.2697 0.9720 -0.0917 0.2165 122.386 12.058 48.672 412 GLU B 40 GLU.? 516 HIS B 51 HIS~? 559 HIS B 43 HIS.? ULMNm 3 1gal_c00 GLUCOSE OXIDASE (E.C.1.1.3.4) user 4 3 RMSD = 1.24 A TRANSFORM -0.1846 -0.2965 0.9370 0.1368 -0.9519 -0.2742 -0.9732 -0.0776 -0.2163 8.010 44.541 84.514 412 GLU A 40 GLU.? 516 HIS A 51 HIS~? 559 HIS A 43 HIS.? ULMNm 3 1cjy_c01 CYTOSOLIC PHOSPHOLIPASE A2 user 2 3 RMSD = 1.26 A TRANSFORM 0.5992 -0.7233 -0.3432 0.0914 -0.3641 0.9269 0.7954 0.5867 0.1521 172.806 8.366 93.903 B1198 GLY A 75 GLY~? B1228 SER A 73 SER~? B1549 ASP A 69 ASP~? ULMNm 3 1ecx_c02 AMINOTRANSFERASE user 6 3 RMSD = 1.26 A TRANSFORM -0.1772 0.9835 -0.0360 0.3118 0.0215 -0.9499 0.9335 0.1796 0.3105 -14.155 130.569 28.730 A 99 HIS B 45 HIS.? A 177 ASP A 86 ASP~? A 203 LYS B 3 LYS~? ULMNm 3 1elq_c02 L-CYSTEINE/L-CYSTINE C-S LYASE user 6 3 RMSD = 1.27 A TRANSFORM -0.2979 0.8438 0.4465 -0.9544 -0.2727 -0.1213 -0.0194 0.4623 -0.8865 -123.427 -4.532 37.110 A 114 HIS B 45 HIS.? A 197 ASP A 86 ASP~? A 223 LYS B 3 LYS~? ULMNm 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 2 3 RMSD = 1.28 A TRANSFORM 0.3776 -0.1282 -0.9171 0.3337 -0.9050 0.2639 0.8638 0.4057 0.2989 119.915 -5.497 15.504 A 198 GLY A 75 GLY~? A 228 SER A 73 SER~? A 549 ASP A 69 ASP~? ULMNm 3 1w1o_c00 CYTOKININ DEHYDROGENASE 1 user 4 3 RMSD = 1.31 A TRANSFORM -0.8374 0.3740 -0.3986 0.3883 -0.1062 -0.9154 0.3847 0.9213 0.0562 86.318 82.366 1.028 A 105 HIS A 53 HIS~? A 169 ASP B 27 ASP.? A 288 GLU B 28 GLU.? ULMNm 3 1geq_c03 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 4 3 RMSD = 1.33 A TRANSFORM -0.3521 0.8325 -0.4279 -0.2432 -0.5228 -0.8170 0.9038 0.1836 -0.3865 65.503 101.722 86.416 B 36 GLU B 40 GLU.? B 47 ASP B 18 ASP~? B 161 TYR B 34 TYR~? ULMNm 3 1geq_c02 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 4 3 RMSD = 1.34 A TRANSFORM 0.2551 0.5968 0.7607 0.3327 -0.7929 0.5105 -0.9079 -0.1228 0.4009 -26.342 -0.177 38.348 A 36 GLU B 40 GLU.? A 47 ASP B 18 ASP~? A 161 TYR B 34 TYR~? ULMNm 3 1geq_c03 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 2 3 RMSD = 1.34 A TRANSFORM 0.3677 0.8316 0.4163 0.2466 -0.5189 0.8185 -0.8967 0.1983 0.3958 9.417 -2.140 46.266 B 36 GLU A 40 GLU.? B 47 ASP A 18 ASP~? B 161 TYR A 34 TYR~? ULMNm 3 1geq_c02 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 2 3 RMSD = 1.35 A TRANSFORM -0.2570 0.5936 -0.7626 -0.3488 -0.7930 -0.4996 0.9013 -0.1376 -0.4108 70.635 66.029 80.268 A 36 GLU A 40 GLU.? A 47 ASP A 18 ASP~? A 161 TYR A 34 TYR~? ULMNm 3 2odj_o00 PORIN D user 4 3 RMSD = 1.35 A TRANSFORM -0.3391 0.7513 0.5662 -0.3192 0.4742 -0.8205 0.8849 0.4590 -0.0790 -57.522 72.285 33.254 A 156 HIS B 45 HIS.? A 208 ASP B 4 ASP~? A 296 SER A 73 SER~? ULMNm 3 1fc4_c05 2-AMINO-3-KETOBUTYRATE CONENZYME A Luser 1 3 RMSD = 1.41 A TRANSFORM 0.7719 0.6356 0.0088 0.6061 -0.7401 0.2913 -0.1917 0.2195 0.9566 -34.014 53.079 -5.163 B 136 HIS A 2 HIS~? B 210 ASP A 4 ASP~? B 244 LYS A 48 LYS~? ULMNm 3 1fc4_c04 2-AMINO-3-KETOBUTYRATE CONENZYME A Luser 1 3 RMSD = 1.41 A TRANSFORM 0.7835 0.6129 0.1020 -0.5721 0.7757 -0.2665 0.2425 -0.1505 -0.9584 -36.324 38.338 61.544 A 136 HIS A 2 HIS~? A 210 ASP A 4 ASP~? A 244 LYS A 48 LYS~? ULMNm 3 2odj_o01 PORIN D user 2 3 RMSD = 1.42 A TRANSFORM 0.8799 -0.4569 -0.1305 -0.4029 -0.5719 -0.7146 -0.2518 -0.6813 0.6873 -7.539 42.337 70.735 B 156 HIS A 45 HIS.? B 208 ASP A 4 ASP~? B 296 SER B 73 SER~? ULMNm 3 3hde_o01 LYSOZYME user 2 3 RMSD = 1.42 A TRANSFORM 0.4963 0.8191 0.2878 -0.3385 0.4878 -0.8047 0.7995 -0.3019 -0.5193 -43.186 36.802 9.198 B 35 GLU B 36 GLU~? B 44 ASP A 27 ASP.? B 50 THR A 29 THR.? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 1 3 RMSD = 1.42 A TRANSFORM 0.4667 -0.1021 0.8785 0.3241 -0.9045 -0.2772 -0.8229 -0.4141 0.3890 -25.032 60.754 -12.255 A 67 ASP A 86 ASP~? A 68 ALA A 85 ALA~? A 72 LEU A 84 LEU~? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 2 3 RMSD = 1.43 A TRANSFORM -0.9572 -0.1288 -0.2591 0.1511 -0.9862 -0.0680 0.2468 0.1042 -0.9635 30.453 27.486 25.503 14 ASP A 4 ASP~? 16 HIS A 2 HIS~? 67 GLY B 75 GLY.? ULMNm 3 3hde_o00 LYSOZYME user 2 3 RMSD = 1.43 A TRANSFORM -0.8707 0.4901 -0.0415 0.0847 0.2326 0.9689 -0.4845 -0.8400 0.2440 0.147 -92.323 -24.275 A 35 GLU B 36 GLU~? A 44 ASP A 27 ASP.? A 50 THR A 29 THR.? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 10 3 RMSD = 1.46 A TRANSFORM 0.7913 0.4458 -0.4185 0.6069 -0.6559 0.4488 0.0745 0.6091 0.7896 48.876 8.320 -60.927 A 229 ALA A 64 ALA~? A 257 ALA A 61 ALA~? A 328 ASP A 27 ASP.? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 21 3 RMSD = 1.47 A TRANSFORM -0.8055 0.4319 0.4057 -0.5885 -0.6629 -0.4629 -0.0690 0.6116 -0.7881 5.686 70.960 37.676 A 229 ALA B 64 ALA~? A 257 ALA B 61 ALA~? A 328 ASP B 27 ASP.? ULMNm 3 3hde_o00 LYSOZYME user 1 3 RMSD = 1.47 A TRANSFORM 0.8587 0.5082 0.0666 -0.0645 0.2361 -0.9696 0.5085 -0.8282 -0.2355 -15.319 28.715 0.709 A 35 GLU A 36 GLU~? A 44 ASP B 27 ASP.? A 50 THR B 29 THR.? ULMNm 3 3hde_o01 LYSOZYME user 1 3 RMSD = 1.48 A TRANSFORM -0.5058 0.8104 -0.2956 0.3069 0.4893 0.8163 -0.8062 -0.3222 0.4963 -2.137 -67.138 -45.751 B 35 GLU A 36 GLU~? B 44 ASP B 27 ASP.? B 50 THR B 29 THR.? ULMNm 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 2 3 RMSD = 1.49 A TRANSFORM -0.7534 0.4468 -0.4824 -0.5603 -0.0523 0.8266 -0.3441 -0.8931 -0.2898 42.693 14.192 79.449 179 ASP A 24 ASP.? 214 ASP B 27 ASP.? 289 ASP A 69 ASP~? ULMNm 3 1sll_c00 SIALIDASE L user 3 3 RMSD = 1.50 A TRANSFORM -0.4713 0.8432 0.2585 0.2242 -0.1690 0.9598 -0.8530 -0.5103 0.1094 -35.917 -49.616 30.895 318 ASP B 18 ASP~? 595 GLU B 40 GLU.? 713 TYR B 34 TYR~?