*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 3 3 RMSD = 0.92 A TRANSFORM 0.8574 0.0196 -0.5143 -0.5147 0.0298 -0.8569 0.0014 -0.9994 -0.0357 35.931 94.362 -22.415 D 465 GLY A 162 GLY.? D 501 ASP A 72 ASP.? E 367 TYR A 152 TYR^? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 3 3 RMSD = 0.93 A TRANSFORM 0.9374 -0.0588 0.3432 -0.3446 -0.0157 0.9386 0.0498 0.9981 0.0350 -12.069 -7.347 -43.899 A 465 GLY A 162 GLY.? A 501 ASP A 72 ASP.? B 367 TYR A 152 TYR^? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 2 3 RMSD = 1.12 A TRANSFORM 0.1444 -0.8678 0.4755 0.8703 -0.1173 -0.4784 -0.4709 -0.4829 -0.7383 25.639 44.440 12.483 D 465 GLY A 37 GLY.? D 501 ASP A 25 ASP~? E 367 TYR A 152 TYR^? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 2 3 RMSD = 1.14 A TRANSFORM -0.6095 -0.4751 0.6347 -0.6498 0.7580 -0.0566 0.4542 0.4469 0.7707 22.011 31.346 -77.919 A 465 GLY A 37 GLY.? A 501 ASP A 25 ASP~? B 367 TYR A 152 TYR^? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 16 3 RMSD = 1.19 A TRANSFORM -0.4460 -0.2292 0.8652 0.8694 0.1188 0.4796 0.2127 -0.9661 -0.1463 22.331 -12.453 8.454 A 229 ALA A 113 ALA~? A 257 ALA A 111 ALA~? A 328 ASP A 107 ASP.? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 3 3 RMSD = 1.20 A TRANSFORM 0.3045 0.1540 0.9400 -0.6255 -0.7119 0.3193 -0.7184 0.6851 0.1205 -2.985 54.231 19.924 A 229 ALA A 16 ALA.? A 257 ALA A 19 ALA~? A 328 ASP A 89 ASP.? ULMNm 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 2 3 RMSD = 1.21 A TRANSFORM 0.6675 -0.7444 0.0175 0.5652 0.5219 0.6389 0.4847 0.4165 -0.7691 13.241 62.547 17.232 193 ASP A 85 ASP.? 231 ASP A 49 ASP~? 294 ASP A 107 ASP.? ULMNm 3 1ct9_c04 ASPARAGINE SYNTHETASE B user 1 3 RMSD = 1.21 A TRANSFORM -0.2514 0.3136 0.9157 -0.5068 -0.8487 0.1515 -0.8246 0.4259 -0.3723 -33.725 90.899 149.819 A 1 ALA A 41 ALA^? A 74 ASN A 42 ASN.? A 75 GLY A 234 GLY~? ULMNm 3 1ct9_c05 ASPARAGINE SYNTHETASE B user 1 3 RMSD = 1.23 A TRANSFORM -0.8421 -0.1237 0.5249 -0.5383 0.1339 -0.8320 -0.0326 0.9832 0.1793 47.558 56.531 0.103 B 1 ALA A 41 ALA^? B 74 ASN A 42 ASN.? B 75 GLY A 234 GLY~? ULMNm 3 1qho_c07 ALPHA-AMYLASE user 5 3 RMSD = 1.23 A TRANSFORM 0.2720 0.9527 -0.1356 0.9350 -0.2950 -0.1971 0.2278 0.0732 0.9710 14.873 58.899 -0.700 A 228 ASP A 72 ASP.? A 260 ASP A 89 ASP.? A 329 ASP A 69 ASP^? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 1.24 A TRANSFORM 0.9156 -0.0609 0.3975 0.3796 -0.1953 -0.9043 -0.1327 -0.9789 0.1557 10.216 -63.622 -122.454 A 420 ALA A 240 ALA~? B 182 GLY A 99 GLY.? B 183 GLY A 245 GLY.? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 RMSD = 1.26 A TRANSFORM -0.7572 0.3222 -0.5682 0.2921 0.9451 0.1467 -0.5843 0.0549 0.8097 73.018 -122.178 -157.340 A 420 ALA A 249 ALA^? B 182 GLY A 245 GLY.? B 183 GLY A 99 GLY.? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 8 3 RMSD = 1.26 A TRANSFORM 0.6832 0.7284 0.0510 -0.3231 0.3642 -0.8735 0.6548 -0.5803 -0.4842 -3.221 59.507 7.324 A 229 ALA A 19 ALA~? A 257 ALA A 35 ALA.? A 328 ASP A 261 ASP^? ULMNm 3 1ct9_c07 ASPARAGINE SYNTHETASE B user 1 3 RMSD = 1.28 A TRANSFORM -0.1078 0.2488 -0.9625 0.9876 0.1377 -0.0750 -0.1138 0.9587 0.2606 17.964 13.296 89.104 D 1 ALA A 41 ALA^? D 74 ASN A 42 ASN.? D 75 GLY A 234 GLY~? ULMNm 3 1ct9_c06 ASPARAGINE SYNTHETASE B user 1 3 RMSD = 1.28 A TRANSFORM 0.4614 0.6778 -0.5724 0.0636 0.6183 0.7834 -0.8849 0.3979 -0.2422 7.856 -28.054 61.442 C 1 ALA A 41 ALA^? C 74 ASN A 42 ASN.? C 75 GLY A 234 GLY~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 1 3 RMSD = 1.29 A TRANSFORM -0.0268 0.8218 0.5691 -0.8931 0.2360 -0.3829 0.4490 0.5185 -0.7277 7.394 69.828 -1.721 A 229 ALA A 15 ALA.? A 257 ALA A 35 ALA.? A 328 ASP A 261 ASP^? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 7 3 RMSD = 1.29 A TRANSFORM -0.6936 0.1891 0.6951 -0.0299 0.9566 -0.2900 0.7197 0.2219 0.6578 50.286 -4.650 -28.137 A 67 ASP A 261 ASP^? A 68 ALA A 81 ALA.? A 72 LEU A 80 LEU.? ULMNm 3 1jxa_c02 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 2 3 RMSD = 1.30 A TRANSFORM -0.5888 0.7912 -0.1653 0.4782 0.5058 0.7180 -0.6517 -0.3437 0.6762 -26.952 -48.787 -5.352 A 1 CYH A 233 CYH.? A 98 ASN A 42 ASN.? A 99 GLY A 124 GLY.? ULMNm 3 1smn_c00 EXTRACELLULAR ENDONUCLEASE user 2 3 RMSD = 1.31 A TRANSFORM -0.8501 -0.4716 -0.2345 -0.5258 0.7337 0.4304 0.0310 -0.4892 0.8716 69.182 8.699 39.094 A 87 ARG A 94 ARG^? A 89 HIS A 256 HIS.? A 119 ASN A 148 ASN.? ULMNm 3 1qho_c05 ALPHA-AMYLASE user 1 3 RMSD = 1.31 A TRANSFORM -0.4221 -0.4360 -0.7948 -0.8764 0.4206 0.2347 -0.2320 -0.7956 0.5597 68.501 76.648 33.077 A 228 ASP A 69 ASP^? A 261 ASP A 49 ASP~? A 329 ASP A 72 ASP.? ULMNm 3 2odj_o01 PORIN D user 4 3 RMSD = 1.31 A TRANSFORM 0.9642 -0.2486 -0.0919 -0.1572 -0.2572 -0.9535 -0.2134 -0.9338 0.2871 -27.249 42.520 85.414 B 156 HIS A 256 HIS.? B 208 ASP A 218 ASP.? B 296 SER A 244 SER~? ULMNm 3 1qho_c07 ALPHA-AMYLASE user 4 3 RMSD = 1.31 A TRANSFORM 0.5001 0.8648 -0.0454 0.8240 -0.4914 -0.2822 0.2664 -0.1037 0.9583 9.457 66.951 2.108 A 228 ASP A 72 ASP.? A 260 ASP A 85 ASP.? A 329 ASP A 69 ASP^? ULMNm 3 1hto_c00 GLUTAMINE SYNTHETASE user 1 3 RMSD = 1.32 A TRANSFORM -0.1715 -0.7013 0.6920 -0.9450 0.3155 0.0856 0.2784 0.6393 0.7168 69.917 60.302 84.977 A 50 ASP A 49 ASP~? A 327 GLU A 223 GLU.? A 339 ARG A 221 ARG.? ULMNm 3 1smn_c01 EXTRACELLULAR ENDONUCLEASE user 2 3 RMSD = 1.32 A TRANSFORM 0.8580 0.4640 0.2201 -0.5118 0.7372 0.4411 -0.0424 0.4912 -0.8700 -70.223 7.518 64.571 B 87 ARG A 94 ARG^? B 89 HIS A 256 HIS.? B 119 ASN A 148 ASN.? ULMNm 3 1qho_c07 ALPHA-AMYLASE user 1 3 RMSD = 1.33 A TRANSFORM -0.7593 -0.6394 -0.1212 0.3414 -0.5500 0.7622 0.5540 -0.5373 -0.6359 63.295 53.700 40.675 A 228 ASP A 69 ASP^? A 260 ASP A 85 ASP.? A 329 ASP A 72 ASP.? ULMNm 3 1lio_c01 ADENOSINE KINASE user 1 3 RMSD = 1.34 A TRANSFORM 0.3420 -0.8712 -0.3523 0.5735 -0.1034 0.8126 0.7444 0.4800 -0.4643 56.338 -8.301 42.975 A 316 ALA A 161 ALA.? A 317 GLY A 162 GLY.? A 318 ASP A 53 ASP~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 2 3 RMSD = 1.34 A TRANSFORM 0.3903 -0.9066 -0.1606 0.5150 0.3595 -0.7781 -0.7632 -0.2210 -0.6072 47.593 18.081 60.995 A 229 ALA A 16 ALA.? A 257 ALA A 15 ALA.? A 328 ASP A 12 ASP.? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 1 3 RMSD = 1.38 A TRANSFORM 0.6274 0.5695 -0.5310 -0.7556 0.2805 -0.5920 0.1882 -0.7726 -0.6063 31.958 131.287 61.635 229 ASP A 25 ASP~? 264 GLU A 14 GLU.? 328 ASP A 89 ASP.? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 6 3 RMSD = 1.39 A TRANSFORM -0.9557 0.2712 -0.1143 0.2234 0.4158 -0.8816 0.1915 0.8681 0.4580 77.214 11.773 -17.266 A 67 ASP A 261 ASP^? A 68 ALA A 81 ALA.? A 72 LEU A 79 LEU.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 3 3 RMSD = 1.41 A TRANSFORM -0.2194 -0.9601 -0.1733 0.1178 -0.2024 0.9722 0.9685 -0.1929 -0.1575 32.280 -24.272 -25.223 141 ASP A 89 ASP.? 166 GLY A 33 GLY.? 169 GLU A 135 GLU.? ULMNm 3 2odj_o00 PORIN D user 4 3 RMSD = 1.42 A TRANSFORM 0.2710 0.9501 -0.1544 0.0856 0.1360 0.9870 -0.9588 0.2806 0.0444 -4.548 -29.870 51.019 A 156 HIS A 256 HIS.? A 208 ASP A 218 ASP.? A 296 SER A 244 SER~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 3 3 RMSD = 1.42 A TRANSFORM -0.9418 -0.3221 0.0965 -0.0019 0.2921 0.9564 0.3363 -0.9005 0.2757 80.834 -24.952 9.032 A 67 ASP A 89 ASP.? A 68 ALA A 84 ALA.? A 72 LEU A 86 LEU.? ULMNm 3 1cns_c00 CHITINASE user 1 3 RMSD = 1.43 A TRANSFORM -0.1447 0.5179 0.8431 0.3005 -0.7888 0.5362 -0.9427 -0.3309 0.0414 -60.066 -18.850 93.225 A 67 GLU A 103 GLU^? A 89 GLU A 114 GLU.? A 120 SER A 110 SER~? ULMNm 3 1nww_c03 LIMONENE-1,2-EPOXIDE HYDROLASE user 4 3 RMSD = 1.43 A TRANSFORM 0.3872 0.4897 0.7812 0.5795 -0.7883 0.2068 -0.7171 -0.3726 0.5890 -27.344 1.254 4.763 B 99 ARG A 163 ARG.? B 101 ASP A 53 ASP~? B 132 ASP A 49 ASP~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 6 3 RMSD = 1.43 A TRANSFORM 0.8224 -0.1755 -0.5411 -0.5283 0.1169 -0.8409 -0.2109 -0.9775 -0.0034 25.218 70.898 34.576 A 229 ALA A 19 ALA~? A 257 ALA A 15 ALA.? A 328 ASP A 261 ASP^? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 5 3 RMSD = 1.43 A TRANSFORM -0.1473 0.9282 0.3416 -0.8799 -0.2807 0.3835 -0.4518 0.2441 -0.8581 34.214 22.850 63.979 A 67 ASP A 107 ASP.? A 68 ALA A 106 ALA.? A 72 LEU A 92 LEU.? ULMNm 3 1d6o_c00 FK506-BINDING PROTEIN user 1 3 RMSD = 1.43 A TRANSFORM -0.8515 -0.4096 -0.3273 0.2813 0.1697 -0.9445 -0.4425 0.8963 0.0293 96.701 16.079 1.155 A 37 ASP A 85 ASP.? A 56 ILE A 250 ILE^? A 82 TYR A 93 TYR^? ULMNm 3 1bd3_c01 URACIL PHOSPHORIBOSYLTRANSFERASE user 4 3 RMSD = 1.43 A TRANSFORM -0.8706 -0.2517 -0.4227 0.2904 0.4304 -0.8546 -0.3971 0.8668 0.3016 39.705 100.083 90.711 D 137 ARG A 20 ARG~? D 141 THR A 39 THR^? D 235 ASP A 25 ASP~? ULMNm 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 1 3 RMSD = 1.43 A TRANSFORM 0.8034 0.5051 0.3154 0.3393 -0.8236 0.4545 -0.4893 0.2581 0.8330 14.292 15.325 -41.899 A 261 GLY A 207 GLY~? B 17 GLN A 205 GLN~? B 140 GLU A 204 GLU~? ULMNm 3 1nww_c02 LIMONENE-1,2-EPOXIDE HYDROLASE user 4 3 RMSD = 1.44 A TRANSFORM -0.3978 -0.4834 -0.7798 -0.6411 0.7545 -0.1407 -0.6563 -0.4439 0.6101 50.288 22.864 3.433 A 99 ARG A 163 ARG.? A 101 ASP A 53 ASP~? A 132 ASP A 49 ASP~? ULMNm 3 1d6o_c01 FK506-BINDING PROTEIN user 1 3 RMSD = 1.44 A TRANSFORM -0.8521 -0.4139 -0.3202 0.2884 0.1393 -0.9473 -0.4367 0.8996 -0.0007 99.413 -0.204 -25.756 B 37 ASP A 85 ASP.? B 56 ILE A 250 ILE^? B 82 TYR A 93 TYR^? ULMNm 3 1lij_c01 ADENOSINE KINASE user 1 3 RMSD = 1.44 A TRANSFORM -0.9162 0.3100 0.2538 -0.2935 -0.9506 0.1012 -0.2726 -0.0182 -0.9619 134.854 36.854 33.515 A 316 ALA A 161 ALA.? A 317 GLY A 162 GLY.? A 318 ASP A 53 ASP~? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 4 3 RMSD = 1.44 A TRANSFORM -0.9790 -0.2016 0.0309 0.1709 -0.7283 0.6637 0.1113 -0.6550 -0.7474 77.733 63.437 66.642 229 ASP A 85 ASP.? 264 GLU A 114 GLU.? 328 ASP A 107 ASP.? ULMNm 3 1nu3_c00 LIMONENE-1,2-EPOXIDE HYDROLASE user 5 3 RMSD = 1.45 A TRANSFORM -0.4019 -0.4718 -0.7848 -0.6506 0.7502 -0.1178 -0.6444 -0.4633 0.6084 50.493 22.224 3.500 A 99 ARG A 163 ARG.? A 101 ASP A 53 ASP~? A 132 ASP A 49 ASP~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.45 A TRANSFORM 0.0185 0.9917 0.1273 -0.2812 -0.1171 0.9525 -0.9595 0.0534 -0.2767 0.800 -46.696 11.941 A 250 ALA A 161 ALA.? A 251 GLY A 162 GLY.? A 252 ASP A 53 ASP~? ULMNm 3 1nu3_c01 LIMONENE-1,2-EPOXIDE HYDROLASE user 5 3 RMSD = 1.45 A TRANSFORM 0.3742 0.4706 0.7990 0.5682 -0.7973 0.2036 -0.7329 -0.3778 0.5658 -27.613 1.807 5.798 B 99 ARG A 163 ARG.? B 101 ASP A 53 ASP~? B 132 ASP A 49 ASP~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 10 3 RMSD = 1.45 A TRANSFORM 0.6931 -0.7141 -0.0982 -0.5735 -0.4638 -0.6753 -0.4367 -0.5244 0.7310 29.920 80.102 15.330 A 229 ALA A 35 ALA.? A 257 ALA A 15 ALA.? A 328 ASP A 261 ASP^? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.45 A TRANSFORM 0.3050 0.3258 -0.8949 -0.2813 -0.8669 -0.4115 0.9099 -0.3773 0.1727 40.015 13.018 -53.120 B 250 ALA A 161 ALA.? B 251 GLY A 162 GLY.? B 252 ASP A 53 ASP~? ULMNm 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 1.50 A TRANSFORM 0.2778 0.1877 0.9421 -0.8299 -0.4471 0.3338 -0.4839 0.8746 -0.0315 -23.731 -66.653 -129.621 A 183 GLY A 99 GLY.? B 419 GLY A 245 GLY.? B 420 ALA A 243 ALA~? ULMNm 3 1bd3_c01 URACIL PHOSPHORIBOSYLTRANSFERASE user 1 3 RMSD = 1.50 A TRANSFORM 0.5975 0.8008 0.0414 0.5279 -0.3539 -0.7720 0.6036 -0.4831 0.6343 -44.940 101.886 68.062 D 137 ARG A 20 ARG~? D 141 THR A 22 THR~? D 235 ASP A 69 ASP^?