*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 4 1rk2_c02 RIBOKINASE user 4 4 RMSD = 1.47 A TRANSFORM -0.8508 0.2172 0.4784 -0.4289 -0.8132 -0.3935 -0.3035 0.5400 -0.7851 21.582 17.333 208.282 C 252 ALA A 25 ALA~? C 253 ALA A 23 ALA~? C 254 GLY A 27 GLY.? C 255 ASP A 21 ASP.? ULMNm 4 1rk2_c03 RIBOKINASE user 4 4 RMSD = 1.47 A TRANSFORM -0.9174 -0.3878 0.0899 -0.2592 0.7532 0.6046 0.3021 -0.5313 0.7915 31.126 -7.928 149.184 D 252 ALA A 25 ALA~? D 253 ALA A 23 ALA~? D 254 GLY A 27 GLY.? D 255 ASP A 21 ASP.? ULMNm 4 1rk2_c01 RIBOKINASE user 4 4 RMSD = 1.48 A TRANSFORM 0.3612 0.8010 0.4774 -0.8834 0.1301 0.4502 -0.2985 0.5844 -0.7546 -6.094 11.850 123.305 B 252 ALA A 25 ALA~? B 253 ALA A 23 ALA~? B 254 GLY A 27 GLY.? B 255 ASP A 21 ASP.? ULMNm 4 1rk2_c00 RIBOKINASE user 4 4 RMSD = 1.48 A TRANSFORM 0.3057 -0.6951 -0.6507 -0.9008 -0.4325 0.0388 0.3084 -0.5743 0.7583 20.756 21.328 65.386 A 252 ALA A 25 ALA~? A 253 ALA A 23 ALA~? A 254 GLY A 27 GLY.? A 255 ASP A 21 ASP.? ULMNm 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 5 3 RMSD = 0.91 A TRANSFORM 0.2842 0.9216 -0.2645 -0.6297 0.3874 0.6733 -0.7230 0.0248 -0.6904 -13.937 114.516 37.290 193 ASP A 50 ASP.? 231 ASP A 80 ASP~? 294 ASP A 46 ASP.? ULMNm 3 2c7v_c11 PTERIDINE REDUCTASE user 1 3 RMSD = 0.96 A TRANSFORM 0.2197 0.4753 -0.8519 0.6769 0.5546 0.4840 -0.7025 0.6830 0.1999 -41.790 -49.037 25.657 D 14 ARG A 40 ARG.? D 161 ASP A 48 ASP.? D 174 TYR A 73 TYR~? ULMNm 3 2c7v_c08 PTERIDINE REDUCTASE user 1 3 RMSD = 0.98 A TRANSFORM -0.1954 -0.4710 0.8602 0.7489 0.4947 0.4410 0.6333 -0.7304 -0.2560 24.781 -50.269 16.173 A 14 ARG A 40 ARG.? A 161 ASP A 48 ASP.? A 174 TYR A 73 TYR~? ULMNm 3 2c7v_c09 PTERIDINE REDUCTASE user 1 3 RMSD = 0.98 A TRANSFORM -0.2708 0.8067 -0.5253 -0.6799 -0.5466 -0.4889 0.6815 -0.2247 -0.6964 -29.952 54.746 -8.812 B 14 ARG A 40 ARG.? B 161 ASP A 48 ASP.? B 174 TYR A 73 TYR~? ULMNm 3 2c7v_c10 PTERIDINE REDUCTASE user 1 3 RMSD = 1.04 A TRANSFORM 0.2566 -0.8190 0.5133 -0.7444 -0.5061 -0.4355 -0.6164 0.2704 0.7395 15.360 56.585 40.831 C 14 ARG A 40 ARG.? C 161 ASP A 48 ASP.? C 174 TYR A 73 TYR~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 3 3 RMSD = 1.05 A TRANSFORM -0.4277 0.4665 0.7742 0.8760 0.4252 0.2277 0.2229 -0.7756 0.5906 29.833 3.739 32.711 A 316 ALA A 23 ALA~? A 317 GLY A 27 GLY.? A 318 ASP A 21 ASP.? ULMNm 3 1lio_c01 ADENOSINE KINASE user 1 3 RMSD = 1.08 A TRANSFORM -0.2373 0.6848 0.6890 0.4369 0.7087 -0.5539 0.8676 -0.1696 0.4674 26.771 18.988 20.529 A 316 ALA A 23 ALA~? A 317 GLY A 26 GLY~? A 318 ASP A 21 ASP.? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 2 3 RMSD = 1.08 A TRANSFORM -0.4462 -0.7963 0.4085 -0.7891 0.5654 0.2402 0.4222 0.2152 0.8806 22.456 -8.644 -63.737 B 250 ALA A 23 ALA~? B 251 GLY A 27 GLY.? B 252 ASP A 21 ASP.? ULMNm 3 1lij_c01 ADENOSINE KINASE user 3 3 RMSD = 1.10 A TRANSFORM -0.1113 0.0593 -0.9920 -0.4202 0.9018 0.1011 -0.9006 -0.4281 0.0754 154.118 25.626 13.681 A 316 ALA A 23 ALA~? A 317 GLY A 27 GLY.? A 318 ASP A 21 ASP.? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 2 3 RMSD = 1.11 A TRANSFORM 0.4868 -0.7624 -0.4265 0.5908 0.6469 -0.4822 -0.6435 0.0172 -0.7653 20.441 -24.707 14.992 A 250 ALA A 23 ALA~? A 251 GLY A 27 GLY.? A 252 ASP A 21 ASP.? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 1.12 A TRANSFORM -0.5020 0.0072 0.8648 0.8498 -0.1815 0.4948 -0.1605 -0.9834 -0.0850 43.051 -123.477 -105.297 A 420 ALA A 36 ALA.? B 182 GLY A 17 GLY~? B 183 GLY A 16 GLY~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 9 3 RMSD = 1.21 A TRANSFORM 0.7325 0.0124 -0.6806 0.4625 -0.7427 0.4843 0.4995 0.6695 0.5498 -1.273 23.947 -14.313 A 316 ALA A 114 ALA.? A 317 GLY A 116 GLY.? A 318 ASP A 115 ASP.? ULMNm 3 1lij_c01 ADENOSINE KINASE user 1 3 RMSD = 1.24 A TRANSFORM -0.5412 -0.5831 -0.6059 -0.7838 0.6107 0.1124 -0.3045 -0.5358 0.7876 159.698 33.062 -4.155 A 316 ALA A 23 ALA~? A 317 GLY A 26 GLY~? A 318 ASP A 21 ASP.? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.24 A TRANSFORM 0.3659 -0.4783 0.7983 -0.7636 0.3360 0.5513 0.5320 0.8114 0.2423 2.775 -11.536 -60.775 B 250 ALA A 23 ALA~? B 251 GLY A 26 GLY~? B 252 ASP A 21 ASP.? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.28 A TRANSFORM 0.6024 -0.6820 -0.4147 -0.2135 0.3629 -0.9070 -0.7691 -0.6349 -0.0730 17.851 -4.935 11.969 A 250 ALA A 23 ALA~? A 251 GLY A 26 GLY~? A 252 ASP A 21 ASP.? ULMNm 3 1e3v_c03 STEROID DELTA-ISOMERASE user 6 3 RMSD = 1.33 A TRANSFORM 0.1220 -0.4412 -0.8891 0.9565 -0.1868 0.2240 0.2649 0.8778 -0.3992 16.382 -48.994 26.960 B 16 TYR A 73 TYR~? B 40 ASP A 52 ASP.? B 103 ASP A 48 ASP.? ULMNm 3 1lio_c01 ADENOSINE KINASE user 8 3 RMSD = 1.36 A TRANSFORM 0.1384 -0.1367 0.9809 -0.9318 -0.3535 0.0822 -0.3355 0.9254 0.1763 18.982 40.660 40.297 A 316 ALA A 28 ALA.? A 317 GLY A 27 GLY.? A 318 ASP A 21 ASP.? ULMNm 3 1lij_c01 ADENOSINE KINASE user 9 3 RMSD = 1.37 A TRANSFORM -0.9773 -0.2107 -0.0230 0.1269 -0.4948 -0.8597 -0.1697 0.8431 -0.5103 200.016 40.354 -22.399 A 316 ALA A 114 ALA.? A 317 GLY A 116 GLY.? A 318 ASP A 115 ASP.? ULMNm 3 2dbt_c00 CHITINASE C user 1 3 RMSD = 1.37 A TRANSFORM 0.5334 0.8417 0.0838 -0.4323 0.3564 -0.8283 0.7271 -0.4056 -0.5540 29.020 48.164 0.896 A 147 GLU A 136 GLU~? A 156 GLU A 187 GLU~? A 194 ASN A 89 ASN~? ULMNm 3 2dbt_c01 CHITINASE C user 1 3 RMSD = 1.37 A TRANSFORM -0.7761 -0.6203 0.1138 -0.5112 0.5131 -0.6895 -0.3693 0.5933 0.7153 91.054 91.661 0.437 B 147 GLU A 136 GLU~? B 156 GLU A 187 GLU~? B 194 ASN A 89 ASN~? ULMNm 3 1e3v_c02 STEROID DELTA-ISOMERASE user 6 3 RMSD = 1.37 A TRANSFORM 0.1406 -0.3573 -0.9234 -0.9573 0.1889 -0.2189 -0.2526 -0.9147 0.3155 12.436 11.715 118.229 A 16 TYR A 73 TYR~? A 40 ASP A 52 ASP.? A 103 ASP A 48 ASP.? ULMNm 3 1c54_c00 RIBONUCLEASE SA user 2 3 RMSD = 1.38 A TRANSFORM 0.4431 0.0316 0.8959 -0.8007 -0.4355 0.4114 -0.4031 0.8996 0.1677 -35.077 24.008 -46.809 A 54 GLU A 167 GLU~? A 65 ARG A 177 ARG~? A 85 HIS A 173 HIS~? ULMNm 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 RMSD = 1.38 A TRANSFORM -0.9255 0.1264 -0.3570 0.3673 0.0701 -0.9275 0.0922 0.9895 0.1113 43.983 -67.327 -132.631 A 183 GLY A 26 GLY~? B 419 GLY A 27 GLY.? B 420 ALA A 28 ALA.? ULMNm 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 3 3 RMSD = 1.39 A TRANSFORM 0.7784 0.0034 0.6278 0.4164 -0.7512 -0.5122 -0.4699 -0.6601 0.5861 7.647 -69.386 -122.754 A 183 GLY A 27 GLY.? B 419 GLY A 26 GLY~? B 420 ALA A 25 ALA~? ULMNm 3 2dbt_c02 CHITINASE C user 1 3 RMSD = 1.40 A TRANSFORM -0.2162 -0.9202 -0.3262 0.6425 -0.3857 0.6622 0.7352 0.0664 -0.6746 80.783 -7.111 -2.632 C 147 GLU A 136 GLU~? C 156 GLU A 187 GLU~? C 194 ASN A 89 ASN~? ULMNm 3 1e3v_c03 STEROID DELTA-ISOMERASE user 1 3 RMSD = 1.40 A TRANSFORM -0.4079 -0.7762 -0.4808 0.0022 -0.5274 0.8496 0.9130 -0.3455 -0.2168 47.405 -4.810 40.749 B 16 TYR A 43 TYR.? B 40 ASP A 50 ASP.? B 103 ASP A 48 ASP.? ULMNm 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 2 3 RMSD = 1.41 A TRANSFORM -0.4335 -0.6642 0.6091 -0.8939 0.4028 -0.1968 0.1146 0.6298 0.7683 22.190 91.962 0.897 179 ASP A 93 ASP~? 227 GLU A 136 GLU~? 289 ASP A 188 ASP~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 7 3 RMSD = 1.41 A TRANSFORM 0.1953 0.9803 0.0276 0.1346 0.0011 -0.9909 0.9715 -0.1973 0.1317 -30.881 -18.263 -89.471 B 250 ALA A 114 ALA.? B 251 GLY A 116 GLY.? B 252 ASP A 115 ASP.? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 7 3 RMSD = 1.41 A TRANSFORM -0.4013 0.2744 0.8739 -0.2543 -0.9499 0.1815 -0.8799 0.1494 -0.4510 26.180 30.344 38.113 A 250 ALA A 114 ALA.? A 251 GLY A 116 GLY.? A 252 ASP A 115 ASP.? ULMNm 3 1bd3_c03 URACIL PHOSPHORIBOSYLTRANSFERASE user 1 3 RMSD = 1.41 A TRANSFORM 0.8402 -0.0124 0.5421 0.4128 -0.6336 -0.6543 -0.3516 -0.7736 0.5272 -17.615 80.259 126.814 B 137 ARG A 40 ARG.? B 141 THR A 34 THR.? B 235 ASP A 48 ASP.? ULMNm 3 1e3v_c02 STEROID DELTA-ISOMERASE user 1 3 RMSD = 1.43 A TRANSFORM -0.3274 -0.8002 -0.5025 -0.0052 0.5333 -0.8459 -0.9449 0.2744 0.1788 44.491 -32.522 107.217 A 16 TYR A 43 TYR.? A 40 ASP A 50 ASP.? A 103 ASP A 48 ASP.? ULMNm 3 1a05_c01 3-ISOPROPYLMALATE DEHYDROGENASE user 3 3 RMSD = 1.43 A TRANSFORM 0.1616 -0.9778 -0.1336 -0.5571 0.0214 -0.8302 -0.8146 -0.2085 0.5412 21.920 40.827 58.242 A 190 LYS A 39 LYS.? A 222 ASP A 52 ASP.? B 140 TYR A 73 TYR~? ULMNm 3 1a05_c00 3-ISOPROPYLMALATE DEHYDROGENASE user 3 3 RMSD = 1.44 A TRANSFORM -0.1612 0.9779 0.1330 -0.5552 0.0216 -0.8315 0.8160 0.2078 -0.5394 -13.206 40.679 7.188 A 140 TYR A 73 TYR~? B 190 LYS A 39 LYS.? B 222 ASP A 52 ASP.? ULMNm 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 4 3 RMSD = 1.44 A TRANSFORM -0.4301 -0.5216 0.7369 -0.5517 -0.4942 -0.6718 -0.7146 0.6955 0.0752 17.058 107.537 38.197 179 ASP A 93 ASP~? 227 GLU A 147 GLU~? 289 ASP A 188 ASP~? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 2 3 RMSD = 1.45 A TRANSFORM 0.6810 0.0878 0.7270 0.7223 -0.2438 -0.6472 -0.1204 -0.9658 0.2294 -25.047 25.880 103.674 A 241 ASP A 93 ASP~? A 265 GLU A 147 GLU~? A 369 ASP A 188 ASP~? ULMNm 3 1bs0_c01 8-AMINO-7-OXONANOATE SYNTHASE user 1 3 RMSD = 1.45 A TRANSFORM -0.6934 0.1447 -0.7059 0.7192 0.1984 -0.6658 -0.0437 0.9694 0.2417 26.482 -32.470 13.899 A 109 PHE A 72 PHE~? A 205 ASP A 44 ASP.? A 236 LYS A 39 LYS.? ULMNm 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 4 3 RMSD = 1.45 A TRANSFORM -0.5442 0.6727 -0.5014 0.1815 -0.4890 -0.8532 0.8191 0.5553 -0.1440 28.288 112.988 -33.259 193 ASP A 48 ASP.? 231 ASP A 188 ASP~? 294 ASP A 52 ASP.? ULMNm 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 1 3 RMSD = 1.45 A TRANSFORM -0.0135 -0.9774 0.2110 0.1247 -0.2111 -0.9695 -0.9921 -0.0132 -0.1248 51.811 44.406 34.348 199 ASP A 21 ASP.? 242 GLU A 15 GLU~? 329 ASP A 24 ASP~? ULMNm 3 1pow_c03 PYRUVATE OXIDASE (E.C.1.2.3.3) (WILDuser 2 3 RMSD = 1.46 A TRANSFORM -0.0939 0.0180 0.9954 0.6513 -0.7551 0.0751 -0.7530 -0.6554 -0.0592 -49.473 82.420 62.882 B 264 ARG A 190 ARG~? B 479 PHE A 139 PHE~? B 483 GLU A 136 GLU~? ULMNm 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 5 3 RMSD = 1.47 A TRANSFORM 0.5188 0.6490 -0.5565 -0.0926 -0.6044 -0.7913 0.8499 -0.4620 0.2535 -17.631 96.043 7.623 179 ASP A 188 ASP~? 227 GLU A 136 GLU~? 289 ASP A 93 ASP~? ULMNm 3 1ax4_c07 TRYPTOPHANASE user 15 3 RMSD = 1.47 A TRANSFORM -0.0540 -0.9702 0.2361 -0.7717 0.1906 0.6067 0.6337 0.1494 0.7590 -7.276 67.684 12.607 D 130 PHE A 145 PHE~? D 223 ASP A 93 ASP~? D 265 LYS A 191 LYS~? ULMNm 3 1ax4_c04 TRYPTOPHANASE user 15 3 RMSD = 1.47 A TRANSFORM 0.0738 0.9668 -0.2446 -0.3862 0.2539 0.8868 -0.9194 -0.0290 -0.3921 7.964 44.567 106.455 A 130 PHE A 145 PHE~? A 223 ASP A 93 ASP~? A 265 LYS A 191 LYS~? ULMNm 3 1do8_c02 MALIC ENZYME user 3 3 RMSD = 1.48 A TRANSFORM -0.0783 -0.3753 -0.9236 -0.4064 0.8580 -0.3142 -0.9103 -0.3507 0.2197 93.691 -23.190 51.124 C 112 TYR A 73 TYR~? C 183 LYS A 39 LYS.? C 278 ASP A 52 ASP.? ULMNm 3 1ax4_c05 TRYPTOPHANASE user 15 3 RMSD = 1.48 A TRANSFORM -0.8075 -0.0830 -0.5840 0.5534 -0.4493 -0.7013 0.2042 0.8895 -0.4088 48.898 60.881 68.218 B 130 PHE A 145 PHE~? B 223 ASP A 93 ASP~? B 265 LYS A 191 LYS~? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 3 3 RMSD = 1.48 A TRANSFORM -0.9558 0.1966 -0.2185 0.2005 0.9797 0.0042 -0.2148 0.0398 0.9758 40.408 -12.793 -27.330 A 465 GLY A 102 GLY~? A 501 ASP A 61 ASP~? B 367 TYR A 157 TYR~? ULMNm 3 1do8_c01 MALIC ENZYME user 3 3 RMSD = 1.48 A TRANSFORM -0.6486 -0.5002 -0.5738 0.3764 -0.8659 0.3294 0.6616 0.0023 -0.7499 99.200 23.807 37.367 B 112 TYR A 73 TYR~? B 183 LYS A 39 LYS.? B 278 ASP A 52 ASP.? ULMNm 3 1ax4_c06 TRYPTOPHANASE user 15 3 RMSD = 1.48 A TRANSFORM 0.8005 0.0815 0.5938 0.5946 0.0168 -0.8039 0.0755 -0.9965 0.0350 -47.829 63.640 54.186 C 130 PHE A 145 PHE~? C 223 ASP A 93 ASP~? C 265 LYS A 191 LYS~? ULMNm 3 1qho_c05 ALPHA-AMYLASE user 3 3 RMSD = 1.48 A TRANSFORM -0.9957 0.0335 -0.0866 -0.0841 -0.7208 0.6880 0.0394 -0.6923 -0.7205 65.164 95.746 48.621 A 228 ASP A 48 ASP.? A 261 ASP A 63 ASP~? A 329 ASP A 52 ASP.? ULMNm 3 1lij_c01 ADENOSINE KINASE user 8 3 RMSD = 1.49 A TRANSFORM 0.3682 -0.4387 -0.8197 0.2828 -0.7870 0.5483 0.8857 0.4337 0.1657 146.385 14.424 -22.858 A 316 ALA A 28 ALA.? A 317 GLY A 27 GLY.? A 318 ASP A 21 ASP.? ULMNm 3 1ddj_c13 PLASMINOGEN user 1 3 RMSD = 1.49 A TRANSFORM -0.2272 -0.2774 0.9335 -0.0691 0.9608 0.2687 0.9714 0.0034 0.2374 -28.847 29.328 -43.951 B 603 HIS A 20 HIS^? B 646 ASP A 21 ASP.? B 739 GLY A 32 GLY.? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 3 3 RMSD = 1.49 A TRANSFORM -0.7640 -0.6378 -0.0969 0.6237 -0.7686 0.1423 0.1653 -0.0482 -0.9851 73.761 56.507 -36.354 D 465 GLY A 102 GLY~? D 501 ASP A 61 ASP~? E 367 TYR A 157 TYR~? ULMNm 3 1pow_c02 PYRUVATE OXIDASE (E.C.1.2.3.3) (WILDuser 2 3 RMSD = 1.49 A TRANSFORM 0.0822 0.0076 -0.9966 0.1333 0.9909 0.0185 -0.9877 0.1344 -0.0804 40.056 26.798 38.217 A 264 ARG A 190 ARG~? A 479 PHE A 139 PHE~? A 483 GLU A 136 GLU~?