*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1qho_c05 ALPHA-AMYLASE user 10 3 RMSD = 0.76 A TRANSFORM -0.3127 -0.1772 -0.9332 -0.3130 -0.9084 0.2773 0.8968 -0.3788 -0.2286 105.043 90.801 35.819 A 228 ASP A 91 ASP^? A 261 ASP A 77 ASP~? A 329 ASP A 68 ASP~? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 1 3 RMSD = 0.87 A TRANSFORM 0.2534 -0.9260 0.2798 -0.7233 -0.3735 -0.5808 -0.6423 0.0552 0.7645 19.734 100.067 48.490 A 241 ASP A 68 ASP~? A 265 GLU A 36 GLU.? A 369 ASP A 91 ASP^? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 3 3 RMSD = 0.94 A TRANSFORM 0.9156 -0.2941 0.2743 0.2157 0.9347 0.2824 0.3395 0.1994 -0.9192 -18.806 -184.668 -90.207 A 420 ALA A 158 ALA~? B 182 GLY A 164 GLY.? B 183 GLY A 163 GLY~? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 RMSD = 1.06 A TRANSFORM -0.8296 0.3987 -0.3910 -0.3665 -0.9170 -0.1575 0.4213 -0.0126 -0.9068 96.715 -20.769 -84.819 A 420 ALA A 158 ALA~? B 182 GLY A 163 GLY~? B 183 GLY A 164 GLY.? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 4 3 RMSD = 1.08 A TRANSFORM 0.4859 0.8464 -0.2180 -0.3634 0.4224 0.8303 -0.7949 0.3242 -0.5129 18.768 27.103 81.866 229 ASP A 68 ASP~? 264 GLU A 6 GLU^? 328 ASP A 91 ASP^? ULMNm 3 1nww_c03 LIMONENE-1,2-EPOXIDE HYDROLASE user 8 3 RMSD = 1.08 A TRANSFORM 0.6268 -0.2363 0.7425 0.6774 -0.3056 -0.6691 -0.3851 -0.9224 0.0314 -43.500 40.617 52.806 B 99 ARG A 89 ARG^? B 101 ASP A 91 ASP^? B 132 ASP A 68 ASP~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 1 3 RMSD = 1.10 A TRANSFORM 0.5616 -0.8054 -0.1895 0.6613 0.5746 -0.4822 -0.4972 -0.1455 -0.8553 33.800 25.519 120.214 A 316 ALA A 28 ALA~? A 317 GLY A 26 GLY~? A 318 ASP A 27 ASP~? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 1.11 A TRANSFORM -0.2999 0.4797 -0.8246 0.6182 -0.5606 -0.5509 0.7266 0.6750 0.1284 83.571 -67.130 -182.144 A 420 ALA A 71 ALA~? B 182 GLY A 64 GLY.? B 183 GLY A 63 GLY.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 3 3 RMSD = 1.13 A TRANSFORM -0.8691 -0.4945 0.0098 -0.4945 0.8683 -0.0384 -0.0104 0.0382 0.9992 47.172 -15.876 -72.284 141 ASP A 93 ASP.? 166 GLY A 2 GLY.? 169 GLU A 122 GLU^? ULMNm 3 1hto_c00 GLUTAMINE SYNTHETASE user 5 3 RMSD = 1.16 A TRANSFORM -0.6943 0.5102 -0.5077 -0.0202 -0.7189 -0.6949 0.7194 0.4722 -0.5094 139.207 120.846 130.933 A 50 ASP A 19 ASP.? A 327 GLU A 113 GLU^? A 339 ARG A 115 ARG^? ULMNm 3 1f6d_c02 UDP-N-ACETYLGLUCOSAMINE 2-EPIMERASE user 1 3 RMSD = 1.16 A TRANSFORM -0.8320 0.3955 0.3890 0.5547 0.5948 0.5818 0.0012 -0.6998 0.7143 48.178 -32.406 58.357 C 95 ASP A 4 ASP^? C 117 GLU A 124 GLU.? C 131 GLU A 6 GLU^? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 2 3 RMSD = 1.17 A TRANSFORM 0.4888 0.8297 -0.2695 -0.5987 0.5437 0.5881 -0.6345 0.1261 -0.7626 -11.153 -7.134 141.373 A 241 ASP A 91 ASP^? A 265 GLU A 36 GLU.? A 369 ASP A 68 ASP~? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 7 3 RMSD = 1.19 A TRANSFORM -0.1146 0.0846 -0.9898 -0.9103 -0.4079 0.0705 0.3978 -0.9091 -0.1238 174.187 143.482 151.376 D 141 GLY A 142 GLY~? D 144 GLU A 143 GLU~? D 164 GLU A 140 GLU~? ULMNm 3 1uk7_c00 3.07.01.0009 user 1 3 RMSD = 1.23 A TRANSFORM -0.7020 0.7122 -0.0039 -0.6737 -0.6658 -0.3206 0.2309 0.2224 -0.9472 18.923 99.718 57.249 A 103 ALA A 43 ALA^? A 224 ASP A 19 ASP.? A 252 HIS A 55 HIS^? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 7 3 RMSD = 1.23 A TRANSFORM 0.1829 -0.2609 0.9479 0.8977 0.4375 -0.0528 0.4010 -0.8605 -0.3142 -26.072 39.956 168.680 C 141 GLY A 142 GLY~? C 144 GLU A 143 GLU~? C 164 GLU A 140 GLU~? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 7 3 RMSD = 1.23 A TRANSFORM 0.7972 -0.5592 0.2275 -0.5992 -0.6868 0.4115 0.0738 0.4644 0.8825 9.646 95.676 59.441 F 141 GLY A 142 GLY~? F 144 GLU A 143 GLU~? F 164 GLU A 140 GLU~? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 1 3 RMSD = 1.24 A TRANSFORM -0.2348 0.9346 0.2674 0.6440 -0.0565 0.7630 -0.7281 -0.3513 0.5885 -53.818 -75.306 -9.076 14 ASP A 62 ASP^? 16 HIS A 9 HIS.? 67 GLY A 2 GLY.? ULMNm 3 1lio_c01 ADENOSINE KINASE user 2 3 RMSD = 1.25 A TRANSFORM -0.9596 0.1513 0.2373 0.1888 -0.2794 0.9414 -0.2087 -0.9482 -0.2395 28.601 -37.135 100.570 A 316 ALA A 92 ALA.? A 317 GLY A 94 GLY.? A 318 ASP A 93 ASP.? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 7 3 RMSD = 1.26 A TRANSFORM 0.0691 0.8942 0.4424 -0.8236 -0.1991 0.5310 -0.5629 0.4011 -0.7227 17.083 92.260 251.553 E 141 GLY A 142 GLY~? E 144 GLU A 143 GLU~? E 164 GLU A 140 GLU~? ULMNm 3 1ddj_c15 PLASMINOGEN user 1 3 RMSD = 1.28 A TRANSFORM -0.9341 -0.3263 0.1450 -0.1640 0.0312 -0.9860 -0.3172 0.9448 0.0827 -9.620 115.958 31.529 D 603 HIS A 55 HIS^? D 646 ASP A 19 ASP.? D 739 GLY A 83 GLY~? ULMNm 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 RMSD = 1.28 A TRANSFORM 0.2099 -0.9669 0.1451 -0.0955 -0.1680 -0.9812 -0.9731 -0.1921 0.1276 53.132 19.628 -70.590 A 183 GLY A 164 GLY.? B 419 GLY A 163 GLY~? B 420 ALA A 160 ALA~? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 7 3 RMSD = 1.29 A TRANSFORM -0.7665 0.6351 -0.0952 0.6134 0.6800 -0.4017 0.1904 0.3663 0.9108 120.590 87.967 50.772 B 141 GLY A 142 GLY~? B 144 GLU A 143 GLU~? B 164 GLU A 140 GLU~? ULMNm 3 1lij_c01 ADENOSINE KINASE user 1 3 RMSD = 1.33 A TRANSFORM -0.2898 0.4574 0.8407 0.7511 -0.4357 0.4960 -0.5932 -0.7752 0.2173 88.565 -35.160 12.994 A 316 ALA A 28 ALA~? A 317 GLY A 26 GLY~? A 318 ASP A 27 ASP~? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 6 3 RMSD = 1.33 A TRANSFORM 0.3295 -0.6553 0.6797 -0.5965 -0.7025 -0.3882 -0.7319 0.2775 0.6224 60.216 175.079 100.503 D 141 GLY A 126 GLY.? D 144 GLU A 125 GLU.? D 164 GLU A 127 GLU.? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 6 3 RMSD = 1.33 A TRANSFORM -0.4706 0.6890 -0.5512 0.6137 0.7045 0.3566 -0.6340 0.1705 0.7543 76.542 11.677 95.898 C 141 GLY A 126 GLY.? C 144 GLU A 125 GLU.? C 164 GLU A 127 GLU.? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 6 3 RMSD = 1.34 A TRANSFORM 0.4507 -0.7044 -0.5483 0.8842 0.2678 0.3827 0.1228 0.6573 -0.7436 152.119 33.906 164.363 B 141 GLY A 126 GLY.? B 144 GLU A 125 GLU.? B 164 GLU A 127 GLU.? ULMNm 3 1xqw_c00 PROLINE IMINOPEPTIDASE user 1 3 RMSD = 1.34 A TRANSFORM 0.7851 0.1280 -0.6060 0.5511 -0.5908 0.5893 0.2825 0.7966 0.5344 35.231 -46.846 -57.429 A 105 ALA A 43 ALA^? A 244 ASP A 19 ASP.? A 271 HIS A 55 HIS^? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 6 3 RMSD = 1.34 A TRANSFORM -0.4157 0.7987 0.4351 -0.8865 -0.2489 -0.3902 0.2033 0.5479 -0.8115 -4.654 150.764 175.200 F 141 GLY A 126 GLY.? F 144 GLU A 125 GLU.? F 164 GLU A 127 GLU.? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 6 3 RMSD = 1.36 A TRANSFORM 0.7263 0.2865 -0.6248 -0.5139 -0.3774 -0.7704 0.4565 -0.8806 0.1269 90.016 181.569 193.552 E 141 GLY A 126 GLY.? E 144 GLU A 125 GLU.? E 164 GLU A 127 GLU.? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.36 A TRANSFORM -0.7084 -0.5713 -0.4145 0.3944 -0.8074 0.4389 0.5854 -0.1475 -0.7972 78.125 -54.050 -10.561 B 250 ALA A 28 ALA~? B 251 GLY A 26 GLY~? B 252 ASP A 27 ASP~? ULMNm 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 3 3 RMSD = 1.37 A TRANSFORM 0.2604 -0.9222 0.2860 -0.5276 -0.3840 -0.7577 -0.8086 -0.0464 0.5866 7.736 137.301 22.479 179 ASP A 66 ASP~? 214 ASP A 19 ASP.? 289 ASP A 73 ASP~? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.38 A TRANSFORM -0.8079 -0.3404 0.4810 0.0814 -0.8729 -0.4810 -0.5836 0.3495 -0.7330 99.277 196.409 207.646 B 141 GLY A 2 GLY.? B 144 GLU A 125 GLU.? B 164 GLU A 127 GLU.? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.38 A TRANSFORM 0.3443 -0.7250 0.5965 -0.2630 0.5355 0.8026 0.9013 0.4332 0.0063 70.282 -0.431 77.523 D 141 GLY A 2 GLY.? D 144 GLU A 125 GLU.? D 164 GLU A 127 GLU.? ULMNm 3 1fr8_c00 BETA 1,4 GALACTOSYLTRANSFERASE user 1 3 RMSD = 1.39 A TRANSFORM -0.2084 -0.1458 0.9671 0.6647 -0.7465 0.0307 -0.7174 -0.6492 -0.2525 -33.654 10.372 75.971 A 317 GLU A 37 GLU.? A 319 ASP A 73 ASP~? A 359 ARG A 76 ARG~? ULMNm 3 1qho_c07 ALPHA-AMYLASE user 2 3 RMSD = 1.39 A TRANSFORM 0.7585 0.2364 0.6073 0.4855 -0.8267 -0.2844 -0.4348 -0.5106 0.7418 -35.370 101.203 15.534 A 228 ASP A 66 ASP~? A 260 ASP A 77 ASP~? A 329 ASP A 62 ASP^? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.39 A TRANSFORM -0.7786 -0.3131 -0.5438 -0.5808 0.6877 0.4357 -0.2375 -0.6550 0.7173 174.833 29.781 161.388 E 141 GLY A 2 GLY.? E 144 GLU A 125 GLU.? E 164 GLU A 127 GLU.? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.39 A TRANSFORM -0.1751 0.8010 -0.5724 0.2345 -0.5307 -0.8144 0.9562 0.2769 0.0949 60.389 187.234 80.761 C 141 GLY A 2 GLY.? C 144 GLU A 125 GLU.? C 164 GLU A 127 GLU.? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.39 A TRANSFORM 0.7162 0.3587 -0.5987 -0.0645 0.8882 0.4550 -0.6949 0.2872 -0.6592 57.613 -10.800 212.097 F 141 GLY A 2 GLY.? F 144 GLU A 125 GLU.? F 164 GLU A 127 GLU.? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.39 A TRANSFORM -0.7090 0.6673 -0.2282 0.5836 0.7368 0.3413 -0.3959 -0.1088 0.9118 56.465 -71.289 -52.154 A 250 ALA A 28 ALA~? A 251 GLY A 26 GLY~? A 252 ASP A 27 ASP~? ULMNm 3 1lij_c01 ADENOSINE KINASE user 2 3 RMSD = 1.40 A TRANSFORM 0.7518 0.5991 -0.2757 -0.4875 0.7864 0.3794 -0.4441 0.1508 -0.8832 121.668 -27.055 63.644 A 316 ALA A 92 ALA.? A 317 GLY A 94 GLY.? A 318 ASP A 93 ASP.? ULMNm 3 1cwy_c00 AMYLOMALTASE user 4 3 RMSD = 1.45 A TRANSFORM 0.6845 0.7227 0.0957 0.3108 -0.1705 -0.9351 0.6595 -0.6698 0.3413 -93.103 22.606 -16.083 A 293 ASP A 73 ASP~? A 340 GLU A 37 GLU.? A 395 ASP A 66 ASP~? ULMNm 3 1bqc_c01 BETA-MANNANASE user 2 3 RMSD = 1.45 A TRANSFORM 0.2143 0.5530 0.8051 -0.2820 -0.7542 0.5930 -0.9352 0.3542 0.0057 -57.415 18.516 65.625 A 50 ARG A 112 ARG^? A 128 GLU A 140 GLU~? A 225 GLU A 144 GLU~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 2 3 RMSD = 1.46 A TRANSFORM -0.4068 -0.5052 -0.7611 -0.7243 0.6861 -0.0683 -0.5567 -0.5235 0.6450 99.997 -26.322 -59.716 B 250 ALA A 92 ALA.? B 251 GLY A 94 GLY.? B 252 ASP A 93 ASP.? ULMNm 3 1fr8_c01 BETA 1,4 GALACTOSYLTRANSFERASE user 2 3 RMSD = 1.47 A TRANSFORM 0.7869 0.5954 0.1623 0.5086 -0.7747 0.3757 -0.3494 0.2131 0.9124 -44.507 -3.787 -9.546 B 317 GLU A 37 GLU.? B 319 ASP A 73 ASP~? B 359 ARG A 76 ARG~? ULMNm 3 1fob_c00 BETA-1,4-GALACTANASE user 2 3 RMSD = 1.47 A TRANSFORM 0.2071 0.9597 0.1898 0.0094 -0.1959 0.9806 -0.9783 0.2013 0.0496 -48.319 -39.831 162.514 A 45 ARG A 112 ARG^? A 136 GLU A 140 GLU~? A 246 GLU A 144 GLU~? ULMNm 3 1cb7_c07 GLUTAMATE MUTASE user 1 3 RMSD = 1.48 A TRANSFORM 0.4949 -0.6309 -0.5976 -0.8132 -0.5787 -0.0624 0.3064 -0.5168 0.7994 50.785 76.985 23.211 C 14 ASP A 19 ASP.? C 16 HIS A 55 HIS^? C 67 GLY A 22 GLY.? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 4 3 RMSD = 1.48 A TRANSFORM -0.3663 0.2166 0.9049 0.7680 0.6195 0.1626 0.5254 -0.7545 0.3933 -3.195 -39.909 -5.490 A 67 ASP A 77 ASP~? A 68 ALA A 75 ALA~? A 72 LEU A 13 LEU^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 2 3 RMSD = 1.49 A TRANSFORM -0.3816 -0.9072 0.1771 -0.3105 0.3062 0.8999 0.8706 -0.2884 0.3986 26.615 -57.652 -35.039 141 ASP A 88 ASP^? 166 GLY A 94 GLY.? 169 GLU A 6 GLU^? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 2 3 RMSD = 1.49 A TRANSFORM 0.7598 -0.5676 -0.3171 0.5744 0.3575 0.7364 0.3046 0.7416 -0.5977 52.286 -96.626 1.931 A 250 ALA A 92 ALA.? A 251 GLY A 94 GLY.? A 252 ASP A 93 ASP.? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 8 3 RMSD = 1.49 A TRANSFORM 0.6474 0.2119 -0.7321 -0.6196 -0.4130 -0.6675 0.4438 -0.8857 0.1361 101.980 189.110 125.912 D 141 GLY A 142 GLY~? D 144 GLU A 143 GLU~? D 164 GLU A 144 GLU~? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 8 3 RMSD = 1.50 A TRANSFORM 0.4097 -0.5870 0.6983 -0.6384 -0.7313 -0.2402 -0.6516 0.3474 0.6743 -6.006 155.232 124.730 F 141 GLY A 142 GLY~? F 144 GLU A 143 GLU~? F 164 GLU A 144 GLU~? ULMNm 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 1.50 A TRANSFORM -0.6501 0.4966 0.5751 0.7131 0.6600 0.2362 0.2623 -0.5637 0.7833 -4.481 -161.061 -171.809 A 183 GLY A 163 GLY~? B 419 GLY A 164 GLY.? B 420 ALA A 159 ALA~? ULMNm 3 1cb7_c06 GLUTAMATE MUTASE user 1 3 RMSD = 1.50 A TRANSFORM 0.5471 -0.7243 -0.4197 0.8133 0.5785 0.0619 -0.1979 0.3752 -0.9056 37.447 -45.737 149.484 A 14 ASP A 19 ASP.? A 16 HIS A 55 HIS^? A 67 GLY A 22 GLY.?