*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 3 3 RMSD = 0.90 A TRANSFORM 0.8549 -0.1883 -0.4834 0.5185 0.3424 0.7835 0.0180 -0.9205 0.3904 80.197 -176.742 -108.305 A 183 GLY A 122 GLY~? B 419 GLY A 125 GLY~? B 420 ALA A 127 ALA~? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 4 3 RMSD = 1.01 A TRANSFORM 0.9841 -0.1629 -0.0704 0.0534 0.6498 -0.7582 0.1693 0.7424 0.6482 37.244 -56.823 -250.827 A 420 ALA A 163 ALA~? B 182 GLY A 35 GLY.? B 183 GLY A 34 GLY~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 1 3 RMSD = 1.07 A TRANSFORM -0.9771 0.0041 0.2129 -0.2124 0.0523 -0.9758 -0.0152 -0.9986 -0.0502 14.371 125.492 108.418 A 316 ALA A 127 ALA~? A 317 GLY A 125 GLY~? A 318 ASP A 129 ASP~? ULMNm 3 1f6d_c02 UDP-N-ACETYLGLUCOSAMINE 2-EPIMERASE user 1 3 RMSD = 1.07 A TRANSFORM -0.6778 -0.3151 -0.6643 0.7024 -0.0105 -0.7118 0.2174 -0.9490 0.2284 145.543 130.220 83.658 C 95 ASP A 143 ASP.? C 117 GLU A 147 GLU~? C 131 GLU A 141 GLU.? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 1.08 A TRANSFORM -0.6474 0.3590 0.6723 0.1237 -0.8209 0.5575 0.7520 0.4441 0.4871 -48.307 -122.722 -221.548 A 420 ALA A 103 ALA~? B 182 GLY A 109 GLY~? B 183 GLY A 30 GLY~? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 19 3 RMSD = 1.12 A TRANSFORM 0.2328 0.7611 -0.6054 -0.9125 0.3862 0.1346 0.3363 0.5211 0.7845 47.419 3.874 -23.897 A 241 ASP A 140 ASP.? A 265 GLU A 146 GLU~? A 369 ASP A 97 ASP~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 1 3 RMSD = 1.19 A TRANSFORM 0.9235 0.2578 -0.2841 0.0273 0.6946 0.7189 0.3827 -0.6717 0.6344 63.156 -103.035 -26.196 A 67 ASP A 97 ASP~? A 68 ALA A 96 ALA~? A 72 LEU A 99 LEU~? ULMNm 3 1qrz_c21 PLASMINOGEN user 1 3 RMSD = 1.19 A TRANSFORM 0.4775 0.7539 0.4512 0.8626 -0.3048 -0.4037 -0.1668 0.5820 -0.7959 -139.510 46.167 68.050 B 603 HIS A 5 HIS~? B 646 ASP A 7 ASP~? B 739 GLY A 18 GLY.? ULMNm 3 1lij_c01 ADENOSINE KINASE user 1 3 RMSD = 1.19 A TRANSFORM 0.7510 0.6202 0.2268 -0.6579 0.7319 0.1772 -0.0561 -0.2823 0.9577 74.543 -38.950 -87.414 A 316 ALA A 127 ALA~? A 317 GLY A 125 GLY~? A 318 ASP A 129 ASP~? ULMNm 3 2dbt_c02 CHITINASE C user 1 3 RMSD = 1.19 A TRANSFORM 0.5602 0.6172 0.5525 -0.8255 0.3609 0.4338 0.0684 -0.6991 0.7117 -33.844 -33.477 -35.367 C 147 GLU A 141 GLU.? C 156 GLU A 147 GLU~? C 194 ASN A 91 ASN~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.21 A TRANSFORM -0.0272 -0.8281 0.5599 -0.6834 0.4241 0.5942 -0.7295 -0.3665 -0.5775 8.351 -104.602 42.610 B 250 ALA A 127 ALA~? B 251 GLY A 125 GLY~? B 252 ASP A 129 ASP~? ULMNm 3 1qrz_c20 PLASMINOGEN user 1 3 RMSD = 1.21 A TRANSFORM 0.4296 0.7768 0.4604 0.8763 -0.2354 -0.4203 -0.2181 0.5840 -0.7819 -112.983 45.124 105.545 A 603 HIS A 5 HIS~? A 646 ASP A 7 ASP~? A 739 GLY A 18 GLY.? ULMNm 3 1qrz_c22 PLASMINOGEN user 1 3 RMSD = 1.22 A TRANSFORM 0.3350 -0.3252 0.8843 -0.8690 0.2560 0.4234 -0.3641 -0.9103 -0.1969 -94.096 -52.683 74.356 C 603 HIS A 5 HIS~? C 646 ASP A 7 ASP~? C 739 GLY A 18 GLY.? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.23 A TRANSFORM 0.8649 -0.4448 -0.2328 0.2044 0.7355 -0.6459 0.4585 0.5110 0.7271 70.019 4.706 -116.839 A 250 ALA A 127 ALA~? A 251 GLY A 125 GLY~? A 252 ASP A 129 ASP~? ULMNm 3 2dbt_c00 CHITINASE C user 1 3 RMSD = 1.23 A TRANSFORM -0.5548 -0.8085 -0.1963 0.8291 -0.5177 -0.2112 0.0691 -0.2799 0.9575 119.238 61.189 -80.121 A 147 GLU A 141 GLU.? A 156 GLU A 147 GLU~? A 194 ASN A 91 ASN~? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 23 3 RMSD = 1.24 A TRANSFORM -0.4386 0.2667 -0.8582 -0.6246 -0.7770 0.0778 -0.6461 0.5702 0.5074 91.439 51.497 6.428 A 241 ASP A 142 ASP.? A 265 GLU A 150 GLU~? A 369 ASP A 140 ASP.? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 13 3 RMSD = 1.27 A TRANSFORM 0.7873 0.5573 -0.2635 -0.1949 0.6306 0.7513 0.5849 -0.5402 0.6051 14.066 -71.893 32.195 A 241 ASP A 97 ASP~? A 265 GLU A 150 GLU~? A 369 ASP A 89 ASP.? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 1 3 RMSD = 1.27 A TRANSFORM 0.3077 0.8115 -0.4968 0.1894 0.4595 0.8678 0.9324 -0.3611 -0.0123 44.130 -74.708 -36.954 D 465 GLY A 18 GLY.? D 501 ASP A 38 ASP.? E 367 TYR A 139 TYR.? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 5 3 RMSD = 1.27 A TRANSFORM 0.4177 -0.7414 -0.5253 0.7469 -0.0491 0.6631 -0.5174 -0.6693 0.5332 133.094 14.394 10.984 229 ASP A 140 ASP.? 264 GLU A 90 GLU.? 328 ASP A 97 ASP~? ULMNm 3 2dbt_c01 CHITINASE C user 1 3 RMSD = 1.27 A TRANSFORM 0.4998 0.8468 -0.1822 0.7421 -0.5271 -0.4141 -0.4467 0.0718 -0.8918 38.058 129.268 103.768 B 147 GLU A 141 GLU.? B 156 GLU A 147 GLU~? B 194 ASN A 91 ASN~? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 16 3 RMSD = 1.31 A TRANSFORM 0.7830 0.4771 0.3991 -0.5679 0.2867 0.7715 0.2537 -0.8308 0.4955 -57.119 -58.458 57.972 A 241 ASP A 97 ASP~? A 265 GLU A 157 GLU~? A 369 ASP A 89 ASP.? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 15 3 RMSD = 1.34 A TRANSFORM 0.8025 0.5877 0.1030 -0.3599 0.3392 0.8691 0.4758 -0.7346 0.4837 -28.343 -72.817 54.272 A 241 ASP A 97 ASP~? A 265 GLU A 154 GLU~? A 369 ASP A 89 ASP.? ULMNm 3 3gxq_d00 DNA BINDING PROTEIN/DNA user 1 3 RMSD = 1.35 A TRANSFORM 0.2919 -0.9195 0.2631 -0.9319 -0.3354 -0.1384 0.2155 -0.2048 -0.9548 -7.638 45.599 123.242 A 18 SER A 4 SER~? A 20 HIS A 5 HIS~? A 22 LEU A 86 LEU.? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 21 3 RMSD = 1.36 A TRANSFORM 0.9399 -0.0992 0.3267 -0.2544 0.4347 0.8639 -0.2277 -0.8951 0.3833 -15.929 -74.059 73.830 A 241 ASP A 140 ASP.? A 265 GLU A 150 GLU~? A 369 ASP A 142 ASP.? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 20 3 RMSD = 1.38 A TRANSFORM 0.0810 0.9172 -0.3902 -0.9429 0.1974 0.2683 0.3231 0.3462 0.8808 17.232 -3.072 -27.303 A 241 ASP A 140 ASP.? A 265 GLU A 150 GLU~? A 369 ASP A 97 ASP~? ULMNm 3 1pnl_c00 PENICILLIN AMIDOHYDROLASE user 2 3 RMSD = 1.41 A TRANSFORM -0.9543 0.1393 -0.2646 -0.2987 -0.4066 0.8634 0.0127 0.9029 0.4296 41.761 -34.875 -58.229 B 1 SER A 100 SER~? B 69 ALA A 103 ALA~? B 241 ASN A 104 ASN~? ULMNm 3 1d6o_c00 FK506-BINDING PROTEIN user 1 3 RMSD = 1.42 A TRANSFORM -0.5802 -0.8136 0.0377 -0.7752 0.5658 0.2811 -0.2500 0.1338 -0.9590 100.758 -56.757 119.806 A 37 ASP A 51 ASP.? A 56 ILE A 17 ILE.? A 82 TYR A 55 TYR.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 RMSD = 1.42 A TRANSFORM -0.7866 0.2221 0.5761 0.1686 -0.8203 0.5465 0.5940 0.5270 0.6078 -70.296 -28.020 -113.282 141 ASP A 51 ASP.? 166 GLY A 58 GLY.? 169 GLU A 65 GLU~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 2 3 RMSD = 1.42 A TRANSFORM 0.6514 0.3687 -0.6632 0.3117 -0.9269 -0.2092 -0.6918 -0.0705 -0.7187 37.734 71.338 99.309 141 ASP A 76 ASP.? 166 GLY A 85 GLY.? 169 GLU A 23 GLU~? ULMNm 3 1d6o_c01 FK506-BINDING PROTEIN user 2 3 RMSD = 1.43 A TRANSFORM 0.6405 0.4804 0.5992 -0.7678 0.3822 0.5142 0.0180 -0.7894 0.6136 -36.348 -91.529 -48.493 B 37 ASP A 129 ASP~? B 56 ILE A 162 ILE~? B 82 TYR A 158 TYR~? ULMNm 3 1d6o_c01 FK506-BINDING PROTEIN user 1 3 RMSD = 1.44 A TRANSFORM -0.5755 -0.8171 0.0328 -0.7713 0.5557 0.3103 -0.2718 0.1533 -0.9501 104.375 -76.595 90.360 B 37 ASP A 51 ASP.? B 56 ILE A 17 ILE.? B 82 TYR A 55 TYR.? ULMNm 3 1mas_c00 INOSINE-URIDINE NUCLEOSIDE N-RIBOHYDuser 2 3 RMSD = 1.45 A TRANSFORM -0.6038 0.7453 0.2827 -0.3887 -0.5849 0.7118 0.6959 0.3199 0.6429 -59.950 -71.322 -86.489 A 10 ASP A 101 ASP~? A 168 ASN A 20 ASN~? A 241 HIS A 25 HIS~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 6 3 RMSD = 1.45 A TRANSFORM -0.1914 -0.9356 0.2967 0.4147 0.1969 0.8884 -0.8896 0.2931 0.3503 17.576 -109.602 -44.098 141 ASP A 101 ASP~? 166 GLY A 111 GLY~? 169 GLU A 120 GLU~? ULMNm 3 1d6o_c00 FK506-BINDING PROTEIN user 2 3 RMSD = 1.46 A TRANSFORM 0.6342 0.4802 0.6060 -0.7722 0.3534 0.5281 0.0394 -0.8028 0.5949 -39.883 -74.798 -18.222 A 37 ASP A 129 ASP~? A 56 ILE A 162 ILE~? A 82 TYR A 158 TYR~? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 3 3 RMSD = 1.46 A TRANSFORM 0.4332 0.1623 -0.8865 -0.8369 -0.2926 -0.4626 -0.3345 0.9424 0.0091 117.577 -26.002 -188.679 A 420 ALA A 127 ALA~? B 182 GLY A 122 GLY~? B 183 GLY A 125 GLY~? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 14 3 RMSD = 1.47 A TRANSFORM 0.2683 -0.9235 -0.2742 0.3414 -0.1751 0.9235 -0.9008 -0.3414 0.2683 78.980 -59.890 67.718 A 241 ASP A 97 ASP~? A 265 GLU A 150 GLU~? A 369 ASP A 140 ASP.? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 RMSD = 1.48 A TRANSFORM 0.6605 -0.1356 -0.7385 0.6807 -0.3070 0.6652 -0.3169 -0.9420 -0.1105 123.089 -173.666 -56.260 A 420 ALA A 113 ALA~? B 182 GLY A 30 GLY~? B 183 GLY A 109 GLY~? ULMNm 3 1oyg_c00 LEVANSUCRASE user 1 3 RMSD = 1.48 A TRANSFORM 0.5222 -0.7381 0.4272 -0.3932 -0.6529 -0.6474 0.7568 0.1700 -0.6312 38.991 142.401 66.355 A 86 ASP A 133 ASP~? A 247 ASP A 129 ASP~? A 342 GLU A 126 GLU~? ULMNm 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 12 3 RMSD = 1.49 A TRANSFORM 0.6098 -0.6945 -0.3818 -0.2222 -0.6123 0.7588 -0.7607 -0.3779 -0.5277 69.046 7.394 109.110 179 ASP A 97 ASP~? 227 GLU A 147 GLU~? 289 ASP A 89 ASP.? ULMNm 3 1un1_c01 XYLOGLUCAN ENDOTRANSGLYCOSYLASE user 3 3 RMSD = 1.49 A TRANSFORM -0.8324 -0.3427 0.4356 0.5539 -0.5409 0.6329 0.0187 0.7681 0.6401 -10.527 135.228 -87.379 B 85 GLU A 145 GLU~? B 87 ASP A 143 ASP.? B 89 GLU A 141 GLU.? ULMNm 3 1mas_c01 INOSINE-URIDINE NUCLEOSIDE N-RIBOHYDuser 2 3 RMSD = 1.49 A TRANSFORM -0.1698 -0.8340 0.5250 -0.6855 0.4827 0.5451 -0.7080 -0.2673 -0.6536 -39.236 -84.846 144.929 B 10 ASP A 101 ASP~? B 168 ASN A 20 ASN~? B 241 HIS A 25 HIS~? ULMNm 3 1un1_c00 XYLOGLUCAN ENDOTRANSGLYCOSYLASE user 4 3 RMSD = 1.50 A TRANSFORM -0.9966 -0.0790 0.0224 0.0616 -0.5395 0.8397 -0.0543 0.8383 0.5426 24.275 74.291 -92.271 A 85 GLU A 145 GLU~? A 87 ASP A 143 ASP.? A 89 GLU A 141 GLU.?