*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1k82_c03 FORMAMIDOPYRIMIDINE-DNA GLYCOSYLASE user 2 3 RMSD = 0.87 A TRANSFORM 0.0918 -0.0905 0.9917 0.3672 0.9288 0.0508 0.9256 -0.3594 -0.1185 -74.164 -16.186 -20.444 D 2 GLU A 66 GLU^? D 56 LYS A 38 LYS^? D 258 ARG B 3 ARG^? ULMNm 3 1k82_c01 FORMAMIDOPYRIMIDINE-DNA GLYCOSYLASE user 2 3 RMSD = 0.92 A TRANSFORM 0.1574 -0.0516 0.9862 -0.4191 -0.9077 0.0194 -0.8942 0.4164 0.1645 -75.663 9.803 19.131 B 2 GLU A 66 GLU^? B 56 LYS A 38 LYS^? B 258 ARG B 3 ARG^? ULMNm 3 1k82_c00 FORMAMIDOPYRIMIDINE-DNA GLYCOSYLASE user 2 3 RMSD = 0.94 A TRANSFORM -0.1136 0.0529 -0.9921 0.3739 0.9275 0.0066 -0.9205 0.3702 0.1252 115.165 -12.054 23.490 A 2 GLU A 66 GLU^? A 56 LYS A 38 LYS^? A 258 ARG B 3 ARG^? ULMNm 3 1k82_c02 FORMAMIDOPYRIMIDINE-DNA GLYCOSYLASE user 2 3 RMSD = 0.94 A TRANSFORM -0.1334 0.1010 -0.9859 -0.4102 -0.9112 -0.0378 0.9022 -0.3994 -0.1630 115.357 15.071 -15.777 C 2 GLU A 66 GLU^? C 56 LYS A 38 LYS^? C 258 ARG B 3 ARG^? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 3 3 RMSD = 0.99 A TRANSFORM 0.5984 0.1412 -0.7886 0.3247 -0.9426 0.0776 0.7324 0.3025 0.6100 55.313 11.604 85.975 C 70 ALA B 21 ALA~? C 126 LEU B 24 LEU~? C 158 GLU B 28 GLU~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 3 3 RMSD = 0.99 A TRANSFORM -0.0020 -0.8803 0.4744 -0.6307 0.3693 0.6825 0.7760 0.2979 0.5559 -44.870 -51.932 90.874 B 70 ALA B 21 ALA~? B 126 LEU B 24 LEU~? B 158 GLU B 28 GLU~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 3 3 RMSD = 1.00 A TRANSFORM -0.5118 0.7713 0.3784 0.3819 0.5988 -0.7040 0.7695 0.2158 0.6010 -51.129 65.628 87.797 A 70 ALA B 21 ALA~? A 126 LEU B 24 LEU~? A 158 GLU B 28 GLU~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 1 3 RMSD = 1.04 A TRANSFORM -0.9951 -0.0893 0.0426 -0.0529 0.8446 0.5327 0.0836 -0.5279 0.8452 6.036 -42.036 82.601 C 70 ALA A 21 ALA~? C 126 LEU A 24 LEU~? C 158 GLU A 28 GLU~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 1 3 RMSD = 1.04 A TRANSFORM 0.4536 0.7643 0.4583 0.8911 -0.3807 -0.2470 0.0143 -0.5204 0.8538 -66.774 17.186 83.385 B 70 ALA A 21 ALA~? B 126 LEU A 24 LEU~? B 158 GLU A 28 GLU~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 1 3 RMSD = 1.06 A TRANSFORM 0.5464 -0.7327 -0.4058 -0.8353 -0.5118 -0.2006 0.0607 -0.4486 0.8917 19.327 49.325 78.610 A 70 ALA A 21 ALA~? A 126 LEU A 24 LEU~? A 158 GLU A 28 GLU~? ULMNm 3 1k82_c03 FORMAMIDOPYRIMIDINE-DNA GLYCOSYLASE user 4 3 RMSD = 1.08 A TRANSFORM 0.8067 -0.0199 0.5907 -0.2129 -0.9421 0.2590 -0.5513 0.3347 0.7642 -50.185 -4.968 -85.203 D 2 GLU B 66 GLU^? D 56 LYS B 38 LYS^? D 258 ARG A 3 ARG^? ULMNm 3 1k82_c01 FORMAMIDOPYRIMIDINE-DNA GLYCOSYLASE user 4 3 RMSD = 1.10 A TRANSFORM 0.7653 -0.0629 0.6406 0.2995 0.9157 -0.2679 0.5697 -0.3968 -0.7197 -54.105 4.133 85.524 B 2 GLU B 66 GLU^? B 56 LYS B 38 LYS^? B 258 ARG A 3 ARG^? ULMNm 3 1k82_c00 FORMAMIDOPYRIMIDINE-DNA GLYCOSYLASE user 3 3 RMSD = 1.11 A TRANSFORM -0.7932 0.0599 -0.6060 -0.2547 -0.9366 0.2407 0.5531 -0.3453 -0.7582 91.107 -2.515 88.573 A 2 GLU B 66 GLU^? A 56 LYS B 38 LYS^? A 258 ARG A 3 ARG^? ULMNm 3 1k82_c02 FORMAMIDOPYRIMIDINE-DNA GLYCOSYLASE user 4 3 RMSD = 1.15 A TRANSFORM -0.7812 0.0133 -0.6242 0.2468 0.9249 -0.2892 -0.5734 0.3800 0.7258 94.069 6.987 -82.031 C 2 GLU B 66 GLU^? C 56 LYS B 38 LYS^? C 258 ARG A 3 ARG^? ULMNm 3 1xs1_c08 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 2 3 RMSD = 1.23 A TRANSFORM 0.1297 -0.9206 0.3684 0.1288 -0.3527 -0.9268 -0.9831 -0.1677 -0.0729 -25.318 62.810 20.935 C 124 ALA A 45 ALA^? C 126 ARG A 42 ARG^? C 138 GLU A 46 GLU^? ULMNm 3 1bhg_c04 BETA-GLUCURONIDASE user 1 3 RMSD = 1.24 A TRANSFORM -0.0533 -0.5549 0.8302 -0.7646 -0.5121 -0.3913 -0.6423 0.6556 0.3970 26.439 126.459 51.160 A 382 ARG A 3 ARG^? A 451 GLU B 66 GLU^? A 540 GLU B 40 GLU^? ULMNm 3 1cb7_c07 GLUTAMATE MUTASE user 2 3 RMSD = 1.24 A TRANSFORM -0.8731 0.4145 0.2567 0.3430 0.1480 0.9276 -0.3465 -0.8979 0.2714 -13.258 -20.830 95.100 C 14 ASP B 62 ASP.? C 16 HIS B 60 HIS.? C 67 GLY B 96 GLY.? ULMNm 3 1cb7_c06 GLUTAMATE MUTASE user 2 3 RMSD = 1.25 A TRANSFORM -0.9256 0.2218 0.3068 -0.3428 -0.1476 -0.9277 0.1605 0.9639 -0.2126 -10.401 52.037 65.915 A 14 ASP B 62 ASP.? A 16 HIS B 60 HIS.? A 67 GLY B 96 GLY.? ULMNm 3 1xva_c03 GLYCINE N-METHYLTRANSFERASE user 1 3 RMSD = 1.25 A TRANSFORM -0.9510 -0.0475 0.3054 0.2526 -0.6889 0.6795 -0.1781 -0.7233 -0.6671 85.830 14.375 55.625 B 137 GLY A 65 GLY^? B 175 ARG A 42 ARG^? B 242 TYR A 27 TYR~? ULMNm 3 1gal_c00 GLUCOSE OXIDASE (E.C.1.1.3.4) user 3 3 RMSD = 1.26 A TRANSFORM 0.6618 0.2878 -0.6923 -0.3901 0.9207 0.0098 -0.6402 -0.2636 -0.7216 86.713 -16.208 116.351 412 GLU B 22 GLU~? 516 HIS B 26 HIS~? 559 HIS B 90 HIS~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 2 3 RMSD = 1.26 A TRANSFORM -0.2521 0.1262 0.9594 -0.5514 -0.8335 -0.0353 -0.7952 0.5380 -0.2797 -16.277 9.963 32.975 A 67 ASP A 62 ASP.? A 68 ALA A 63 ALA^? A 72 LEU A 43 LEU^? ULMNm 3 1xs1_c07 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 2 3 RMSD = 1.27 A TRANSFORM -0.2280 0.7648 0.6026 -0.0458 -0.6267 0.7779 -0.9726 -0.1498 -0.1779 -47.549 -49.302 28.008 B 124 ALA A 45 ALA^? B 126 ARG A 42 ARG^? B 138 GLU A 46 GLU^? ULMNm 3 1xs1_c11 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 2 3 RMSD = 1.28 A TRANSFORM 0.0940 0.1349 -0.9864 0.2438 -0.9637 -0.1085 0.9653 0.2303 0.1235 60.467 13.378 57.691 F 124 ALA A 45 ALA^? F 126 ARG A 42 ARG^? F 138 GLU A 46 GLU^? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 4 3 RMSD = 1.28 A TRANSFORM 0.9225 -0.2867 0.2585 0.3557 0.8915 -0.2807 0.1499 -0.3509 -0.9243 32.957 1.036 85.431 A 67 ASP B 62 ASP.? A 68 ALA B 63 ALA^? A 72 LEU B 43 LEU^? ULMNm 3 1ehy_c03 SOLUBLE EPOXIDE HYDROLASE user 1 3 RMSD = 1.29 A TRANSFORM 0.2264 -0.9497 -0.2166 0.7078 0.3131 -0.6332 -0.6691 0.0100 -0.7431 54.022 63.353 126.899 D 107 ASP A 62 ASP.? D 246 ASP A 57 ASP.? D 275 HIS A 60 HIS.? ULMNm 3 1ehy_c01 SOLUBLE EPOXIDE HYDROLASE user 1 3 RMSD = 1.29 A TRANSFORM -0.5308 0.0805 -0.8437 -0.7742 -0.4510 0.4441 0.3448 -0.8889 -0.3017 87.068 25.428 103.995 B 107 ASP A 62 ASP.? B 246 ASP A 57 ASP.? B 275 HIS A 60 HIS.? ULMNm 3 1gal_c00 GLUCOSE OXIDASE (E.C.1.1.3.4) user 1 3 RMSD = 1.30 A TRANSFORM -0.9771 -0.1835 0.1082 0.0808 -0.7893 -0.6087 -0.1971 0.5860 -0.7860 44.017 48.182 109.589 412 GLU A 22 GLU~? 516 HIS A 26 HIS~? 559 HIS A 90 HIS~? ULMNm 3 1bhg_c04 BETA-GLUCURONIDASE user 2 3 RMSD = 1.30 A TRANSFORM 0.8072 0.3457 0.4784 0.1276 0.6891 -0.7133 0.5763 -0.6369 -0.5121 35.828 129.763 126.738 A 382 ARG B 3 ARG^? A 451 GLU A 66 GLU^? A 540 GLU A 40 GLU^? ULMNm 3 1xs1_c10 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 2 3 RMSD = 1.31 A TRANSFORM 0.1310 -0.9093 0.3950 -0.1165 0.3815 0.9170 0.9845 0.1662 0.0559 -27.393 -59.613 62.545 E 124 ALA A 45 ALA^? E 126 ARG A 42 ARG^? E 138 GLU A 46 GLU^? ULMNm 3 1cb7_c07 GLUTAMATE MUTASE user 1 3 RMSD = 1.31 A TRANSFORM 0.8621 -0.3066 -0.4034 0.2456 -0.4436 0.8619 0.4432 0.8422 0.3071 38.734 -10.481 67.594 C 14 ASP A 62 ASP.? C 16 HIS A 60 HIS.? C 67 GLY A 96 GLY.? ULMNm 3 1cb7_c06 GLUTAMATE MUTASE user 1 3 RMSD = 1.32 A TRANSFORM 0.9346 -0.1274 -0.3320 -0.2456 0.4442 -0.8616 -0.2572 -0.8868 -0.3838 34.856 41.670 103.554 A 14 ASP A 62 ASP.? A 16 HIS A 60 HIS.? A 67 GLY A 96 GLY.? ULMNm 3 1xs1_c09 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 2 3 RMSD = 1.32 A TRANSFORM -0.2186 0.7727 0.5960 0.0306 0.6159 -0.7873 0.9753 0.1539 0.1583 -47.062 52.458 55.688 D 124 ALA A 45 ALA^? D 126 ARG A 42 ARG^? D 138 GLU A 46 GLU^? ULMNm 3 1luc_c00 BACTERIAL LUCIFERASE user 1 3 RMSD = 1.34 A TRANSFORM 0.5018 0.7808 0.3723 -0.8319 0.5535 -0.0395 0.2369 0.2900 -0.9273 -3.823 -13.538 93.106 A 44 HIS B 90 HIS~? A 45 HIS B 26 HIS~? A 261 PHE B 19 PHE~? ULMNm 3 1ddj_c15 PLASMINOGEN user 2 3 RMSD = 1.35 A TRANSFORM 0.1425 -0.5196 0.8424 0.0273 -0.8487 -0.5281 -0.9894 -0.0982 0.1068 -79.356 70.640 30.870 D 603 HIS A 60 HIS.? D 646 ASP A 62 ASP.? D 739 GLY A 13 GLY.? ULMNm 3 1ni4_c01 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 5 3 RMSD = 1.35 A TRANSFORM -0.5193 0.3828 -0.7641 -0.3298 -0.9146 -0.2340 0.7884 -0.1305 -0.6011 67.158 25.383 117.005 A 263 HIS B 31 HIS~? D 59 GLU B 66 GLU^? D 128 HIS B 37 HIS.? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 2 3 RMSD = 1.37 A TRANSFORM 0.5352 -0.6748 -0.5082 -0.0259 0.5882 -0.8083 -0.8443 -0.4458 -0.2973 46.787 87.753 98.882 A 241 ASP A 62 ASP.? A 265 GLU A 28 GLU~? A 369 ASP A 16 ASP~? ULMNm 3 1cns_c00 CHITINASE user 3 3 RMSD = 1.38 A TRANSFORM -0.2399 -0.2311 0.9429 -0.3425 0.9289 0.1405 0.9084 0.2893 0.3020 -84.662 -30.533 33.314 A 67 GLU B 22 GLU~? A 89 GLU B 17 GLU~? A 120 SER B 15 SER~? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 2 3 RMSD = 1.38 A TRANSFORM -0.7631 0.4828 -0.4297 0.3513 -0.2483 -0.9027 0.5426 0.8398 -0.0199 38.893 52.687 -11.625 14 ASP A 32 ASP.? 16 HIS A 31 HIS~? 67 GLY A 96 GLY.? ULMNm 3 1ddj_c15 PLASMINOGEN user 3 3 RMSD = 1.40 A TRANSFORM -0.1071 0.9797 0.1696 -0.4388 0.1065 -0.8923 0.8922 0.1700 -0.4185 -68.946 109.414 70.032 D 603 HIS B 31 HIS~? D 646 ASP B 32 ASP.? D 739 GLY B 91 GLY~? ULMNm 3 1cns_c00 CHITINASE user 1 3 RMSD = 1.40 A TRANSFORM 0.9522 0.1831 0.2446 0.2362 -0.9490 -0.2087 -0.1939 -0.2565 0.9469 -43.546 15.728 4.867 A 67 GLU A 22 GLU~? A 89 GLU A 17 GLU~? A 120 SER A 15 SER~? ULMNm 3 1ni4_c00 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 6 3 RMSD = 1.40 A TRANSFORM 0.7945 -0.2029 0.5723 -0.5075 0.2955 0.8094 0.3333 0.9336 -0.1318 -36.963 -58.105 78.710 B 59 GLU B 66 GLU^? B 128 HIS B 37 HIS.? C 263 HIS B 31 HIS~? ULMNm 3 1bqc_c01 BETA-MANNANASE user 4 3 RMSD = 1.40 A TRANSFORM -0.0021 0.9233 0.3841 -0.0459 -0.3838 0.9223 -0.9989 0.0157 -0.0432 -5.416 -39.661 28.344 A 50 ARG B 42 ARG^? A 128 GLU B 66 GLU^? A 225 GLU B 40 GLU^? ULMNm 3 1bhg_c05 BETA-GLUCURONIDASE user 2 3 RMSD = 1.41 A TRANSFORM -0.2110 -0.6482 0.7316 0.6871 0.4340 0.5827 0.6952 -0.6257 -0.3538 40.820 -17.169 144.867 B 382 ARG A 3 ARG^? B 451 GLU B 66 GLU^? B 540 GLU B 40 GLU^? ULMNm 3 1ni4_c01 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 2 3 RMSD = 1.41 A TRANSFORM -0.3836 -0.1662 -0.9084 0.0655 0.9763 -0.2063 -0.9212 0.1386 0.3636 83.584 -2.534 53.212 A 263 HIS A 31 HIS~? D 59 GLU A 66 GLU^? D 128 HIS A 37 HIS.? ULMNm 3 1ddj_c15 PLASMINOGEN user 1 3 RMSD = 1.42 A TRANSFORM 0.0455 -0.9640 -0.2619 -0.5343 0.1981 -0.8218 -0.8441 -0.1774 0.5060 -13.353 104.907 17.213 D 603 HIS A 31 HIS~? D 646 ASP A 32 ASP.? D 739 GLY A 91 GLY~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 RMSD = 1.43 A TRANSFORM -0.4471 -0.7133 -0.5397 -0.7719 0.0028 0.6358 0.4520 -0.7009 0.5518 49.039 -36.543 -15.343 141 ASP A 57 ASP.? 166 GLY B 91 GLY~? 169 GLU B 22 GLU~? ULMNm 3 1bhg_c05 BETA-GLUCURONIDASE user 3 3 RMSD = 1.44 A TRANSFORM 0.8196 0.4746 0.3209 0.0819 -0.6514 0.7543 -0.5670 0.5919 0.5728 50.719 -12.605 69.195 B 382 ARG B 3 ARG^? B 451 GLU A 66 GLU^? B 540 GLU A 40 GLU^? ULMNm 3 1ni4_c00 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 3 3 RMSD = 1.46 A TRANSFORM 0.0567 -0.0086 0.9984 0.9261 -0.3732 -0.0558 -0.3730 -0.9277 0.0132 -66.022 5.051 95.422 B 59 GLU A 66 GLU^? B 128 HIS A 37 HIS.? C 263 HIS A 31 HIS~? ULMNm 3 1ddj_c14 PLASMINOGEN user 1 3 RMSD = 1.47 A TRANSFORM 0.8083 0.5569 0.1912 -0.2741 0.0684 0.9593 -0.5211 0.8278 -0.2079 -10.270 -8.684 85.348 C 603 HIS A 31 HIS~? C 646 ASP A 32 ASP.? C 739 GLY A 91 GLY~? ULMNm 3 1fob_c00 BETA-1,4-GALACTANASE user 3 3 RMSD = 1.48 A TRANSFORM -0.7124 0.1594 0.6835 -0.4937 0.5784 -0.6494 0.4988 0.8000 0.3333 -40.394 77.176 71.778 A 45 ARG B 3 ARG^? A 136 GLU B 40 GLU^? A 246 GLU B 66 GLU^? ULMNm 3 1fob_c00 BETA-1,4-GALACTANASE user 1 3 RMSD = 1.48 A TRANSFORM 0.9418 -0.2116 -0.2613 -0.3255 -0.3789 -0.8663 -0.0843 -0.9009 0.4257 23.567 103.779 89.763 A 45 ARG A 3 ARG^? A 136 GLU A 40 GLU^? A 246 GLU A 66 GLU^?