*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 4 2jxr_c06 LIGAND CP-081282 user 3 4 RMSD = 1.46 A TRANSFORM 0.5794 0.2688 0.7694 0.3184 -0.9437 0.0899 -0.7503 -0.1929 0.6324 -21.667 30.077 46.082 A 32 ASP C 100 ASP~? A 33 THR C 101 THR~? A 215 ASP C 102 ASP~? A 218 THR B 88 THR.? ULMNm 4 2jxr_c06 LIGAND CP-081282 user 1 4 RMSD = 1.47 A TRANSFORM -0.3045 0.4734 0.8265 0.6863 0.7108 -0.1543 0.6606 -0.5202 0.5413 -14.556 53.762 34.838 A 32 ASP A 100 ASP~? A 33 THR A 101 THR~? A 215 ASP A 102 ASP~? A 218 THR C 88 THR.? ULMNm 4 2jxr_c06 LIGAND CP-081282 user 2 4 RMSD = 1.49 A TRANSFORM -0.0188 -0.3957 0.9182 -0.9708 0.2267 0.0778 0.2390 0.8899 0.3885 -28.131 54.175 58.286 A 32 ASP B 100 ASP~? A 33 THR B 101 THR~? A 215 ASP B 102 ASP~? A 218 THR A 88 THR.? ULMNm 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 3 3 RMSD = 1.03 A TRANSFORM -0.9836 0.0376 -0.1765 0.1756 0.4256 -0.8877 -0.0418 0.9041 0.4252 66.840 22.604 25.026 199 ASP C 26 ASP~? 218 GLU A 90 GLU.? 329 ASP C 20 ASP~? ULMNm 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 3 3 RMSD = 1.05 A TRANSFORM -0.8954 0.4251 -0.1329 -0.0070 -0.3119 -0.9501 0.4453 0.8497 -0.2822 67.476 21.732 7.810 199 ASP C 26 ASP~? 242 GLU B 53 GLU.? 329 ASP C 20 ASP~? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 2 3 RMSD = 1.06 A TRANSFORM 0.5887 -0.2957 -0.7523 0.4016 -0.7007 0.5897 0.7015 0.6493 0.2938 12.266 10.965 -10.723 A 465 GLY B 99 GLY^? A 501 ASP A 26 ASP~? B 367 TYR C 103 TYR~? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 2 3 RMSD = 1.06 A TRANSFORM 0.0870 0.3891 -0.9171 -0.7283 0.6530 0.2079 -0.6797 -0.6498 -0.3402 38.381 63.077 -54.718 D 465 GLY B 99 GLY^? D 501 ASP A 26 ASP~? E 367 TYR C 103 TYR~? ULMNm 3 1euu_c00 SIALIDASE user 4 3 RMSD = 1.08 A TRANSFORM 0.8004 0.3837 -0.4606 -0.5137 0.8351 -0.1968 -0.3092 -0.3942 -0.8655 -6.115 -12.760 15.749 92 ASP C 20 ASP~? 260 GLU C 59 GLU^? 370 TYR C 86 TYR.? ULMNm 3 1sll_c00 SIALIDASE L user 4 3 RMSD = 1.09 A TRANSFORM -0.0430 0.6262 -0.7785 -0.8702 0.3593 0.3371 -0.4908 -0.6919 -0.5295 -4.042 19.111 32.295 318 ASP C 20 ASP~? 595 GLU C 59 GLU^? 713 TYR C 86 TYR.? ULMNm 3 1n2t_c02 L-CYSTEINE-CYSTINE LYASE C-DES user 1 3 RMSD = 1.10 A TRANSFORM 0.9844 -0.0911 -0.1504 0.0936 -0.4526 0.8868 0.1489 0.8871 0.4370 -44.630 -9.337 -15.238 A 114 HIS A 83 HIS~? A 197 ASP A 26 ASP~? A 223 ALA A 33 ALA~? ULMNm 3 1n2t_c03 L-CYSTEINE-CYSTINE LYASE C-DES user 1 3 RMSD = 1.10 A TRANSFORM -0.9825 0.1052 0.1540 -0.1154 0.3056 -0.9451 0.1465 0.9463 0.2881 -49.094 5.082 -14.001 B 114 HIS A 83 HIS~? B 197 ASP A 26 ASP~? B 223 ALA A 33 ALA~? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 3 3 RMSD = 1.12 A TRANSFORM -0.2208 0.5810 -0.7834 0.5291 0.7461 0.4042 -0.8193 0.3253 0.4722 29.379 32.093 -8.211 A 465 GLY C 99 GLY^? A 501 ASP B 26 ASP~? B 367 TYR A 103 TYR~? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 3 3 RMSD = 1.12 A TRANSFORM -0.5863 -0.2026 -0.7843 -0.1390 -0.9287 0.3439 0.7980 -0.3107 -0.5163 32.757 36.439 -56.795 D 465 GLY C 99 GLY^? D 501 ASP B 26 ASP~? E 367 TYR A 103 TYR~? ULMNm 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 1 3 RMSD = 1.33 A TRANSFORM 0.0621 -0.9969 -0.0477 0.0444 0.0505 -0.9977 -0.9971 -0.0598 -0.0474 41.636 26.791 0.544 199 ASP A 26 ASP~? 242 GLU C 53 GLU.? 329 ASP A 20 ASP~? ULMNm 3 1pfq_c02 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 1 3 RMSD = 1.33 A TRANSFORM 0.4108 -0.9039 -0.1193 0.2431 -0.0175 0.9698 0.8787 0.4274 -0.2125 -9.739 8.787 28.336 A 630 SER A 82 SER~? A 709 ASP A 26 ASP~? A 740 HIS A 83 HIS~? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 2 3 RMSD = 1.33 A TRANSFORM -0.2564 -0.9375 0.2352 0.9403 -0.2982 -0.1639 -0.2238 -0.1791 -0.9580 15.008 16.858 72.529 A 241 ASP C 26 ASP~? A 265 GLU C 90 GLU.? A 369 ASP C 20 ASP~? ULMNm 3 1dj1_c00 CYTOCHROME C PEROXIDASE user 1 3 RMSD = 1.34 A TRANSFORM -0.6222 -0.7818 0.0399 0.6831 -0.5671 -0.4603 -0.3825 0.2591 -0.8869 -7.174 23.315 1.806 A 48 ALA A 37 ALA.? A 52 HIS A 72 HIS~? A 191 TRP A 106 TRP~? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 1 3 RMSD = 1.36 A TRANSFORM 0.2877 -0.4971 -0.8186 0.9273 0.3582 0.1084 -0.2393 0.7903 -0.5640 24.087 50.764 -35.018 D 465 GLY A 99 GLY^? D 501 ASP C 26 ASP~? E 367 TYR B 103 TYR~? ULMNm 3 1euu_c00 SIALIDASE user 3 3 RMSD = 1.37 A TRANSFORM -0.0965 -0.9796 -0.1765 0.9836 -0.0667 -0.1677 -0.1525 0.1898 -0.9699 -21.936 -34.372 22.993 92 ASP B 20 ASP~? 260 GLU B 59 GLU^? 370 TYR B 86 TYR.? ULMNm 3 3hde_o02 LYSOZYME user 8 3 RMSD = 1.38 A TRANSFORM -0.9653 -0.2471 0.0845 -0.2310 0.9589 0.1651 0.1218 -0.1398 0.9827 34.316 1.740 -7.309 C 35 GLU C 78 GLU~? C 44 ASP A 102 ASP~? C 50 THR A 101 THR~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 6 3 RMSD = 1.38 A TRANSFORM 0.5042 -0.6341 0.5862 0.3393 0.7697 0.5408 0.7941 0.0738 -0.6032 -3.219 4.252 133.581 C 70 ALA B 46 ALA^? C 126 LEU C 42 LEU^? C 158 GLU C 21 GLU~? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 1 3 RMSD = 1.38 A TRANSFORM -0.5530 -0.5522 -0.6239 -0.8014 0.1478 0.5796 0.2278 -0.8205 0.5243 13.842 29.458 -30.712 A 465 GLY A 99 GLY^? A 501 ASP C 26 ASP~? B 367 TYR B 103 TYR~? ULMNm 3 1n2t_c02 L-CYSTEINE-CYSTINE LYASE C-DES user 3 3 RMSD = 1.38 A TRANSFORM -0.4503 0.8807 -0.1468 0.5570 0.4056 0.7247 -0.6978 -0.2446 0.6732 -22.804 1.491 -27.999 A 114 HIS B 83 HIS~? A 197 ASP B 26 ASP~? A 223 ALA B 33 ALA~? ULMNm 3 3hde_o00 LYSOZYME user 9 3 RMSD = 1.39 A TRANSFORM 0.9417 0.3318 -0.0565 -0.0994 0.1137 -0.9885 0.3216 -0.9365 -0.1401 -14.131 -15.343 -25.347 A 35 GLU C 78 GLU~? A 44 ASP A 102 ASP~? A 50 THR A 101 THR~? ULMNm 3 1dj1_c00 CYTOCHROME C PEROXIDASE user 2 3 RMSD = 1.39 A TRANSFORM 0.9759 -0.1639 -0.1441 0.0500 0.8108 -0.5831 -0.2124 -0.5619 -0.7995 -5.863 47.388 -11.339 A 48 ALA B 37 ALA.? A 52 HIS B 72 HIS~? A 191 TRP B 106 TRP~? ULMNm 3 1n2t_c03 L-CYSTEINE-CYSTINE LYASE C-DES user 3 3 RMSD = 1.39 A TRANSFORM 0.4388 -0.8852 0.1546 -0.4392 -0.3614 -0.8225 -0.7839 -0.2930 0.5474 -71.128 -3.578 -27.998 B 114 HIS B 83 HIS~? B 197 ASP B 26 ASP~? B 223 ALA B 33 ALA~? ULMNm 3 1pfq_c03 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 1 3 RMSD = 1.40 A TRANSFORM -0.4865 0.7103 -0.5088 -0.2094 0.4705 0.8572 -0.8482 -0.5235 0.0802 5.233 12.185 15.365 B 630 SER A 82 SER~? B 709 ASP A 26 ASP~? B 740 HIS A 83 HIS~? ULMNm 3 3hde_o01 LYSOZYME user 8 3 RMSD = 1.40 A TRANSFORM -0.3687 0.8452 -0.3870 0.4593 0.5276 0.7146 -0.8082 -0.0857 0.5827 -2.236 -24.299 -17.705 B 35 GLU C 78 GLU~? B 44 ASP A 102 ASP~? B 50 THR A 101 THR~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 6 3 RMSD = 1.40 A TRANSFORM -0.4699 -0.3421 -0.8137 0.2932 -0.9300 0.2216 0.8326 0.1344 -0.5373 -11.536 19.942 133.522 A 70 ALA B 46 ALA^? A 126 LEU C 42 LEU^? A 158 GLU C 21 GLU~? ULMNm 3 1pnl_c00 PENICILLIN AMIDOHYDROLASE user 1 3 RMSD = 1.40 A TRANSFORM 0.4886 0.4648 0.7384 0.3304 -0.8818 0.3365 -0.8075 -0.0796 0.5845 3.926 43.031 32.741 B 1 SER A 105 SER~? B 69 ALA A 109 ALA~? B 241 ASN A 108 ASN~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 5 3 RMSD = 1.40 A TRANSFORM 0.0556 0.9850 0.1635 -0.5464 0.1671 -0.8207 0.8357 0.0437 -0.5475 -20.905 5.304 134.337 B 70 ALA B 46 ALA^? B 126 LEU C 42 LEU^? B 158 GLU C 21 GLU~? ULMNm 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 1 3 RMSD = 1.42 A TRANSFORM 0.4038 -0.8960 -0.1849 -0.6370 -0.1303 -0.7597 -0.6566 -0.4246 0.6234 46.049 17.818 7.258 199 ASP A 26 ASP~? 218 GLU B 90 GLU.? 329 ASP A 20 ASP~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 3 3 RMSD = 1.42 A TRANSFORM -0.7963 0.0407 0.6035 0.5001 -0.5170 0.6947 -0.3403 -0.8550 -0.3914 13.786 -16.061 124.884 C 70 ALA A 46 ALA^? C 126 LEU B 42 LEU^? C 158 GLU B 21 GLU~? ULMNm 3 1pfq_c02 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 2 3 RMSD = 1.43 A TRANSFORM 0.4636 0.8489 -0.2538 0.0652 0.2530 0.9653 -0.8836 0.4640 -0.0620 18.665 12.453 36.465 A 630 SER B 82 SER~? A 709 ASP B 26 ASP~? A 740 HIS B 83 HIS~? ULMNm 3 3hde_o02 LYSOZYME user 2 3 RMSD = 1.43 A TRANSFORM 0.6959 -0.7178 0.0217 -0.6634 -0.6311 0.4019 0.2748 0.2941 0.9154 18.795 -19.964 -1.542 C 35 GLU A 78 GLU~? C 44 ASP B 102 ASP~? C 50 THR B 101 THR~? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 2 3 RMSD = 1.44 A TRANSFORM -0.2079 -0.0365 0.9775 -0.9313 0.3130 -0.1864 0.2991 0.9491 0.0991 61.563 98.234 43.440 229 ASP C 26 ASP~? 264 GLU C 90 GLU.? 328 ASP C 20 ASP~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 3 3 RMSD = 1.45 A TRANSFORM -0.0665 0.3471 -0.9355 -0.9496 0.2658 0.1661 -0.3063 -0.8994 -0.3120 -3.259 44.507 123.259 A 70 ALA A 46 ALA^? A 126 LEU B 42 LEU^? A 158 GLU B 21 GLU~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 2 3 RMSD = 1.46 A TRANSFORM 0.8252 -0.4834 0.2922 0.4120 0.1611 -0.8968 -0.3864 -0.8604 -0.3322 -47.154 0.174 126.470 B 70 ALA A 46 ALA^? B 126 LEU B 42 LEU^? B 158 GLU B 21 GLU~? ULMNm 3 1pfq_c03 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 2 3 RMSD = 1.46 A TRANSFORM -0.3869 -0.8285 -0.4048 -0.0867 -0.4044 0.9105 0.9180 -0.3874 -0.0847 -19.401 -3.860 10.268 B 630 SER B 82 SER~? B 709 ASP B 26 ASP~? B 740 HIS B 83 HIS~? ULMNm 3 1n2t_c03 L-CYSTEINE-CYSTINE LYASE C-DES user 2 3 RMSD = 1.46 A TRANSFORM -0.7491 0.6257 0.2175 0.2698 0.5881 -0.7625 0.6050 0.5125 0.6094 -40.032 14.924 -9.710 B 114 HIS A 83 HIS~? B 197 ASP A 26 ASP~? B 223 ALA A 37 ALA.? ULMNm 3 1n2t_c02 L-CYSTEINE-CYSTINE LYASE C-DES user 2 3 RMSD = 1.46 A TRANSFORM 0.7583 -0.6173 -0.2095 -0.3599 -0.6644 0.6550 0.5436 0.4213 0.7260 -53.617 -19.760 -12.438 A 114 HIS A 83 HIS~? A 197 ASP A 26 ASP~? A 223 ALA A 37 ALA.? ULMNm 3 3hde_o01 LYSOZYME user 2 3 RMSD = 1.46 A TRANSFORM -0.6209 -0.7670 -0.1620 -0.5139 0.2422 0.8229 0.5919 -0.5942 0.5446 -25.178 -23.646 -32.469 B 35 GLU A 78 GLU~? B 44 ASP B 102 ASP~? B 50 THR B 101 THR~? ULMNm 3 3hde_o00 LYSOZYME user 2 3 RMSD = 1.47 A TRANSFORM -0.7488 0.6622 0.0280 -0.2672 -0.2630 -0.9271 0.6065 0.7017 -0.3738 -0.556 -20.227 -2.145 A 35 GLU A 78 GLU~? A 44 ASP B 102 ASP~? A 50 THR B 101 THR~? ULMNm 3 1sll_c00 SIALIDASE L user 3 3 RMSD = 1.48 A TRANSFORM 0.5623 -0.5084 -0.6522 0.7611 0.6266 0.1677 -0.3234 0.5907 -0.7393 -24.701 14.615 50.339 318 ASP B 20 ASP~? 595 GLU B 59 GLU^? 713 TYR B 86 TYR.? ULMNm 3 1pym_c00 PHOSPHOENOLPYRUVATE MUTASE user 1 3 RMSD = 1.49 A TRANSFORM 0.5617 0.5809 0.5891 -0.7196 0.6944 0.0015 0.4082 0.4248 -0.8080 44.941 77.189 96.422 A 48 LEU B 104 LEU~? A 58 ASP B 100 ASP~? A 120 LYS A 81 LYS~? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 1 3 RMSD = 1.49 A TRANSFORM 0.4318 -0.0459 0.9008 0.1317 -0.9848 -0.1133 -0.8923 -0.1676 0.4192 59.835 73.436 33.154 229 ASP A 26 ASP~? 264 GLU A 90 GLU.? 328 ASP A 20 ASP~?