*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1a41_c01 TOPOISOMERASE I user 5 3 RMSD = 0.92 A TRANSFORM -0.9339 0.3012 -0.1928 -0.3174 -0.9465 0.0587 0.1648 -0.1160 -0.9795 -4.337 85.892 9.504 223 ARG A 85 ARG^? 265 HIS A 29 HIS.? 274 TYR A 81 TYR^? ULMNm 3 1s3i_c00 10-FORMYLTETRAHYDROFOLATE DEHYDROGENuser 1 3 RMSD = 0.94 A TRANSFORM -0.2405 0.2175 0.9460 -0.8856 -0.4481 -0.1221 -0.3974 0.8671 -0.3004 -53.437 104.425 21.125 A 104 ILE A 146 ILE~? A 106 HIS A 130 HIS~? A 142 ASP A 123 ASP.? ULMNm 3 1ddj_c15 PLASMINOGEN user 1 3 RMSD = 1.05 A TRANSFORM -0.4728 0.8584 0.1991 0.6820 0.4995 -0.5341 0.5580 0.1167 0.8216 -48.811 23.011 -5.456 D 603 HIS A 130 HIS~? D 646 ASP A 123 ASP.? D 739 GLY A 137 GLY.? ULMNm 3 2ag0_c09 BENZALDEHYDE LYASE user 3 3 RMSD = 1.10 A TRANSFORM -0.0500 0.6371 -0.7691 -0.6767 -0.5880 -0.4431 0.7345 -0.4983 -0.4606 59.147 30.849 24.060 A 29 HIS A 106 HIS~? A 50 GLU A 172 GLU~? A 113 GLN A 110 GLN~? ULMNm 3 2ag0_c10 BENZALDEHYDE LYASE user 3 3 RMSD = 1.11 A TRANSFORM -0.1784 0.6900 -0.7014 0.6754 0.6043 0.4227 -0.7156 0.3984 0.5738 59.061 -36.101 11.201 C 29 HIS A 106 HIS~? C 50 GLU A 172 GLU~? C 113 GLN A 110 GLN~? ULMNm 3 2ag0_c04 BENZALDEHYDE LYASE user 3 3 RMSD = 1.12 A TRANSFORM 0.0467 -0.6979 0.7147 0.5422 -0.5832 -0.6049 -0.8389 -0.4158 -0.3512 55.672 11.654 48.982 B 29 HIS A 106 HIS~? B 50 GLU A 172 GLU~? B 113 GLN A 110 GLN~? ULMNm 3 2ag0_c08 BENZALDEHYDE LYASE user 3 3 RMSD = 1.12 A TRANSFORM 0.0467 -0.6979 0.7147 0.5422 -0.5832 -0.6049 -0.8389 -0.4158 -0.3512 55.672 11.654 48.982 B 29 HIS A 106 HIS~? B 50 GLU A 172 GLU~? B 113 GLN A 110 GLN~? ULMNm 3 2ag0_c11 BENZALDEHYDE LYASE user 3 3 RMSD = 1.12 A TRANSFORM 0.1858 -0.6328 0.7517 -0.5372 0.5752 0.6169 0.8227 0.5184 0.2331 50.946 -17.264 -12.500 D 29 HIS A 106 HIS~? D 50 GLU A 172 GLU~? D 113 GLN A 110 GLN~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 RMSD = 1.12 A TRANSFORM 0.5680 -0.0056 0.8230 0.5750 -0.7127 -0.4017 -0.5889 -0.7014 0.4016 -18.580 36.549 23.134 141 ASP A 111 ASP~? 166 GLY A 73 GLY.? 169 GLU A 76 GLU.? ULMNm 3 1lci_c00 LUCIFERASE user 1 3 RMSD = 1.13 A TRANSFORM 0.5735 -0.5895 0.5688 0.3849 0.8069 0.4482 0.7231 0.0381 -0.6896 13.996 51.716 25.934 218 ARG A 88 ARG~? 245 HIS A 29 HIS.? 343 THR A 93 THR~? ULMNm 3 3hde_o00 LYSOZYME user 1 3 RMSD = 1.13 A TRANSFORM -0.6292 -0.2869 -0.7224 -0.7521 0.4593 0.4727 -0.1961 -0.8407 0.5048 24.803 -23.679 6.872 A 35 GLU A 55 GLU^? A 44 ASP A 23 ASP^? A 50 THR A 93 THR~? ULMNm 3 2ag0_c09 BENZALDEHYDE LYASE user 2 3 RMSD = 1.19 A TRANSFORM 0.4135 0.6321 -0.6554 -0.4078 -0.5150 -0.7540 0.8141 -0.5790 -0.0448 51.249 30.245 18.495 A 29 HIS A 106 HIS~? A 50 GLU A 112 GLU~? A 113 GLN A 110 GLN~? ULMNm 3 2ag0_c10 BENZALDEHYDE LYASE user 2 3 RMSD = 1.20 A TRANSFORM 0.2735 0.6997 -0.6600 0.4179 0.5316 0.7367 -0.8663 0.4774 0.1470 52.074 -35.717 17.963 C 29 HIS A 106 HIS~? C 50 GLU A 112 GLU~? C 113 GLN A 110 GLN~? ULMNm 3 1fr8_c00 BETA 1,4 GALACTOSYLTRANSFERASE user 2 3 RMSD = 1.21 A TRANSFORM -0.8045 -0.5788 0.1332 -0.5153 0.7917 0.3281 0.2954 -0.1953 0.9352 46.049 -23.521 -9.098 A 317 GLU A 112 GLU~? A 319 ASP A 160 ASP~? A 359 ARG A 164 ARG~? ULMNm 3 2ag0_c11 BENZALDEHYDE LYASE user 2 3 RMSD = 1.21 A TRANSFORM -0.2887 -0.6427 0.7097 -0.7179 0.6357 0.2836 0.6334 0.4276 0.6449 58.246 -11.124 -14.096 D 29 HIS A 106 HIS~? D 50 GLU A 112 GLU~? D 113 GLN A 110 GLN~? ULMNm 3 2ag0_c04 BENZALDEHYDE LYASE user 2 3 RMSD = 1.21 A TRANSFORM -0.3955 -0.6923 0.6036 0.7151 -0.6445 -0.2706 -0.5764 -0.3246 -0.7500 63.225 5.629 49.374 B 29 HIS A 106 HIS~? B 50 GLU A 112 GLU~? B 113 GLN A 110 GLN~? ULMNm 3 2ag0_c08 BENZALDEHYDE LYASE user 2 3 RMSD = 1.21 A TRANSFORM -0.3955 -0.6923 0.6036 0.7151 -0.6445 -0.2706 -0.5764 -0.3246 -0.7500 63.225 5.629 49.374 B 29 HIS A 106 HIS~? B 50 GLU A 112 GLU~? B 113 GLN A 110 GLN~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 3 3 RMSD = 1.22 A TRANSFORM 0.1908 0.1020 0.9763 -0.9417 -0.2617 0.2113 -0.2770 0.9598 -0.0461 33.142 35.616 -14.027 A 67 ASP A 23 ASP^? A 68 ALA A 96 ALA~? A 72 LEU A 100 LEU~? ULMNm 3 1bp2_c00 PHOSPHOLIPASE A2 (E.C.3.1.1.4) (PHOSuser 1 3 RMSD = 1.22 A TRANSFORM -0.0513 -0.6232 0.7803 -0.9376 -0.2390 -0.2526 -0.3439 0.7446 0.5721 7.399 53.946 -7.827 30 GLY A 139 GLY~? 48 HIS A 130 HIS~? 99 ASP A 123 ASP.? ULMNm 3 1a41_c01 TOPOISOMERASE I user 7 3 RMSD = 1.24 A TRANSFORM -0.2890 0.2358 -0.9278 -0.8432 0.3963 0.3633 -0.4533 -0.8873 -0.0843 22.073 44.103 50.035 223 ARG A 150 ARG~? 265 HIS A 130 HIS~? 274 TYR A 115 TYR~? ULMNm 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 15 3 RMSD = 1.27 A TRANSFORM -0.1898 0.4698 -0.8621 -0.9765 -0.1814 0.1162 0.1018 -0.8639 -0.4932 15.910 82.039 73.785 179 ASP A 117 ASP~? 227 GLU A 182 GLU~? 289 ASP A 111 ASP~? ULMNm 3 1f6d_c02 UDP-N-ACETYLGLUCOSAMINE 2-EPIMERASE user 1 3 RMSD = 1.29 A TRANSFORM -0.1577 -0.9849 -0.0707 -0.9874 0.1564 0.0241 0.0127 -0.0737 0.9972 100.988 75.484 68.175 C 95 ASP A 91 ASP~? C 117 GLU A 55 GLU^? C 131 GLU A 90 GLU~? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.29 A TRANSFORM 0.1842 -0.9195 -0.3473 -0.1214 0.3294 -0.9364 -0.9754 -0.2147 0.0510 88.925 109.160 156.228 C 141 GLY A 47 GLY^? C 144 GLU A 16 GLU.? C 164 GLU A 48 GLU.? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.30 A TRANSFORM -0.3658 0.8550 0.3675 0.1563 -0.3328 0.9299 -0.9175 -0.3976 0.0118 57.982 75.769 158.969 D 141 GLY A 47 GLY^? D 144 GLU A 16 GLU.? D 164 GLU A 48 GLU.? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.30 A TRANSFORM -0.6708 -0.4706 -0.5732 -0.0268 -0.7570 0.6529 0.7412 -0.4533 -0.4952 90.666 86.440 166.575 F 141 GLY A 47 GLY^? F 144 GLU A 16 GLU.? F 164 GLU A 48 GLU.? ULMNm 3 1a0j_c14 TRYPSIN user 1 3 RMSD = 1.31 A TRANSFORM -0.0482 -0.2275 -0.9726 0.7819 0.5973 -0.1785 -0.6215 0.7691 -0.1491 78.291 11.539 74.036 C 57 HIS A 130 HIS~? C 102 ASP A 123 ASP.? C 193 GLY A 139 GLY~? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.32 A TRANSFORM 0.8435 0.1531 -0.5148 0.4980 -0.5821 0.6428 0.2013 0.7986 0.5673 80.456 83.650 133.029 E 141 GLY A 47 GLY^? E 144 GLU A 16 GLU.? E 164 GLU A 48 GLU.? ULMNm 3 1a0j_c15 TRYPSIN user 1 3 RMSD = 1.33 A TRANSFORM -0.8978 0.3632 0.2491 0.1168 0.7417 -0.6605 0.4247 0.5639 0.7083 12.189 16.716 42.862 D 57 HIS A 130 HIS~? D 102 ASP A 123 ASP.? D 193 GLY A 139 GLY~? ULMNm 3 1t0u_c01 URIDINE PHOSPHORYLASE user 2 3 RMSD = 1.34 A TRANSFORM -0.0264 -0.5339 -0.8452 0.6984 0.5950 -0.3977 -0.7152 0.6008 -0.3572 20.505 -7.726 -31.610 B 8 HIS A 130 HIS~? B 80 GLU A 133 GLU~? B 223 ARG A 69 ARG^? ULMNm 3 1ds2_c02 PROTEINASE B (SGPB user 1 3 RMSD = 1.34 A TRANSFORM -0.2357 -0.4746 0.8480 -0.9498 0.2972 -0.0977 0.2057 0.8285 0.5208 -1.709 47.119 -21.365 E 57 HIS A 130 HIS~? E 102 ASP A 123 ASP.? E 193 GLY A 139 GLY~? ULMNm 3 1ddj_c14 PLASMINOGEN user 1 3 RMSD = 1.35 A TRANSFORM -0.4633 -0.7812 -0.4184 0.1391 -0.5304 0.8363 0.8752 -0.3293 -0.3544 64.131 38.913 59.308 C 603 HIS A 130 HIS~? C 646 ASP A 123 ASP.? C 739 GLY A 137 GLY.? ULMNm 3 1a0j_c12 TRYPSIN user 1 3 RMSD = 1.35 A TRANSFORM 0.2469 -0.9332 0.2610 -0.8927 -0.1143 0.4360 0.3771 0.3407 0.8613 34.703 51.040 10.356 A 57 HIS A 130 HIS~? A 102 ASP A 123 ASP.? A 193 GLY A 139 GLY~? ULMNm 3 2lpr_c02 ALPHA-LYTIC PROTEASE user 1 3 RMSD = 1.36 A TRANSFORM -0.5753 0.5567 -0.5993 -0.1542 0.6457 0.7479 -0.8033 -0.5226 0.2856 37.347 -12.401 43.737 A 57 HIS A 130 HIS~? A 102 ASP A 123 ASP.? A 193 GLY A 139 GLY~? ULMNm 3 1j53_c00 DNA POLYMERASE III, EPSILON CHAIN user 3 3 RMSD = 1.36 A TRANSFORM 0.8632 0.3988 0.3096 -0.4959 0.7849 0.3714 0.0948 0.4741 -0.8753 -44.440 -6.237 -8.712 A 14 GLU A 105 GLU~? A 61 GLU A 99 GLU~? A 162 HIS A 106 HIS~? ULMNm 3 1ddj_c12 PLASMINOGEN user 1 3 RMSD = 1.36 A TRANSFORM -0.4718 -0.8053 -0.3591 0.2064 -0.4968 0.8429 0.8572 -0.3236 -0.4006 65.434 36.856 -1.904 A 603 HIS A 130 HIS~? A 646 ASP A 123 ASP.? A 739 GLY A 137 GLY.? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.36 A TRANSFORM 0.7720 0.4125 0.4836 0.0217 0.7432 -0.6687 0.6352 -0.5268 -0.5648 57.058 99.420 168.821 B 141 GLY A 47 GLY^? B 144 GLU A 16 GLU.? B 164 GLU A 48 GLU.? ULMNm 3 1rtf_c06 TWO CHAIN TISSUE PLASMINOGEN ACTIVATuser 1 3 RMSD = 1.37 A TRANSFORM -0.6320 0.1871 -0.7520 -0.6312 0.4386 0.6397 -0.4495 -0.8790 0.1591 35.015 7.946 72.356 B 57 HIS A 130 HIS~? B 102 ASP A 123 ASP.? B 193 GLY A 139 GLY~? ULMNm 3 1a0j_c13 TRYPSIN user 1 3 RMSD = 1.37 A TRANSFORM 0.4208 0.8271 0.3726 0.3439 0.2346 -0.9092 0.8394 -0.5107 0.1858 -3.249 64.456 37.991 B 57 HIS A 130 HIS~? B 102 ASP A 123 ASP.? B 193 GLY A 139 GLY~? ULMNm 3 1qgx_c02 3',5'-ADENOSINE BISPHOSPHATASE user 1 3 RMSD = 1.38 A TRANSFORM 0.7136 -0.4396 -0.5454 0.0549 0.8113 -0.5821 -0.6984 -0.3855 -0.6031 6.238 -16.953 6.880 A 49 ASP A 23 ASP^? A 147 THR A 93 THR~? A 294 ASP A 31 ASP.? ULMNm 3 1ssx_c02 ALPHA-LYTIC PROTEASE user 1 3 RMSD = 1.39 A TRANSFORM -0.5816 0.5583 -0.5917 -0.1411 0.6471 0.7493 -0.8011 -0.5192 0.2976 37.233 -12.852 43.169 A 57 HIS A 130 HIS~? A 102 ASP A 123 ASP.? A 193 GLY A 139 GLY~? ULMNm 3 1c54_c00 RIBONUCLEASE SA user 5 3 RMSD = 1.39 A TRANSFORM -0.9209 0.3828 0.0733 -0.2049 -0.3154 -0.9266 0.3315 0.8683 -0.3689 -5.000 14.159 -50.577 A 54 GLU A 40 GLU.? A 65 ARG A 85 ARG^? A 85 HIS A 29 HIS.? ULMNm 3 1ldm_c01 M4 LACTATE DEHYDROGENASE user 2 3 RMSD = 1.39 A TRANSFORM -0.6046 -0.5800 -0.5460 0.0934 -0.7323 0.6745 0.7911 -0.3568 -0.4969 70.326 11.809 15.034 166 ASP A 123 ASP.? 169 ARG A 150 ARG~? 193 HIS A 130 HIS~? ULMNm 3 1emd_c01 MALATE DEHYDROGENASE (E.C.1.1.1.37) user 2 3 RMSD = 1.40 A TRANSFORM 0.6484 -0.3610 -0.6703 -0.4662 0.5077 -0.7245 -0.6018 -0.7822 -0.1609 27.512 23.174 60.857 150 ASP A 123 ASP.? 153 ARG A 150 ARG~? 177 HIS A 130 HIS~? ULMNm 3 4mdh_c02 CYTOPLASMIC MALATE DEHYDROGENASE (E.user 3 3 RMSD = 1.41 A TRANSFORM -0.3224 0.4790 0.8165 0.2146 -0.8031 0.5559 -0.9219 -0.3545 -0.1561 -17.978 26.384 93.787 A 158 ASP A 123 ASP.? A 161 ARG A 150 ARG~? A 186 HIS A 130 HIS~? ULMNm 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 3 3 RMSD = 1.42 A TRANSFORM -0.7422 0.3415 -0.5766 -0.6296 -0.0605 0.7746 -0.2296 -0.9379 -0.2599 77.258 21.468 57.170 199 ASP A 123 ASP.? 218 GLU A 99 GLU~? 329 ASP A 117 ASP~? ULMNm 3 1ddj_c13 PLASMINOGEN user 1 3 RMSD = 1.42 A TRANSFORM -0.4966 0.8678 -0.0199 0.7756 0.4333 -0.4590 0.3897 0.2434 0.8882 -38.608 22.619 -70.935 B 603 HIS A 130 HIS~? B 646 ASP A 123 ASP.? B 739 GLY A 137 GLY.? ULMNm 3 1esc_c00 ESTERASE user 1 3 RMSD = 1.43 A TRANSFORM -0.9909 -0.1235 -0.0535 -0.0468 -0.0567 0.9973 0.1263 -0.9907 -0.0504 74.422 -20.255 8.488 14 SER A 124 SER.? 280 TRP A 144 TRP~? 283 HIS A 130 HIS~? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 7 3 RMSD = 1.43 A TRANSFORM 0.9730 -0.0202 -0.2301 -0.2183 -0.4066 -0.8872 0.0756 -0.9134 0.4000 7.428 77.862 102.111 A 241 ASP A 111 ASP~? A 265 GLU A 159 GLU~? A 369 ASP A 117 ASP~? ULMNm 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 2 3 RMSD = 1.44 A TRANSFORM 0.0436 0.3423 -0.9386 -0.9832 -0.1519 -0.1011 0.1772 -0.9272 -0.3299 19.840 87.716 70.017 179 ASP A 117 ASP~? 214 ASP A 91 ASP~? 289 ASP A 111 ASP~? ULMNm 3 1b6t_c01 PHOSPHOPANTETHEINE ADENYLYLTRANSFERAuser 1 3 RMSD = 1.44 A TRANSFORM -0.5827 0.1782 0.7929 0.0916 0.9839 -0.1538 0.8075 0.0170 0.5896 -1.374 -5.604 -3.966 B 18 HIS A 130 HIS~? B 91 ARG A 150 ARG~? B 129 SER A 124 SER.? ULMNm 3 1k82_c02 FORMAMIDOPYRIMIDINE-DNA GLYCOSYLASE user 3 3 RMSD = 1.45 A TRANSFORM 0.1527 0.9689 0.1949 0.9838 -0.1302 -0.1236 0.0944 -0.2106 0.9730 10.233 -9.595 -12.307 C 2 GLU A 40 GLU.? C 56 LYS A 84 LYS^? C 258 ARG A 38 ARG~? ULMNm 3 1k82_c00 FORMAMIDOPYRIMIDINE-DNA GLYCOSYLASE user 3 3 RMSD = 1.45 A TRANSFORM 0.1854 0.9556 0.2292 -0.9812 0.1672 0.0968 -0.0542 0.2428 -0.9686 9.502 8.740 15.242 A 2 GLU A 40 GLU.? A 56 LYS A 84 LYS^? A 258 ARG A 38 ARG~? ULMNm 3 1k82_c01 FORMAMIDOPYRIMIDINE-DNA GLYCOSYLASE user 3 3 RMSD = 1.47 A TRANSFORM -0.1977 -0.9622 -0.1872 0.9737 -0.1707 -0.1508 -0.1131 0.2121 -0.9707 30.588 -9.383 16.213 B 2 GLU A 40 GLU.? B 56 LYS A 84 LYS^? B 258 ARG A 38 ARG~? ULMNm 3 1k82_c03 FORMAMIDOPYRIMIDINE-DNA GLYCOSYLASE user 3 3 RMSD = 1.49 A TRANSFORM -0.1530 -0.9595 -0.2367 -0.9874 0.1386 0.0764 0.0405 -0.2454 0.9686 30.567 8.730 -11.288 D 2 GLU A 40 GLU.? D 56 LYS A 84 LYS^? D 258 ARG A 38 ARG~? ULMNm 3 1rgq_c01 NS4A PEPTIDE user 1 3 RMSD = 1.50 A TRANSFORM -0.6383 -0.2733 0.7197 -0.2442 0.9585 0.1475 0.7301 0.0816 0.6785 17.623 -7.207 -64.752 B 60 HIS A 130 HIS~? B 84 ASP A 123 ASP.? B 140 GLY A 139 GLY~?