*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1d6o_c00 FK506-BINDING PROTEIN user 7 3 RMSD = 0.62 A TRANSFORM 0.4731 0.1728 -0.8639 -0.5919 0.7887 -0.1664 -0.6526 -0.5900 -0.4754 75.270 -41.834 12.014 A 37 ASP A 240 ASP^? A 56 ILE A 234 ILE^? A 82 TYR A 18 TYR.? ULMNm 3 1d6o_c01 FK506-BINDING PROTEIN user 7 3 RMSD = 0.63 A TRANSFORM 0.4739 0.1665 -0.8647 -0.5699 0.8066 -0.1570 -0.6713 -0.5672 -0.4771 78.407 -58.599 -16.831 B 37 ASP A 240 ASP^? B 56 ILE A 234 ILE^? B 82 TYR A 18 TYR.? ULMNm 3 1mpy_c00 CATECHOL 2,3-DIOXYGENASE user 2 3 RMSD = 0.75 A TRANSFORM 0.6134 0.7837 0.0977 0.5774 -0.5294 0.6216 -0.5389 0.3249 0.7772 65.578 26.947 -32.189 A 199 HIS A 71 HIS^? A 246 HIS A 225 HIS^? A 255 TYR A 92 TYR^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 2 3 RMSD = 0.75 A TRANSFORM -0.4868 0.7863 -0.3804 0.7581 0.5967 0.2631 -0.4338 0.1603 0.8866 -13.388 -26.693 -10.548 141 ASP A 166 ASP^? 166 GLY A 153 GLY^? 169 GLU A 138 GLU^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 5 3 RMSD = 0.78 A TRANSFORM -0.4033 -0.9146 0.0286 0.7767 -0.3587 -0.5178 -0.4838 0.1866 -0.8550 28.258 11.189 3.538 141 ASP A 184 ASP^? 166 GLY A 108 GLY^? 169 GLU A 173 GLU^? ULMNm 3 1mpy_c03 CATECHOL 2,3-DIOXYGENASE user 2 3 RMSD = 0.79 A TRANSFORM -0.6337 -0.7723 -0.0439 -0.7144 0.6061 -0.3498 -0.2968 0.1903 0.9358 75.305 -6.871 -26.969 D 199 HIS A 71 HIS^? D 246 HIS A 225 HIS^? D 255 TYR A 92 TYR^? ULMNm 3 1mpy_c01 CATECHOL 2,3-DIOXYGENASE user 2 3 RMSD = 0.81 A TRANSFORM -0.2372 -0.9651 0.1109 0.9155 -0.1839 0.3578 0.3250 -0.1864 -0.9272 84.234 29.593 18.188 B 199 HIS A 71 HIS^? B 246 HIS A 225 HIS^? B 255 TYR A 92 TYR^? ULMNm 3 1mpy_c02 CATECHOL 2,3-DIOXYGENASE user 2 3 RMSD = 0.81 A TRANSFORM 0.3270 0.9291 -0.1726 -0.7835 0.1645 -0.5992 0.5284 -0.3312 -0.7818 60.422 4.023 24.088 C 199 HIS A 71 HIS^? C 246 HIS A 225 HIS^? C 255 TYR A 92 TYR^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 RMSD = 0.98 A TRANSFORM -0.2894 -0.6519 0.7009 -0.5937 0.6966 0.4028 0.7508 0.2996 0.5887 -1.091 -19.750 -13.010 141 ASP A 94 ASP^? 166 GLY A 70 GLY^? 169 GLU A 36 GLU^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 8 3 RMSD = 1.06 A TRANSFORM -0.8761 -0.4739 0.0881 -0.0818 0.3264 0.9417 0.4751 -0.8178 0.3247 4.558 -15.028 35.609 141 ASP A 235 ASP^? 166 GLY A 76 GLY^? 169 GLU A 38 GLU^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 3 3 RMSD = 1.08 A TRANSFORM -0.5103 0.7705 -0.3819 0.4082 0.6079 0.6810 -0.7569 -0.1916 0.6248 -12.972 -28.269 9.096 141 ASP A 166 ASP^? 166 GLY A 154 GLY^? 169 GLU A 138 GLU^? ULMNm 3 1qho_c05 ALPHA-AMYLASE user 1 3 RMSD = 1.08 A TRANSFORM -0.8669 0.4955 -0.0544 0.0293 0.1596 0.9867 -0.4976 -0.8538 0.1529 17.231 58.721 61.946 A 228 ASP A 169 ASP^? A 261 ASP A 69 ASP^? A 329 ASP A 39 ASP^? ULMNm 3 1qrz_c21 PLASMINOGEN user 1 3 RMSD = 1.11 A TRANSFORM -0.6986 -0.6818 -0.2170 -0.6578 0.7314 -0.1801 -0.2815 -0.0169 0.9594 -21.520 -20.512 -15.648 B 603 HIS A 72 HIS^? B 646 ASP A 39 ASP^? B 739 GLY A 180 GLY^? ULMNm 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 1 3 RMSD = 1.15 A TRANSFORM 0.9964 0.0371 0.0757 0.0833 -0.2956 -0.9517 0.0129 -0.9546 0.2976 -0.890 83.251 65.464 179 ASP A 39 ASP^? 227 GLU A 30 GLU^? 289 ASP A 169 ASP^? ULMNm 3 1qrz_c22 PLASMINOGEN user 1 3 RMSD = 1.16 A TRANSFORM 0.0271 -0.1754 -0.9841 0.6901 -0.7090 0.1454 0.7232 0.6831 -0.1018 20.292 13.865 -14.303 C 603 HIS A 72 HIS^? C 646 ASP A 39 ASP^? C 739 GLY A 180 GLY^? ULMNm 3 1fhl_c00 BETA-1,4-GALACTANASE user 1 3 RMSD = 1.17 A TRANSFORM -0.0109 0.4419 0.8970 -0.5288 0.7588 -0.3802 0.8487 0.4785 -0.2254 -29.543 23.279 90.799 A 45 ARG A 214 ARG^? A 136 GLU A 156 GLU^? A 246 GLU A 216 GLU^? ULMNm 3 1qrz_c20 PLASMINOGEN user 1 3 RMSD = 1.18 A TRANSFORM -0.6676 -0.7188 -0.1940 -0.7063 0.6938 -0.1405 -0.2357 -0.0432 0.9709 7.123 -19.643 23.388 A 603 HIS A 72 HIS^? A 646 ASP A 39 ASP^? A 739 GLY A 180 GLY^? ULMNm 3 1qrz_c23 PLASMINOGEN user 1 3 RMSD = 1.19 A TRANSFORM 0.0498 -0.2202 -0.9742 0.6667 -0.7189 0.1966 0.7437 0.6593 -0.1111 -32.375 13.880 24.839 D 603 HIS A 72 HIS^? D 646 ASP A 39 ASP^? D 739 GLY A 180 GLY^? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 1 3 RMSD = 1.20 A TRANSFORM -0.2885 0.8954 -0.3392 0.9507 0.2258 -0.2127 0.1139 0.3839 0.9163 30.642 5.160 -16.671 A 229 ALA A 134 ALA^? A 257 ALA A 142 ALA^? A 328 ASP A 127 ASP^? ULMNm 3 1req_c11 METHYLMALONYL-COA MUTASE user 1 3 RMSD = 1.20 A TRANSFORM 0.7465 0.3861 -0.5419 0.5080 0.1951 0.8390 -0.4297 0.9016 0.0505 -14.619 63.164 29.469 C 608 ASP A 69 ASP^? C 610 HIS A 225 HIS^? C 661 HIS A 72 HIS^? ULMNm 3 1req_c10 METHYLMALONYL-COA MUTASE user 1 3 RMSD = 1.21 A TRANSFORM -0.7209 0.6218 0.3062 -0.5149 -0.1848 -0.8371 0.4639 0.7611 -0.4534 49.082 98.581 -8.794 A 608 ASP A 69 ASP^? A 610 HIS A 225 HIS^? A 661 HIS A 72 HIS^? ULMNm 3 1gal_c00 GLUCOSE OXIDASE (E.C.1.1.3.4) user 1 3 RMSD = 1.21 A TRANSFORM 0.2619 0.4706 -0.8426 0.1693 0.8371 0.5202 -0.9501 0.2789 -0.1396 47.781 -21.860 49.458 412 GLU A 30 GLU^? 516 HIS A 225 HIS^? 559 HIS A 29 HIS^? ULMNm 3 1ddj_c12 PLASMINOGEN user 1 3 RMSD = 1.21 A TRANSFORM -0.8823 -0.4198 0.2130 0.2452 -0.0236 0.9692 0.4018 -0.9073 -0.1238 22.418 42.186 21.891 A 603 HIS A 225 HIS^? A 646 ASP A 69 ASP^? A 739 GLY A 180 GLY^? ULMNm 3 1ddj_c14 PLASMINOGEN user 1 3 RMSD = 1.22 A TRANSFORM -0.8850 -0.4401 0.1520 0.1742 -0.0100 0.9847 0.4318 -0.8979 -0.0855 21.463 40.570 84.206 C 603 HIS A 225 HIS^? C 646 ASP A 69 ASP^? C 739 GLY A 180 GLY^? ULMNm 3 1cwy_c00 AMYLOMALTASE user 1 3 RMSD = 1.22 A TRANSFORM 0.4949 -0.8428 0.2116 -0.0194 -0.2541 -0.9670 -0.8687 -0.4745 0.1422 -15.569 -11.391 22.709 A 293 ASP A 39 ASP^? A 340 GLU A 36 GLU^? A 395 ASP A 169 ASP^? ULMNm 3 1de3_c00 RIBONUCLEASE ALPHA-SARCIN user 2 3 RMSD = 1.23 A TRANSFORM 0.2687 0.4705 -0.8405 -0.1202 0.8821 0.4554 -0.9557 0.0214 -0.2936 2.597 -37.180 9.573 A 50 HIS A 71 HIS^? A 96 GLU A 30 GLU^? A 137 HIS A 225 HIS^? ULMNm 3 1fob_c00 BETA-1,4-GALACTANASE user 1 3 RMSD = 1.24 A TRANSFORM -0.0108 0.4001 0.9164 -0.5059 0.7883 -0.3501 0.8625 0.4674 -0.1939 -28.574 20.612 89.603 A 45 ARG A 214 ARG^? A 136 GLU A 156 GLU^? A 246 GLU A 216 GLU^? ULMNm 3 1c54_c00 RIBONUCLEASE SA user 2 3 RMSD = 1.26 A TRANSFORM 0.3580 0.6651 -0.6553 0.2874 -0.7463 -0.6004 0.8884 -0.0266 0.4583 -21.474 36.829 -20.021 A 54 GLU A 36 GLU^? A 65 ARG A 73 ARG^? A 85 HIS A 71 HIS^? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 6 3 RMSD = 1.26 A TRANSFORM 0.2102 -0.0588 0.9759 -0.6186 0.7650 0.1793 0.7571 0.6413 -0.1244 -24.798 -33.471 -19.521 14 ASP A 69 ASP^? 16 HIS A 225 HIS^? 67 GLY A 61 GLY^? ULMNm 3 1ddj_c13 PLASMINOGEN user 1 3 RMSD = 1.26 A TRANSFORM -0.0128 0.8363 -0.5481 0.6657 -0.4019 -0.6287 0.7461 0.3729 0.5516 -38.371 60.722 -39.646 B 603 HIS A 225 HIS^? B 646 ASP A 69 ASP^? B 739 GLY A 180 GLY^? ULMNm 3 1bvz_c09 ALPHA-AMYLASE II user 3 3 RMSD = 1.28 A TRANSFORM 0.0187 0.3056 0.9520 -0.5806 -0.7718 0.2592 -0.8140 0.5576 -0.1630 9.246 34.571 30.555 B 325 ASP A 39 ASP^? B 354 GLU A 36 GLU^? B 421 ASP A 169 ASP^? ULMNm 3 1ddj_c15 PLASMINOGEN user 2 3 RMSD = 1.28 A TRANSFORM 0.1029 0.9339 -0.3424 0.5782 -0.3362 -0.7434 0.8094 0.1215 0.5745 -46.166 58.124 30.075 D 603 HIS A 225 HIS^? D 646 ASP A 69 ASP^? D 739 GLY A 180 GLY^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 4 3 RMSD = 1.32 A TRANSFORM -0.8543 0.5166 -0.0576 -0.5002 -0.8472 -0.1793 0.1414 0.1244 -0.9821 -3.587 43.528 0.577 141 ASP A 169 ASP^? 166 GLY A 145 GLY^? 169 GLU A 126 GLU^? ULMNm 3 1bhg_c05 BETA-GLUCURONIDASE user 3 3 RMSD = 1.34 A TRANSFORM 0.1851 -0.5294 -0.8280 -0.9735 -0.2139 -0.0809 0.1342 -0.8210 0.5549 124.206 60.663 125.604 B 382 ARG A 214 ARG^? B 451 GLU A 156 GLU^? B 540 GLU A 216 GLU^? ULMNm 3 1bvz_c09 ALPHA-AMYLASE II user 5 3 RMSD = 1.36 A TRANSFORM 0.0729 0.8025 -0.5921 -0.5244 0.5359 0.6618 -0.8484 -0.2623 -0.4599 -2.620 -18.077 63.858 B 325 ASP A 39 ASP^? B 354 GLU A 38 GLU^? B 421 ASP A 169 ASP^? ULMNm 3 1rtu_c00 RIBONUCLEASE U2 user 1 3 RMSD = 1.38 A TRANSFORM -0.7635 0.5706 0.3024 -0.6439 -0.7085 -0.2888 -0.0495 0.4152 -0.9084 -11.579 56.344 17.357 41 HIS A 71 HIS^? 62 GLU A 30 GLU^? 101 HIS A 225 HIS^? ULMNm 3 1vzz_c01 STEROID DELTA-ISOMERASE user 5 3 RMSD = 1.38 A TRANSFORM 0.7023 -0.6336 0.3245 -0.3881 -0.7230 -0.5716 -0.5968 -0.2754 0.7537 26.023 49.091 42.750 B 16 TYR A 178 TYR^? B 40 ASP A 166 ASP^? B 103 LEU A 176 LEU^? ULMNm 3 1al6_c00 CITRATE SYNTHASE user 2 3 RMSD = 1.38 A TRANSFORM -0.3876 -0.8749 0.2903 -0.5618 -0.0254 -0.8269 -0.7308 0.4835 0.4817 37.409 9.625 -22.746 274 HIS A 72 HIS^? 320 HIS A 29 HIS^? 375 ASP A 69 ASP^? ULMNm 3 1b57_c01 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 1 3 RMSD = 1.38 A TRANSFORM -0.5948 -0.5888 -0.5473 0.7972 -0.3446 -0.4957 -0.1032 0.7312 -0.6743 44.826 64.450 107.464 B 109 ASP A 109 ASP^? B 182 GLU A 173 GLU^? B 286 ASN A 111 ASN^? ULMNm 3 1bvz_c08 ALPHA-AMYLASE II user 3 3 RMSD = 1.38 A TRANSFORM -0.0282 -0.2493 -0.9680 0.9104 0.3936 -0.1279 -0.4128 0.8849 -0.2158 45.772 37.980 30.234 A 325 ASP A 39 ASP^? A 354 GLU A 36 GLU^? A 421 ASP A 169 ASP^? ULMNm 3 1vzz_c00 STEROID DELTA-ISOMERASE user 5 3 RMSD = 1.40 A TRANSFORM 0.7988 -0.5829 0.1490 0.4071 0.7060 0.5795 0.4430 0.4022 -0.8013 23.209 -12.452 2.772 A 16 TYR A 178 TYR^? A 40 ASP A 166 ASP^? A 103 LEU A 176 LEU^? ULMNm 3 1onr_c00 TRANSALDOLASE B user 1 3 RMSD = 1.40 A TRANSFORM -0.2965 -0.3820 -0.8753 -0.7336 -0.4958 0.4648 0.6116 -0.7799 0.1332 61.613 1.808 33.111 A 17 ASP A 91 ASP^? A 96 GLU A 206 GLU^? A 132 LYS A 205 LYS^? ULMNm 3 1onr_c01 TRANSALDOLASE B user 1 3 RMSD = 1.40 A TRANSFORM -0.3027 -0.3851 -0.8718 -0.7164 -0.5114 0.4746 0.6286 -0.7682 0.1211 61.445 47.000 15.998 B 17 ASP A 91 ASP^? B 96 GLU A 206 GLU^? B 132 LYS A 205 LYS^? ULMNm 3 1b57_c00 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 1 3 RMSD = 1.42 A TRANSFORM 0.3010 -0.6606 -0.6878 -0.9475 -0.2888 -0.1373 0.1079 -0.6930 0.7128 41.607 73.046 132.478 A 109 ASP A 109 ASP^? A 182 GLU A 173 GLU^? A 286 ASN A 111 ASN^? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 4 3 RMSD = 1.46 A TRANSFORM 0.9209 -0.0650 0.3844 0.0535 -0.9556 -0.2899 -0.3861 -0.2876 0.8765 -11.859 25.901 -15.455 14 ASP A 69 ASP^? 16 HIS A 71 HIS^? 67 GLY A 137 GLY^? ULMNm 3 1gim_c00 ADENYLOSUCCINATE SYNTHETASE user 1 3 RMSD = 1.46 A TRANSFORM -0.8365 -0.4864 -0.2523 0.4667 -0.3911 -0.7932 -0.2871 0.7813 -0.5542 14.104 71.533 21.427 13 ASP A 39 ASP^? 41 HIS A 72 HIS^? 224 GLN A 34 GLN^? ULMNm 3 1j70_c02 ATP SULPHURYLASE user 3 3 RMSD = 1.47 A TRANSFORM 0.2090 -0.8938 0.3967 0.8295 -0.0528 -0.5560 -0.5179 -0.4453 -0.7304 46.383 16.137 45.236 C 197 ARG A 200 ARG^? C 201 HIS A 72 HIS^? C 204 HIS A 71 HIS^? ULMNm 3 1bvz_c08 ALPHA-AMYLASE II user 5 3 RMSD = 1.47 A TRANSFORM -0.0843 -0.8368 0.5410 0.8804 -0.3168 -0.3529 -0.4667 -0.4465 -0.7634 61.327 66.564 84.564 A 325 ASP A 39 ASP^? A 354 GLU A 38 GLU^? A 421 ASP A 169 ASP^? ULMNm 3 1amy_c05 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 1 3 RMSD = 1.47 A TRANSFORM 0.9578 -0.1948 0.2112 0.2681 0.3419 -0.9007 -0.1033 -0.9193 -0.3797 8.123 58.448 67.615 179 ASP A 39 ASP^? 204 GLU A 36 GLU^? 289 ASP A 169 ASP^? ULMNm 3 1j70_c01 ATP SULPHURYLASE user 3 3 RMSD = 1.48 A TRANSFORM -0.8459 0.2087 0.4907 -0.0784 0.8616 -0.5016 0.5275 0.4627 0.7125 -23.677 90.561 -2.292 B 197 ARG A 200 ARG^? B 201 HIS A 72 HIS^? B 204 HIS A 71 HIS^?