*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 4 1kez_c02 ERYTHRONOLIDE SYNTHASE user 1 4 RMSD = 1.21 A TRANSFORM -0.5174 0.7155 0.4694 0.0056 -0.5457 0.8380 -0.8557 -0.4362 -0.2783 -8.181 22.376 38.748 C 142 SER A 52 SER^? C 143 ALA A 51 ALA^? C 169 ASP A 64 ASP^? C 259 HIS A 54 HIS^? ULMNm 4 1ddj_c05 PLASMINOGEN user 1 4 RMSD = 1.35 A TRANSFORM 0.0041 -0.3196 -0.9476 -0.6524 0.7173 -0.2447 -0.7579 -0.6192 0.2055 9.206 33.141 -25.424 B 603 HIS A 65 HIS^? B 646 ASP A 64 ASP^? B 741 ALA A 70 ALA~? B 742 GLY A 67 GLY~? ULMNm 4 1kez_c00 ERYTHRONOLIDE SYNTHASE user 1 4 RMSD = 1.37 A TRANSFORM 0.5855 0.7953 0.1568 0.5070 -0.5102 0.6948 -0.6326 0.3273 0.7020 -85.379 14.679 -13.461 A 142 SER A 52 SER^? A 143 ALA A 51 ALA^? A 169 ASP A 64 ASP^? A 259 HIS A 54 HIS^? ULMNm 3 3oit_o01 CURCUMINOID SYNTHASE CUS FROM ORYZA user 1 3 RMSD = 0.83 A TRANSFORM 0.3760 0.2309 -0.8974 -0.8965 -0.1543 -0.4153 0.2344 -0.9607 -0.1490 30.569 43.603 -24.561 B 174 CYH A 120 CYH^? B 316 HIS A 105 HIS^? B 349 ASN A 107 ASN^? ULMNm 3 3oit_o00 CURCUMINOID SYNTHASE CUS FROM ORYZA user 1 3 RMSD = 0.88 A TRANSFORM -0.0962 -0.0490 0.9942 -0.5437 -0.8340 -0.0937 -0.8337 0.5496 -0.0536 -57.030 23.580 -14.806 A 174 CYH A 120 CYH^? A 316 HIS A 105 HIS^? A 349 ASN A 107 ASN^? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 RMSD = 0.88 A TRANSFORM -0.8786 -0.4758 0.0404 0.3382 -0.6796 -0.6510 -0.3372 0.5583 -0.7580 34.887 -54.691 -105.352 A 420 ALA A 109 ALA^? B 182 GLY A 80 GLY~? B 183 GLY A 79 GLY~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 1 3 RMSD = 0.89 A TRANSFORM 0.0693 0.7581 0.6485 -0.7050 -0.4227 0.5694 -0.7058 0.4966 -0.5052 -16.685 -17.259 16.602 A 250 ALA A 21 ALA~? A 251 GLY A 99 GLY.? A 252 ASP A 98 ASP.? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 1 3 RMSD = 0.89 A TRANSFORM 0.7280 0.5558 -0.4014 -0.1509 -0.4412 -0.8846 0.6688 -0.7046 0.2373 7.381 24.395 -53.121 B 250 ALA A 21 ALA~? B 251 GLY A 99 GLY.? B 252 ASP A 98 ASP.? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 5 3 RMSD = 0.94 A TRANSFORM -0.0364 -0.1068 0.9936 0.9200 -0.3917 -0.0084 -0.3901 -0.9139 -0.1126 -40.947 0.947 4.885 14 ASP A 64 ASP^? 16 HIS A 65 HIS^? 67 GLY A 119 GLY^? ULMNm 3 1lij_c01 ADENOSINE KINASE user 1 3 RMSD = 0.94 A TRANSFORM -0.8770 0.4788 0.0402 -0.4192 -0.7217 -0.5508 0.2347 0.4999 -0.8337 146.723 62.881 13.409 A 316 ALA A 21 ALA~? A 317 GLY A 99 GLY.? A 318 ASP A 98 ASP.? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 4 3 RMSD = 0.98 A TRANSFORM -0.7763 -0.6292 -0.0389 0.1905 -0.1752 -0.9659 -0.6010 0.7572 -0.2558 42.364 -45.527 -136.436 A 420 ALA A 109 ALA^? B 182 GLY A 83 GLY.? B 183 GLY A 84 GLY.? ULMNm 3 1cjy_c01 CYTOSOLIC PHOSPHOLIPASE A2 user 1 3 RMSD = 1.04 A TRANSFORM 0.1680 -0.7400 0.6513 0.6485 0.5806 0.4923 0.7424 -0.3397 -0.5774 121.363 49.776 153.654 B1198 GLY A 67 GLY~? B1228 SER A 52 SER^? B1549 ASP A 64 ASP^? ULMNm 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 1 3 RMSD = 1.07 A TRANSFORM -0.3250 -0.9457 -0.0090 0.3697 -0.1358 0.9192 0.8705 -0.2954 -0.3937 60.429 -33.022 76.274 A 198 GLY A 67 GLY~? A 228 SER A 52 SER^? A 549 ASP A 64 ASP^? ULMNm 3 1b6g_c00 HALOALKANE DEHALOGENASE user 2 3 RMSD = 1.08 A TRANSFORM -0.7729 0.4546 -0.4427 -0.0237 -0.7179 -0.6958 0.6341 0.5273 -0.5656 41.349 62.210 37.334 124 ASP A 133 ASP^? 260 ASP A 64 ASP^? 289 HIS A 54 HIS^? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 3 3 RMSD = 1.09 A TRANSFORM 0.3153 -0.1565 -0.9360 0.6310 0.7713 0.0836 -0.7088 0.6169 -0.3420 94.252 -110.009 -131.669 A 420 ALA A 109 ALA^? B 182 GLY A 80 GLY~? B 183 GLY A 83 GLY.? ULMNm 3 1cns_c01 CHITINASE user 2 3 RMSD = 1.13 A TRANSFORM 0.3707 0.7051 0.6044 0.5891 -0.6817 0.4340 -0.7180 -0.1952 0.6681 -24.879 -26.897 31.048 B 67 GLU A 125 GLU^? B 89 GLU A 20 GLU~? B 120 SER A 96 SER.? ULMNm 3 3a5q_o01 BENZALACETONE SYNTHASE user 1 3 RMSD = 1.14 A TRANSFORM 0.4941 -0.2415 -0.8352 -0.8355 0.1336 -0.5330 -0.2403 -0.9612 0.1358 43.480 -7.940 55.394 B 157 CYH A 120 CYH^? B 296 HIS A 105 HIS^? B 329 ASN A 107 ASN^? ULMNm 3 1dco_c00 DCOH user 1 3 RMSD = 1.14 A TRANSFORM -0.2041 -0.9344 -0.2920 0.1302 -0.3216 0.9379 0.9702 -0.1534 -0.1873 70.708 7.336 51.066 A 62 HIS A 54 HIS^? A 63 HIS A 65 HIS^? A 89 ASP A 133 ASP^? ULMNm 3 3a5q_o00 BENZALACETONE SYNTHASE user 1 3 RMSD = 1.16 A TRANSFORM -0.4931 0.2314 0.8386 -0.4702 -0.8819 -0.0331 -0.7319 0.4106 -0.5437 -23.335 -36.775 94.228 A 157 CYH A 120 CYH^? A 296 HIS A 105 HIS^? A 329 ASN A 107 ASN^? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 1.20 A TRANSFORM 0.2374 -0.3340 -0.9122 0.8845 0.4627 0.0608 -0.4017 0.8212 -0.4053 94.795 -102.709 -127.307 A 420 ALA A 109 ALA^? B 182 GLY A 79 GLY~? B 183 GLY A 84 GLY.? ULMNm 3 1ct9_c04 ASPARAGINE SYNTHETASE B user 2 3 RMSD = 1.22 A TRANSFORM 0.5014 0.0949 -0.8600 -0.6504 -0.6142 -0.4470 0.5706 -0.7835 0.2462 27.580 105.222 124.280 A 1 ALA A 25 ALA~? A 74 ASN A 24 ASN~? A 75 GLY A 99 GLY.? ULMNm 3 1m53_c06 ISOMALTULOSE SYNTHASE user 2 3 RMSD = 1.23 A TRANSFORM -0.3105 -0.2519 0.9166 0.9479 -0.1543 0.2787 -0.0712 -0.9554 -0.2867 -15.258 26.642 105.371 A 241 ASP A 133 ASP^? A 279 GLU A 26 GLU~? A 369 ASP A 64 ASP^? ULMNm 3 1ct9_c05 ASPARAGINE SYNTHETASE B user 2 3 RMSD = 1.23 A TRANSFORM 0.1774 -0.6615 -0.7287 0.1401 -0.7159 0.6840 0.9741 0.2234 0.0343 85.172 0.818 8.750 B 1 ALA A 25 ALA~? B 74 ASN A 24 ASN~? B 75 GLY A 99 GLY.? ULMNm 3 1ct9_c07 ASPARAGINE SYNTHETASE B user 2 3 RMSD = 1.24 A TRANSFORM 0.1258 -0.3189 0.9394 -0.1438 0.9311 0.3353 0.9816 0.1773 -0.0713 -48.193 6.157 103.414 D 1 ALA A 25 ALA~? D 74 ASN A 24 ASN~? D 75 GLY A 99 GLY.? ULMNm 3 1ez2_c01 PHOSPHOTRIESTERASE user 2 3 RMSD = 1.26 A TRANSFORM 0.6229 0.7463 0.2346 -0.7789 0.6196 0.0971 0.0729 0.2432 -0.9672 33.620 -42.313 31.344 B 233 ASP A 133 ASP^? B 254 HIS A 54 HIS^? B 301 ASP A 64 ASP^? ULMNm 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 1 3 RMSD = 1.27 A TRANSFORM 0.6910 0.1859 -0.6985 -0.2178 0.9750 0.0441 -0.6893 -0.1216 -0.7142 50.944 90.435 36.310 193 ASP A 64 ASP^? 231 ASP A 140 ASP~? 294 ASP A 133 ASP^? ULMNm 3 1qtn_c02 ACETYL-ILE-GLU-THR-ASP-ALDEHYDE user 2 3 RMSD = 1.27 A TRANSFORM 0.6647 0.7172 0.2093 -0.6461 0.4111 0.6430 -0.3752 0.5626 -0.7367 -30.031 2.526 66.062 A 317 HIS A 105 HIS^? A 318 GLY A 119 GLY^? A 360 CYH A 120 CYH^? ULMNm 3 1luc_c00 BACTERIAL LUCIFERASE user 1 3 RMSD = 1.28 A TRANSFORM 0.5156 -0.0951 -0.8515 0.5585 -0.7164 0.4182 0.6498 0.6912 0.3162 80.171 -4.699 13.307 A 44 HIS A 54 HIS^? A 45 HIS A 65 HIS^? A 261 PHE A 47 PHE^? ULMNm 3 1ct9_c06 ASPARAGINE SYNTHETASE B user 2 3 RMSD = 1.29 A TRANSFORM 0.4337 0.4114 0.8017 0.6946 0.4141 -0.5883 0.5740 -0.8119 0.1061 -34.311 22.375 44.927 C 1 ALA A 25 ALA~? C 74 ASN A 24 ASN~? C 75 GLY A 99 GLY.? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 6 3 RMSD = 1.29 A TRANSFORM 0.6811 0.7082 -0.1856 0.0682 0.1910 0.9792 -0.7290 0.6796 -0.0818 46.511 -155.941 -145.981 A 420 ALA A 109 ALA^? B 182 GLY A 84 GLY.? B 183 GLY A 83 GLY.? ULMNm 3 1ez2_c00 PHOSPHOTRIESTERASE user 2 3 RMSD = 1.31 A TRANSFORM 0.6052 0.7720 0.1946 0.7961 -0.5848 -0.1558 0.0065 -0.2491 0.9684 33.363 9.023 4.462 A 233 ASP A 133 ASP^? A 254 HIS A 54 HIS^? A 301 ASP A 64 ASP^? ULMNm 3 1luc_c00 BACTERIAL LUCIFERASE user 5 3 RMSD = 1.34 A TRANSFORM -0.8557 -0.4724 -0.2113 -0.4686 0.8806 -0.0709 -0.2195 -0.0383 0.9749 57.577 -9.283 -4.394 A 44 HIS A 65 HIS^? A 45 HIS A 54 HIS^? A 261 PHE A 138 PHE^? ULMNm 3 2odj_o00 PORIN D user 1 3 RMSD = 1.34 A TRANSFORM -0.7093 -0.6829 -0.1745 -0.0825 0.3263 -0.9417 -0.7000 0.6535 0.2878 29.633 55.260 11.285 A 156 HIS A 137 HIS^? A 208 ASP A 64 ASP^? A 296 SER A 37 SER~? ULMNm 3 2odj_o00 PORIN D user 3 3 RMSD = 1.36 A TRANSFORM -0.0183 -0.6908 0.7228 -0.8477 -0.3726 -0.3776 -0.5302 0.6196 0.5788 -12.027 41.455 -1.609 A 156 HIS A 137 HIS^? A 208 ASP A 145 ASP~? A 296 SER A 37 SER~? ULMNm 3 1ddj_c15 PLASMINOGEN user 1 3 RMSD = 1.36 A TRANSFORM -0.1480 0.9854 -0.0843 0.2841 0.1240 0.9507 -0.9473 -0.1168 0.2983 -38.202 -1.206 35.718 D 603 HIS A 54 HIS^? D 646 ASP A 133 ASP^? D 739 GLY A 103 GLY^? ULMNm 3 1ez2_c00 PHOSPHOTRIESTERASE user 1 3 RMSD = 1.39 A TRANSFORM -0.6242 -0.5921 -0.5097 -0.7813 0.4739 0.4063 -0.0010 -0.6518 0.7584 74.298 -21.128 16.319 A 233 ASP A 64 ASP^? A 254 HIS A 54 HIS^? A 301 ASP A 133 ASP^? ULMNm 3 1nw9_c02 CASPASE 9, APOPTOSIS-RELATED CYSTEINuser 2 3 RMSD = 1.39 A TRANSFORM -0.0886 0.8804 -0.4659 -0.3720 -0.4631 -0.8044 0.9240 -0.1021 -0.3686 62.783 59.051 106.801 B 237 HIS A 105 HIS^? B 238 GLY A 119 GLY^? B 287 CYH A 120 CYH^? ULMNm 3 1ez2_c01 PHOSPHOTRIESTERASE user 1 3 RMSD = 1.39 A TRANSFORM -0.6343 -0.6270 -0.4523 0.7721 -0.4844 -0.4113 -0.0388 0.6101 -0.7914 74.116 -13.369 21.155 B 233 ASP A 64 ASP^? B 254 HIS A 54 HIS^? B 301 ASP A 133 ASP^? ULMNm 3 1qtn_c02 ACETYL-ILE-GLU-THR-ASP-ALDEHYDE user 1 3 RMSD = 1.40 A TRANSFORM -0.8175 0.1645 -0.5520 -0.2780 0.7266 0.6283 -0.5044 -0.6671 0.5482 18.004 -0.782 20.501 A 317 HIS A 105 HIS^? A 318 GLY A 103 GLY^? A 360 CYH A 121 CYH^? ULMNm 3 1coy_c00 CHOLESTEROL OXIDASE (E.C.1.1.3.6) COuser 1 3 RMSD = 1.42 A TRANSFORM -0.1585 -0.7279 -0.6672 0.3362 0.5955 -0.7296 -0.9284 0.3399 -0.1503 28.895 44.011 31.029 361 GLU A 136 GLU^? 447 HIS A 105 HIS^? 485 ASN A 107 ASN^? ULMNm 3 1b6g_c00 HALOALKANE DEHALOGENASE user 1 3 RMSD = 1.42 A TRANSFORM 0.7157 0.2397 -0.6560 -0.0340 0.9501 0.3101 -0.6976 0.1996 -0.6881 49.777 8.630 46.490 124 ASP A 64 ASP^? 260 ASP A 133 ASP^? 289 HIS A 54 HIS^? ULMNm 3 1hq0_o00 CYTOTOXIC NECROTIZING FACTOR 1 user 1 3 RMSD = 1.43 A TRANSFORM -0.0410 0.7460 -0.6646 -0.6470 -0.5267 -0.5513 0.7613 -0.4074 -0.5043 36.934 56.874 52.863 A 833 VAL A 89 VAL^? A 866 CYH A 120 CYH^? A 881 HIS A 105 HIS^? ULMNm 3 2wwt_o05 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 RMSD = 1.43 A TRANSFORM -0.7286 0.6282 -0.2728 0.6837 0.6437 -0.3437 0.0403 0.4369 0.8986 -81.520 15.323 3.612 F 49 ASP A 64 ASP^? F 86 HIS A 54 HIS^? F 250 ALA A 51 ALA^? ULMNm 3 1geq_c02 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 2 3 RMSD = 1.44 A TRANSFORM 0.2691 0.7267 0.6321 0.3960 0.5147 -0.7604 0.8779 -0.4549 0.1493 1.730 44.541 73.715 A 36 GLU A 136 GLU^? A 47 ASP A 145 ASP~? A 161 TYR A 78 TYR~? ULMNm 3 9pap_c00 PAPAIN user 1 3 RMSD = 1.44 A TRANSFORM -0.9738 -0.1259 0.1895 0.0243 -0.8856 -0.4638 -0.2263 0.4470 -0.8654 23.825 102.183 57.972 25 CYH A 120 CYH^? 159 HIS A 105 HIS^? 175 ASN A 107 ASN^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 2 3 RMSD = 1.44 A TRANSFORM 0.6601 0.5258 -0.5365 -0.0298 0.7319 0.6807 -0.7506 0.4334 -0.4988 11.416 -31.606 7.883 141 ASP A 48 ASP^? 166 GLY A 76 GLY~? 169 GLU A 81 GLU~? ULMNm 3 1geq_c03 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 2 3 RMSD = 1.44 A TRANSFORM -0.3315 -0.4742 0.8156 -0.3388 -0.7470 -0.5720 -0.8805 0.4660 -0.0870 24.887 68.525 50.495 B 36 GLU A 136 GLU^? B 47 ASP A 145 ASP~? B 161 TYR A 78 TYR~? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 4 3 RMSD = 1.47 A TRANSFORM 0.3564 0.9289 -0.1006 0.0178 -0.1144 -0.9933 0.9342 -0.3522 0.0573 16.451 82.771 84.760 A 241 ASP A 145 ASP~? A 265 GLU A 110 GLU^? A 369 ASP A 140 ASP~? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 3 3 RMSD = 1.47 A TRANSFORM -0.6977 -0.4528 0.5551 0.6403 -0.7416 0.2000 -0.3211 -0.4950 -0.8074 -17.432 28.285 121.970 A 241 ASP A 140 ASP~? A 265 GLU A 110 GLU^? A 369 ASP A 145 ASP~? ULMNm 3 1m53_c06 ISOMALTULOSE SYNTHASE user 1 3 RMSD = 1.47 A TRANSFORM 0.1490 -0.6141 0.7750 0.9808 -0.0076 -0.1947 -0.1255 -0.7892 -0.6012 -6.322 40.251 113.545 A 241 ASP A 133 ASP^? A 279 GLU A 22 GLU~? A 369 ASP A 64 ASP^? ULMNm 3 1ct9_c04 ASPARAGINE SYNTHETASE B user 3 3 RMSD = 1.48 A TRANSFORM 0.2754 -0.8638 -0.4218 -0.5267 -0.5027 0.6855 0.8042 -0.0334 0.5934 33.971 35.961 94.228 A 1 ALA A 88 ALA^? A 74 ASN A 107 ASN^? A 75 GLY A 119 GLY^? ULMNm 3 1nw9_c02 CASPASE 9, APOPTOSIS-RELATED CYSTEINuser 3 3 RMSD = 1.48 A TRANSFORM 0.0309 0.9191 -0.3927 0.4184 -0.3687 -0.8300 0.9077 0.1387 0.3960 58.327 56.847 65.067 B 237 HIS A 105 HIS^? B 238 GLY A 119 GLY^? B 287 CYH A 121 CYH^? ULMNm 3 2wwt_o04 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 RMSD = 1.49 A TRANSFORM 0.0579 -0.9214 0.3843 0.9972 0.0719 0.0221 0.0480 -0.3820 -0.9229 -39.271 26.739 51.267 E 49 ASP A 64 ASP^? E 86 HIS A 54 HIS^? E 250 ALA A 51 ALA^? ULMNm 3 2odj_o00 PORIN D user 2 3 RMSD = 1.50 A TRANSFORM 0.5325 -0.3923 0.7501 -0.7546 -0.6214 0.2107 -0.3834 0.6782 0.6269 -18.742 18.733 -4.664 A 156 HIS A 137 HIS^? A 208 ASP A 140 ASP~? A 296 SER A 37 SER~?