*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 2io9_o00 BIFUNCTIONAL GLUTATHIONYLSPERMIDINE user 2 3 RMSD = 0.37 A TRANSFORM 0.5128 0.0027 0.8585 -0.5707 0.7481 0.3386 0.6413 0.6636 -0.3852 -14.277 -51.306 -29.189 A 59 CYH B 128 CYH~? A 131 HIS B 49 HIS^? A 147 GLU B 64 GLU^? ULMNm 3 2io9_o01 BIFUNCTIONAL GLUTATHIONYLSPERMIDINE user 2 3 RMSD = 0.37 A TRANSFORM -0.0082 0.8909 0.4542 0.8724 -0.2157 0.4387 -0.4888 -0.3998 0.7754 -68.168 0.412 49.977 B 59 CYH B 128 CYH~? B 131 HIS B 49 HIS^? B 147 GLU B 64 GLU^? ULMNm 3 2io9_o00 BIFUNCTIONAL GLUTATHIONYLSPERMIDINE user 1 3 RMSD = 0.38 A TRANSFORM 0.5024 -0.0127 -0.8645 -0.5732 -0.7535 -0.3221 0.6473 -0.6573 0.3858 20.791 6.885 -26.344 A 59 CYH A 128 CYH~? A 131 HIS A 49 HIS^? A 147 GLU A 64 GLU^? ULMNm 3 2io8_o00 BIFUNCTIONAL GLUTATHIONYLSPERMIDINE user 2 3 RMSD = 0.38 A TRANSFORM 0.5220 0.0056 0.8530 -0.5804 0.7351 0.3503 0.6251 0.6779 -0.3869 -14.347 -50.981 -29.519 A 59 CYH B 128 CYH~? A 131 HIS B 49 HIS^? A 147 GLU B 64 GLU^? ULMNm 3 2io8_o00 BIFUNCTIONAL GLUTATHIONYLSPERMIDINE user 1 3 RMSD = 0.38 A TRANSFORM 0.5118 -0.0156 -0.8590 -0.5829 -0.7409 -0.3338 0.6312 -0.6715 0.3883 20.457 7.314 -25.902 A 59 CYH A 128 CYH~? A 131 HIS A 49 HIS^? A 147 GLU A 64 GLU^? ULMNm 3 2io9_o01 BIFUNCTIONAL GLUTATHIONYLSPERMIDINE user 1 3 RMSD = 0.39 A TRANSFORM -0.0117 -0.8966 -0.4427 0.8665 0.2119 -0.4519 -0.4990 0.3889 -0.7744 -5.388 0.276 76.105 B 59 CYH A 128 CYH~? B 131 HIS A 49 HIS^? B 147 GLU A 64 GLU^? ULMNm 3 2io8_o01 BIFUNCTIONAL GLUTATHIONYLSPERMIDINE user 2 3 RMSD = 0.42 A TRANSFORM -0.0405 0.8871 0.4598 0.8720 -0.1934 0.4497 -0.4879 -0.4192 0.7657 -67.600 -0.691 51.192 B 59 CYH B 128 CYH~? B 131 HIS B 49 HIS^? B 147 GLU B 64 GLU^? ULMNm 3 2io8_o01 BIFUNCTIONAL GLUTATHIONYLSPERMIDINE user 1 3 RMSD = 0.42 A TRANSFORM -0.0441 -0.8933 -0.4472 0.8662 0.1888 -0.4626 -0.4977 0.4078 -0.7655 -4.304 0.728 75.963 B 59 CYH A 128 CYH~? B 131 HIS A 49 HIS^? B 147 GLU A 64 GLU^? ULMNm 3 2iob_o00 BIFUNCTIONAL GLUTATHIONYLSPERMIDINE user 1 3 RMSD = 0.46 A TRANSFORM -0.6878 0.6433 -0.3364 -0.6393 -0.7563 -0.1392 0.3439 -0.1194 -0.9314 73.806 2.463 53.159 A 59 CYH A 128 CYH~? A 131 HIS A 49 HIS^? A 147 GLU A 64 GLU^? ULMNm 3 2iob_o00 BIFUNCTIONAL GLUTATHIONYLSPERMIDINE user 2 3 RMSD = 0.46 A TRANSFORM -0.6821 -0.6489 0.3371 -0.6393 0.7530 0.1561 0.3551 0.1090 0.9285 77.794 -47.987 7.724 A 59 CYH B 128 CYH~? A 131 HIS B 49 HIS^? A 147 GLU B 64 GLU^? ULMNm 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 2 3 RMSD = 0.99 A TRANSFORM -0.0425 -0.7863 0.6164 0.9040 0.2325 0.3589 0.4255 -0.5725 -0.7009 3.671 67.568 24.608 193 ASP A 116 ASP.? 231 ASP A 186 ASP~? 294 ASP A 123 ASP.? ULMNm 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 5 3 RMSD = 1.02 A TRANSFORM -0.0488 0.7963 -0.6029 0.9032 -0.2225 -0.3670 0.4264 0.5624 0.7084 -3.838 107.836 -29.421 193 ASP B 116 ASP.? 231 ASP B 186 ASP~? 294 ASP B 123 ASP.? ULMNm 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 1 3 RMSD = 1.11 A TRANSFORM 0.6287 -0.7037 -0.3308 0.2689 -0.2025 0.9416 0.7297 0.6810 -0.0620 62.274 -19.091 -19.100 A 261 GLY A 51 GLY^? B 17 GLN A 29 GLN^? B 140 GLU A 64 GLU^? ULMNm 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 4 3 RMSD = 1.12 A TRANSFORM 0.6417 0.6936 0.3274 0.2533 0.2113 -0.9440 0.7240 -0.6887 0.0402 22.830 20.749 20.012 A 261 GLY B 51 GLY^? B 17 GLN B 29 GLN^? B 140 GLU B 64 GLU^? ULMNm 3 2amg_c02 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 3 3 RMSD = 1.21 A TRANSFORM 0.4737 0.6596 -0.5836 0.6125 -0.7229 -0.3199 0.6329 0.2059 0.7463 -3.540 136.773 -14.190 193 ASP B 116 ASP.? 219 GLU B 130 GLU~? 294 ASP B 123 ASP.? ULMNm 3 1bf2_c00 ISOAMYLASE user 1 3 RMSD = 1.21 A TRANSFORM -0.9145 -0.0920 -0.3940 -0.3687 0.5904 0.7179 -0.1666 -0.8018 0.5739 126.002 57.682 21.629 375 ASP A 116 ASP.? 435 GLU A 130 GLU~? 510 ASP A 123 ASP.? ULMNm 3 2amg_c02 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 1 3 RMSD = 1.22 A TRANSFORM 0.4720 -0.6432 0.6029 0.6099 0.7321 0.3035 0.6366 -0.2244 -0.7378 -8.611 80.185 22.168 193 ASP A 116 ASP.? 219 GLU A 130 GLU~? 294 ASP A 123 ASP.? ULMNm 3 1amy_c05 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 1 3 RMSD = 1.23 A TRANSFORM -0.0463 0.2605 0.9644 0.1216 -0.9568 0.2643 -0.9915 -0.1295 -0.0127 -31.501 48.832 56.026 179 ASP A 116 ASP.? 204 GLU A 130 GLU~? 289 ASP A 123 ASP.? ULMNm 3 1pmi_c00 PHOSPHOMANNOSE ISOMERASE user 1 3 RMSD = 1.24 A TRANSFORM -0.3001 -0.0689 0.9514 -0.2919 0.9562 -0.0228 0.9081 0.2846 0.3071 0.318 17.236 10.049 111 GLN A 29 GLN^? 294 GLU A 64 GLU^? 304 ARG A 32 ARG.? ULMNm 3 1bf2_c00 ISOAMYLASE user 3 3 RMSD = 1.25 A TRANSFORM -0.9159 0.0794 0.3934 -0.3650 -0.5720 -0.7345 -0.1668 0.8164 -0.5529 90.640 113.752 9.212 375 ASP B 116 ASP.? 435 GLU B 130 GLU~? 510 ASP B 123 ASP.? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 1 3 RMSD = 1.25 A TRANSFORM -0.3597 -0.7554 -0.5477 -0.0374 -0.5749 0.8174 0.9323 -0.3145 -0.1785 65.826 35.407 -55.583 D 465 GLY A 24 GLY.? D 501 ASP A 116 ASP.? E 367 TYR B 86 TYR^? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 1 3 RMSD = 1.25 A TRANSFORM -0.1515 -0.0407 -0.9876 0.2865 0.9545 -0.0833 -0.9460 0.2955 0.1329 50.944 6.977 -7.929 A 465 GLY A 24 GLY.? A 501 ASP A 116 ASP.? B 367 TYR B 86 TYR^? ULMNm 3 1bmt_c04 METHIONINE SYNTHASE (B12-BINDING DOMuser 2 3 RMSD = 1.25 A TRANSFORM 0.2074 -0.1450 -0.9674 0.5570 0.8305 -0.0051 -0.8042 0.5378 -0.2531 61.743 24.952 6.764 A 757 ASP B 154 ASP.? A 759 HIS B 44 HIS~? A 810 SER B 156 SER.? ULMNm 3 1amy_c05 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 3 3 RMSD = 1.26 A TRANSFORM -0.0427 -0.2351 -0.9710 0.1196 0.9637 -0.2386 -0.9919 0.1263 0.0130 25.323 18.631 35.841 179 ASP B 116 ASP.? 204 GLU B 130 GLU~? 289 ASP B 123 ASP.? ULMNm 3 1qho_c04 ALPHA-AMYLASE user 1 3 RMSD = 1.28 A TRANSFORM 0.0326 -0.3999 0.9160 -0.9914 -0.1293 -0.0212 -0.1269 0.9074 0.4007 -5.805 96.087 20.884 A 228 ASP A 116 ASP.? A 256 GLU A 130 GLU~? A 329 ASP A 123 ASP.? ULMNm 3 1bmt_c05 METHIONINE SYNTHASE (B12-BINDING DOMuser 2 3 RMSD = 1.28 A TRANSFORM 0.4809 -0.6410 0.5982 -0.8459 -0.5187 0.1242 -0.2307 0.5657 0.7917 14.887 81.339 -40.546 B 757 ASP B 154 ASP.? B 759 HIS B 44 HIS~? B 810 SER B 156 SER.? ULMNm 3 1uok_c03 OLIGO-1,6-GLUCOSIDASE user 1 3 RMSD = 1.28 A TRANSFORM -0.1470 -0.1857 0.9715 0.7268 0.6460 0.2334 0.6710 -0.7404 -0.0400 18.634 11.303 -4.707 199 ASP A 116 ASP.? 255 GLU A 130 GLU~? 329 ASP A 123 ASP.? ULMNm 3 1bmt_c04 METHIONINE SYNTHASE (B12-BINDING DOMuser 1 3 RMSD = 1.30 A TRANSFORM 0.3257 0.1167 0.9382 0.6050 -0.7883 -0.1120 -0.7266 -0.6041 0.3274 4.789 57.218 27.826 A 757 ASP A 154 ASP.? A 759 HIS A 44 HIS~? A 810 SER A 156 SER.? ULMNm 3 1qho_c04 ALPHA-AMYLASE user 3 3 RMSD = 1.30 A TRANSFORM 0.0339 0.4239 -0.9051 -0.9918 0.1256 0.0217 -0.1228 -0.8969 -0.4247 19.245 75.526 80.027 A 228 ASP B 116 ASP.? A 256 GLU B 130 GLU~? A 329 ASP B 123 ASP.? ULMNm 3 1uok_c03 OLIGO-1,6-GLUCOSIDASE user 3 3 RMSD = 1.30 A TRANSFORM -0.1449 0.2107 -0.9668 0.7291 -0.6378 -0.2483 0.6689 0.7408 0.0612 53.760 62.187 -31.670 199 ASP B 116 ASP.? 255 GLU B 130 GLU~? 329 ASP B 123 ASP.? ULMNm 3 1d6o_c00 FK506-BINDING PROTEIN user 1 3 RMSD = 1.31 A TRANSFORM 0.7984 -0.5469 0.2520 -0.0773 0.3218 0.9436 0.5971 0.7729 -0.2147 36.303 -39.899 -27.343 A 37 ASP A 25 ASP.? A 56 ILE A 78 ILE~? A 82 TYR A 86 TYR^? ULMNm 3 3pta_d00 TRANSFERASE/DNA user 2 3 RMSD = 1.32 A TRANSFORM -0.7666 -0.6419 0.0163 0.5472 -0.6665 -0.5063 -0.3358 0.3792 -0.8622 26.215 16.985 48.115 A 682 SER B 36 SER~? A 683 LYS B 37 LYS~? A 684 GLN B 40 GLN~? ULMNm 3 1bmt_c05 METHIONINE SYNTHASE (B12-BINDING DOMuser 1 3 RMSD = 1.32 A TRANSFORM 0.3507 0.7002 -0.6219 -0.8873 0.4608 0.0185 -0.2996 -0.5453 -0.7828 9.689 72.496 27.452 B 757 ASP A 154 ASP.? B 759 HIS A 44 HIS~? B 810 SER A 156 SER.? ULMNm 3 2dbt_c01 CHITINASE C user 2 3 RMSD = 1.33 A TRANSFORM -0.7439 -0.6013 0.2916 -0.3816 0.0240 -0.9240 -0.5486 0.7987 0.2473 44.709 103.773 24.614 B 147 GLU A 176 GLU.? B 156 GLU A 175 GLU.? B 194 ASN A 171 ASN.? ULMNm 3 1m53_c03 ISOMALTULOSE SYNTHASE user 1 3 RMSD = 1.33 A TRANSFORM -0.0290 0.9993 -0.0246 0.7502 0.0056 -0.6611 0.6605 0.0376 0.7499 18.347 41.294 36.859 A 241 ASP A 116 ASP.? A 295 GLU A 130 GLU~? A 369 ASP A 123 ASP.? ULMNm 3 1pmi_c00 PHOSPHOMANNOSE ISOMERASE user 8 3 RMSD = 1.34 A TRANSFORM -0.2860 -0.1261 -0.9499 -0.0053 -0.9911 0.1332 0.9582 -0.0431 -0.2828 45.981 50.311 39.966 111 GLN B 29 GLN^? 294 GLU B 64 GLU^? 304 ARG B 32 ARG.? ULMNm 3 1d6o_c01 FK506-BINDING PROTEIN user 1 3 RMSD = 1.35 A TRANSFORM 0.8005 -0.5464 0.2463 -0.0909 0.2955 0.9510 0.5924 0.7836 -0.1869 39.309 -55.706 -56.016 B 37 ASP A 25 ASP.? B 56 ILE A 78 ILE~? B 82 TYR A 86 TYR^? ULMNm 3 1d6o_c00 FK506-BINDING PROTEIN user 3 3 RMSD = 1.35 A TRANSFORM 0.7839 0.5657 -0.2561 -0.0894 -0.3053 -0.9481 0.6144 -0.7661 0.1887 34.004 19.089 5.990 A 37 ASP B 25 ASP.? A 56 ILE B 78 ILE~? A 82 TYR B 86 TYR^? ULMNm 3 1m53_c03 ISOMALTULOSE SYNTHASE user 3 3 RMSD = 1.36 A TRANSFORM -0.0262 -0.9997 -0.0018 0.7484 -0.0208 0.6629 0.6627 -0.0160 -0.7487 63.069 20.713 82.961 A 241 ASP B 116 ASP.? A 295 GLU B 130 GLU~? A 369 ASP B 123 ASP.? ULMNm 3 2dbt_c01 CHITINASE C user 4 3 RMSD = 1.39 A TRANSFORM -0.7487 0.5973 -0.2875 -0.3869 -0.0416 0.9212 -0.5382 -0.8009 -0.2623 21.118 55.648 66.063 B 147 GLU B 176 GLU.? B 156 GLU B 175 GLU.? B 194 ASN B 171 ASN.? ULMNm 3 1d6o_c01 FK506-BINDING PROTEIN user 3 3 RMSD = 1.39 A TRANSFORM 0.7859 0.5654 -0.2504 -0.1035 -0.2789 -0.9547 0.6097 -0.7762 0.1607 36.779 2.239 -20.927 B 37 ASP B 25 ASP.? B 56 ILE B 78 ILE~? B 82 TYR B 86 TYR^? ULMNm 3 1a05_c00 3-ISOPROPYLMALATE DEHYDROGENASE user 4 3 RMSD = 1.40 A TRANSFORM -0.6950 0.2262 0.6825 0.4007 -0.6663 0.6289 -0.5970 -0.7106 -0.3724 -0.365 -14.635 66.864 A 140 TYR A 127 TYR~? B 190 LYS A 134 LYS~? B 222 ASP A 123 ASP.? ULMNm 3 1js4_c00 ENDO-EXOCELLULASE E4 user 3 3 RMSD = 1.40 A TRANSFORM -0.3613 0.8401 -0.4045 -0.3816 -0.5291 -0.7579 0.8508 0.1194 -0.5118 20.680 83.019 4.739 A 55 ASP B 123 ASP.? A 58 ASP B 124 ASP.? A 424 GLU B 130 GLU~? ULMNm 3 1cdg_c04 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 2 3 RMSD = 1.41 A TRANSFORM 0.0827 0.9953 -0.0496 0.3419 -0.0751 -0.9367 0.9361 -0.0605 0.3466 50.156 113.474 4.518 229 ASP A 123 ASP.? 257 GLU A 130 GLU~? 328 ASP A 116 ASP.? ULMNm 3 1vzz_c00 STEROID DELTA-ISOMERASE user 3 3 RMSD = 1.41 A TRANSFORM -0.3617 0.3326 0.8710 0.0607 0.9406 -0.3340 0.9303 0.0679 0.3604 -22.260 20.489 -26.568 A 16 TYR A 136 TYR~? A 40 ASP A 25 ASP.? A 103 LEU A 103 LEU~? ULMNm 3 1oyg_c00 LEVANSUCRASE user 2 3 RMSD = 1.41 A TRANSFORM 0.9656 -0.0558 -0.2540 -0.2307 0.2674 -0.9356 -0.1201 -0.9620 -0.2453 35.581 31.837 67.685 A 86 ASP B 124 ASP.? A 247 ASP B 116 ASP.? A 342 GLU B 130 GLU~? ULMNm 3 1ald_c00 ALDOLASE A (E.C.4.1.2.13) user 6 3 RMSD = 1.41 A TRANSFORM 0.0275 -0.5788 0.8150 0.4837 0.7212 0.4959 0.8748 -0.3805 -0.2998 -26.493 5.157 58.637 33 ASP B 124 ASP.? 187 GLU B 130 GLU~? 229 LYS B 134 LYS~? ULMNm 3 1cns_c00 CHITINASE user 3 3 RMSD = 1.41 A TRANSFORM -0.0905 -0.7968 -0.5974 0.5938 0.4385 -0.6747 -0.7995 0.4158 -0.4334 20.125 -10.257 61.018 A 67 GLU B 130 GLU~? A 89 GLU B 176 GLU.? A 120 SER B 118 SER.? ULMNm 3 1cdg_c04 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 1 3 RMSD = 1.41 A TRANSFORM -0.9072 0.4053 -0.1128 -0.1848 -0.1431 0.9723 -0.3780 -0.9029 -0.2047 75.287 51.518 56.003 229 ASP A 116 ASP.? 257 GLU A 130 GLU~? 328 ASP A 123 ASP.? ULMNm 3 1cdg_c04 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 4 3 RMSD = 1.42 A TRANSFORM 0.0880 -0.9959 0.0221 0.3411 0.0510 0.9386 0.9359 0.0750 -0.3442 95.024 70.592 30.756 229 ASP B 123 ASP.? 257 GLU B 130 GLU~? 328 ASP B 116 ASP.? ULMNm 3 1a05_c01 3-ISOPROPYLMALATE DEHYDROGENASE user 4 3 RMSD = 1.42 A TRANSFORM 0.6934 -0.2296 -0.6831 0.4017 -0.6638 0.6309 0.5982 0.7118 0.3680 9.151 -14.651 -1.256 A 190 LYS A 134 LYS~? A 222 ASP A 123 ASP.? B 140 TYR A 127 TYR~? ULMNm 3 1cdg_c04 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 3 3 RMSD = 1.42 A TRANSFORM -0.9077 -0.4076 0.0994 -0.1817 0.1682 -0.9689 -0.3782 0.8975 0.2267 76.169 88.117 -0.729 229 ASP B 116 ASP.? 257 GLU B 130 GLU~? 328 ASP B 123 ASP.? ULMNm 3 1a05_c00 3-ISOPROPYLMALATE DEHYDROGENASE user 8 3 RMSD = 1.43 A TRANSFORM -0.6993 -0.2191 -0.6805 0.3912 0.6794 -0.6208 -0.5983 0.7003 0.3894 33.143 -9.962 8.171 A 140 TYR B 127 TYR~? B 190 LYS B 134 LYS~? B 222 ASP B 123 ASP.? ULMNm 3 1vzz_c01 STEROID DELTA-ISOMERASE user 2 3 RMSD = 1.43 A TRANSFORM -0.5310 0.3393 0.7765 -0.0819 -0.9326 0.3516 -0.8434 -0.1231 -0.5230 -12.212 15.455 80.408 B 16 TYR A 136 TYR~? B 40 ASP A 25 ASP.? B 103 LEU A 103 LEU~? ULMNm 3 3qwd_o01 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 RMSD = 1.43 A TRANSFORM -0.7253 -0.6451 -0.2403 0.5519 -0.7535 0.3572 0.4115 -0.1264 -0.9026 102.817 58.753 63.870 B 98 SER B 45 SER.? B 123 HIS B 44 HIS~? B 172 ASP B 154 ASP.? ULMNm 3 1cns_c00 CHITINASE user 1 3 RMSD = 1.43 A TRANSFORM -0.0820 0.8039 0.5890 0.6149 -0.4243 0.6647 -0.7843 -0.4167 0.4595 -44.102 -31.038 68.951 A 67 GLU A 130 GLU~? A 89 GLU A 176 GLU.? A 120 SER A 118 SER.? ULMNm 3 2r11_o00 CARBOXYLESTERASE NP user 1 3 RMSD = 1.43 A TRANSFORM -0.1775 -0.9300 0.3219 -0.3226 0.3640 0.8738 0.9298 -0.0512 0.3646 -46.530 27.356 47.446 A 130 SER A 33 SER.? A 166 PHE A 117 PHE.? A 182 PHE A 119 PHE.? ULMNm 3 3qwd_o07 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 RMSD = 1.43 A TRANSFORM -0.3931 0.7312 -0.5576 -0.5883 -0.6660 -0.4587 0.7067 -0.1477 -0.6919 141.372 92.710 97.649 H 98 SER B 45 SER.? H 123 HIS B 44 HIS~? H 172 ASP B 154 ASP.? ULMNm 3 3qwd_o05 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 RMSD = 1.44 A TRANSFORM 0.8349 0.2906 0.4674 0.0432 0.8120 -0.5820 0.5487 -0.5061 -0.6654 -4.891 51.923 64.327 F 98 SER B 45 SER.? F 123 HIS B 44 HIS~? F 172 ASP B 154 ASP.? ULMNm 3 3qwd_o10 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 RMSD = 1.44 A TRANSFORM 0.7076 -0.3949 0.5860 0.5967 0.7781 -0.1963 0.3785 -0.4886 -0.7862 106.313 -5.566 123.175 K 98 SER B 45 SER.? K 123 HIS B 44 HIS~? K 172 ASP B 154 ASP.? ULMNm 3 3qwd_o11 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 RMSD = 1.44 A TRANSFORM 0.0544 -0.9298 0.3641 0.9409 0.1698 0.2930 0.3343 -0.3266 -0.8841 153.820 -11.353 123.337 L 98 SER B 45 SER.? L 123 HIS B 44 HIS~? L 172 ASP B 154 ASP.? ULMNm 3 2r11_o02 CARBOXYLESTERASE NP user 1 3 RMSD = 1.44 A TRANSFORM -0.4672 0.7410 -0.4824 0.3166 -0.3693 -0.8737 0.8255 0.5609 0.0621 20.500 74.310 25.104 C 130 SER A 33 SER.? C 166 PHE A 117 PHE.? C 182 PHE A 119 PHE.? ULMNm 3 3qwd_o12 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 RMSD = 1.44 A TRANSFORM -0.6141 -0.7677 -0.1831 0.6710 -0.6300 0.3909 0.4154 -0.1172 -0.9020 188.244 22.048 113.936 M 98 SER B 45 SER.? M 123 HIS B 44 HIS~? M 172 ASP B 154 ASP.? ULMNm 3 3qwd_o06 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 RMSD = 1.44 A TRANSFORM 0.5895 -0.5336 0.6064 0.7213 0.6857 -0.0978 0.3636 -0.4951 -0.7891 27.734 18.035 73.947 G 98 SER B 45 SER.? G 123 HIS B 44 HIS~? G 172 ASP B 154 ASP.? ULMNm 3 3qwd_o13 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 RMSD = 1.44 A TRANSFORM -0.8079 -0.0382 -0.5881 -0.0019 -0.9977 0.0675 0.5893 -0.0556 -0.8060 182.810 68.080 102.921 N 98 SER B 45 SER.? N 123 HIS B 44 HIS~? N 172 ASP B 154 ASP.? ULMNm 3 3qwd_o09 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 RMSD = 1.44 A TRANSFORM 0.8100 0.4513 0.3744 -0.1128 0.7465 -0.6558 0.5754 -0.4890 -0.6556 80.116 34.000 112.922 J 98 SER B 45 SER.? J 123 HIS B 44 HIS~? J 172 ASP B 154 ASP.? ULMNm 3 3qwd_o02 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 RMSD = 1.45 A TRANSFORM -0.7939 0.1463 -0.5902 -0.1434 -0.9883 -0.0521 0.5909 -0.0433 -0.8056 89.095 103.478 52.049 C 98 SER B 45 SER.? C 123 HIS B 44 HIS~? C 172 ASP B 154 ASP.? ULMNm 3 3qwd_o00 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 RMSD = 1.45 A TRANSFORM -0.1391 -0.9611 0.2385 0.9149 -0.0326 0.4024 0.3790 -0.2742 -0.8839 77.234 20.418 71.194 A 98 SER B 45 SER.? A 123 HIS B 44 HIS~? A 172 ASP B 154 ASP.? ULMNm 3 3qwd_o00 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 RMSD = 1.45 A TRANSFORM -0.1391 -0.9611 0.2385 0.9149 -0.0326 0.4024 0.3790 -0.2742 -0.8839 77.234 20.418 71.194 A 98 SER B 45 SER.? A 123 HIS B 44 HIS~? A 172 ASP B 154 ASP.? ULMNm 3 1a05_c01 3-ISOPROPYLMALATE DEHYDROGENASE user 8 3 RMSD = 1.45 A TRANSFORM 0.6976 0.2225 0.6811 0.3921 0.6770 -0.6228 0.5997 -0.7015 -0.3850 -24.565 -9.759 57.298 A 190 LYS B 134 LYS~? A 222 ASP B 123 ASP.? B 140 TYR B 127 TYR~? ULMNm 3 3qwd_o03 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 RMSD = 1.45 A TRANSFORM -0.2754 0.8329 -0.4801 -0.6574 -0.5275 -0.5381 0.7014 -0.1674 -0.6928 44.541 119.981 48.114 D 98 SER B 45 SER.? D 123 HIS B 44 HIS~? D 172 ASP B 154 ASP.? ULMNm 3 3qwd_o08 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 RMSD = 1.45 A TRANSFORM 0.3372 0.9317 -0.1348 -0.6102 0.1072 -0.7849 0.7169 -0.3470 -0.6047 96.342 77.514 101.780 I 98 SER B 45 SER.? I 123 HIS B 44 HIS~? I 172 ASP B 154 ASP.? ULMNm 3 1vzz_c00 STEROID DELTA-ISOMERASE user 5 3 RMSD = 1.46 A TRANSFORM -0.3849 -0.3184 -0.8663 0.0642 -0.9456 0.3191 0.9207 -0.0672 -0.3844 29.832 48.838 7.065 A 16 TYR B 136 TYR~? A 40 ASP B 25 ASP.? A 103 LEU B 103 LEU~? ULMNm 3 3qwd_o04 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 RMSD = 1.46 A TRANSFORM 0.4231 0.9058 -0.0237 -0.5617 0.2417 -0.7913 0.7110 -0.3481 -0.6110 2.737 98.491 52.058 E 98 SER B 45 SER.? E 123 HIS B 44 HIS~? E 172 ASP B 154 ASP.? ULMNm 3 1ald_c00 ALDOLASE A (E.C.4.1.2.13) user 2 3 RMSD = 1.46 A TRANSFORM 0.0339 0.5485 -0.8354 0.5014 -0.7325 -0.4606 0.8646 0.4032 0.2999 -13.433 53.777 14.673 33 ASP A 124 ASP.? 187 GLU A 130 GLU~? 229 LYS A 134 LYS~? ULMNm 3 1js4_c00 ENDO-EXOCELLULASE E4 user 1 3 RMSD = 1.47 A TRANSFORM -0.3526 -0.8239 0.4437 -0.3938 0.5608 0.7283 0.8488 -0.0821 0.5222 43.093 28.847 -26.642 A 55 ASP A 123 ASP.? A 58 ASP A 124 ASP.? A 424 GLU A 130 GLU~? ULMNm 3 3qwd_o01 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.48 A TRANSFORM -0.7235 0.5806 0.3734 0.4697 0.8105 -0.3500 0.5058 0.0779 0.8591 68.586 34.565 8.768 B 98 SER A 45 SER.? B 123 HIS A 44 HIS~? B 172 ASP A 154 ASP.? ULMNm 3 3qwd_o07 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.48 A TRANSFORM -0.2903 -0.7949 0.5328 -0.5635 0.5920 0.5762 0.7734 0.1330 0.6198 152.842 45.191 48.625 H 98 SER A 45 SER.? H 123 HIS A 44 HIS~? H 172 ASP A 154 ASP.? ULMNm 3 1vzz_c01 STEROID DELTA-ISOMERASE user 4 3 RMSD = 1.48 A TRANSFORM -0.5520 -0.3257 -0.7676 -0.0860 0.9379 -0.3362 -0.8294 0.1196 0.5458 33.256 -11.978 37.646 B 16 TYR B 136 TYR~? B 40 ASP B 25 ASP.? B 103 LEU B 103 LEU~? ULMNm 3 3qwd_o05 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.48 A TRANSFORM 0.7892 -0.2040 -0.5792 0.1488 -0.8516 0.5026 0.5958 0.4829 0.6418 22.533 61.112 1.436 F 98 SER A 45 SER.? F 123 HIS A 44 HIS~? F 172 ASP A 154 ASP.? ULMNm 3 3qwd_o10 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.48 A TRANSFORM 0.6155 0.4808 -0.6245 0.6526 -0.7552 0.0619 0.4419 0.4457 0.7786 108.623 14.852 57.064 K 98 SER A 45 SER.? K 123 HIS A 44 HIS~? K 172 ASP A 154 ASP.? ULMNm 3 3qwd_o11 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.48 A TRANSFORM -0.0331 0.9573 -0.2871 0.9083 -0.0911 -0.4083 0.4170 0.2743 0.8665 127.214 0.582 60.551 L 98 SER A 45 SER.? L 123 HIS A 44 HIS~? L 172 ASP A 154 ASP.? ULMNm 3 3qwd_o12 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.48 A TRANSFORM -0.6258 0.7134 0.3154 0.5898 0.6974 -0.4071 0.5104 0.0687 0.8572 149.787 4.029 59.254 M 98 SER A 45 SER.? M 123 HIS A 44 HIS~? M 172 ASP A 154 ASP.? ULMNm 3 3qwd_o00 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.48 A TRANSFORM -0.2144 0.9675 -0.1341 0.8578 0.1209 -0.4995 0.4671 0.2221 0.8558 45.033 28.558 10.397 A 98 SER A 45 SER.? A 123 HIS A 44 HIS~? A 172 ASP A 154 ASP.? ULMNm 3 3qwd_o00 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.48 A TRANSFORM -0.2144 0.9675 -0.1341 0.8578 0.1209 -0.4995 0.4671 0.2221 0.8558 45.033 28.558 10.397 A 98 SER A 45 SER.? A 123 HIS A 44 HIS~? A 172 ASP A 154 ASP.? ULMNm 3 3qwd_o13 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.49 A TRANSFORM -0.7358 -0.0560 0.6749 -0.0585 0.9981 0.0191 0.6747 0.0254 0.7377 161.045 24.256 53.941 N 98 SER A 45 SER.? N 123 HIS A 44 HIS~? N 172 ASP A 154 ASP.? ULMNm 3 3qwd_o06 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.49 A TRANSFORM 0.4892 0.6136 -0.6198 0.7604 -0.6481 -0.0414 0.4271 0.4511 0.7836 25.812 37.544 7.551 G 98 SER A 45 SER.? G 123 HIS A 44 HIS~? G 172 ASP A 154 ASP.? ULMNm 3 3qwd_o02 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.49 A TRANSFORM -0.7122 -0.2395 0.6599 -0.1848 0.9708 0.1530 0.6772 0.0130 0.7356 75.785 55.773 3.660 C 98 SER A 45 SER.? C 123 HIS A 44 HIS~? C 172 ASP A 154 ASP.? ULMNm 3 3qwd_o09 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.49 A TRANSFORM 0.7827 -0.3720 -0.4990 0.0000 -0.8017 0.5977 0.6224 0.4678 0.6275 110.848 38.210 51.026 J 98 SER A 45 SER.? J 123 HIS A 44 HIS~? J 172 ASP A 154 ASP.? ULMNm 3 1ehy_c03 SOLUBLE EPOXIDE HYDROLASE user 1 3 RMSD = 1.49 A TRANSFORM 0.3371 -0.4820 -0.8087 0.8189 -0.2736 0.5045 0.4644 0.8323 -0.3025 52.655 2.521 83.544 D 107 ASP A 154 ASP.? D 246 ASP A 186 ASP~? D 275 HIS A 44 HIS~? ULMNm 3 2odj_o01 PORIN D user 1 3 RMSD = 1.49 A TRANSFORM 0.8748 0.4416 0.1991 -0.3937 0.8876 -0.2390 0.2823 -0.1307 -0.9504 -34.882 4.334 97.132 B 156 HIS A 49 HIS^? B 208 ASP A 116 ASP.? B 296 SER A 156 SER.? ULMNm 3 3qwd_o08 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.50 A TRANSFORM 0.3962 -0.9180 0.0140 -0.5083 -0.2066 0.8360 0.7646 0.3384 0.5485 130.013 50.679 47.536 I 98 SER A 45 SER.? I 123 HIS A 44 HIS~? I 172 ASP A 154 ASP.? ULMNm 3 3qwd_o03 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.50 A TRANSFORM -0.1778 -0.8828 0.4348 -0.6164 0.4443 0.6501 0.7671 0.1524 0.6231 63.318 75.876 -1.828 D 98 SER A 45 SER.? D 123 HIS A 44 HIS~? D 172 ASP A 154 ASP.? ULMNm 3 3qwd_o04 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.50 A TRANSFORM 0.4668 -0.8785 -0.1014 -0.4542 -0.3366 0.8249 0.7588 0.3390 0.5561 39.663 77.179 -2.494 E 98 SER A 45 SER.? E 123 HIS A 44 HIS~? E 172 ASP A 154 ASP.?