*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1lio_c01 ADENOSINE KINASE user 2 3 RMSD = 0.66 A TRANSFORM -0.5387 0.7215 -0.4351 0.5719 0.6923 0.4401 -0.6187 0.0117 0.7855 29.751 -86.696 54.869 A 316 ALA B 60 ALA~? A 317 GLY B 59 GLY~? A 318 ASP B 62 ASP~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 2 3 RMSD = 0.72 A TRANSFORM -0.9021 -0.3415 0.2637 -0.3680 0.2902 -0.8833 -0.2251 0.8940 0.3875 96.831 17.026 -113.506 B 250 ALA B 60 ALA~? B 251 GLY B 59 GLY~? B 252 ASP B 62 ASP~? ULMNm 3 1lij_c01 ADENOSINE KINASE user 2 3 RMSD = 0.73 A TRANSFORM 0.6079 -0.7112 -0.3531 0.0993 0.5093 -0.8549 -0.7878 -0.4846 -0.3802 166.735 6.522 103.866 A 316 ALA B 60 ALA~? A 317 GLY B 59 GLY~? A 318 ASP B 62 ASP~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 2 3 RMSD = 0.77 A TRANSFORM 0.2201 -0.6378 0.7381 0.9677 0.2380 -0.0830 0.1227 -0.7325 -0.6696 29.361 -100.898 67.691 A 250 ALA B 60 ALA~? A 251 GLY B 59 GLY~? A 252 ASP B 62 ASP~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 3 3 RMSD = 0.77 A TRANSFORM 0.5244 0.8515 0.0005 -0.8440 0.5198 0.1326 -0.1126 0.0699 -0.9912 -104.163 88.012 111.041 A 316 ALA C 60 ALA~? A 317 GLY C 59 GLY~? A 318 ASP C 62 ASP~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 3 3 RMSD = 0.84 A TRANSFORM 0.5140 -0.1675 -0.8413 0.8041 0.4357 0.4046 -0.2988 0.8844 -0.3586 11.939 -184.617 -52.397 B 250 ALA C 60 ALA~? B 251 GLY C 59 GLY~? B 252 ASP C 62 ASP~? ULMNm 3 1lij_c01 ADENOSINE KINASE user 3 3 RMSD = 0.85 A TRANSFORM -0.0294 -0.7886 0.6142 0.4139 0.5497 0.7256 0.9098 -0.2755 -0.3103 168.926 -120.380 -84.600 A 316 ALA C 60 ALA~? A 317 GLY C 59 GLY~? A 318 ASP C 62 ASP~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 3 3 RMSD = 0.90 A TRANSFORM -0.5280 -0.7312 -0.4319 -0.6632 0.0374 0.7475 0.5304 -0.6812 0.5047 175.906 22.924 -54.033 A 250 ALA C 60 ALA~? A 251 GLY C 59 GLY~? A 252 ASP C 62 ASP~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 1 3 RMSD = 0.97 A TRANSFORM 0.5145 -0.7114 -0.4787 -0.5677 -0.7010 0.4317 0.6427 -0.0497 0.7645 66.857 151.163 -54.581 A 316 ALA A 60 ALA~? A 317 GLY A 59 GLY~? A 318 ASP A 62 ASP~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 4 3 RMSD = 1.00 A TRANSFORM -0.5630 -0.8064 0.1812 0.7142 -0.3643 0.5977 0.4159 -0.4659 -0.7810 139.781 -8.631 118.164 A 316 ALA D 60 ALA~? A 317 GLY D 59 GLY~? A 318 ASP D 62 ASP~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 4 3 RMSD = 1.03 A TRANSFORM -0.2084 -0.2293 -0.9508 -0.9205 -0.2825 0.2699 0.3305 -0.9315 0.1522 109.668 44.004 31.718 B 250 ALA D 60 ALA~? B 251 GLY D 59 GLY~? B 252 ASP D 62 ASP~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.04 A TRANSFORM 0.9161 0.3173 0.2450 0.3341 -0.2667 -0.9040 0.2214 -0.9101 0.3503 -133.039 3.135 16.203 B 250 ALA A 60 ALA~? B 251 GLY A 59 GLY~? B 252 ASP A 62 ASP~? ULMNm 3 1lij_c01 ADENOSINE KINASE user 4 3 RMSD = 1.05 A TRANSFORM -0.1045 0.9711 0.2147 -0.6584 -0.2293 0.7169 -0.7454 0.0665 -0.6633 25.872 38.246 67.605 A 316 ALA D 60 ALA~? A 317 GLY D 59 GLY~? A 318 ASP D 62 ASP~? ULMNm 3 1lij_c01 ADENOSINE KINASE user 1 3 RMSD = 1.05 A TRANSFORM -0.6094 0.7304 -0.3084 -0.1381 -0.4808 -0.8659 0.7807 0.4851 -0.3938 142.653 120.480 -133.211 A 316 ALA A 60 ALA~? A 317 GLY A 59 GLY~? A 318 ASP A 62 ASP~? ULMNm 3 1bhg_c04 BETA-GLUCURONIDASE user 2 3 RMSD = 1.07 A TRANSFORM 0.9900 0.1141 -0.0830 0.1285 -0.4874 0.8637 -0.0581 0.8657 0.4972 -51.361 64.199 -41.823 A 382 ARG A 115 ARG~? A 451 GLU A 30 GLU.? A 540 GLU A 36 GLU~? ULMNm 3 1bhg_c04 BETA-GLUCURONIDASE user 5 3 RMSD = 1.07 A TRANSFORM 0.6654 0.1314 -0.7348 -0.7192 0.3765 -0.5839 -0.1999 -0.9171 -0.3450 17.672 158.658 182.371 A 382 ARG C 115 ARG~? A 451 GLU C 30 GLU~? A 540 GLU C 36 GLU~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 4 3 RMSD = 1.07 A TRANSFORM 0.6889 0.5217 -0.5031 0.3885 0.3202 0.8640 -0.6119 0.7908 -0.0178 -41.045 -124.738 -60.420 A 250 ALA D 60 ALA~? A 251 GLY D 59 GLY~? A 252 ASP D 62 ASP~? ULMNm 3 1bhg_c04 BETA-GLUCURONIDASE user 6 3 RMSD = 1.09 A TRANSFORM -0.6635 -0.1775 -0.7268 0.6996 -0.4914 -0.5186 0.2651 0.8526 -0.4503 170.824 105.781 -18.105 A 382 ARG D 115 ARG~? A 451 GLU D 30 GLU~? A 540 GLU D 36 GLU~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.09 A TRANSFORM -0.1831 0.6176 0.7649 -0.9742 -0.2187 -0.0566 -0.1323 0.7555 -0.6417 -50.629 121.556 -50.314 A 250 ALA A 60 ALA~? A 251 GLY A 59 GLY~? A 252 ASP A 62 ASP~? ULMNm 3 1o8s_p00 PUTATIVE ENDO-XYLANASE user 8 3 RMSD = 1.12 A TRANSFORM 0.4203 -0.6087 -0.6729 -0.8166 -0.5771 0.0120 0.3957 -0.5445 0.7396 49.928 176.891 19.486 A 56 TYR D 174 TYR~? A 112 PHE D 113 PHE~? A 140 ASN D 29 ASN~? ULMNm 3 1bhg_c05 BETA-GLUCURONIDASE user 2 3 RMSD = 1.14 A TRANSFORM 0.4984 0.2066 -0.8420 0.8252 -0.4109 0.3876 0.2658 0.8880 0.3753 39.433 -40.430 11.218 B 382 ARG C 115 ARG~? B 451 GLU C 30 GLU~? B 540 GLU C 36 GLU~? ULMNm 3 1bhg_c05 BETA-GLUCURONIDASE user 1 3 RMSD = 1.15 A TRANSFORM 0.9949 0.0082 0.1003 0.0779 0.5677 -0.8195 0.0636 -0.8232 -0.5642 -48.003 19.460 240.955 B 382 ARG A 115 ARG~? B 451 GLU A 30 GLU.? B 540 GLU A 36 GLU~? ULMNm 3 1bhg_c05 BETA-GLUCURONIDASE user 3 3 RMSD = 1.15 A TRANSFORM -0.5006 -0.2766 -0.8203 -0.8003 0.5091 0.3167 -0.3300 -0.8151 0.4762 177.763 27.535 217.768 B 382 ARG D 115 ARG~? B 451 GLU D 30 GLU~? B 540 GLU D 36 GLU~? ULMNm 3 1o8s_p00 PUTATIVE ENDO-XYLANASE user 2 3 RMSD = 1.16 A TRANSFORM 0.5390 -0.4772 0.6940 0.5833 -0.3829 -0.7163 -0.6076 -0.7910 -0.0720 -69.971 72.077 180.263 A 56 TYR A 174 TYR~? A 112 PHE A 113 PHE~? A 140 ASN A 29 ASN.? ULMNm 3 1o8s_p00 PUTATIVE ENDO-XYLANASE user 4 3 RMSD = 1.19 A TRANSFORM -0.5258 0.4939 0.6925 -0.6007 0.3609 -0.7134 0.6023 0.7911 -0.1069 -62.343 112.785 -77.006 A 56 TYR B 174 TYR~? A 112 PHE B 113 PHE~? A 140 ASN B 29 ASN~? ULMNm 3 1hto_c00 GLUTAMINE SYNTHETASE user 5 3 RMSD = 1.21 A TRANSFORM -0.3463 -0.0086 0.9381 0.6311 -0.7420 0.2262 -0.6941 -0.6703 -0.2624 51.219 58.801 276.403 A 50 ASP A 159 ASP~? A 327 GLU B 137 GLU~? A 339 ARG D 136 ARG~? ULMNm 3 1o8s_p00 PUTATIVE ENDO-XYLANASE user 6 3 RMSD = 1.25 A TRANSFORM -0.3663 0.5331 -0.7626 0.7868 0.6150 0.0520 -0.4967 0.5810 0.6447 18.410 -83.196 4.882 A 56 TYR C 174 TYR~? A 112 PHE C 113 PHE~? A 140 ASN C 29 ASN~? ULMNm 3 1hto_c00 GLUTAMINE SYNTHETASE user 14 3 RMSD = 1.27 A TRANSFORM 0.1485 0.8472 0.5101 0.4998 0.3808 -0.7779 0.8533 -0.3704 0.3669 -32.488 1.067 64.830 A 50 ASP D 180 ASP~? A 327 GLU C 92 GLU~? A 339 ARG C 89 ARG~? ULMNm 3 1kqf_c03 FORMATE DEHYDROGENASE, NITRATE-INDUCuser 9 3 RMSD = 1.30 A TRANSFORM -0.0033 -0.1350 0.9908 0.8336 -0.5477 -0.0718 -0.5524 -0.8257 -0.1143 -36.139 55.649 249.835 A 94 LYS D 153 LYS~? A 197 HIS D 55 HIS~? A 446 ARG D 89 ARG~? ULMNm 3 1hrk_c00 FERROCHELATASE user 2 3 RMSD = 1.30 A TRANSFORM -0.1336 0.3481 -0.9279 0.9229 0.3849 0.0115 -0.3611 0.8548 0.3727 9.925 -129.197 -79.034 A 263 HIS A 55 HIS~? A 341 HIS A 48 HIS~? A 343 GLU A 92 GLU~? ULMNm 3 1kqf_c03 FORMATE DEHYDROGENASE, NITRATE-INDUCuser 6 3 RMSD = 1.31 A TRANSFORM -0.0567 0.2691 0.9615 -0.8411 0.5060 -0.1912 0.5379 0.8195 -0.1976 -63.403 118.755 -0.142 A 94 LYS C 153 LYS~? A 197 HIS C 55 HIS~? A 446 ARG C 89 ARG~? ULMNm 3 1hrk_c00 FERROCHELATASE user 8 3 RMSD = 1.31 A TRANSFORM -0.8389 0.1914 0.5094 -0.5278 -0.0578 -0.8474 0.1328 0.9798 -0.1496 -5.666 104.630 -117.745 A 263 HIS D 55 HIS~? A 341 HIS D 48 HIS~? A 343 GLU D 92 GLU~? ULMNm 3 1hrk_c00 FERROCHELATASE user 4 3 RMSD = 1.31 A TRANSFORM 0.1564 -0.3075 -0.9386 -0.9073 -0.4203 -0.0135 0.3903 -0.8537 0.3448 47.741 117.295 12.201 A 263 HIS B 55 HIS~? A 341 HIS B 48 HIS~? A 343 GLU B 92 GLU~? ULMNm 3 1hrk_c01 FERROCHELATASE user 2 3 RMSD = 1.31 A TRANSFORM 0.1462 -0.3356 0.9306 -0.9160 -0.4012 -0.0007 -0.3736 0.8523 0.3661 -11.277 129.722 -77.215 B 263 HIS A 55 HIS~? B 341 HIS A 48 HIS~? B 343 GLU A 92 GLU~? ULMNm 3 1hrk_c01 FERROCHELATASE user 8 3 RMSD = 1.31 A TRANSFORM 0.8323 -0.1841 -0.5228 0.5385 0.0447 0.8414 0.1315 0.9819 -0.1364 7.572 -103.526 -118.778 B 263 HIS D 55 HIS~? B 341 HIS D 48 HIS~? B 343 GLU D 92 GLU~? ULMNm 3 1hrk_c01 FERROCHELATASE user 4 3 RMSD = 1.31 A TRANSFORM -0.1688 0.2946 0.9406 0.8996 0.4361 0.0249 0.4028 -0.8503 0.3386 -44.361 -118.484 11.159 B 263 HIS B 55 HIS~? B 341 HIS B 48 HIS~? B 343 GLU B 92 GLU~? ULMNm 3 1bs4_c02 PEPTIDE DEFORMYLASE user 1 3 RMSD = 1.33 A TRANSFORM -0.1447 -0.0410 0.9886 -0.6311 -0.7657 -0.1241 -0.7621 0.6419 -0.0849 15.366 204.546 81.585 C1050 GLN A 27 GLN~? C1091 LEU A 26 LEU~? C1133 GLU A 28 GLU~? ULMNm 3 1hrk_c00 FERROCHELATASE user 6 3 RMSD = 1.33 A TRANSFORM 0.7064 -0.2370 0.6670 0.6495 -0.1576 -0.7438 -0.2814 -0.9586 -0.0426 -116.178 -8.808 100.358 A 263 HIS C 55 HIS~? A 341 HIS C 48 HIS~? A 343 GLU C 92 GLU~? ULMNm 3 1bs4_c01 PEPTIDE DEFORMYLASE user 2 3 RMSD = 1.33 A TRANSFORM 0.5121 0.6419 -0.5708 -0.2315 -0.5368 -0.8114 0.8272 -0.5476 0.1263 -0.568 191.873 -2.690 B 550 GLN A 27 GLN~? B 591 LEU A 26 LEU~? B 633 GLU A 28 GLU~? ULMNm 3 1qho_c07 ALPHA-AMYLASE user 1 3 RMSD = 1.33 A TRANSFORM -0.7879 -0.0111 -0.6158 -0.5285 -0.5011 0.6853 0.3161 -0.8653 -0.3889 166.833 152.656 122.322 A 228 ASP A 35 ASP~? A 260 ASP A 114 ASP~? A 329 ASP A 42 ASP~? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 9 3 RMSD = 1.33 A TRANSFORM -0.0937 0.5108 0.8546 -0.3254 -0.8269 0.4586 -0.9409 0.2352 -0.2437 -50.186 137.962 13.294 D 465 GLY B 80 GLY~? D 501 ASP D 139 ASP~? E 367 TYR D 177 TYR~? ULMNm 3 1bs4_c00 PEPTIDE DEFORMYLASE user 4 3 RMSD = 1.33 A TRANSFORM -0.7984 -0.6006 -0.0425 0.3842 -0.5626 0.7321 0.4636 -0.5682 -0.6799 140.773 12.573 141.448 A 50 GLN B 27 GLN~? A 91 LEU B 26 LEU~? A 133 GLU B 24 GLU~? ULMNm 3 1hrk_c01 FERROCHELATASE user 6 3 RMSD = 1.34 A TRANSFORM -0.6973 0.2277 -0.6797 -0.6577 0.1737 0.7329 -0.2850 -0.9581 -0.0286 118.035 9.234 99.815 B 263 HIS C 55 HIS~? B 341 HIS C 48 HIS~? B 343 GLU C 92 GLU~? ULMNm 3 1bs4_c00 PEPTIDE DEFORMYLASE user 1 3 RMSD = 1.34 A TRANSFORM 0.3991 0.5444 0.7378 -0.6021 -0.4513 0.6587 -0.6915 0.7071 -0.1477 -120.733 117.496 94.201 A 50 GLN A 27 GLN~? A 91 LEU A 26 LEU~? A 133 GLU A 28 GLU~? ULMNm 3 1qho_c07 ALPHA-AMYLASE user 8 3 RMSD = 1.35 A TRANSFORM -0.0209 -0.0791 0.9967 -0.9629 0.2697 0.0012 0.2689 0.9597 0.0818 1.121 167.857 -64.578 A 228 ASP C 35 ASP~? A 260 ASP C 114 ASP~? A 329 ASP C 42 ASP~? ULMNm 3 1qho_c07 ALPHA-AMYLASE user 4 3 RMSD = 1.35 A TRANSFORM 0.7915 0.0549 -0.6086 0.4946 0.5274 0.6908 -0.3589 0.8478 -0.3903 15.448 -40.318 24.515 A 228 ASP B 35 ASP~? A 260 ASP B 114 ASP~? A 329 ASP B 42 ASP~? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 17 3 RMSD = 1.36 A TRANSFORM -0.7400 0.3558 -0.5707 0.0644 -0.8072 -0.5868 0.6695 0.4710 -0.5744 119.833 158.587 -133.740 D 465 GLY C 80 GLY~? D 501 ASP A 139 ASP~? E 367 TYR A 177 TYR~? ULMNm 3 2r11_o02 CARBOXYLESTERASE NP user 27 3 RMSD = 1.36 A TRANSFORM 0.2107 -0.1341 -0.9683 0.9773 0.0063 0.2118 0.0223 0.9910 -0.1323 21.991 -55.957 -22.986 C 130 SER C 116 SER~? C 166 PHE C 155 PHE~? C 182 PHE C 108 PHE~? ULMNm 3 2odj_o00 PORIN D user 1 3 RMSD = 1.36 A TRANSFORM 0.0138 -0.9477 -0.3188 -0.4463 0.2795 -0.8501 -0.8948 -0.1540 0.4192 99.449 87.533 85.209 A 156 HIS B 100 HIS~? A 208 ASP B 49 ASP~? A 296 SER B 111 SER~? ULMNm 3 1qho_c07 ALPHA-AMYLASE user 12 3 RMSD = 1.37 A TRANSFORM -0.0314 0.1910 0.9811 0.9539 -0.2875 0.0865 -0.2985 -0.9386 0.1732 -25.631 37.463 159.450 A 228 ASP D 35 ASP~? A 260 ASP D 114 ASP~? A 329 ASP D 42 ASP~? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 9 3 RMSD = 1.37 A TRANSFORM 0.1497 0.9746 0.1665 0.2943 0.1169 -0.9486 0.9439 -0.1910 0.2693 -98.217 31.692 -84.486 A 465 GLY B 80 GLY~? A 501 ASP D 139 ASP~? B 367 TYR D 177 TYR~? ULMNm 3 1bs4_c02 PEPTIDE DEFORMYLASE user 4 3 RMSD = 1.37 A TRANSFORM -0.2604 -0.7746 0.5763 0.8139 0.1451 0.5627 0.5194 -0.6156 -0.5927 102.303 -66.023 111.901 C1050 GLN B 27 GLN~? C1091 LEU B 26 LEU~? C1133 GLU B 24 GLU~? ULMNm 3 2r11_o00 CARBOXYLESTERASE NP user 27 3 RMSD = 1.37 A TRANSFORM -0.1689 -0.5391 0.8251 -0.9774 -0.0163 -0.2107 -0.1271 0.8421 0.5242 -17.397 158.185 10.817 A 130 SER C 116 SER~? A 166 PHE C 155 PHE~? A 182 PHE C 108 PHE~? ULMNm 3 2r11_o02 CARBOXYLESTERASE NP user 17 3 RMSD = 1.38 A TRANSFORM -0.8334 -0.3244 0.4473 -0.4191 -0.1564 -0.8943 -0.3601 0.9329 0.0056 48.707 162.133 -0.515 C 130 SER B 116 SER~? C 166 PHE B 155 PHE~? C 182 PHE B 108 PHE~? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 2 3 RMSD = 1.39 A TRANSFORM 0.1125 -0.4704 0.8753 0.2511 0.8657 0.4330 0.9614 -0.1710 -0.2155 22.357 -69.849 -127.243 D 465 GLY A 80 GLY~? D 501 ASP C 139 ASP~? E 367 TYR C 177 TYR~? ULMNm 3 1bsj_c00 PEPTIDE DEFORMYLASE user 4 3 RMSD = 1.39 A TRANSFORM -0.5632 0.4444 -0.6967 -0.0912 -0.8714 -0.4821 0.8213 0.2080 -0.5312 86.308 168.487 46.287 A 50 GLN B 27 GLN~? A 91 LEU B 26 LEU~? A 133 GLU B 24 GLU~? ULMNm 3 2r11_o00 CARBOXYLESTERASE NP user 17 3 RMSD = 1.39 A TRANSFORM 0.8658 -0.3575 -0.3502 0.4224 0.1468 0.8944 0.2683 0.9223 -0.2781 -50.946 -60.097 8.928 A 130 SER B 116 SER~? A 166 PHE B 155 PHE~? A 182 PHE B 108 PHE~? ULMNm 3 1bs4_c01 PEPTIDE DEFORMYLASE user 5 3 RMSD = 1.40 A TRANSFORM -0.3946 0.3667 -0.8425 0.6788 0.7343 0.0017 -0.6193 0.5712 0.5387 144.658 -54.246 1.689 B 550 GLN B 27 GLN~? B 591 LEU B 26 LEU~? B 633 GLU B 24 GLU~? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 17 3 RMSD = 1.40 A TRANSFORM -0.4815 0.8735 0.0718 0.5235 0.2209 0.8229 -0.7029 -0.4338 0.5636 -14.836 -110.928 69.332 A 465 GLY C 80 GLY~? A 501 ASP A 139 ASP~? B 367 TYR A 177 TYR~? ULMNm 3 2isd_c01 PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPuser 1 3 RMSD = 1.41 A TRANSFORM -0.5896 0.3422 -0.7316 -0.3738 0.6874 0.6227 -0.7160 -0.6406 0.2774 140.102 -33.358 111.053 B 311 HIS A 48 HIS~? B 341 GLU A 92 GLU~? B 356 HIS A 100 HIS~? ULMNm 3 2r11_o02 CARBOXYLESTERASE NP user 36 3 RMSD = 1.42 A TRANSFORM -0.1481 0.0365 -0.9883 -0.9886 0.0238 0.1490 -0.0290 -0.9990 -0.0326 43.761 127.302 162.119 C 130 SER D 116 SER~? C 166 PHE D 155 PHE~? C 182 PHE D 108 PHE~? ULMNm 3 2isd_c00 PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPuser 1 3 RMSD = 1.42 A TRANSFORM -0.9066 -0.3189 -0.2764 -0.4206 0.7366 0.5296 -0.0347 -0.5964 0.8019 270.347 -30.282 49.615 A 311 HIS A 48 HIS~? A 341 GLU A 92 GLU~? A 356 HIS A 100 HIS~? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 2 3 RMSD = 1.43 A TRANSFORM -0.0790 -0.9765 0.2008 -0.2627 -0.1739 -0.9491 -0.9616 0.1277 0.2428 102.214 108.167 64.425 A 465 GLY A 80 GLY~? A 501 ASP C 139 ASP~? B 367 TYR C 177 TYR~? ULMNm 3 2r11_o00 CARBOXYLESTERASE NP user 36 3 RMSD = 1.43 A TRANSFORM 0.1254 0.6189 0.7754 0.9888 -0.0139 -0.1489 0.0814 -0.7854 0.6137 -152.645 -26.909 136.398 A 130 SER D 116 SER~? A 166 PHE D 155 PHE~? A 182 PHE D 108 PHE~? ULMNm 3 2isd_c01 PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPuser 3 3 RMSD = 1.44 A TRANSFORM 0.6223 -0.3020 -0.7222 0.4055 -0.6647 0.6275 0.6696 0.6833 0.2912 89.757 20.172 -142.899 B 311 HIS B 48 HIS~? B 341 GLU B 92 GLU~? B 356 HIS B 100 HIS~? ULMNm 3 2isd_c01 PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPuser 7 3 RMSD = 1.45 A TRANSFORM -0.3169 0.4642 0.8271 0.5512 0.7998 -0.2377 0.7719 -0.3805 0.5094 -0.811 -82.380 -61.160 B 311 HIS D 48 HIS~? B 341 GLU D 92 GLU~? B 356 HIS D 100 HIS~? ULMNm 3 2isd_c00 PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPuser 3 3 RMSD = 1.45 A TRANSFORM 0.8892 0.3764 -0.2600 0.4571 -0.7105 0.5350 -0.0166 0.5946 0.8039 38.675 23.260 -65.941 A 311 HIS B 48 HIS~? A 341 GLU B 92 GLU~? A 356 HIS B 100 HIS~? ULMNm 3 1hto_c00 GLUTAMINE SYNTHETASE user 6 3 RMSD = 1.45 A TRANSFORM 0.6853 0.1591 -0.7107 -0.0428 0.9830 0.1788 -0.7270 0.0921 -0.6804 54.304 -58.850 227.757 A 50 ASP A 159 ASP~? A 327 GLU D 137 GLU~? A 339 ARG B 136 ARG~? ULMNm 3 1bsj_c00 PEPTIDE DEFORMYLASE user 1 3 RMSD = 1.45 A TRANSFORM 0.6929 0.5373 -0.4809 -0.3594 0.8355 0.4157 -0.6251 0.1152 -0.7720 -69.802 -18.405 195.373 A 50 GLN A 27 GLN~? A 91 LEU A 26 LEU~? A 133 GLU A 28 GLU~? ULMNm 3 2r11_o02 CARBOXYLESTERASE NP user 8 3 RMSD = 1.45 A TRANSFORM 0.8299 0.2453 0.5012 0.4576 0.2148 -0.8628 0.3193 -0.9453 -0.0660 -160.154 40.779 117.509 C 130 SER A 116 SER~? C 166 PHE A 155 PHE~? C 182 PHE A 108 PHE~? ULMNm 3 2isd_c00 PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPuser 7 3 RMSD = 1.45 A TRANSFORM 0.3717 -0.0460 0.9272 0.4934 0.8559 -0.1553 0.7864 -0.5152 -0.3408 50.704 -90.724 44.742 A 311 HIS D 48 HIS~? A 341 GLU D 92 GLU~? A 356 HIS D 100 HIS~? ULMNm 3 1bs4_c01 PEPTIDE DEFORMYLASE user 6 3 RMSD = 1.46 A TRANSFORM -0.4218 -0.6093 -0.6714 0.5156 0.4480 -0.7304 -0.7458 0.6543 -0.1252 214.387 35.017 53.067 B 550 GLN B 27 GLN~? B 591 LEU B 26 LEU~? B 633 GLU B 28 GLU~? ULMNm 3 1b57_c00 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 4 3 RMSD = 1.46 A TRANSFORM 0.7408 -0.6520 0.1615 0.1422 0.3872 0.9110 0.6565 0.6519 -0.3796 25.488 -60.071 -9.870 A 109 ASP D 159 ASP~? A 182 GLU D 104 GLU~? A 286 ASN D 163 ASN~? ULMNm 3 2r11_o00 CARBOXYLESTERASE NP user 8 3 RMSD = 1.46 A TRANSFORM -0.8363 0.4263 -0.3448 -0.4607 -0.2054 0.8635 -0.2973 -0.8809 -0.3682 31.101 60.039 235.049 A 130 SER A 116 SER~? A 166 PHE A 155 PHE~? A 182 PHE A 108 PHE~? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 2 3 RMSD = 1.46 A TRANSFORM -0.1358 -0.8349 0.5334 -0.7857 -0.2372 -0.5713 -0.6035 0.4967 0.6238 132.104 234.077 18.361 229 ASP A 42 ASP~? 264 GLU A 94 GLU~? 328 ASP A 49 ASP~? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 7 3 RMSD = 1.47 A TRANSFORM 0.6779 -0.7330 -0.0570 0.0583 -0.0238 0.9980 0.7329 0.6798 -0.0266 92.830 36.575 -87.083 229 ASP D 42 ASP~? 264 GLU D 94 GLU~? 328 ASP D 49 ASP~? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 5 3 RMSD = 1.47 A TRANSFORM -0.6960 0.6963 -0.1755 -0.1070 0.1410 0.9842 -0.7100 -0.7038 0.0236 92.889 40.679 172.504 229 ASP C 42 ASP~? 264 GLU C 94 GLU~? 328 ASP C 49 ASP~? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 3 3 RMSD = 1.48 A TRANSFORM 0.0831 0.8403 0.5358 0.7821 0.2781 -0.5576 0.6176 -0.4654 0.6341 -46.869 41.044 -6.059 229 ASP B 42 ASP~? 264 GLU B 94 GLU~? 328 ASP B 49 ASP~? ULMNm 3 1bs4_c01 PEPTIDE DEFORMYLASE user 1 3 RMSD = 1.48 A TRANSFORM 0.5633 -0.4026 -0.7215 -0.6660 -0.7381 -0.1081 0.4891 -0.5414 0.6839 112.116 215.064 -2.578 B 550 GLN A 27 GLN~? B 591 LEU A 26 LEU~? B 633 GLU A 24 GLU~? ULMNm 3 2isd_c01 PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPuser 5 3 RMSD = 1.49 A TRANSFORM 0.2834 -0.3547 0.8910 -0.5175 -0.8388 -0.1693 -0.8074 0.4131 0.4212 19.459 164.763 17.481 B 311 HIS C 48 HIS~? B 341 GLU C 92 GLU~? B 356 HIS C 100 HIS~? ULMNm 3 1qrz_c20 PLASMINOGEN user 2 3 RMSD = 1.49 A TRANSFORM 0.2744 -0.6840 -0.6759 0.4468 -0.5317 0.7195 0.8515 0.4994 -0.1598 41.449 -26.274 -63.984 A 603 HIS B 55 HIS~? A 646 ASP B 49 ASP~? A 739 GLY B 59 GLY~? ULMNm 3 2isd_c00 PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPuser 5 3 RMSD = 1.50 A TRANSFORM -0.4221 0.1423 0.8953 -0.4629 -0.8830 -0.0779 -0.7795 0.4473 -0.4386 111.543 155.173 103.945 A 311 HIS C 48 HIS~? A 341 GLU C 92 GLU~? A 356 HIS C 100 HIS~?