*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 4 1e6e_c00 ADRENODOXIN user 1 4 RMSD = 1.34 A TRANSFORM -0.8011 -0.5005 0.3282 -0.4631 0.1709 -0.8697 -0.3792 0.8487 0.3687 36.140 37.003 83.159 A 55 HIS A 116 HIS~? A 159 ASP C 448 ASP.? A 376 ILE A 106 ILE~? A 377 THR A 107 THR~? ULMNm 4 1e6e_c01 ADRENODOXIN user 1 4 RMSD = 1.40 A TRANSFORM 0.8948 -0.4459 -0.0229 -0.3766 -0.7261 -0.5753 -0.2400 -0.5234 0.8176 -6.595 57.660 171.747 C 55 HIS A 116 HIS~? C 159 ASP C 448 ASP.? C 376 ILE A 106 ILE~? C 377 THR A 107 THR~? ULMNm 3 1cdg_c04 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 5 3 RMSD = 0.92 A TRANSFORM 0.1311 -0.2537 0.9584 -0.6886 0.6722 0.2721 0.7132 0.6956 0.0866 46.967 81.426 35.480 229 ASP B 244 ASP~? 257 GLU B 235 GLU~? 328 ASP B 249 ASP.? ULMNm 3 1cdg_c04 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 9 3 RMSD = 0.98 A TRANSFORM 0.0298 0.4189 -0.9075 0.3732 -0.8469 -0.3787 0.9273 0.3274 0.1816 13.201 113.466 27.665 229 ASP C 444 ASP~? 257 GLU C 435 GLU~? 328 ASP C 449 ASP.? ULMNm 3 1ti6_c07 PYROGALLOL HYDROXYTRANSFERASE SMALL user 2 3 RMSD = 0.99 A TRANSFORM -0.4420 -0.8441 -0.3035 0.1743 0.2510 -0.9522 -0.8799 0.4738 -0.0362 8.913 68.125 -39.057 C 144 HIS A 116 HIS~? C 174 ASP C 445 ASP.? C 404 TYR A 94 TYR~? ULMNm 3 1ti6_c08 PYROGALLOL HYDROXYTRANSFERASE SMALL user 2 3 RMSD = 0.99 A TRANSFORM -0.2263 0.8137 0.5354 -0.1028 0.5266 -0.8439 0.9686 0.2460 0.0355 -33.132 -139.838 74.190 E 144 HIS A 116 HIS~? E 174 ASP C 445 ASP.? E 404 TYR A 94 TYR~? ULMNm 3 1ti6_c10 PYROGALLOL HYDROXYTRANSFERASE SMALL user 2 3 RMSD = 1.03 A TRANSFORM -0.4178 -0.7187 -0.5558 -0.3026 -0.4668 0.8310 0.8567 -0.5154 0.0225 3.814 9.016 118.484 I 144 HIS A 116 HIS~? I 174 ASP C 445 ASP.? I 404 TYR A 94 TYR~? ULMNm 3 1ti6_c09 PYROGALLOL HYDROXYTRANSFERASE SMALL user 2 3 RMSD = 1.03 A TRANSFORM 0.4773 -0.8779 -0.0379 -0.6822 -0.3430 -0.6457 -0.5539 -0.3340 0.7627 97.314 -102.316 64.442 G 144 HIS A 116 HIS~? G 174 ASP C 445 ASP.? G 404 TYR A 94 TYR~? ULMNm 3 1ti6_c11 PYROGALLOL HYDROXYTRANSFERASE SMALL user 2 3 RMSD = 1.04 A TRANSFORM 0.4904 -0.2282 0.8411 -0.2194 0.9017 0.3725 0.8434 0.3672 -0.3922 124.155 -4.713 -13.750 K 144 HIS A 116 HIS~? K 174 ASP C 445 ASP.? K 404 TYR A 94 TYR~? ULMNm 3 1ti6_c06 PYROGALLOL HYDROXYTRANSFERASE SMALL user 2 3 RMSD = 1.04 A TRANSFORM 0.7107 0.6987 0.0815 -0.5920 0.5315 0.6058 -0.3800 0.4788 -0.7914 -1.201 -94.337 -71.098 A 144 HIS A 116 HIS~? A 174 ASP C 445 ASP.? A 404 TYR A 94 TYR~? ULMNm 3 1cdg_c04 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 1 3 RMSD = 1.06 A TRANSFORM 0.5887 -0.0919 -0.8031 -0.7805 0.1939 -0.5944 -0.2103 -0.9767 -0.0424 23.487 55.022 83.710 229 ASP A 44 ASP.? 257 GLU A 35 GLU~? 328 ASP A 49 ASP.? ULMNm 3 1qho_c04 ALPHA-AMYLASE user 3 3 RMSD = 1.13 A TRANSFORM 0.2952 -0.4837 0.8239 0.2882 0.8673 0.4059 0.9110 -0.1176 -0.3954 83.274 46.676 22.812 A 228 ASP A 49 ASP.? A 256 GLU A 35 GLU~? A 329 ASP A 44 ASP.? ULMNm 3 1b5d_c04 DEOXYCYTIDYLATE HYDROXYMETHYLASE user 4 3 RMSD = 1.14 A TRANSFORM 0.9381 -0.2322 0.2569 -0.3041 -0.1980 0.9318 0.1655 0.9523 0.2564 34.971 47.538 -17.148 A 60 GLU C 433 GLU~? A 148 CYH A 31 CYH~? A 179 ASP A 45 ASP.? ULMNm 3 1uok_c03 OLIGO-1,6-GLUCOSIDASE user 4 3 RMSD = 1.15 A TRANSFORM 0.5456 -0.3595 0.7570 0.2972 -0.7615 -0.5760 -0.7835 -0.5393 0.3087 97.060 50.661 47.075 199 ASP A 49 ASP.? 255 GLU A 35 GLU~? 329 ASP A 44 ASP.? ULMNm 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 8 3 RMSD = 1.16 A TRANSFORM -0.0162 0.5118 0.8589 0.9641 -0.2196 0.1490 -0.2649 -0.8305 0.4899 21.706 114.121 54.640 193 ASP C 448 ASP.? 231 ASP A 49 ASP.? 294 ASP C 444 ASP~? ULMNm 3 1amy_c05 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 2 3 RMSD = 1.16 A TRANSFORM 0.8021 -0.4538 0.3882 -0.5200 -0.2109 0.8277 0.2937 0.8658 0.4051 39.216 103.401 6.993 179 ASP A 49 ASP.? 204 GLU A 35 GLU~? 289 ASP A 44 ASP.? ULMNm 3 1j7g_c00 D-TYROSYL-TRNA(TYR) DEACYLASE user 11 3 RMSD = 1.16 A TRANSFORM -0.2161 -0.9190 -0.3297 0.0818 -0.3535 0.9319 0.9729 -0.1744 -0.1516 56.118 50.321 13.746 A 78 GLN C 426 GLN~? A 79 PHE C 421 PHE~? A 80 THR C 423 THR~? ULMNm 3 1b5d_c05 DEOXYCYTIDYLATE HYDROXYMETHYLASE user 5 3 RMSD = 1.17 A TRANSFORM 0.7179 0.5924 0.3657 0.3127 0.1949 -0.9296 0.6220 -0.7817 0.0453 8.866 -42.639 38.312 B 60 GLU C 433 GLU~? B 148 CYH A 31 CYH~? B 179 ASP A 45 ASP.? ULMNm 3 1bf2_c00 ISOAMYLASE user 2 3 RMSD = 1.17 A TRANSFORM 0.0579 0.9919 0.1127 0.9934 -0.0685 0.0924 -0.0994 -0.1066 0.9893 47.610 82.129 82.131 375 ASP A 49 ASP.? 435 GLU A 35 GLU~? 510 ASP A 44 ASP.? ULMNm 3 1bf2_c00 ISOAMYLASE user 1 3 RMSD = 1.18 A TRANSFORM 0.7174 0.5488 -0.4290 0.3415 -0.8139 -0.4701 0.6072 -0.1907 0.7713 48.505 95.579 78.187 375 ASP A 48 ASP.? 435 GLU A 35 GLU~? 510 ASP A 44 ASP.? ULMNm 3 1j7g_c00 D-TYROSYL-TRNA(TYR) DEACYLASE user 4 3 RMSD = 1.20 A TRANSFORM -0.5383 0.7280 -0.4246 -0.6586 -0.0490 0.7509 -0.5259 -0.6838 -0.5058 -26.436 47.497 24.625 A 78 GLN A 26 GLN~? A 79 PHE A 21 PHE~? A 80 THR A 23 THR~? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 13 3 RMSD = 1.21 A TRANSFORM -0.0992 0.5533 0.8271 -0.4028 0.7377 -0.5418 0.9099 0.3869 -0.1497 15.178 2.603 -32.618 A 465 GLY B 309 GLY.? A 501 ASP B 245 ASP.? B 367 TYR C 447 TYR.? ULMNm 3 1j7g_c00 D-TYROSYL-TRNA(TYR) DEACYLASE user 8 3 RMSD = 1.21 A TRANSFORM -0.9788 0.1906 0.0755 0.0092 0.4086 -0.9127 0.2048 0.8926 0.4017 22.051 17.518 5.334 A 78 GLN B 226 GLN~? A 79 PHE B 221 PHE~? A 80 THR B 223 THR~? ULMNm 3 1bvz_c08 ALPHA-AMYLASE II user 1 3 RMSD = 1.22 A TRANSFORM -0.2292 0.9730 -0.0263 0.3063 0.0977 0.9469 -0.9239 -0.2090 0.3204 -16.013 81.547 80.195 A 325 ASP A 49 ASP.? A 354 GLU A 35 GLU~? A 421 ASP A 45 ASP.? ULMNm 3 1bvz_c08 ALPHA-AMYLASE II user 2 3 RMSD = 1.22 A TRANSFORM -0.9179 -0.3775 -0.1221 0.3017 -0.4644 -0.8327 -0.2576 0.8012 -0.5402 32.883 56.526 55.918 A 325 ASP B 249 ASP.? A 354 GLU B 235 GLU~? A 421 ASP B 245 ASP.? ULMNm 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 1 3 RMSD = 1.23 A TRANSFORM -0.5692 0.0911 -0.8171 -0.3398 -0.9311 0.1329 0.7487 -0.3533 -0.5610 22.199 83.660 14.562 199 ASP A 45 ASP.? 242 GLU C 443 GLU~? 329 ASP A 49 ASP.? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 12 3 RMSD = 1.23 A TRANSFORM 0.2917 -0.2107 0.9330 0.3065 -0.9034 -0.2999 -0.9061 -0.3735 0.1989 45.744 66.623 -32.558 D 465 GLY B 309 GLY.? D 501 ASP B 245 ASP.? E 367 TYR C 447 TYR.? ULMNm 3 1cdg_c04 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 10 3 RMSD = 1.24 A TRANSFORM 0.5502 0.7912 -0.2671 0.7815 -0.6005 -0.1692 0.2943 0.1156 0.9487 8.403 106.023 52.498 229 ASP C 445 ASP.? 257 GLU C 435 GLU~? 328 ASP C 449 ASP.? ULMNm 3 1m53_c03 ISOMALTULOSE SYNTHASE user 2 3 RMSD = 1.25 A TRANSFORM 0.6662 0.0107 -0.7457 -0.7059 -0.3133 -0.6352 0.2404 -0.9496 0.2012 -12.621 24.961 132.551 A 241 ASP A 49 ASP.? A 295 GLU A 35 GLU~? A 369 ASP A 44 ASP.? ULMNm 3 2amg_c02 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 9 3 RMSD = 1.26 A TRANSFORM 0.6518 0.0064 -0.7584 0.1879 0.9674 0.1696 -0.7348 0.2530 -0.6294 28.409 98.620 10.124 193 ASP B 248 ASP.? 219 GLU B 235 GLU~? 294 ASP B 244 ASP~? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 2 3 RMSD = 1.26 A TRANSFORM 0.1041 0.5383 0.8363 -0.4843 0.7619 -0.4301 0.8687 0.3602 -0.3400 15.039 3.112 -33.160 A 465 GLY A 84 GLY.? A 501 ASP B 245 ASP.? B 367 TYR C 447 TYR.? ULMNm 3 1uok_c03 OLIGO-1,6-GLUCOSIDASE user 13 3 RMSD = 1.27 A TRANSFORM -0.8122 0.3898 0.4340 0.5634 0.7172 0.4102 0.1514 -0.5777 0.8021 46.526 12.601 50.389 199 ASP C 449 ASP.? 255 GLU C 435 GLU~? 329 ASP C 445 ASP.? ULMNm 3 1eyi_c00 FRUCTOSE-1,6-BISPHOSPHATASE user 2 3 RMSD = 1.27 A TRANSFORM 0.2763 0.7344 0.6199 0.8347 0.1363 -0.5336 0.4764 -0.6649 0.5753 5.439 -13.215 71.445 A 68 ASP A 44 ASP.? A 74 ASP A 49 ASP.? A 98 GLU A 35 GLU~? ULMNm 3 2amg_c02 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 3 3 RMSD = 1.27 A TRANSFORM 0.0168 -0.3802 0.9247 -0.7043 -0.6610 -0.2590 -0.7097 0.6469 0.2789 78.199 125.730 -10.194 193 ASP A 48 ASP.? 219 GLU A 35 GLU~? 294 ASP A 44 ASP.? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 2 3 RMSD = 1.28 A TRANSFORM 0.4807 -0.2401 0.8434 0.2004 -0.9063 -0.3722 -0.8537 -0.3479 0.3875 45.236 66.427 -32.033 D 465 GLY A 84 GLY.? D 501 ASP B 245 ASP.? E 367 TYR C 447 TYR.? ULMNm 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 5 3 RMSD = 1.28 A TRANSFORM 0.5539 -0.7645 -0.3296 -0.0409 0.3705 -0.9279 -0.8316 -0.5275 -0.1740 79.472 6.561 34.841 199 ASP C 445 ASP.? 218 GLU B 267 GLU~? 329 ASP C 449 ASP.? ULMNm 3 1uok_c03 OLIGO-1,6-GLUCOSIDASE user 3 3 RMSD = 1.29 A TRANSFORM 0.4988 -0.7883 0.3602 -0.8006 -0.5783 -0.1570 -0.3321 0.2101 0.9196 102.169 57.034 35.019 199 ASP A 48 ASP.? 255 GLU A 35 GLU~? 329 ASP A 44 ASP.? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 1.29 A TRANSFORM -0.5515 0.0485 0.8327 0.0076 -0.9980 0.0632 -0.8341 -0.0412 -0.5501 57.520 -86.043 -141.258 A 420 ALA B 305 ALA~? B 182 GLY A 84 GLY.? B 183 GLY B 309 GLY.? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 5 3 RMSD = 1.29 A TRANSFORM 0.3258 -0.1896 0.9262 0.1839 -0.9482 -0.2589 -0.9274 -0.2547 0.2741 45.338 69.816 -36.132 D 465 GLY A 84 GLY.? D 501 ASP B 248 ASP.? E 367 TYR C 447 TYR.? ULMNm 3 2odj_o01 PORIN D user 1 3 RMSD = 1.29 A TRANSFORM -0.6212 0.5182 -0.5878 -0.7820 -0.3617 0.5076 -0.0504 -0.7750 -0.6299 -34.805 6.738 95.599 B 156 HIS A 116 HIS~? B 208 ASP C 446 ASP.? B 296 SER B 259 SER~? ULMNm 3 1amy_c05 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 1 3 RMSD = 1.29 A TRANSFORM 0.2466 -0.9689 0.0208 0.3166 0.1008 0.9432 0.9160 0.2260 -0.3316 49.179 93.526 9.814 179 ASP A 48 ASP.? 204 GLU A 35 GLU~? 289 ASP A 44 ASP.? ULMNm 3 1bvz_c09 ALPHA-AMYLASE II user 2 3 RMSD = 1.30 A TRANSFORM 0.7303 0.6663 0.1504 0.1507 0.0576 -0.9869 0.6663 -0.7434 0.0583 0.297 -12.654 78.801 B 325 ASP C 449 ASP.? B 354 GLU C 435 GLU~? B 421 ASP C 445 ASP.? ULMNm 3 2amg_c02 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 5 3 RMSD = 1.30 A TRANSFORM -0.1796 0.1458 0.9729 0.4895 -0.8446 0.2169 -0.8533 -0.5152 -0.0804 55.469 151.925 30.308 193 ASP A 49 ASP.? 219 GLU A 35 GLU~? 294 ASP A 45 ASP.? ULMNm 3 3s57_d00 OXIDOREDUCTASE/DNA user 2 3 RMSD = 1.30 A TRANSFORM -0.4121 -0.8767 -0.2482 -0.9074 0.4196 0.0247 -0.0825 -0.2354 0.9684 18.153 -23.884 42.547 A 101 VAL C 412 VAL~? A 102 PHE C 411 PHE~? A 169 CYH A 90 CYH~? ULMNm 3 2odj_o00 PORIN D user 2 3 RMSD = 1.30 A TRANSFORM 0.4594 -0.8661 -0.1969 0.8882 0.4466 0.1076 0.0053 0.2243 -0.9745 46.030 10.147 2.067 A 156 HIS A 116 HIS~? A 208 ASP C 449 ASP.? A 296 SER A 51 SER~? ULMNm 3 1inp_c02 INOSITOL POLYPHOSPHATE 1-PHOSPHATASEuser 3 3 RMSD = 1.31 A TRANSFORM -0.7182 -0.6446 0.2621 -0.2700 0.6052 0.7489 0.6414 -0.4670 0.6087 4.896 5.255 38.426 54 ASP B 246 ASP.? 158 THR B 238 THR.? 317 ASP B 260 ASP~? ULMNm 3 1m53_c03 ISOMALTULOSE SYNTHASE user 1 3 RMSD = 1.31 A TRANSFORM -0.3446 -0.3542 -0.8693 -0.8663 0.4768 0.1491 -0.3617 -0.8045 0.4712 -0.710 17.215 135.362 A 241 ASP A 48 ASP.? A 295 GLU A 35 GLU~? A 369 ASP A 44 ASP.? ULMNm 3 1cdg_c04 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 2 3 RMSD = 1.31 A TRANSFORM 0.4706 -0.8362 -0.2817 -0.8451 -0.3354 -0.4164 -0.2537 -0.4340 0.8645 76.358 86.023 91.161 229 ASP A 45 ASP.? 257 GLU A 35 GLU~? 328 ASP A 49 ASP.? ULMNm 3 1qho_c04 ALPHA-AMYLASE user 12 3 RMSD = 1.31 A TRANSFORM -0.7539 0.1951 0.6274 -0.6561 -0.1724 -0.7347 0.0351 0.9655 -0.2580 36.394 66.800 -14.185 A 228 ASP C 449 ASP.? A 256 GLU C 435 GLU~? A 329 ASP C 445 ASP.? ULMNm 3 1bvz_c08 ALPHA-AMYLASE II user 3 3 RMSD = 1.31 A TRANSFORM -0.7046 -0.7000 -0.1159 -0.4574 0.3234 0.8284 0.5424 -0.6367 0.5481 58.601 54.966 95.086 A 325 ASP C 449 ASP.? A 354 GLU C 435 GLU~? A 421 ASP C 445 ASP.? ULMNm 3 1js4_c00 ENDO-EXOCELLULASE E4 user 8 3 RMSD = 1.31 A TRANSFORM -0.0867 -0.6661 0.7408 -0.9613 0.2511 0.1133 0.2614 0.7023 0.6621 97.116 39.877 2.911 A 55 ASP C 448 ASP.? A 58 ASP C 449 ASP.? A 424 GLU A 43 GLU.? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 15 3 RMSD = 1.31 A TRANSFORM 0.1396 -0.1499 0.9788 0.2721 -0.9446 -0.1835 -0.9521 -0.2920 0.0911 45.131 70.169 -36.225 D 465 GLY B 309 GLY.? D 501 ASP B 248 ASP.? E 367 TYR C 447 TYR.? ULMNm 3 2amg_c02 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 13 3 RMSD = 1.31 A TRANSFORM 0.1012 -0.9129 0.3954 -0.3503 -0.4047 -0.8447 -0.9311 0.0531 0.3608 73.419 107.810 15.682 193 ASP C 445 ASP.? 219 GLU C 435 GLU~? 294 ASP C 449 ASP.? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 5 3 RMSD = 1.32 A TRANSFORM 0.0165 0.6070 0.7945 -0.3520 0.7473 -0.5636 0.9358 0.2704 -0.2260 12.269 0.980 -29.149 A 465 GLY A 84 GLY.? A 501 ASP B 248 ASP.? B 367 TYR C 447 TYR.? ULMNm 3 1js4_c01 ENDO-EXOCELLULASE E4 user 18 3 RMSD = 1.33 A TRANSFORM 0.6560 -0.3434 -0.6722 0.2626 -0.7311 0.6297 0.7076 0.5896 0.3894 114.887 100.848 2.201 B 55 ASP C 448 ASP.? B 58 ASP C 449 ASP.? B 424 GLU A 43 GLU.? ULMNm 3 2amg_c02 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 8 3 RMSD = 1.33 A TRANSFORM -0.6837 0.5138 -0.5182 -0.6904 -0.2257 0.6873 -0.2362 -0.8277 -0.5091 26.438 105.992 15.307 193 ASP B 245 ASP.? 219 GLU B 235 GLU~? 294 ASP B 249 ASP.? ULMNm 3 1uok_c03 OLIGO-1,6-GLUCOSIDASE user 1 3 RMSD = 1.33 A TRANSFORM -0.8195 0.1778 -0.5448 -0.0500 0.9248 0.3771 -0.5709 -0.3362 0.7490 25.603 8.071 53.687 199 ASP A 44 ASP.? 255 GLU A 35 GLU~? 329 ASP A 49 ASP.? ULMNm 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 8 3 RMSD = 1.33 A TRANSFORM -0.5934 0.8013 0.0760 -0.3278 -0.3268 0.8864 -0.7352 -0.5011 -0.4565 23.741 63.772 29.373 199 ASP C 449 ASP.? 218 GLU A 15 GLU~? 329 ASP C 445 ASP.? ULMNm 3 1qrz_c21 PLASMINOGEN user 1 3 RMSD = 1.34 A TRANSFORM -0.3429 0.4244 0.8380 0.8508 -0.2379 0.4686 -0.3982 -0.8737 0.2794 -55.149 25.001 30.245 B 603 HIS A 116 HIS~? B 646 ASP C 445 ASP.? B 739 GLY A 109 GLY.? ULMNm 3 1qho_c04 ALPHA-AMYLASE user 1 3 RMSD = 1.34 A TRANSFORM -0.9403 0.0541 -0.3360 0.2650 -0.5030 -0.8227 0.2135 0.8626 -0.4586 16.944 64.989 -24.219 A 228 ASP A 44 ASP.? A 256 GLU A 35 GLU~? A 329 ASP A 49 ASP.? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 16 3 RMSD = 1.35 A TRANSFORM -0.1699 0.6273 0.7600 -0.2620 0.7147 -0.6485 0.9500 0.3093 -0.0429 11.860 0.922 -29.075 A 465 GLY B 309 GLY.? A 501 ASP B 248 ASP.? B 367 TYR C 447 TYR.? ULMNm 3 1cdg_c04 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 6 3 RMSD = 1.35 A TRANSFORM 0.8636 0.1395 0.4844 -0.2649 0.9431 0.2007 0.4289 0.3017 -0.8515 45.402 79.790 40.166 229 ASP B 245 ASP.? 257 GLU B 235 GLU~? 328 ASP B 249 ASP.? ULMNm 3 1uok_c03 OLIGO-1,6-GLUCOSIDASE user 5 3 RMSD = 1.35 A TRANSFORM 0.6185 0.4182 0.6652 0.2560 -0.9077 0.3326 -0.7429 0.0354 0.6685 57.685 90.130 33.624 199 ASP A 49 ASP.? 255 GLU A 35 GLU~? 329 ASP A 45 ASP.? ULMNm 3 1qho_c04 ALPHA-AMYLASE user 5 3 RMSD = 1.36 A TRANSFORM -0.5908 0.8063 -0.0296 0.3214 0.2689 0.9080 -0.7401 -0.5269 0.4180 27.561 67.173 34.561 A 228 ASP B 244 ASP~? A 256 GLU B 235 GLU~? A 329 ASP B 249 ASP.? ULMNm 3 1bf2_c00 ISOAMYLASE user 9 3 RMSD = 1.36 A TRANSFORM -0.3413 -0.3640 -0.8666 -0.4594 0.8690 -0.1841 -0.8201 -0.3353 0.4638 88.956 36.327 66.133 375 ASP C 449 ASP.? 435 GLU C 435 GLU~? 510 ASP C 445 ASP.? ULMNm 3 1qho_c07 ALPHA-AMYLASE user 1 3 RMSD = 1.36 A TRANSFORM 0.4938 -0.8318 -0.2536 0.3871 0.4714 -0.7924 -0.7787 -0.2931 -0.5547 62.315 35.655 35.897 A 228 ASP C 444 ASP~? A 260 ASP A 45 ASP.? A 329 ASP C 449 ASP.? ULMNm 3 1qrz_c22 PLASMINOGEN user 1 3 RMSD = 1.37 A TRANSFORM 0.2957 0.9552 0.0120 -0.8227 0.2610 -0.5051 0.4856 -0.1395 -0.8630 -32.433 -32.486 5.170 C 603 HIS A 116 HIS~? C 646 ASP C 445 ASP.? C 739 GLY A 109 GLY.? ULMNm 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 5 3 RMSD = 1.37 A TRANSFORM -0.8738 0.3256 -0.3612 -0.4461 -0.8323 0.3290 0.1935 -0.4486 -0.8725 40.360 57.261 -4.476 199 ASP B 311 ASP.? 242 GLU B 295 GLU~? 329 ASP A 73 ASP.? ULMNm 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 11 3 RMSD = 1.38 A TRANSFORM -0.4192 -0.3501 0.8377 0.4828 0.6954 0.5323 0.7689 -0.6276 0.1225 58.707 83.348 37.155 193 ASP C 449 ASP.? 231 ASP A 49 ASP.? 294 ASP C 445 ASP.? ULMNm 3 1m53_c03 ISOMALTULOSE SYNTHASE user 11 3 RMSD = 1.38 A TRANSFORM 0.4331 0.8028 -0.4097 0.8978 -0.3442 0.2746 -0.0794 0.4868 0.8699 -27.893 51.301 77.469 A 241 ASP C 449 ASP.? A 295 GLU C 435 GLU~? A 369 ASP C 445 ASP.? ULMNm 3 2amg_c02 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 16 3 RMSD = 1.38 A TRANSFORM -0.2880 -0.1134 0.9509 0.4158 0.8796 0.2309 0.8626 -0.4619 0.2062 50.545 71.562 30.967 193 ASP C 449 ASP.? 219 GLU C 435 GLU~? 294 ASP C 445 ASP.? ULMNm 3 1t7d_c00 SIGNAL PEPTIDASE I user 2 3 RMSD = 1.38 A TRANSFORM 0.4238 -0.8149 0.3953 -0.1801 -0.5036 -0.8450 -0.8877 -0.2869 0.3602 28.218 34.936 28.435 A 88 SER A 92 SER~? A 90 SER A 88 SER~? A 145 LYS B 308 LYS~? ULMNm 3 1d6o_c00 FK506-BINDING PROTEIN user 4 3 RMSD = 1.38 A TRANSFORM -0.2180 0.8377 -0.5008 0.8675 0.4014 0.2939 -0.4472 0.3704 0.8141 18.166 -12.509 -2.793 A 37 ASP C 449 ASP.? A 56 ILE A 101 ILE~? A 82 TYR A 94 TYR~? ULMNm 3 1amy_c05 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 4 3 RMSD = 1.38 A TRANSFORM -0.9249 0.3006 0.2329 0.2098 0.9142 -0.3467 0.3172 0.2718 0.9086 3.223 59.243 27.428 179 ASP B 244 ASP~? 204 GLU B 235 GLU~? 289 ASP B 249 ASP.? ULMNm 3 1qrz_c23 PLASMINOGEN user 1 3 RMSD = 1.39 A TRANSFORM 0.2479 0.9688 -0.0024 -0.8502 0.2164 -0.4799 0.4644 -0.1209 -0.8773 -87.631 -30.312 42.299 D 603 HIS A 116 HIS~? D 646 ASP C 445 ASP.? D 739 GLY A 109 GLY.? ULMNm 3 1qrz_c20 PLASMINOGEN user 1 3 RMSD = 1.40 A TRANSFORM -0.3924 0.4242 0.8161 0.8104 -0.2602 0.5249 -0.4351 -0.8674 0.2417 -28.196 26.395 67.450 A 603 HIS A 116 HIS~? A 646 ASP C 445 ASP.? A 739 GLY A 109 GLY.? ULMNm 3 1qho_c04 ALPHA-AMYLASE user 11 3 RMSD = 1.40 A TRANSFORM 0.0320 0.6354 0.7715 -0.9701 -0.1661 0.1771 -0.2407 0.7541 -0.6111 18.724 84.512 -11.391 A 228 ASP C 449 ASP.? A 256 GLU C 435 GLU~? A 329 ASP C 444 ASP~? ULMNm 3 1uok_c03 OLIGO-1,6-GLUCOSIDASE user 6 3 RMSD = 1.40 A TRANSFORM -0.6909 0.6939 0.2027 -0.6889 -0.5471 -0.4754 0.2190 0.4681 -0.8561 49.553 42.057 10.664 199 ASP B 244 ASP~? 255 GLU B 235 GLU~? 329 ASP B 249 ASP.? ULMNm 3 1cdg_c04 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 3 3 RMSD = 1.41 A TRANSFORM 0.5408 0.8391 -0.0577 0.5821 -0.3239 0.7458 -0.6071 0.4370 0.6637 7.831 126.934 44.604 229 ASP A 49 ASP.? 257 GLU A 35 GLU~? 328 ASP A 44 ASP.? ULMNm 3 1qho_c04 ALPHA-AMYLASE user 7 3 RMSD = 1.41 A TRANSFORM 0.7797 -0.1670 -0.6035 -0.4782 -0.7810 -0.4017 0.4043 -0.6018 0.6887 33.189 77.855 32.892 A 228 ASP B 249 ASP.? A 256 GLU B 235 GLU~? A 329 ASP B 244 ASP~? ULMNm 3 2amg_c02 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 2 3 RMSD = 1.41 A TRANSFORM -0.9054 0.3535 0.2350 0.0266 0.5999 -0.7996 0.4236 0.7177 0.5526 19.857 49.615 -4.002 193 ASP A 45 ASP.? 219 GLU A 35 GLU~? 294 ASP A 49 ASP.? ULMNm 3 1uok_c03 OLIGO-1,6-GLUCOSIDASE user 8 3 RMSD = 1.41 A TRANSFORM 0.7737 -0.4212 -0.4732 0.6058 0.2733 0.7472 0.1854 0.8648 -0.4667 56.201 32.357 7.312 199 ASP B 249 ASP.? 255 GLU B 235 GLU~? 329 ASP B 244 ASP~? ULMNm 3 1amy_c05 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 11 3 RMSD = 1.41 A TRANSFORM -0.5678 0.7590 0.3185 -0.4880 -0.6220 0.6124 -0.6629 -0.1923 -0.7236 -20.652 102.701 28.082 179 ASP C 449 ASP.? 204 GLU C 435 GLU~? 289 ASP C 445 ASP.? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 1 3 RMSD = 1.42 A TRANSFORM 0.0503 0.8369 0.5451 0.4084 -0.5153 0.7534 -0.9114 -0.1847 0.3677 27.457 135.043 61.299 229 ASP A 49 ASP.? 264 GLU C 433 GLU~? 328 ASP A 44 ASP.? ULMNm 3 1d6o_c01 FK506-BINDING PROTEIN user 4 3 RMSD = 1.42 A TRANSFORM -0.2243 0.8364 -0.5001 0.8792 0.3950 0.2663 -0.4203 0.3799 0.8240 21.096 -29.179 -30.601 B 37 ASP C 449 ASP.? B 56 ILE A 101 ILE~? B 82 TYR A 94 TYR~? ULMNm 3 1bf2_c00 ISOAMYLASE user 4 3 RMSD = 1.43 A TRANSFORM 0.6108 0.0300 0.7912 -0.7897 -0.0495 0.6115 -0.0575 0.9983 0.0066 85.670 75.257 35.741 375 ASP B 244 ASP~? 435 GLU B 235 GLU~? 510 ASP B 249 ASP.? ULMNm 3 1qho_c04 ALPHA-AMYLASE user 4 3 RMSD = 1.43 A TRANSFORM 0.3813 0.4365 0.8149 0.3259 0.7614 -0.5604 0.8651 -0.4792 -0.1480 40.353 16.725 48.254 A 228 ASP A 49 ASP.? A 256 GLU A 35 GLU~? A 329 ASP A 45 ASP.? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 2 3 RMSD = 1.43 A TRANSFORM -0.3792 0.4087 0.8302 0.2515 0.9089 -0.3326 0.8905 -0.0826 0.4475 20.828 -16.242 104.800 A 241 ASP A 49 ASP.? A 265 GLU C 417 GLU~? A 369 ASP A 44 ASP.? ULMNm 3 12as_c00 ASPARAGINE SYNTHETASE user 2 3 RMSD = 1.44 A TRANSFORM -0.9720 0.1923 -0.1352 0.2149 0.9601 -0.1791 -0.0954 0.2031 0.9745 19.247 -25.983 27.811 A 46 ASP A 44 ASP.? A 100 ARG A 34 ARG~? A 116 GLN C 436 GLN~? ULMNm 3 1j7g_c00 D-TYROSYL-TRNA(TYR) DEACYLASE user 5 3 RMSD = 1.44 A TRANSFORM -0.8154 0.5494 0.1823 0.0959 -0.1823 0.9785 -0.5708 -0.8154 -0.0960 9.140 50.046 46.969 A 78 GLN A 26 GLN~? A 79 PHE A 24 PHE~? A 80 THR A 23 THR~? ULMNm 3 2bhg_c02 FOOT-AND-MOUTH DISEASE VIRUS 3C PROTuser 6 3 RMSD = 1.44 A TRANSFORM 0.1867 0.2919 0.9380 0.2015 0.9231 -0.3274 0.9615 -0.2502 -0.1135 9.621 -38.572 9.248 B 46 HIS C 516 HIS~? B 163 ALA C 505 ALA~? B 182 SER C 502 SER~? ULMNm 3 2bhg_c02 FOOT-AND-MOUTH DISEASE VIRUS 3C PROTuser 2 3 RMSD = 1.44 A TRANSFORM -0.1042 -0.4612 0.8812 0.8014 -0.5636 -0.2002 -0.5890 -0.6853 -0.4283 58.518 26.068 18.892 B 46 HIS A 116 HIS~? B 163 ALA A 105 ALA~? B 182 SER A 102 SER~? ULMNm 3 1uok_c03 OLIGO-1,6-GLUCOSIDASE user 12 3 RMSD = 1.45 A TRANSFORM -0.1690 0.7665 0.6196 0.6320 0.5667 -0.5286 0.7563 -0.3023 0.5802 32.643 0.959 33.230 199 ASP C 449 ASP.? 255 GLU C 435 GLU~? 329 ASP C 444 ASP~? ULMNm 3 2amg_c02 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 4 3 RMSD = 1.45 A TRANSFORM -0.2351 -0.6780 0.6964 0.4257 -0.7160 -0.5533 -0.8738 -0.1663 -0.4570 83.583 117.969 0.235 193 ASP A 49 ASP.? 219 GLU A 35 GLU~? 294 ASP A 44 ASP.? ULMNm 3 1bf2_c00 ISOAMYLASE user 3 3 RMSD = 1.45 A TRANSFORM 0.0379 0.6210 -0.7829 0.9992 -0.0160 0.0356 -0.0096 0.7837 0.6211 32.413 77.489 27.677 375 ASP A 49 ASP.? 435 GLU A 35 GLU~? 510 ASP A 45 ASP.? ULMNm 3 2bhg_c02 FOOT-AND-MOUTH DISEASE VIRUS 3C PROTuser 4 3 RMSD = 1.45 A TRANSFORM 0.6690 0.1613 -0.7255 0.7229 -0.3679 0.5848 0.1726 0.9158 0.3627 5.718 8.469 -2.882 B 46 HIS B 316 HIS~? B 163 ALA B 305 ALA~? B 182 SER B 302 SER~? ULMNm 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 3 3 RMSD = 1.46 A TRANSFORM -0.5090 0.8287 0.2329 -0.0662 -0.3075 0.9493 -0.8582 -0.4678 -0.2114 49.572 38.829 17.134 199 ASP B 245 ASP.? 218 GLU A 95 GLU~? 329 ASP B 249 ASP.? ULMNm 3 2amg_c02 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 14 3 RMSD = 1.46 A TRANSFORM 0.0540 0.4171 0.9072 0.9557 -0.2847 0.0740 -0.2892 -0.8631 0.4141 26.341 116.021 54.583 193 ASP C 448 ASP.? 219 GLU C 435 GLU~? 294 ASP C 444 ASP~? ULMNm 3 1o98_c00 2,3-BISPHOSPHOGLYCERATE-INDEPENDENT user 2 3 RMSD = 1.46 A TRANSFORM -0.2385 -0.7277 -0.6431 0.6715 -0.6020 0.4322 0.7016 0.3288 -0.6322 25.747 126.241 -25.380 A 62 SER A 51 SER~? A 154 ASP A 46 ASP.? A 261 ARG C 425 ARG~? ULMNm 3 1m53_c03 ISOMALTULOSE SYNTHASE user 3 3 RMSD = 1.46 A TRANSFORM 0.5753 -0.7034 -0.4176 -0.7748 -0.6322 -0.0025 0.2622 -0.3250 0.9086 32.048 62.588 129.096 A 241 ASP A 49 ASP.? A 295 GLU A 35 GLU~? A 369 ASP A 45 ASP.? ULMNm 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 10 3 RMSD = 1.46 A TRANSFORM -0.2120 0.1628 0.9636 0.9268 0.3463 0.1454 0.3100 -0.9239 0.2243 40.467 87.606 52.088 193 ASP C 449 ASP.? 231 ASP A 49 ASP.? 294 ASP C 444 ASP~? ULMNm 3 1j7g_c00 D-TYROSYL-TRNA(TYR) DEACYLASE user 12 3 RMSD = 1.46 A TRANSFORM -0.1669 -0.9271 0.3356 -0.2221 0.3670 0.9033 0.9606 -0.0763 0.2672 73.769 8.102 19.023 A 78 GLN C 426 GLN~? A 79 PHE C 424 PHE~? A 80 THR C 423 THR~? ULMNm 3 1eyi_c00 FRUCTOSE-1,6-BISPHOSPHATASE user 4 3 RMSD = 1.47 A TRANSFORM 0.2159 -0.8813 0.4203 0.0866 0.4460 0.8908 0.9726 0.1559 -0.1727 20.816 7.166 18.354 A 68 ASP B 244 ASP~? A 74 ASP B 248 ASP.? A 98 GLU B 235 GLU~? ULMNm 3 1uok_c03 OLIGO-1,6-GLUCOSIDASE user 9 3 RMSD = 1.47 A TRANSFORM 0.1386 -0.8558 -0.4984 0.9472 0.2614 -0.1856 -0.2891 0.4463 -0.8469 59.129 34.602 10.914 199 ASP B 249 ASP.? 255 GLU B 235 GLU~? 329 ASP B 245 ASP.? ULMNm 3 1m53_c03 ISOMALTULOSE SYNTHASE user 4 3 RMSD = 1.47 A TRANSFORM -0.4583 -0.8389 0.2937 0.3693 -0.4803 -0.7956 -0.8084 0.2562 -0.5299 19.431 38.108 82.869 A 241 ASP B 244 ASP~? A 295 GLU B 235 GLU~? A 369 ASP B 249 ASP.? ULMNm 3 1j7g_c00 D-TYROSYL-TRNA(TYR) DEACYLASE user 9 3 RMSD = 1.48 A TRANSFORM -0.7677 0.3643 -0.5272 0.4820 -0.2139 -0.8497 0.4223 0.9064 0.0114 27.200 8.740 7.432 A 78 GLN B 226 GLN~? A 79 PHE B 224 PHE~? A 80 THR B 223 THR~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 2 3 RMSD = 1.48 A TRANSFORM -0.6532 -0.5560 -0.5141 -0.4371 0.8312 -0.3436 -0.6183 -0.0003 0.7859 62.543 -6.221 20.623 A 67 ASP B 260 ASP~? A 68 ALA B 261 ALA~? A 72 LEU B 258 LEU~? ULMNm 3 1t7d_c01 SIGNAL PEPTIDASE I user 1 3 RMSD = 1.48 A TRANSFORM -0.4462 0.8871 -0.1186 0.2517 0.2515 0.9346 -0.8588 -0.3871 0.3355 33.644 24.922 28.079 B 88 SER A 92 SER~? B 90 SER A 88 SER~? B 145 LYS B 308 LYS~? ULMNm 3 1b57_c01 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 2 3 RMSD = 1.49 A TRANSFORM 0.8720 0.3407 -0.3514 -0.4895 0.6049 -0.6282 0.0015 -0.7198 -0.6942 -14.189 24.090 146.155 B 109 ASP A 45 ASP.? B 182 GLU A 43 GLU.? B 286 ASN C 429 ASN~? ULMNm 3 1lci_c00 LUCIFERASE user 1 3 RMSD = 1.49 A TRANSFORM -0.6642 -0.6897 -0.2883 0.6638 -0.7215 0.1970 0.3439 0.0605 -0.9371 22.175 122.186 31.228 218 ARG A 122 ARG~? 245 HIS A 116 HIS~? 343 THR A 127 THR.? ULMNm 3 1vzz_c00 STEROID DELTA-ISOMERASE user 8 3 RMSD = 1.49 A TRANSFORM 0.3688 -0.1833 0.9112 0.9108 -0.1242 -0.3937 -0.1853 -0.9752 -0.1211 23.195 10.145 54.654 A 16 TYR C 442 TYR~? A 40 ASP C 460 ASP~? A 103 LEU C 458 LEU~? ULMNm 3 3hde_o00 LYSOZYME user 2 3 RMSD = 1.49 A TRANSFORM 0.9233 -0.1234 -0.3637 0.2150 0.9508 0.2232 -0.3182 0.2843 -0.9044 -2.669 -53.195 -55.592 A 35 GLU A 43 GLU.? A 44 ASP C 448 ASP.? A 50 THR A 98 THR~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 2 3 RMSD = 1.49 A TRANSFORM -0.0487 0.7336 -0.6779 0.8894 0.3407 0.3047 -0.4544 0.5881 0.6691 -3.691 25.035 -10.772 A 229 ALA A 105 ALA~? A 257 ALA A 103 ALA~? A 328 ASP C 445 ASP.? ULMNm 3 1bf2_c00 ISOAMYLASE user 6 3 RMSD = 1.50 A TRANSFORM -0.7713 -0.6010 -0.2097 0.5465 -0.7942 0.2657 0.3262 -0.0903 -0.9410 93.850 78.975 44.317 375 ASP B 249 ASP.? 435 GLU B 235 GLU~? 510 ASP B 244 ASP~? ULMNm 3 1m53_c03 ISOMALTULOSE SYNTHASE user 6 3 RMSD = 1.50 A TRANSFORM -0.1290 0.6366 0.7604 -0.6716 0.5081 -0.5393 0.7296 0.5802 -0.3619 9.123 32.612 78.182 A 241 ASP B 248 ASP.? A 295 GLU B 235 GLU~? A 369 ASP B 244 ASP~? ULMNm 3 1hto_c00 GLUTAMINE SYNTHETASE user 8 3 RMSD = 1.50 A TRANSFORM 0.5343 0.7478 0.3941 -0.6435 0.0575 0.7633 -0.5481 0.6615 -0.5119 53.336 73.072 119.027 A 50 ASP B 273 ASP.? A 327 GLU A 33 GLU~? A 339 ARG A 30 ARG~? ULMNm 3 2amg_c02 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 11 3 RMSD = 1.50 A TRANSFORM 0.0006 -0.1193 -0.9929 0.9981 0.0616 -0.0068 -0.0620 0.9909 -0.1191 30.339 104.167 4.044 193 ASP B 249 ASP.? 219 GLU B 235 GLU~? 294 ASP B 245 ASP.? ULMNm 3 1hto_c00 GLUTAMINE SYNTHETASE user 3 3 RMSD = 1.50 A TRANSFORM -0.0178 -0.1187 -0.9928 -0.9975 -0.0658 0.0257 0.0684 -0.9907 0.1172 83.012 47.250 160.741 A 50 ASP A 111 ASP.? A 327 GLU B 233 GLU~? A 339 ARG B 234 ARG~? ULMNm 3 2amg_c02 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 7 3 RMSD = 1.50 A TRANSFORM -0.3243 0.7148 -0.6195 -0.7887 -0.5659 -0.2401 0.5223 -0.4108 -0.7473 25.406 110.450 13.181 193 ASP B 244 ASP~? 219 GLU B 235 GLU~? 294 ASP B 249 ASP.?