*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 10 3 RMSD = 0.79 A TRANSFORM 0.7788 0.3512 0.5198 -0.5730 0.0610 0.8173 0.2553 -0.9343 0.2488 20.957 117.138 53.165 193 ASP C 449 ASP.? 231 ASP A 49 ASP.? 294 ASP C 444 ASP~? ULMNm 3 1bvz_c08 ALPHA-AMYLASE II user 3 3 RMSD = 0.89 A TRANSFORM 0.6896 0.0574 0.7219 -0.7182 0.1817 0.6717 -0.0926 -0.9817 0.1665 38.880 58.655 104.068 A 325 ASP C 449 ASP.? A 354 GLU C 435 GLU~? A 421 ASP C 445 ASP.? ULMNm 3 1cdg_c04 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 2 3 RMSD = 0.94 A TRANSFORM 0.6184 0.3795 -0.6881 -0.7806 0.1953 -0.5938 -0.0910 0.9043 0.4170 6.169 55.383 13.891 229 ASP A 45 ASP.? 257 GLU A 35 GLU~? 328 ASP A 49 ASP.? ULMNm 3 1bvz_c08 ALPHA-AMYLASE II user 1 3 RMSD = 0.98 A TRANSFORM -0.4608 -0.7024 0.5425 0.3505 0.4176 0.8383 -0.8154 0.5764 0.0538 80.975 63.031 34.729 A 325 ASP A 49 ASP.? A 354 GLU A 35 GLU~? A 421 ASP A 45 ASP.? ULMNm 3 1cdg_c04 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 6 3 RMSD = 0.98 A TRANSFORM -0.1567 -0.5964 0.7872 -0.7073 0.6241 0.3320 -0.6893 -0.5048 -0.5197 49.985 81.776 45.188 229 ASP B 245 ASP.? 257 GLU B 235 GLU~? 328 ASP B 249 ASP.? ULMNm 3 1qho_c04 ALPHA-AMYLASE user 8 3 RMSD = 1.00 A TRANSFORM 0.3819 -0.4441 -0.8105 0.8719 0.4641 0.1565 0.3067 -0.7664 0.5644 35.355 67.816 34.498 A 228 ASP B 249 ASP.? A 256 GLU B 235 GLU~? A 329 ASP B 245 ASP.? ULMNm 3 1bvz_c09 ALPHA-AMYLASE II user 2 3 RMSD = 1.01 A TRANSFORM -0.7017 -0.1010 -0.7052 0.6471 0.3236 -0.6903 0.2979 -0.9408 -0.1618 20.193 -19.551 83.918 B 325 ASP C 449 ASP.? B 354 GLU C 435 GLU~? B 421 ASP C 445 ASP.? ULMNm 3 1qho_c04 ALPHA-AMYLASE user 4 3 RMSD = 1.02 A TRANSFORM 0.3316 0.0439 0.9424 0.1037 -0.9946 0.0098 0.9377 0.0944 -0.3343 62.894 117.525 15.321 A 228 ASP A 49 ASP.? A 256 GLU A 35 GLU~? A 329 ASP A 45 ASP.? ULMNm 3 1m53_c03 ISOMALTULOSE SYNTHASE user 11 3 RMSD = 1.03 A TRANSFORM -0.3133 0.4052 -0.8589 -0.1711 -0.9137 -0.3686 -0.9341 0.0315 0.3556 -17.669 65.944 89.177 A 241 ASP C 449 ASP.? A 295 GLU C 435 GLU~? A 369 ASP C 445 ASP.? ULMNm 3 1cdg_c04 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 10 3 RMSD = 1.03 A TRANSFORM -0.4422 0.2577 -0.8591 0.3466 -0.8343 -0.4287 -0.8272 -0.4873 0.2796 22.280 112.104 68.179 229 ASP C 445 ASP.? 257 GLU C 435 GLU~? 328 ASP C 449 ASP.? ULMNm 3 1bf2_c00 ISOAMYLASE user 9 3 RMSD = 1.04 A TRANSFORM 0.9325 0.3374 -0.1287 -0.3525 0.9278 -0.1222 0.0782 0.1593 0.9841 70.099 34.746 52.837 375 ASP C 449 ASP.? 435 GLU C 435 GLU~? 510 ASP C 445 ASP.? ULMNm 3 1uok_c03 OLIGO-1,6-GLUCOSIDASE user 5 3 RMSD = 1.04 A TRANSFORM 0.5576 -0.0840 0.8258 0.4694 0.8524 -0.2303 -0.6846 0.5161 0.5148 86.433 -10.624 6.108 199 ASP A 49 ASP.? 255 GLU A 35 GLU~? 329 ASP A 45 ASP.? ULMNm 3 1eyi_c00 FRUCTOSE-1,6-BISPHOSPHATASE user 4 3 RMSD = 1.04 A TRANSFORM -0.0292 0.9959 -0.0853 0.1333 0.0885 0.9871 0.9906 0.0175 -0.1354 10.450 9.140 19.118 A 68 ASP B 244 ASP~? A 74 ASP B 248 ASP.? A 98 GLU B 235 GLU~? ULMNm 3 1m53_c03 ISOMALTULOSE SYNTHASE user 8 3 RMSD = 1.05 A TRANSFORM 0.0295 -0.5437 0.8387 -0.9691 0.1900 0.1572 -0.2448 -0.8175 -0.5213 15.987 33.116 87.934 A 241 ASP B 249 ASP.? A 295 GLU B 235 GLU~? A 369 ASP B 245 ASP.? ULMNm 3 1uok_c03 OLIGO-1,6-GLUCOSIDASE user 9 3 RMSD = 1.06 A TRANSFORM 0.5675 -0.5405 -0.6211 -0.5230 -0.8192 0.2351 -0.6359 0.1915 -0.7477 57.166 41.332 12.501 199 ASP B 249 ASP.? 255 GLU B 235 GLU~? 329 ASP B 245 ASP.? ULMNm 3 1bvz_c08 ALPHA-AMYLASE II user 2 3 RMSD = 1.06 A TRANSFORM 0.4707 0.6746 -0.5687 0.0422 -0.6610 -0.7492 -0.8813 0.3286 -0.3396 26.335 57.750 58.859 A 325 ASP B 249 ASP.? A 354 GLU B 235 GLU~? A 421 ASP B 245 ASP.? ULMNm 3 1uok_c03 OLIGO-1,6-GLUCOSIDASE user 13 3 RMSD = 1.06 A TRANSFORM -0.3907 0.6205 0.6800 -0.8942 -0.0806 -0.4403 -0.2184 -0.7801 0.5863 40.372 33.883 55.788 199 ASP C 449 ASP.? 255 GLU C 435 GLU~? 329 ASP C 445 ASP.? ULMNm 3 1m53_c03 ISOMALTULOSE SYNTHASE user 3 3 RMSD = 1.06 A TRANSFORM 0.6917 0.1601 -0.7042 -0.5989 0.6720 -0.4355 0.4035 0.7230 0.5607 -17.719 -12.585 68.687 A 241 ASP A 49 ASP.? A 295 GLU A 35 GLU~? A 369 ASP A 45 ASP.? ULMNm 3 1qho_c04 ALPHA-AMYLASE user 12 3 RMSD = 1.07 A TRANSFORM -0.4131 0.3807 0.8273 0.7834 0.6118 0.1096 -0.4644 0.6933 -0.5510 31.471 46.005 -6.968 A 228 ASP C 449 ASP.? A 256 GLU C 435 GLU~? A 329 ASP C 445 ASP.? ULMNm 3 1amy_c05 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 7 3 RMSD = 1.09 A TRANSFORM 0.4842 -0.8322 -0.2701 0.0126 0.3153 -0.9489 0.8749 0.4560 0.1632 9.304 64.190 28.136 179 ASP B 249 ASP.? 204 GLU B 235 GLU~? 289 ASP B 245 ASP.? ULMNm 3 1bf2_c00 ISOAMYLASE user 7 3 RMSD = 1.11 A TRANSFORM 0.6294 0.6851 0.3667 0.6597 -0.7205 0.2137 0.4107 0.1074 -0.9054 83.515 78.627 42.518 375 ASP B 249 ASP.? 435 GLU B 235 GLU~? 510 ASP B 245 ASP.? ULMNm 3 1eyi_c00 FRUCTOSE-1,6-BISPHOSPHATASE user 1 3 RMSD = 1.12 A TRANSFORM -0.8941 -0.4318 -0.1190 0.2906 -0.3570 -0.8877 0.3408 -0.8283 0.4447 31.498 -3.615 74.001 A 68 ASP A 44 ASP.? A 74 ASP A 48 ASP.? A 98 GLU A 35 GLU~? ULMNm 3 1amy_c05 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 11 3 RMSD = 1.12 A TRANSFORM -0.6192 0.7300 0.2892 0.1076 -0.2859 0.9522 0.7778 0.6207 0.0985 -19.855 93.463 5.735 179 ASP C 449 ASP.? 204 GLU C 435 GLU~? 289 ASP C 445 ASP.? ULMNm 3 1bf2_c00 ISOAMYLASE user 3 3 RMSD = 1.12 A TRANSFORM -0.1425 -0.9453 -0.2933 0.9810 -0.1743 0.0851 -0.1315 -0.2756 0.9522 121.707 86.509 88.064 375 ASP A 49 ASP.? 435 GLU A 35 GLU~? 510 ASP A 45 ASP.? ULMNm 3 1amy_c05 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 3 3 RMSD = 1.12 A TRANSFORM 0.8505 0.0990 0.5165 -0.5138 -0.0533 0.8562 0.1123 -0.9937 0.0055 18.171 96.892 77.619 179 ASP A 49 ASP.? 204 GLU A 35 GLU~? 289 ASP A 45 ASP.? ULMNm 3 1eyi_c00 FRUCTOSE-1,6-BISPHOSPHATASE user 7 3 RMSD = 1.13 A TRANSFORM 0.8074 -0.5348 0.2492 0.4290 0.2422 -0.8702 0.4050 0.8095 0.4250 41.490 -15.488 -7.642 A 68 ASP C 444 ASP~? A 74 ASP C 448 ASP.? A 98 GLU C 435 GLU~? ULMNm 3 1ti6_c07 PYROGALLOL HYDROXYTRANSFERASE SMALL user 2 3 RMSD = 1.18 A TRANSFORM -0.4310 -0.8694 -0.2417 0.4784 -0.4473 0.7557 -0.7651 0.2101 0.6087 10.842 121.445 -18.922 C 144 HIS A 116 HIS~? C 174 ASP C 445 ASP.? C 404 TYR A 94 TYR~? ULMNm 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 5 3 RMSD = 1.18 A TRANSFORM -0.9187 -0.1426 -0.3684 -0.2810 0.8913 0.3558 0.2777 0.4304 -0.8589 46.477 34.740 -15.960 199 ASP B 311 ASP.? 242 GLU B 295 GLU~? 329 ASP A 73 ASP.? ULMNm 3 1ti6_c08 PYROGALLOL HYDROXYTRANSFERASE SMALL user 2 3 RMSD = 1.18 A TRANSFORM -0.2746 0.9252 0.2619 0.2148 -0.2065 0.9546 0.9373 0.3184 -0.1420 -41.656 -83.788 68.657 E 144 HIS A 116 HIS~? E 174 ASP C 445 ASP.? E 404 TYR A 94 TYR~? ULMNm 3 2amg_c02 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 10 3 RMSD = 1.19 A TRANSFORM 0.5711 0.2869 -0.7691 -0.0685 -0.9170 -0.3929 -0.8180 0.2771 -0.5040 27.273 112.039 10.010 193 ASP B 249 ASP.? 219 GLU B 235 GLU~? 294 ASP B 244 ASP~? ULMNm 3 1ti6_c10 PYROGALLOL HYDROXYTRANSFERASE SMALL user 2 3 RMSD = 1.19 A TRANSFORM -0.3176 -0.9482 0.0069 -0.5900 0.1920 -0.7842 0.7423 -0.2531 -0.6205 21.359 -41.348 98.436 I 144 HIS A 116 HIS~? I 174 ASP C 445 ASP.? I 404 TYR A 94 TYR~? ULMNm 3 1ti6_c06 PYROGALLOL HYDROXYTRANSFERASE SMALL user 2 3 RMSD = 1.20 A TRANSFORM 0.7336 0.6457 0.2118 -0.6758 0.7259 0.1278 -0.0712 -0.2369 0.9689 2.853 -109.214 -16.316 A 144 HIS A 116 HIS~? A 174 ASP C 445 ASP.? A 404 TYR A 94 TYR~? ULMNm 3 1ti6_c09 PYROGALLOL HYDROXYTRANSFERASE SMALL user 2 3 RMSD = 1.21 A TRANSFORM 0.3588 -0.6035 -0.7121 -0.4983 -0.7689 0.4006 -0.7893 0.2111 -0.5766 76.319 -69.736 22.739 G 144 HIS A 116 HIS~? G 174 ASP C 445 ASP.? G 404 TYR A 94 TYR~? ULMNm 3 1js4_c00 ENDO-EXOCELLULASE E4 user 8 3 RMSD = 1.21 A TRANSFORM 0.4912 0.6534 0.5760 -0.8278 0.5560 0.0752 -0.2711 -0.5138 0.8140 41.978 27.134 53.727 A 55 ASP C 448 ASP.? A 58 ASP C 449 ASP.? A 424 GLU A 43 GLU.? ULMNm 3 1hto_c00 GLUTAMINE SYNTHETASE user 12 3 RMSD = 1.21 A TRANSFORM 0.5865 0.7099 0.3899 0.5998 -0.7042 0.3800 0.5443 0.0110 -0.8388 54.155 78.304 124.039 A 50 ASP C 511 ASP.? A 327 GLU A 33 GLU~? A 339 ARG A 30 ARG~? ULMNm 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 5 3 RMSD = 1.21 A TRANSFORM 0.6646 -0.5391 -0.5173 0.3142 0.8298 -0.4612 0.6779 0.1440 0.7209 21.773 75.681 -9.481 193 ASP B 273 ASP.? 231 ASP B 260 ASP~? 294 ASP B 285 ASP~? ULMNm 3 1m53_c06 ISOMALTULOSE SYNTHASE user 1 3 RMSD = 1.22 A TRANSFORM -0.9941 0.0533 0.0940 0.0476 -0.5653 0.8235 0.0970 0.8232 0.5595 11.520 87.365 64.471 A 241 ASP A 44 ASP.? A 279 GLU A 67 GLU~? A 369 ASP A 48 ASP.? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 7 3 RMSD = 1.22 A TRANSFORM -0.6912 -0.7220 -0.0307 0.2842 -0.2326 -0.9301 0.6644 -0.6516 0.3660 81.150 78.837 38.597 229 ASP B 273 ASP.? 264 GLU B 295 GLU~? 328 ASP B 285 ASP~? ULMNm 3 1ti6_c11 PYROGALLOL HYDROXYTRANSFERASE SMALL user 2 3 RMSD = 1.22 A TRANSFORM 0.1921 0.4660 -0.8637 -0.2097 0.8793 0.4277 0.9587 0.0990 0.2666 71.069 -2.995 6.764 K 144 HIS A 116 HIS~? K 174 ASP C 445 ASP.? K 404 TYR A 94 TYR~? ULMNm 3 3hde_o00 LYSOZYME user 2 3 RMSD = 1.23 A TRANSFORM 0.3356 0.6440 -0.6875 0.8156 0.1666 0.5541 0.4714 -0.7467 -0.4693 -38.923 -16.150 -6.886 A 35 GLU A 43 GLU.? A 44 ASP C 448 ASP.? A 50 THR A 98 THR~? ULMNm 3 1js4_c01 ENDO-EXOCELLULASE E4 user 18 3 RMSD = 1.23 A TRANSFORM 0.6362 -0.3886 -0.6665 0.7661 0.4206 0.4860 0.0915 -0.8198 0.5653 116.780 52.725 61.090 B 55 ASP C 448 ASP.? B 58 ASP C 449 ASP.? B 424 GLU A 43 GLU.? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 13 3 RMSD = 1.24 A TRANSFORM 0.4797 0.4860 0.7305 0.3618 0.6489 -0.6693 -0.7994 0.5854 0.1354 13.981 1.022 -29.084 A 465 GLY B 309 GLY.? A 501 ASP B 245 ASP.? B 367 TYR C 447 TYR.? ULMNm 3 1qho_c05 ALPHA-AMYLASE user 7 3 RMSD = 1.24 A TRANSFORM 0.4352 -0.8885 -0.1455 -0.7909 -0.3000 -0.5334 0.4303 0.3472 -0.8332 66.518 75.125 1.088 A 228 ASP C 445 ASP.? A 261 ASP A 44 ASP.? A 329 ASP C 449 ASP.? ULMNm 3 1j7g_c00 D-TYROSYL-TRNA(TYR) DEACYLASE user 5 3 RMSD = 1.24 A TRANSFORM -0.6213 0.7653 -0.1684 0.7776 0.5757 -0.2527 -0.0965 -0.2879 -0.9528 -18.170 -45.843 -19.758 A 78 GLN A 26 GLN~? A 79 PHE A 24 PHE~? A 80 THR A 23 THR~? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 12 3 RMSD = 1.25 A TRANSFORM -0.0168 -0.1749 0.9844 -0.5797 -0.8005 -0.1521 0.8147 -0.5732 -0.0880 46.382 68.456 -36.117 D 465 GLY B 309 GLY.? D 501 ASP B 245 ASP.? E 367 TYR C 447 TYR.? ULMNm 3 1j7g_c00 D-TYROSYL-TRNA(TYR) DEACYLASE user 12 3 RMSD = 1.26 A TRANSFORM -0.3108 -0.9448 -0.1041 -0.7210 0.3057 -0.6218 0.6193 -0.1182 -0.7762 61.875 -33.153 -9.199 A 78 GLN C 426 GLN~? A 79 PHE C 424 PHE~? A 80 THR C 423 THR~? ULMNm 3 1qho_c04 ALPHA-AMYLASE user 10 3 RMSD = 1.27 A TRANSFORM 0.3273 -0.9402 -0.0949 -0.7015 -0.1745 -0.6909 0.6331 0.2927 -0.7167 69.011 67.694 4.718 A 228 ASP C 445 ASP.? A 256 GLU C 435 GLU~? A 329 ASP C 449 ASP.? ULMNm 3 1qho_c04 ALPHA-AMYLASE user 1 3 RMSD = 1.27 A TRANSFORM -0.9025 0.4305 -0.0141 0.4012 0.8521 0.3362 0.1567 0.2978 -0.9417 11.425 45.120 -15.936 A 228 ASP A 44 ASP.? A 256 GLU A 35 GLU~? A 329 ASP A 49 ASP.? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 2 3 RMSD = 1.29 A TRANSFORM -0.2220 -0.7816 -0.5829 0.3038 0.5126 -0.8031 0.9265 -0.3553 0.1237 25.401 -14.719 105.848 A 241 ASP A 49 ASP.? A 265 GLU C 417 GLU~? A 369 ASP A 44 ASP.? ULMNm 3 2amg_c02 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 4 3 RMSD = 1.30 A TRANSFORM -0.2226 -0.5551 0.8015 0.5603 0.5999 0.5711 -0.7978 0.5762 0.1775 81.777 98.644 -10.670 193 ASP A 49 ASP.? 219 GLU A 35 GLU~? 294 ASP A 44 ASP.? ULMNm 3 1j7g_c00 D-TYROSYL-TRNA(TYR) DEACYLASE user 9 3 RMSD = 1.30 A TRANSFORM -0.9704 0.1748 -0.1668 -0.2300 -0.8797 0.4162 -0.0740 0.4422 0.8939 23.062 -5.793 -2.700 A 78 GLN B 226 GLN~? A 79 PHE B 224 PHE~? A 80 THR B 223 THR~? ULMNm 3 1uok_c03 OLIGO-1,6-GLUCOSIDASE user 1 3 RMSD = 1.31 A TRANSFORM -0.7755 0.6047 -0.1814 -0.1974 -0.5051 -0.8402 -0.5997 -0.6157 0.5111 19.286 29.231 57.822 199 ASP A 44 ASP.? 255 GLU A 35 GLU~? 329 ASP A 49 ASP.? ULMNm 3 1j7g_c00 D-TYROSYL-TRNA(TYR) DEACYLASE user 7 3 RMSD = 1.31 A TRANSFORM 0.9752 -0.1600 -0.1530 -0.0945 0.3240 -0.9413 0.2002 0.9324 0.3008 35.380 11.792 7.043 A 78 GLN B 213 GLN~? A 79 PHE B 216 PHE~? A 80 THR B 214 THR~? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 2 3 RMSD = 1.31 A TRANSFORM 0.6458 0.4541 0.6138 0.2301 0.6508 -0.7235 -0.7280 0.6085 0.3158 13.468 1.040 -28.531 A 465 GLY A 84 GLY.? A 501 ASP B 245 ASP.? B 367 TYR C 447 TYR.? ULMNm 3 1bf2_c00 ISOAMYLASE user 2 3 RMSD = 1.31 A TRANSFORM -0.0800 -0.2826 -0.9559 0.9787 -0.2044 -0.0215 -0.1893 -0.9372 0.2930 67.030 84.199 94.787 375 ASP A 49 ASP.? 435 GLU A 35 GLU~? 510 ASP A 44 ASP.? ULMNm 3 1amy_c05 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 9 3 RMSD = 1.31 A TRANSFORM 0.6565 -0.5509 -0.5152 -0.2977 -0.8168 0.4941 -0.6931 -0.1710 -0.7003 17.024 108.385 27.649 179 ASP C 445 ASP.? 204 GLU C 435 GLU~? 289 ASP C 449 ASP.? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 16 3 RMSD = 1.32 A TRANSFORM -0.2326 -0.8204 -0.5224 0.8083 -0.4618 0.3653 -0.5409 -0.3373 0.7705 50.307 71.350 -35.016 D 465 GLY C 509 GLY.? D 501 ASP B 249 ASP.? E 367 TYR A 115 TYR~? ULMNm 3 1cdg_c04 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 12 3 RMSD = 1.32 A TRANSFORM 0.5882 0.7176 -0.3730 -0.3837 0.6536 0.6524 0.7119 -0.2406 0.6597 9.596 70.331 61.555 229 ASP C 449 ASP.? 257 GLU C 435 GLU~? 328 ASP C 445 ASP.? ULMNm 3 1cdg_c04 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 3 3 RMSD = 1.32 A TRANSFORM 0.4461 -0.1481 -0.8827 0.5422 -0.7399 0.3981 -0.7121 -0.6562 -0.2498 22.986 133.321 61.386 229 ASP A 49 ASP.? 257 GLU A 35 GLU~? 328 ASP A 44 ASP.? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 2 3 RMSD = 1.32 A TRANSFORM 0.1929 -0.1953 0.9616 -0.6281 -0.7775 -0.0319 0.7538 -0.5978 -0.2727 46.070 68.829 -36.694 D 465 GLY A 84 GLY.? D 501 ASP B 245 ASP.? E 367 TYR C 447 TYR.? ULMNm 3 1cdg_c04 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 5 3 RMSD = 1.33 A TRANSFORM -0.3226 -0.9317 0.1670 -0.9405 0.2957 -0.1673 0.1065 -0.2110 -0.9717 53.701 85.165 44.484 229 ASP B 244 ASP~? 257 GLU B 235 GLU~? 328 ASP B 249 ASP.? ULMNm 3 2dbt_c00 CHITINASE C user 1 3 RMSD = 1.33 A TRANSFORM 0.4498 -0.1886 -0.8730 -0.1494 0.9478 -0.2818 0.8805 0.2572 0.3981 43.715 -33.415 4.202 A 147 GLU A 33 GLU~? A 156 GLU A 35 GLU~? A 194 ASN A 27 ASN~? ULMNm 3 1uok_c03 OLIGO-1,6-GLUCOSIDASE user 11 3 RMSD = 1.34 A TRANSFORM 0.3552 -0.8622 -0.3611 0.9348 0.3306 0.1300 0.0073 -0.3837 0.9234 82.567 23.133 44.707 199 ASP C 445 ASP.? 255 GLU C 435 GLU~? 329 ASP C 449 ASP.? ULMNm 3 2odj_o00 PORIN D user 2 3 RMSD = 1.34 A TRANSFORM 0.6357 0.6045 0.4802 0.7704 -0.5362 -0.3449 0.0490 0.5891 -0.8065 1.928 39.622 -8.874 A 156 HIS A 116 HIS~? A 208 ASP C 449 ASP.? A 296 SER A 51 SER~? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 1.34 A TRANSFORM -0.5553 -0.0386 0.8308 0.0931 0.9898 0.1082 -0.8264 0.1374 -0.5460 58.740 -113.855 -143.758 A 420 ALA B 305 ALA~? B 182 GLY A 84 GLY.? B 183 GLY B 309 GLY.? ULMNm 3 1uok_c03 OLIGO-1,6-GLUCOSIDASE user 4 3 RMSD = 1.35 A TRANSFORM 0.5067 -0.7512 0.4230 0.4372 0.6468 0.6249 -0.7430 -0.1317 0.6562 102.839 29.885 41.063 199 ASP A 49 ASP.? 255 GLU A 35 GLU~? 329 ASP A 44 ASP.? ULMNm 3 1uok_c03 OLIGO-1,6-GLUCOSIDASE user 8 3 RMSD = 1.35 A TRANSFORM 0.9876 -0.1113 -0.1105 -0.1537 -0.8270 -0.5408 -0.0312 0.5511 -0.8339 53.111 43.328 10.439 199 ASP B 249 ASP.? 255 GLU B 235 GLU~? 329 ASP B 244 ASP~? ULMNm 3 2dbt_c00 CHITINASE C user 2 3 RMSD = 1.36 A TRANSFORM 0.0689 -0.1212 0.9902 -0.9497 -0.3121 0.0279 0.3056 -0.9423 -0.1366 64.671 22.615 7.586 A 147 GLU B 233 GLU~? A 156 GLU B 235 GLU~? A 194 ASN B 227 ASN~? ULMNm 3 1pj5_c00 N,N-DIMETHYLGLYCINE OXIDASE user 5 3 RMSD = 1.36 A TRANSFORM 0.2698 0.0315 -0.9624 0.7068 -0.6853 0.1757 -0.6540 -0.7276 -0.2072 13.782 120.906 62.253 A 225 HIS C 516 HIS~? A 259 TYR C 494 TYR~? A 552 ASP A 46 ASP.? ULMNm 3 1uok_c03 OLIGO-1,6-GLUCOSIDASE user 3 3 RMSD = 1.36 A TRANSFORM -0.0145 -0.9305 0.3660 0.9806 -0.0848 -0.1769 0.1957 0.3563 0.9136 108.660 34.510 28.346 199 ASP A 48 ASP.? 255 GLU A 35 GLU~? 329 ASP A 44 ASP.? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 18 3 RMSD = 1.36 A TRANSFORM -0.8006 -0.1705 -0.5745 -0.3162 0.9345 0.1634 0.5090 0.3124 -0.8021 14.241 -3.870 -30.084 A 465 GLY C 509 GLY.? A 501 ASP B 249 ASP.? B 367 TYR A 115 TYR~? ULMNm 3 1cdg_c04 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 1 3 RMSD = 1.36 A TRANSFORM 0.6848 0.7220 -0.0983 -0.7252 0.6621 -0.1889 -0.0713 0.2006 0.9771 11.879 48.344 66.918 229 ASP A 44 ASP.? 257 GLU A 35 GLU~? 328 ASP A 49 ASP.? ULMNm 3 2dbt_c02 CHITINASE C user 2 3 RMSD = 1.37 A TRANSFORM 0.0293 -0.2740 -0.9613 0.9988 0.0460 0.0173 0.0395 -0.9606 0.2750 49.808 21.820 10.473 C 147 GLU B 233 GLU~? C 156 GLU B 235 GLU~? C 194 ASN B 227 ASN~? ULMNm 3 2amg_c02 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 15 3 RMSD = 1.38 A TRANSFORM 0.3489 0.2366 0.9068 -0.9258 0.2373 0.2943 -0.1456 -0.9422 0.3018 33.558 103.174 55.556 193 ASP C 449 ASP.? 219 GLU C 435 GLU~? 294 ASP C 444 ASP~? ULMNm 3 1xva_c03 GLYCINE N-METHYLTRANSFERASE user 4 3 RMSD = 1.38 A TRANSFORM -0.3133 0.5098 0.8012 0.7216 0.6763 -0.1481 -0.6174 0.5317 -0.5798 78.763 36.810 -7.975 B 137 GLY C 509 GLY.? B 175 ARG C 514 ARG~? B 242 TYR C 515 TYR~? ULMNm 3 1qho_c04 ALPHA-AMYLASE user 2 3 RMSD = 1.38 A TRANSFORM -0.9305 0.2271 -0.2875 0.3498 0.7842 -0.5125 0.1091 -0.5775 -0.8091 11.054 17.314 29.450 A 228 ASP A 45 ASP.? A 256 GLU A 35 GLU~? A 329 ASP A 49 ASP.? ULMNm 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 11 3 RMSD = 1.38 A TRANSFORM 0.3445 0.4751 0.8097 -0.6374 -0.5149 0.5733 0.6892 -0.7136 0.1254 23.689 134.709 40.807 193 ASP C 449 ASP.? 231 ASP A 49 ASP.? 294 ASP C 445 ASP.? ULMNm 3 1qho_c04 ALPHA-AMYLASE user 7 3 RMSD = 1.38 A TRANSFORM 0.9412 0.0678 -0.3311 0.2907 0.3369 0.8955 0.1723 -0.9391 0.2974 30.851 66.726 36.249 A 228 ASP B 249 ASP.? A 256 GLU B 235 GLU~? A 329 ASP B 244 ASP~? ULMNm 3 2dbt_c01 CHITINASE C user 3 3 RMSD = 1.39 A TRANSFORM -0.1921 0.4585 -0.8677 -0.9804 -0.1281 0.1493 -0.0427 0.8794 0.4741 54.983 69.073 12.967 B 147 GLU B 233 GLU~? B 156 GLU B 235 GLU~? B 194 ASN B 227 ASN~? ULMNm 3 1bf2_c00 ISOAMYLASE user 1 3 RMSD = 1.39 A TRANSFORM -0.8828 0.1002 -0.4589 0.1477 -0.8682 -0.4737 -0.4459 -0.4860 0.7517 67.364 97.863 90.598 375 ASP A 48 ASP.? 435 GLU A 35 GLU~? 510 ASP A 44 ASP.? ULMNm 3 1bf2_c00 ISOAMYLASE user 6 3 RMSD = 1.39 A TRANSFORM -0.0824 0.4155 0.9059 0.6138 -0.6950 0.3746 0.7852 0.5869 -0.1977 83.818 77.996 37.633 375 ASP B 249 ASP.? 435 GLU B 235 GLU~? 510 ASP B 244 ASP~? ULMNm 3 2dbt_c02 CHITINASE C user 1 3 RMSD = 1.39 A TRANSFORM -0.0667 0.3039 0.9504 0.4085 -0.8607 0.3039 0.9103 0.4085 -0.0667 65.989 73.172 -15.810 C 147 GLU A 33 GLU~? C 156 GLU A 35 GLU~? C 194 ASN A 27 ASN~? ULMNm 3 2dbt_c02 CHITINASE C user 4 3 RMSD = 1.39 A TRANSFORM -0.5524 -0.0341 0.8329 0.4726 0.8103 0.3466 -0.6867 0.5851 -0.4315 64.254 -5.848 -25.784 C 147 GLU C 433 GLU~? C 156 GLU C 435 GLU~? C 194 ASN C 427 ASN~? ULMNm 3 2dbt_c01 CHITINASE C user 5 3 RMSD = 1.40 A TRANSFORM -0.0053 -0.5771 0.8167 -0.4741 -0.7176 -0.5102 0.8805 -0.3898 -0.2698 95.201 89.681 28.668 B 147 GLU C 433 GLU~? B 156 GLU C 435 GLU~? B 194 ASN C 427 ASN~? ULMNm 3 1amy_c05 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 1 3 RMSD = 1.40 A TRANSFORM 0.2821 -0.9592 0.0208 -0.3232 -0.0746 0.9434 -0.9033 -0.2728 -0.3311 48.748 101.297 31.909 179 ASP A 48 ASP.? 204 GLU A 35 GLU~? 289 ASP A 44 ASP.? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 3 3 RMSD = 1.41 A TRANSFORM -0.3048 -0.4579 0.8351 -0.3720 -0.7500 -0.5470 0.8768 -0.4774 0.0583 82.141 35.157 24.367 A 67 ASP C 460 ASP~? A 68 ALA C 461 ALA~? A 72 LEU C 458 LEU~? ULMNm 3 1cdg_c04 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 4 3 RMSD = 1.41 A TRANSFORM 0.3914 -0.8307 -0.3959 0.5825 -0.1094 0.8054 -0.7124 -0.5458 0.4411 72.134 118.747 81.431 229 ASP A 49 ASP.? 257 GLU A 35 GLU~? 328 ASP A 45 ASP.? ULMNm 3 12as_c00 ASPARAGINE SYNTHETASE user 2 3 RMSD = 1.41 A TRANSFORM -0.2988 -0.9490 -0.1007 0.9484 -0.2836 -0.1414 0.1057 -0.1377 0.9848 67.610 26.720 42.256 A 46 ASP A 44 ASP.? A 100 ARG A 34 ARG~? A 116 GLN C 436 GLN~? ULMNm 3 2odj_o01 PORIN D user 1 3 RMSD = 1.41 A TRANSFORM -0.6792 0.6590 -0.3233 -0.6218 -0.7506 -0.2235 -0.3900 0.0492 0.9195 -36.628 11.775 84.923 B 156 HIS A 116 HIS~? B 208 ASP C 446 ASP.? B 296 SER B 259 SER~? ULMNm 3 1uok_c03 OLIGO-1,6-GLUCOSIDASE user 2 3 RMSD = 1.41 A TRANSFORM -0.8180 0.2018 -0.5386 -0.1967 -0.9781 -0.0677 -0.5405 0.0505 0.8398 25.112 79.263 38.987 199 ASP A 45 ASP.? 255 GLU A 35 GLU~? 329 ASP A 49 ASP.? ULMNm 3 2dbt_c01 CHITINASE C user 1 3 RMSD = 1.42 A TRANSFORM -0.7480 0.0932 0.6571 -0.2783 0.8548 -0.4381 -0.6025 -0.5106 -0.6135 74.845 13.097 20.849 B 147 GLU A 33 GLU~? B 156 GLU A 35 GLU~? B 194 ASN A 27 ASN~? ULMNm 3 2amg_c02 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 6 3 RMSD = 1.42 A TRANSFORM -0.3249 -0.1373 -0.9357 -0.5777 0.8122 0.0814 0.7488 0.5670 -0.3432 31.066 100.945 5.531 193 ASP B 244 ASP~? 219 GLU B 235 GLU~? 294 ASP B 248 ASP.? ULMNm 3 2dbt_c00 CHITINASE C user 4 3 RMSD = 1.42 A TRANSFORM 0.2757 0.3253 -0.9045 -0.6563 -0.6238 -0.4244 -0.7023 0.7107 0.0415 35.017 39.945 -25.716 A 147 GLU C 433 GLU~? A 156 GLU C 435 GLU~? A 194 ASN C 427 ASN~? ULMNm 3 1j7g_c00 D-TYROSYL-TRNA(TYR) DEACYLASE user 10 3 RMSD = 1.42 A TRANSFORM 0.2436 0.8825 0.4022 -0.0231 -0.4093 0.9121 0.9696 -0.2315 -0.0793 4.447 46.660 19.340 A 78 GLN C 413 GLN~? A 79 PHE C 416 PHE~? A 80 THR C 414 THR~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 2 3 RMSD = 1.42 A TRANSFORM -0.2269 0.0692 -0.9715 -0.9720 0.0467 0.2303 0.0613 0.9965 0.0567 48.658 11.201 -1.513 A 67 ASP B 260 ASP~? A 68 ALA B 261 ALA~? A 72 LEU B 258 LEU~? ULMNm 3 1qho_c04 ALPHA-AMYLASE user 3 3 RMSD = 1.42 A TRANSFORM 0.2679 -0.7716 0.5769 0.1535 -0.5570 -0.8162 0.9511 0.3072 -0.0308 87.470 67.433 16.620 A 228 ASP A 49 ASP.? A 256 GLU A 35 GLU~? A 329 ASP A 44 ASP.? ULMNm 3 1amy_c05 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 2 3 RMSD = 1.43 A TRANSFORM 0.8071 -0.4044 0.4301 -0.5714 -0.7184 0.3967 0.1486 -0.5659 -0.8110 38.483 110.946 28.277 179 ASP A 49 ASP.? 204 GLU A 35 GLU~? 289 ASP A 44 ASP.? ULMNm 3 1m53_c03 ISOMALTULOSE SYNTHASE user 2 3 RMSD = 1.44 A TRANSFORM 0.7265 0.6608 -0.1883 -0.6077 0.7458 0.2727 0.3207 -0.0837 0.9435 -22.118 9.490 119.902 A 241 ASP A 49 ASP.? A 295 GLU A 35 GLU~? A 369 ASP A 44 ASP.? ULMNm 3 1pj5_c00 N,N-DIMETHYLGLYCINE OXIDASE user 1 3 RMSD = 1.44 A TRANSFORM 0.5450 0.1851 -0.8177 -0.7999 -0.1773 -0.5733 -0.2511 0.9666 0.0514 -2.986 88.225 -12.840 A 225 HIS A 116 HIS~? A 259 TYR A 94 TYR~? A 552 ASP A 20 ASP~? ULMNm 3 1m53_c03 ISOMALTULOSE SYNTHASE user 1 3 RMSD = 1.45 A TRANSFORM 0.4732 -0.1285 -0.8715 0.4998 0.8538 0.1455 0.7254 -0.5044 0.4683 -10.776 0.401 121.982 A 241 ASP A 48 ASP.? A 295 GLU A 35 GLU~? A 369 ASP A 44 ASP.? ULMNm 3 1cwy_c00 AMYLOMALTASE user 6 3 RMSD = 1.45 A TRANSFORM 0.9299 -0.3030 0.2083 0.3619 0.6531 -0.6652 0.0655 0.6940 0.7170 -42.649 -30.844 -0.092 A 293 ASP B 249 ASP.? A 340 GLU B 235 GLU~? A 395 ASP B 245 ASP.? ULMNm 3 1cdg_c04 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 7 3 RMSD = 1.45 A TRANSFORM 0.0603 -0.1397 0.9884 0.9881 -0.1318 -0.0790 0.1413 0.9814 0.1301 46.196 85.019 34.250 229 ASP B 249 ASP.? 257 GLU B 235 GLU~? 328 ASP B 244 ASP~? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 1 3 RMSD = 1.46 A TRANSFORM 0.0215 0.8224 0.5685 0.8922 -0.2724 0.3603 0.4512 0.4994 -0.7396 28.824 112.077 -3.385 229 ASP A 49 ASP.? 264 GLU C 433 GLU~? 328 ASP A 44 ASP.? ULMNm 3 1amy_c05 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 6 3 RMSD = 1.46 A TRANSFORM 0.8378 -0.5410 -0.0731 0.4550 0.7660 -0.4541 0.3017 0.3472 0.8879 6.904 60.060 26.908 179 ASP B 249 ASP.? 204 GLU B 235 GLU~? 289 ASP B 244 ASP~? ULMNm 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 8 3 RMSD = 1.46 A TRANSFORM 0.8724 -0.0286 0.4880 -0.3770 0.5961 0.7089 -0.3111 -0.8024 0.5093 37.979 89.560 53.792 193 ASP C 448 ASP.? 231 ASP A 49 ASP.? 294 ASP C 444 ASP~? ULMNm 3 1j7g_c00 D-TYROSYL-TRNA(TYR) DEACYLASE user 3 3 RMSD = 1.46 A TRANSFORM 0.5363 -0.7031 0.4669 -0.5840 0.0902 0.8067 -0.6093 -0.7053 -0.3623 83.303 36.482 33.439 A 78 GLN A 13 GLN~? A 79 PHE A 16 PHE~? A 80 THR A 14 THR~? ULMNm 3 1m53_c03 ISOMALTULOSE SYNTHASE user 7 3 RMSD = 1.47 A TRANSFORM -0.2821 -0.9090 0.3067 -0.8177 0.0607 -0.5724 0.5017 -0.4123 -0.7605 19.647 35.805 85.931 A 241 ASP B 249 ASP.? A 295 GLU B 235 GLU~? A 369 ASP B 244 ASP~? ULMNm 3 1lci_c00 LUCIFERASE user 3 3 RMSD = 1.47 A TRANSFORM 0.4709 0.8453 -0.2525 0.2789 -0.4142 -0.8664 -0.8369 0.3376 -0.4308 -26.031 92.179 19.169 218 ARG C 434 ARG~? 245 HIS A 116 HIS~? 343 THR A 98 THR~? ULMNm 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 1 3 RMSD = 1.47 A TRANSFORM -0.5016 -0.3605 -0.7864 -0.5991 0.8005 0.0152 0.6241 0.4787 -0.6175 44.571 -2.115 -26.654 199 ASP A 45 ASP.? 242 GLU C 443 GLU~? 329 ASP A 49 ASP.? ULMNm 3 1qho_c07 ALPHA-AMYLASE user 2 3 RMSD = 1.47 A TRANSFORM 0.2147 -0.9260 -0.3106 -0.5103 0.1648 -0.8441 0.8328 0.3397 -0.4371 65.821 50.752 6.767 A 228 ASP C 445 ASP.? A 260 ASP A 45 ASP.? A 329 ASP C 449 ASP.? ULMNm 3 1qho_c07 ALPHA-AMYLASE user 1 3 RMSD = 1.48 A TRANSFORM -0.3914 -0.9147 -0.1005 -0.7072 0.3689 -0.6032 0.5888 -0.1650 -0.7913 72.290 47.986 20.487 A 228 ASP C 444 ASP~? A 260 ASP A 45 ASP.? A 329 ASP C 449 ASP.? ULMNm 3 1eyi_c00 FRUCTOSE-1,6-BISPHOSPHATASE user 2 3 RMSD = 1.48 A TRANSFORM 0.0752 -0.7623 -0.6428 0.8660 0.3695 -0.3369 0.4943 -0.5313 0.6880 27.907 -16.715 69.441 A 68 ASP A 44 ASP.? A 74 ASP A 49 ASP.? A 98 GLU A 35 GLU~? ULMNm 3 1cdg_c04 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 9 3 RMSD = 1.48 A TRANSFORM -0.9444 0.1502 -0.2925 -0.1403 -0.9886 -0.0545 -0.2974 -0.0104 0.9547 38.730 126.923 59.759 229 ASP C 444 ASP~? 257 GLU C 435 GLU~? 328 ASP C 449 ASP.? ULMNm 3 2r11_o02 CARBOXYLESTERASE NP user 7 3 RMSD = 1.48 A TRANSFORM -0.4536 0.2263 -0.8620 0.6928 -0.5189 -0.5008 -0.5606 -0.8244 0.0785 -44.959 74.552 75.973 C 130 SER A 59 SER~? C 166 PHE A 100 PHE~? C 182 PHE C 424 PHE~? ULMNm 3 1vzz_c00 STEROID DELTA-ISOMERASE user 8 3 RMSD = 1.49 A TRANSFORM -0.8956 0.1158 -0.4295 0.4313 -0.0107 -0.9022 -0.1091 -0.9932 -0.0403 12.506 6.091 55.298 A 16 TYR C 442 TYR~? A 40 ASP C 460 ASP~? A 103 LEU C 458 LEU~? ULMNm 3 1xva_c03 GLYCINE N-METHYLTRANSFERASE user 2 3 RMSD = 1.49 A TRANSFORM 0.6317 -0.3816 -0.6748 0.7752 0.3088 0.5511 -0.0019 -0.8712 0.4909 88.804 67.489 28.103 B 137 GLY B 309 GLY.? B 175 ARG B 314 ARG~? B 242 TYR B 315 TYR~? ULMNm 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 2 3 RMSD = 1.49 A TRANSFORM 0.8725 0.4437 0.2046 0.4470 -0.8939 0.0320 0.1971 0.0635 -0.9783 53.171 48.706 -14.181 199 ASP A 73 ASP.? 218 GLU C 435 GLU~? 329 ASP B 311 ASP.? ULMNm 3 2amg_c02 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 5 3 RMSD = 1.50 A TRANSFORM -0.1475 0.4723 0.8690 0.6427 0.7136 -0.2787 -0.7518 0.5174 -0.4088 36.786 62.767 -28.772 193 ASP A 49 ASP.? 219 GLU A 35 GLU~? 294 ASP A 45 ASP.? ULMNm 3 2r11_o00 CARBOXYLESTERASE NP user 10 3 RMSD = 1.50 A TRANSFORM 0.7128 0.3590 0.6026 -0.6877 0.5269 0.4995 -0.1381 -0.7704 0.6224 -29.659 26.674 128.575 A 130 SER A 59 SER~? A 166 PHE A 100 PHE~? A 182 PHE C 424 PHE~?