*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1boo_c00 N-4 CYTOSINE-SPECIFIC METHYLTRANSFERuser 5 3 RMSD = 0.68 A TRANSFORM -0.9983 0.0372 0.0442 0.0565 0.4719 0.8798 -0.0119 -0.8809 0.4732 138.900 -71.379 133.873 A 53 SER C 90 SER.? A 54 PRO C 91 PRO.? A 96 ASP C 89 ASP.? ULMNm 3 1boo_c00 N-4 CYTOSINE-SPECIFIC METHYLTRANSFERuser 3 3 RMSD = 0.75 A TRANSFORM -0.5222 0.2010 0.8288 0.5750 -0.6347 0.5162 -0.6298 -0.7462 -0.2159 44.195 3.604 250.324 A 53 SER B 90 SER.? A 54 PRO B 91 PRO.? A 96 ASP B 89 ASP.? ULMNm 3 1rtu_c00 RIBONUCLEASE U2 user 2 3 RMSD = 0.87 A TRANSFORM -0.5553 -0.2096 0.8048 0.4226 0.7623 0.4902 0.7162 -0.6124 0.3347 129.588 -172.288 -34.995 41 HIS A 104 HIS^? 62 GLU A 165 GLU^? 101 HIS A 96 HIS^? ULMNm 3 1rtu_c00 RIBONUCLEASE U2 user 6 3 RMSD = 0.90 A TRANSFORM 0.9080 0.4076 -0.0969 0.2658 -0.3816 0.8853 -0.3239 0.8296 0.4548 -182.387 1.215 -59.523 41 HIS C 104 HIS^? 62 GLU C 165 GLU^? 101 HIS C 96 HIS^? ULMNm 3 1de3_c00 RIBONUCLEASE ALPHA-SARCIN user 9 3 RMSD = 0.91 A TRANSFORM -0.5243 0.8153 0.2455 0.4758 0.5197 -0.7096 0.7062 0.2553 0.6604 -29.203 -116.939 -166.904 A 50 HIS C 104 HIS^? A 96 GLU C 165 GLU^? A 137 HIS C 96 HIS^? ULMNm 3 1boo_c00 N-4 CYTOSINE-SPECIFIC METHYLTRANSFERuser 2 3 RMSD = 0.92 A TRANSFORM 0.5875 -0.2591 -0.7666 0.7930 -0.0043 0.6092 0.1612 0.9658 -0.2029 -69.442 -126.000 -131.684 A 53 SER A 90 SER.? A 54 PRO A 91 PRO.? A 96 ASP A 89 ASP.? ULMNm 3 1rtu_c00 RIBONUCLEASE U2 user 4 3 RMSD = 0.97 A TRANSFORM 0.8176 0.0837 -0.5697 0.0508 -0.9960 -0.0734 0.5736 -0.0310 0.8186 -140.414 149.038 -97.068 41 HIS B 104 HIS^? 62 GLU B 165 GLU^? 101 HIS B 96 HIS^? ULMNm 3 1r4f_c00 IAG-NUCLEOSIDE HYDROLASE user 3 3 RMSD = 0.97 A TRANSFORM 0.1571 0.3321 0.9301 0.7183 -0.6847 0.1232 -0.6778 -0.6487 0.3461 -89.005 -18.473 196.776 A 10 ASP C 119 ASP.? A 186 ASN B 35 ASN~? A 260 ALA C 9 ALA.? ULMNm 3 1de3_c00 RIBONUCLEASE ALPHA-SARCIN user 6 3 RMSD = 0.97 A TRANSFORM 0.4000 0.1886 0.8969 0.5216 0.7578 -0.3920 0.7536 -0.6246 -0.2047 -106.572 -188.869 -49.076 A 50 HIS B 104 HIS^? A 96 GLU B 165 GLU^? A 137 HIS B 96 HIS^? ULMNm 3 1de3_c00 RIBONUCLEASE ALPHA-SARCIN user 3 3 RMSD = 0.98 A TRANSFORM 0.6808 -0.7290 0.0713 -0.7242 -0.6552 0.2149 0.1100 0.1979 0.9740 -17.570 225.731 -64.513 A 50 HIS A 104 HIS^? A 96 GLU A 165 GLU^? A 137 HIS A 96 HIS^? ULMNm 3 1e7l_c01 RECOMBINATION ENDONUCLEASE VII user 2 3 RMSD = 1.00 A TRANSFORM -0.4021 -0.5032 -0.7649 -0.4049 0.8470 -0.3444 -0.8212 -0.1712 0.5443 160.061 -11.417 191.802 B 41 HIS B 176 HIS^? B 43 HIS B 96 HIS^? B 65 GLU B 165 GLU^? ULMNm 3 1e7l_c01 RECOMBINATION ENDONUCLEASE VII user 3 3 RMSD = 1.01 A TRANSFORM 0.4683 -0.8798 0.0812 -0.0829 -0.1353 -0.9873 -0.8796 -0.4557 0.1363 47.987 89.147 221.648 B 41 HIS C 176 HIS^? B 43 HIS C 96 HIS^? B 65 GLU C 165 GLU^? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 3 3 RMSD = 1.02 A TRANSFORM -0.7198 -0.5967 0.3547 -0.0407 -0.4737 -0.8797 -0.6930 0.6477 -0.3167 211.423 5.453 -83.397 A 420 ALA C 201 ALA~? B 182 GLY C 45 GLY.? B 183 GLY C 93 GLY^? ULMNm 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 1 3 RMSD = 1.02 A TRANSFORM 0.6784 -0.6792 -0.2800 -0.0061 -0.3863 0.9224 0.7347 0.6240 0.2662 21.706 34.943 -190.087 A 198 GLY A 45 GLY.? A 228 SER A 90 SER.? A 549 ASP A 89 ASP.? ULMNm 3 1ni4_c00 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 8 3 RMSD = 1.07 A TRANSFORM -0.0464 0.9789 0.1988 -0.9457 -0.1072 0.3068 -0.3217 0.1737 -0.9308 -104.523 163.745 158.401 B 59 GLU C 184 GLU~? B 128 HIS C 202 HIS.? C 263 HIS C 176 HIS^? ULMNm 3 1e7l_c01 RECOMBINATION ENDONUCLEASE VII user 1 3 RMSD = 1.08 A TRANSFORM -0.4068 0.9132 0.0255 -0.6687 -0.2787 -0.6894 0.6224 0.2975 -0.7240 -48.347 198.740 -117.512 B 41 HIS A 176 HIS^? B 43 HIS A 96 HIS^? B 65 GLU A 165 GLU^? ULMNm 3 1ni4_c00 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 3 3 RMSD = 1.08 A TRANSFORM 0.4313 -0.7839 0.4466 0.7658 0.0564 -0.6406 -0.4770 -0.6183 -0.6247 49.828 -127.384 286.217 B 59 GLU A 184 GLU~? B 128 HIS A 202 HIS.? C 263 HIS A 176 HIS^? ULMNm 3 1ni4_c01 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 8 3 RMSD = 1.08 A TRANSFORM 0.1840 -0.8315 -0.5242 0.5865 -0.3351 0.7374 0.7888 0.4431 -0.4260 98.150 -99.838 -91.853 A 263 HIS C 176 HIS^? D 59 GLU C 184 GLU~? D 128 HIS C 202 HIS.? ULMNm 3 1b2m_c00 5'-R(*GP*(CH2)U)-3' user 5 3 RMSD = 1.08 A TRANSFORM -0.2482 0.8514 -0.4620 0.8504 0.4200 0.3170 -0.4639 0.3142 0.8283 -41.756 -176.125 4.962 A 40 HIS C 104 HIS^? A 58 GLU C 165 GLU^? A 92 HIS C 176 HIS^? ULMNm 3 1bfd_c00 BENZOYLFORMATE DECARBOXYLASE user 20 3 RMSD = 1.09 A TRANSFORM 0.4070 0.9054 -0.1206 0.3275 -0.2679 -0.9061 0.8527 -0.3293 0.4056 -122.816 36.234 39.733 28 GLU B 165 GLU^? 70 HIS B 104 HIS^? 281 HIS A 202 HIS.? ULMNm 3 1ni4_c01 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 3 3 RMSD = 1.09 A TRANSFORM -0.7227 0.5380 -0.4339 0.1320 0.7237 0.6774 -0.6784 -0.4322 0.5941 62.660 -166.291 253.510 A 263 HIS A 176 HIS^? D 59 GLU A 184 GLU~? D 128 HIS A 202 HIS.? ULMNm 3 1cjy_c01 CYTOSOLIC PHOSPHOLIPASE A2 user 4 3 RMSD = 1.09 A TRANSFORM 0.8016 -0.4372 0.4078 0.2653 -0.3511 -0.8980 -0.5358 -0.8280 0.1654 28.598 86.525 319.325 B1198 GLY B 46 GLY.? B1228 SER B 90 SER.? B1549 ASP B 89 ASP.? ULMNm 3 1hrk_c01 FERROCHELATASE user 3 3 RMSD = 1.09 A TRANSFORM 0.9745 0.1980 0.1056 -0.2091 0.9720 0.1076 0.0814 0.1269 -0.9886 -203.706 -126.392 -22.409 B 263 HIS A 96 HIS^? B 341 HIS A 42 HIS.? B 343 GLU A 44 GLU.? ULMNm 3 2dbt_c00 CHITINASE C user 1 3 RMSD = 1.10 A TRANSFORM 0.8053 -0.4460 -0.3907 -0.4839 -0.1137 -0.8677 -0.3426 -0.8878 0.3074 2.296 160.407 196.682 A 147 GLU A 14 GLU.? A 156 GLU A 196 GLU~? A 194 ASN A 10 ASN.? ULMNm 3 1cjy_c01 CYTOSOLIC PHOSPHOLIPASE A2 user 7 3 RMSD = 1.11 A TRANSFORM 0.1959 0.6828 0.7038 0.9566 -0.2910 0.0160 -0.2157 -0.6701 0.7102 -23.961 -37.949 210.673 B1198 GLY C 46 GLY.? B1228 SER C 90 SER.? B1549 ASP C 89 ASP.? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 1.11 A TRANSFORM 0.5823 0.4922 -0.6470 -0.7766 0.1014 -0.6218 0.2404 -0.8646 -0.4413 -135.223 44.449 -30.124 A 420 ALA A 201 ALA~? B 182 GLY A 45 GLY.? B 183 GLY A 93 GLY^? ULMNm 3 1b2m_c00 5'-R(*GP*(CH2)U)-3' user 2 3 RMSD = 1.12 A TRANSFORM -0.5322 -0.8449 -0.0544 -0.3372 0.1526 0.9290 0.7766 -0.5128 0.3660 234.799 47.768 -72.216 A 40 HIS A 104 HIS^? A 58 GLU A 165 GLU^? A 92 HIS A 42 HIS.? ULMNm 3 1cjy_c01 CYTOSOLIC PHOSPHOLIPASE A2 user 1 3 RMSD = 1.12 A TRANSFORM 0.5158 -0.6812 0.5195 -0.4241 0.3239 0.8457 0.7444 0.6565 0.1218 121.869 90.001 -122.851 B1198 GLY A 45 GLY.? B1228 SER A 90 SER.? B1549 ASP A 89 ASP.? ULMNm 3 1hrk_c00 FERROCHELATASE user 3 3 RMSD = 1.12 A TRANSFORM -0.9693 -0.2187 -0.1124 0.2291 -0.9693 -0.0891 0.0894 0.1121 -0.9897 207.589 121.886 -21.507 A 263 HIS A 96 HIS^? A 341 HIS A 42 HIS.? A 343 GLU A 44 GLU.? ULMNm 3 2dbt_c01 CHITINASE C user 8 3 RMSD = 1.13 A TRANSFORM -0.9600 -0.1549 0.2333 -0.1909 0.9715 -0.1403 0.2049 0.1792 0.9622 235.655 -27.683 -57.126 B 147 GLU B 165 GLU^? B 156 GLU B 50 GLU^? B 194 ASN B 100 ASN.? ULMNm 3 2dbt_c01 CHITINASE C user 12 3 RMSD = 1.14 A TRANSFORM -0.6831 -0.7279 0.0600 -0.2380 0.1442 -0.9605 -0.6905 0.6704 0.2718 245.174 117.857 28.812 B 147 GLU C 165 GLU^? B 156 GLU C 50 GLU^? B 194 ASN C 100 ASN.? ULMNm 3 1ga8_c00 GALACTOSYL TRANSFERASE LGTC user 4 3 RMSD = 1.14 A TRANSFORM -0.8378 -0.1922 -0.5111 0.3642 0.5006 -0.7853 -0.4068 0.8441 0.3494 219.252 -48.131 24.030 A 130 ASP B 36 ASP~? A 153 ASN B 35 ASN~? A 189 GLN C 121 GLN.? ULMNm 3 1qho_c07 ALPHA-AMYLASE user 6 3 RMSD = 1.14 A TRANSFORM -0.1282 -0.8247 0.5508 0.9805 -0.0219 0.1953 0.1490 -0.5651 -0.8114 139.295 -108.828 101.756 A 228 ASP B 36 ASP~? A 260 ASP B 158 ASP.? A 329 ASP C 119 ASP.? ULMNm 3 1b2m_c00 5'-R(*GP*(CH2)U)-3' user 3 3 RMSD = 1.14 A TRANSFORM 0.3126 0.9444 -0.1021 0.7670 -0.3144 -0.5593 0.5603 -0.0966 0.8226 -167.498 -65.308 -96.947 A 40 HIS B 104 HIS^? A 58 GLU B 165 GLU^? A 92 HIS B 42 HIS.? ULMNm 3 2dbt_c01 CHITINASE C user 10 3 RMSD = 1.14 A TRANSFORM 0.6192 -0.7837 0.0486 -0.4991 -0.4406 -0.7461 -0.6061 -0.4378 0.6640 42.454 249.850 145.608 B 147 GLU C 14 GLU.? B 156 GLU C 196 GLU~? B 194 ASN C 10 ASN.? ULMNm 3 2dbt_c02 CHITINASE C user 10 3 RMSD = 1.14 A TRANSFORM -0.7897 -0.3682 -0.4907 0.3675 -0.9244 0.1021 0.4912 0.0997 -0.8653 238.814 82.762 -76.005 C 147 GLU B 165 GLU^? C 156 GLU B 50 GLU^? C 194 ASN B 100 ASN.? ULMNm 3 1qfe_c00 3-DEHYDROQUINATE DEHYDRATASE user 9 3 RMSD = 1.15 A TRANSFORM 0.4340 0.8682 -0.2405 0.7444 -0.1952 0.6386 -0.5075 0.4561 0.7310 -163.331 -94.206 45.517 A 86 GLU C 44 GLU.? A 143 HIS C 96 HIS^? A 170 LYS C 147 LYS^? ULMNm 3 2dbt_c02 CHITINASE C user 15 3 RMSD = 1.16 A TRANSFORM 0.0377 -0.9992 -0.0153 0.3552 -0.0010 0.9348 0.9340 0.0407 -0.3549 165.203 -61.339 -125.815 C 147 GLU C 165 GLU^? C 156 GLU C 50 GLU^? C 194 ASN C 100 ASN.? ULMNm 3 1bol_c00 RIBONUCLEASE RH user 2 3 RMSD = 1.16 A TRANSFORM 0.5065 0.7534 0.4194 0.8516 -0.3608 -0.3802 0.1351 -0.5497 0.8243 -177.402 -65.894 46.138 A 46 HIS A 176 HIS^? A 105 GLU A 44 GLU.? A 109 HIS A 42 HIS.? ULMNm 3 1qfe_c01 3-DEHYDROQUINATE DEHYDRATASE user 9 3 RMSD = 1.16 A TRANSFORM -0.8471 0.0849 -0.5247 -0.2608 -0.9265 0.2712 0.4631 -0.3666 -0.8070 159.657 176.575 13.008 B 86 GLU C 44 GLU.? B 143 HIS C 96 HIS^? B 170 LYS C 147 LYS^? ULMNm 3 1b2m_c01 5'-R(*GP*(CH2)U)-3' user 2 3 RMSD = 1.16 A TRANSFORM -0.8312 0.1073 0.5455 -0.2632 -0.9402 -0.2161 -0.4897 0.3232 -0.8098 135.222 226.670 74.875 B 40 HIS A 104 HIS^? B 58 GLU A 165 GLU^? B 92 HIS A 42 HIS.? ULMNm 3 1vom_c00 MYOSIN user 3 3 RMSD = 1.16 A TRANSFORM -0.3127 0.8673 0.3874 0.5071 -0.1924 0.8401 -0.8031 -0.4592 0.3796 4.155 -51.493 178.448 233 ASN B 154 ASN.? 457 GLY B 128 GLY.? 459 GLU B 135 GLU.? ULMNm 3 2dbt_c01 CHITINASE C user 4 3 RMSD = 1.17 A TRANSFORM 0.3022 0.5065 -0.8076 -0.6110 -0.5474 -0.5719 0.7317 -0.6662 -0.1440 -70.735 266.738 -18.572 B 147 GLU A 165 GLU^? B 156 GLU A 50 GLU^? B 194 ASN A 100 ASN.? ULMNm 3 1b2m_c01 5'-R(*GP*(CH2)U)-3' user 3 3 RMSD = 1.17 A TRANSFORM 0.4281 0.1077 -0.8973 0.2184 0.9511 0.2184 -0.8769 0.2895 -0.3836 -72.296 -130.964 142.862 B 40 HIS B 104 HIS^? B 58 GLU B 165 GLU^? B 92 HIS B 42 HIS.? ULMNm 3 1bd3_c00 URACIL PHOSPHORIBOSYLTRANSFERASE user 2 3 RMSD = 1.18 A TRANSFORM 0.9358 -0.0308 -0.3511 0.3513 0.0009 0.9362 0.0285 0.9995 -0.0117 -146.217 18.468 -113.803 A 137 ARG A 101 ARG.? A 141 THR B 80 THR^? A 235 ASP A 175 ASP.? ULMNm 3 2dbt_c02 CHITINASE C user 5 3 RMSD = 1.19 A TRANSFORM -0.2157 0.8972 -0.3853 0.5501 0.4377 0.7112 -0.8067 0.0586 0.5880 -43.643 -149.213 144.212 C 147 GLU A 165 GLU^? C 156 GLU A 50 GLU^? C 194 ASN A 100 ASN.? ULMNm 3 1bfd_c00 BENZOYLFORMATE DECARBOXYLASE user 7 3 RMSD = 1.19 A TRANSFORM -0.5039 -0.8217 -0.2665 -0.3472 0.4751 -0.8085 -0.7909 0.3149 0.5247 294.826 51.987 246.420 28 GLU A 44 GLU.? 70 HIS A 176 HIS^? 281 HIS B 42 HIS.? ULMNm 3 1bd3_c00 URACIL PHOSPHORIBOSYLTRANSFERASE user 4 3 RMSD = 1.19 A TRANSFORM -0.2264 -0.3327 0.9154 0.8219 -0.5697 -0.0037 -0.5227 -0.7515 -0.4024 88.855 25.837 236.910 A 137 ARG B 101 ARG.? A 141 THR A 80 THR^? A 235 ASP B 175 ASP.? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 1 3 RMSD = 1.19 A TRANSFORM 0.0713 0.3254 0.9429 -0.9943 0.0977 0.0415 0.0787 0.9405 -0.3305 -83.339 156.259 -165.489 14 ASP A 175 ASP.? 16 HIS A 176 HIS^? 67 GLY A 120 GLY.? ULMNm 3 1cjy_c01 CYTOSOLIC PHOSPHOLIPASE A2 user 3 3 RMSD = 1.20 A TRANSFORM 0.7544 0.0912 0.6500 0.6563 -0.1166 -0.7454 -0.0078 -0.9890 0.1478 -30.100 -15.528 243.314 B1198 GLY B 45 GLY.? B1228 SER B 90 SER.? B1549 ASP B 89 ASP.? ULMNm 3 1cjy_c01 CYTOSOLIC PHOSPHOLIPASE A2 user 6 3 RMSD = 1.20 A TRANSFORM -0.1483 0.9383 0.3125 0.9807 0.1802 -0.0755 0.1271 -0.2953 0.9469 17.378 -97.737 97.229 B1198 GLY C 45 GLY.? B1228 SER C 90 SER.? B1549 ASP C 89 ASP.? ULMNm 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 4 3 RMSD = 1.21 A TRANSFORM 0.2999 -0.0646 0.9518 0.8583 -0.4173 -0.2987 -0.4164 -0.9065 0.0697 -21.121 -105.357 238.050 A 198 GLY B 46 GLY.? A 228 SER B 90 SER.? A 549 ASP B 89 ASP.? ULMNm 3 2dbt_c02 CHITINASE C user 11 3 RMSD = 1.21 A TRANSFORM 0.9269 -0.1847 -0.3268 0.3715 0.5764 0.7279 -0.0539 0.7961 -0.6028 -76.424 -152.681 -53.140 C 147 GLU C 14 GLU.? C 156 GLU C 196 GLU~? C 194 ASN C 10 ASN.? ULMNm 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 7 3 RMSD = 1.22 A TRANSFORM -0.6025 0.6324 0.4869 0.7962 0.4347 0.4207 -0.0544 -0.6412 0.7655 32.760 -206.917 108.062 A 198 GLY C 46 GLY.? A 228 SER C 90 SER.? A 549 ASP C 89 ASP.? ULMNm 3 2dbt_c00 CHITINASE C user 9 3 RMSD = 1.23 A TRANSFORM 0.9436 0.3085 0.1203 -0.2520 0.9047 -0.3435 0.2148 -0.2938 -0.9314 -138.014 -52.388 21.640 A 147 GLU B 165 GLU^? A 156 GLU B 50 GLU^? A 194 ASN B 100 ASN.? ULMNm 3 1b2m_c00 5'-R(*GP*(CH2)U)-3' user 4 3 RMSD = 1.23 A TRANSFORM 0.0464 0.5579 -0.8286 0.9365 0.2644 0.2305 -0.3477 0.7866 0.5102 -37.387 -166.489 -63.006 A 40 HIS C 104 HIS^? A 58 GLU C 165 GLU^? A 92 HIS C 42 HIS.? ULMNm 3 1b57_c00 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 2 3 RMSD = 1.23 A TRANSFORM 0.1341 0.5198 0.8437 -0.3552 -0.7696 0.5306 -0.9251 0.3708 -0.0815 -90.957 179.126 231.917 A 109 ASP C 119 ASP.? A 182 GLU B 25 GLU.? A 286 ASN B 35 ASN~? ULMNm 3 2dbt_c00 CHITINASE C user 14 3 RMSD = 1.23 A TRANSFORM 0.3561 0.9328 -0.0555 -0.0949 -0.0229 -0.9952 0.9296 -0.3597 -0.0804 -100.539 70.881 -88.223 A 147 GLU C 165 GLU^? A 156 GLU C 50 GLU^? A 194 ASN C 100 ASN.? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 3 3 RMSD = 1.23 A TRANSFORM 0.6173 -0.7129 -0.3328 0.0720 0.4724 -0.8784 -0.7834 -0.5183 -0.3430 -19.722 -74.514 195.641 14 ASP B 175 ASP.? 16 HIS B 176 HIS^? 67 GLY B 120 GLY.? ULMNm 3 1bd3_c02 URACIL PHOSPHORIBOSYLTRANSFERASE user 5 3 RMSD = 1.24 A TRANSFORM 0.2408 0.3361 -0.9105 -0.8283 0.5602 -0.0123 -0.5059 -0.7571 -0.4133 -91.866 137.875 234.874 C 137 ARG B 101 ARG.? C 141 THR A 80 THR^? C 235 ASP B 175 ASP.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 11 3 RMSD = 1.24 A TRANSFORM -0.1538 -0.8596 -0.4872 0.2594 -0.5109 0.8196 0.9534 0.0003 -0.3016 129.456 16.002 -164.847 141 ASP B 183 ASP~? 166 GLY B 93 GLY^? 169 GLU B 165 GLU^? ULMNm 3 1pnl_c00 PENICILLIN AMIDOHYDROLASE user 6 3 RMSD = 1.24 A TRANSFORM -0.6100 0.7891 0.0726 -0.1933 -0.0594 -0.9793 0.7685 0.6114 -0.1888 33.094 90.687 -187.118 B 1 SER B 124 SER^? B 69 ALA B 11 ALA.? B 241 ASN B 10 ASN.? ULMNm 3 2dbt_c00 CHITINASE C user 10 3 RMSD = 1.24 A TRANSFORM -0.8426 0.5255 0.1178 -0.3412 -0.3516 -0.8717 0.4167 0.7747 -0.4756 142.188 169.820 -143.277 A 147 GLU C 14 GLU.? A 156 GLU C 196 GLU~? A 194 ASN C 10 ASN.? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 5 3 RMSD = 1.25 A TRANSFORM 0.7662 0.0670 0.6391 0.6315 -0.2628 -0.7295 -0.1191 -0.9625 0.2437 -159.266 -51.387 116.275 14 ASP C 175 ASP.? 16 HIS C 176 HIS^? 67 GLY C 120 GLY.? ULMNm 3 1ni4_c00 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 4 3 RMSD = 1.26 A TRANSFORM -0.2139 -0.4942 -0.8426 0.6415 -0.7216 0.2603 0.7367 0.4848 -0.4714 125.097 -10.811 -99.540 B 59 GLU B 50 GLU^? B 128 HIS B 42 HIS.? C 263 HIS B 104 HIS^? ULMNm 3 1ni4_c01 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 4 3 RMSD = 1.26 A TRANSFORM 0.2537 0.7709 0.5843 -0.8300 -0.1367 0.5408 -0.4967 0.6221 -0.6051 -145.458 143.703 83.888 A 263 HIS B 104 HIS^? D 59 GLU B 50 GLU^? D 128 HIS B 42 HIS.? ULMNm 3 1bd3_c02 URACIL PHOSPHORIBOSYLTRANSFERASE user 2 3 RMSD = 1.26 A TRANSFORM -0.9329 0.0180 0.3596 -0.3594 0.0160 -0.9331 0.0226 0.9997 0.0084 147.510 141.573 -112.962 C 137 ARG A 101 ARG.? C 141 THR B 80 THR^? C 235 ASP A 175 ASP.? ULMNm 3 2dbt_c02 CHITINASE C user 1 3 RMSD = 1.27 A TRANSFORM -0.8894 0.0533 0.4540 0.4419 -0.1533 0.8839 -0.1167 -0.9867 -0.1128 186.284 -67.362 189.509 C 147 GLU A 14 GLU.? C 156 GLU A 196 GLU~? C 194 ASN A 10 ASN.? ULMNm 3 1ctn_c00 CHITINASE A (E.C.3.2.1.14) (PH 5.5, user 1 3 RMSD = 1.27 A TRANSFORM 0.0925 -0.6251 0.7750 -0.4728 0.6574 0.5867 0.8763 0.4207 0.2347 61.809 85.028 -194.491 313 ASP C 119 ASP.? 315 GLU B 25 GLU.? 390 TYR B 47 TYR^? ULMNm 3 2dbt_c00 CHITINASE C user 5 3 RMSD = 1.27 A TRANSFORM -0.0764 -0.7686 0.6352 -0.7503 -0.3752 -0.5443 -0.6567 0.5182 0.5480 190.109 219.481 44.973 A 147 GLU A 165 GLU^? A 156 GLU A 50 GLU^? A 194 ASN A 100 ASN.? ULMNm 3 1bol_c00 RIBONUCLEASE RH user 1 3 RMSD = 1.27 A TRANSFORM -0.3334 -0.5312 0.7789 -0.9378 0.2714 -0.2163 0.0965 0.8026 0.5886 175.613 169.430 -154.156 A 46 HIS A 42 HIS.? A 105 GLU A 44 GLU.? A 109 HIS A 176 HIS^? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 RMSD = 1.27 A TRANSFORM -0.7845 -0.3994 0.4743 -0.6191 0.5475 -0.5630 0.0348 0.7353 0.6768 221.063 -48.067 -232.070 A 420 ALA B 201 ALA.? B 182 GLY B 45 GLY.? B 183 GLY B 93 GLY^? ULMNm 3 1itx_c00 GLYCOSYL HYDROLASE user 1 3 RMSD = 1.28 A TRANSFORM -0.7905 -0.4862 -0.3724 -0.5488 0.8323 0.0782 -0.2720 -0.2662 0.9248 217.039 2.701 77.123 A 202 ASP C 119 ASP.? A 204 GLU B 25 GLU.? A 279 TYR B 47 TYR^? ULMNm 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 3 3 RMSD = 1.28 A TRANSFORM 0.0223 0.1314 0.9911 0.9929 0.1130 -0.0373 0.1169 -0.9849 0.1280 5.654 -197.887 149.612 A 198 GLY B 45 GLY.? A 228 SER B 90 SER.? A 549 ASP B 89 ASP.? ULMNm 3 1b2m_c01 5'-R(*GP*(CH2)U)-3' user 4 3 RMSD = 1.28 A TRANSFORM 0.9361 -0.0091 -0.3517 -0.2680 0.6289 -0.7298 -0.2278 -0.7774 -0.5862 -126.851 24.249 175.661 B 40 HIS C 104 HIS^? B 58 GLU C 165 GLU^? B 92 HIS C 42 HIS.? ULMNm 3 1b2m_c01 5'-R(*GP*(CH2)U)-3' user 1 3 RMSD = 1.28 A TRANSFORM 0.5342 -0.5399 -0.6505 -0.3831 -0.8405 0.3831 0.7536 -0.0445 0.6559 0.265 232.347 -129.001 B 40 HIS A 42 HIS.? B 58 GLU A 44 GLU.? B 92 HIS A 202 HIS.? ULMNm 3 1qrz_c23 PLASMINOGEN user 4 3 RMSD = 1.28 A TRANSFORM -0.0980 0.8730 -0.4777 0.9444 -0.0699 -0.3214 0.3140 0.4827 0.8176 -140.769 -157.933 -75.323 D 603 HIS B 176 HIS^? D 646 ASP B 172 ASP~? D 739 GLY B 144 GLY.? ULMNm 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 6 3 RMSD = 1.29 A TRANSFORM -0.8261 0.4843 0.2882 0.5182 0.8538 0.0504 0.2216 -0.1909 0.9563 97.303 -198.254 -2.370 A 198 GLY C 45 GLY.? A 228 SER C 90 SER.? A 549 ASP C 89 ASP.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 15 3 RMSD = 1.29 A TRANSFORM 0.4549 -0.6856 0.5684 -0.4047 0.4094 0.8177 0.7933 0.6020 0.0913 -21.979 -12.270 -203.553 141 ASP C 183 ASP~? 166 GLY C 93 GLY^? 169 GLU C 165 GLU^? ULMNm 3 1qrz_c20 PLASMINOGEN user 4 3 RMSD = 1.30 A TRANSFORM -0.2973 -0.1856 -0.9366 -0.9530 -0.0018 0.3029 0.0579 -0.9826 0.1764 62.330 162.661 145.955 A 603 HIS B 176 HIS^? A 646 ASP B 172 ASP~? A 739 GLY B 144 GLY.? ULMNm 3 1ef8_c00 METHYLMALONYL COA DECARBOXYLASE user 4 3 RMSD = 1.30 A TRANSFORM -0.6260 0.0690 0.7768 0.6976 0.4949 0.5182 0.3486 -0.8662 0.3579 111.732 -190.469 42.438 A 66 HIS B 42 HIS.? A 110 GLY B 45 GLY.? A 140 TYR B 84 TYR^? ULMNm 3 1mpy_c01 CATECHOL 2,3-DIOXYGENASE user 7 3 RMSD = 1.30 A TRANSFORM 0.1345 0.6700 -0.7300 -0.9312 -0.1663 -0.3242 0.3387 -0.7235 -0.6016 -10.064 214.335 54.165 B 199 HIS C 202 HIS.? B 246 HIS C 96 HIS^? B 255 TYR C 84 TYR^? ULMNm 3 1qrz_c20 PLASMINOGEN user 1 3 RMSD = 1.30 A TRANSFORM -0.2298 0.0175 0.9731 -0.9175 0.3295 -0.2226 0.3246 0.9440 0.0596 -1.696 125.645 -164.451 A 603 HIS A 104 HIS^? A 646 ASP B 52 ASP^? A 739 GLY A 128 GLY.? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 5 3 RMSD = 1.30 A TRANSFORM -0.4593 -0.7903 -0.4056 -0.6593 0.6093 -0.4406 -0.5953 -0.0650 0.8009 268.936 62.394 108.476 A 229 ALA A 198 ALA~? A 257 ALA A 201 ALA~? A 328 ASP A 183 ASP~? ULMNm 3 1qrz_c20 PLASMINOGEN user 3 3 RMSD = 1.30 A TRANSFORM 0.2228 -0.6443 -0.7316 -0.0722 -0.7593 0.6468 0.9722 0.0913 0.2156 47.329 114.171 -159.663 A 603 HIS A 104 HIS^? A 646 ASP B 52 ASP^? A 739 GLY A 170 GLY.? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 20 3 RMSD = 1.31 A TRANSFORM 0.2086 0.7821 0.5872 0.4522 0.4553 -0.7670 0.8672 -0.4255 0.2587 -125.071 -70.453 -159.780 D 465 GLY B 111 GLY^? D 501 ASP A 158 ASP.? E 367 TYR C 117 TYR.? ULMNm 3 2dbt_c01 CHITINASE C user 1 3 RMSD = 1.32 A TRANSFORM -0.6293 0.7421 0.2310 -0.3250 0.0187 -0.9455 0.7060 0.6701 -0.2294 45.207 160.239 -211.133 B 147 GLU A 14 GLU.? B 156 GLU A 196 GLU~? B 194 ASN A 10 ASN.? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 14 3 RMSD = 1.32 A TRANSFORM -0.1656 0.4166 -0.8939 0.1739 -0.8798 -0.4423 0.9707 0.2287 -0.0732 65.406 124.111 -178.708 A 229 ALA C 198 ALA~? A 257 ALA C 201 ALA~? A 328 ASP C 183 ASP~? ULMNm 3 1ef8_c00 METHYLMALONYL COA DECARBOXYLASE user 7 3 RMSD = 1.32 A TRANSFORM -0.9857 -0.1088 0.1284 -0.1217 0.9878 -0.0975 0.1163 0.1118 0.9869 183.518 -97.465 -72.839 A 66 HIS C 42 HIS.? A 110 GLY C 45 GLY.? A 140 TYR C 84 TYR^? ULMNm 3 2odj_o00 PORIN D user 12 3 RMSD = 1.32 A TRANSFORM -0.6927 -0.1813 -0.6981 0.6502 -0.5759 -0.4955 0.3123 0.7971 -0.5168 170.948 10.030 -98.073 A 156 HIS C 42 HIS.? A 208 ASP C 175 ASP.? A 296 SER C 137 SER.? ULMNm 3 1mpy_c03 CATECHOL 2,3-DIOXYGENASE user 7 3 RMSD = 1.32 A TRANSFORM 0.5359 0.6908 -0.4854 0.7567 -0.1379 0.6391 -0.3746 0.7097 0.5966 -94.006 -129.273 -55.078 D 199 HIS C 202 HIS.? D 246 HIS C 96 HIS^? D 255 TYR C 84 TYR^? ULMNm 3 2cpu_c01 ALPHA-AMYLASE user 1 3 RMSD = 1.32 A TRANSFORM -0.5639 -0.8255 -0.0228 -0.7077 0.4688 0.5285 0.4256 -0.3142 0.8486 233.640 79.142 8.932 A 197 ASP A 52 ASP^? A 233 GLU A 50 GLU^? A 300 ASN A 77 ASN^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 4 3 RMSD = 1.33 A TRANSFORM 0.0277 0.9441 0.3285 0.9814 -0.0881 0.1706 -0.1900 -0.3177 0.9290 -167.290 -164.795 68.383 141 ASP A 183 ASP~? 166 GLY A 93 GLY^? 169 GLU A 165 GLU^? ULMNm 3 1qrz_c23 PLASMINOGEN user 1 3 RMSD = 1.33 A TRANSFORM -0.3306 -0.9072 0.2601 0.9290 -0.2643 0.2588 0.1661 -0.3272 -0.9302 135.220 -143.979 83.807 D 603 HIS A 104 HIS^? D 646 ASP B 52 ASP^? D 739 GLY A 128 GLY.? ULMNm 3 2r11_o02 CARBOXYLESTERASE NP user 20 3 RMSD = 1.33 A TRANSFORM 0.9303 0.1883 0.3147 -0.2326 0.9664 0.1096 0.2835 0.1751 -0.9429 -205.374 -11.082 -18.660 C 130 SER B 124 SER^? C 166 PHE B 95 PHE^? C 182 PHE B 199 PHE.? ULMNm 3 1de3_c00 RIBONUCLEASE ALPHA-SARCIN user 7 3 RMSD = 1.33 A TRANSFORM -0.2647 -0.3902 -0.8819 -0.4784 0.8471 -0.2312 -0.8373 -0.3607 0.4109 128.536 -18.177 159.572 A 50 HIS C 42 HIS.? A 96 GLU C 44 GLU.? A 137 HIS C 202 HIS.? ULMNm 3 1de3_c00 RIBONUCLEASE ALPHA-SARCIN user 1 3 RMSD = 1.33 A TRANSFORM -0.8431 -0.3677 -0.3924 0.4983 -0.8084 -0.3134 0.2020 0.4598 -0.8648 224.763 35.807 -92.745 A 50 HIS A 42 HIS.? A 96 GLU A 44 GLU.? A 137 HIS A 202 HIS.? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 21 3 RMSD = 1.33 A TRANSFORM -0.1799 0.1150 0.9769 -0.4620 -0.8867 0.0193 -0.8685 0.4479 -0.2126 8.829 223.915 90.400 A 465 GLY B 111 GLY^? A 501 ASP A 158 ASP.? B 367 TYR C 117 TYR.? ULMNm 3 2r11_o00 CARBOXYLESTERASE NP user 20 3 RMSD = 1.34 A TRANSFORM -0.8933 -0.2509 0.3728 0.2291 -0.9680 -0.1027 -0.3867 0.0063 -0.9222 153.256 113.400 161.098 A 130 SER B 124 SER^? A 166 PHE B 95 PHE^? A 182 PHE B 199 PHE.? ULMNm 3 1pj5_c00 N,N-DIMETHYLGLYCINE OXIDASE user 4 3 RMSD = 1.34 A TRANSFORM -0.5711 -0.7773 0.2638 -0.0766 -0.2695 -0.9600 -0.8173 0.5684 -0.0943 215.215 155.998 100.658 A 225 HIS B 104 HIS^? A 259 TYR B 113 TYR^? A 552 ASP C 172 ASP~? ULMNm 3 1qrz_c23 PLASMINOGEN user 3 3 RMSD = 1.34 A TRANSFORM -0.8480 -0.2492 -0.4677 0.1433 0.7418 -0.6551 -0.5102 0.6226 0.5934 146.828 -130.294 36.668 D 603 HIS A 104 HIS^? D 646 ASP B 52 ASP^? D 739 GLY A 170 GLY.? ULMNm 3 2r11_o02 CARBOXYLESTERASE NP user 32 3 RMSD = 1.34 A TRANSFORM 0.2578 0.9568 0.1343 -0.4320 0.2385 -0.8698 0.8643 -0.1662 -0.4748 -177.822 144.934 -54.653 C 130 SER C 124 SER^? C 166 PHE C 95 PHE^? C 182 PHE C 199 PHE~? ULMNm 3 2cpu_c01 ALPHA-AMYLASE user 3 3 RMSD = 1.35 A TRANSFORM 0.4094 0.9069 -0.0997 0.2153 -0.2022 -0.9554 0.8866 -0.3697 0.2781 -183.909 26.982 -58.826 A 197 ASP B 52 ASP^? A 233 GLU B 50 GLU^? A 300 ASN B 77 ASN^? ULMNm 3 2r11_o00 CARBOXYLESTERASE NP user 32 3 RMSD = 1.35 A TRANSFORM -0.7596 -0.6187 0.2006 0.4251 -0.2387 0.8731 0.4923 -0.7485 -0.4443 156.580 -42.376 115.134 A 130 SER C 124 SER^? A 166 PHE C 95 PHE^? A 182 PHE C 199 PHE~? ULMNm 3 2r11_o02 CARBOXYLESTERASE NP user 7 3 RMSD = 1.35 A TRANSFORM 0.1739 -0.7477 0.6409 -0.4239 -0.6442 -0.6366 -0.8889 0.1609 0.4290 58.315 259.498 175.653 C 130 SER A 124 SER^? C 166 PHE A 95 PHE^? C 182 PHE A 199 PHE~? ULMNm 3 1ni4_c00 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 6 3 RMSD = 1.35 A TRANSFORM 0.6712 -0.7391 0.0575 0.3163 0.3557 0.8794 0.6704 0.5720 -0.4725 -2.377 -114.807 -71.776 B 59 GLU C 50 GLU^? B 128 HIS C 42 HIS.? C 263 HIS C 104 HIS^? ULMNm 3 1mpy_c00 CATECHOL 2,3-DIOXYGENASE user 6 3 RMSD = 1.35 A TRANSFORM -0.5556 -0.6488 0.5200 -0.8265 0.3623 -0.4309 -0.0912 0.6692 0.7375 232.827 131.837 -106.225 A 199 HIS C 202 HIS.? A 246 HIS C 96 HIS^? A 255 TYR C 84 TYR^? ULMNm 3 1ni4_c00 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 1 3 RMSD = 1.36 A TRANSFORM -0.4887 0.8400 0.2356 0.5921 0.1210 0.7967 -0.6407 -0.5289 0.5566 -26.902 -127.399 277.016 B 59 GLU A 50 GLU^? B 128 HIS A 42 HIS.? C 263 HIS A 104 HIS^? ULMNm 3 1ni4_c01 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 6 3 RMSD = 1.36 A TRANSFORM -0.5074 0.7630 -0.4006 -0.8594 -0.4819 0.1707 0.0628 -0.4309 -0.9002 5.752 175.125 146.876 A 263 HIS C 104 HIS^? D 59 GLU C 50 GLU^? D 128 HIS C 42 HIS.? ULMNm 3 1fdy_c03 N-ACETYLNEURAMINATE LYASE user 6 3 RMSD = 1.36 A TRANSFORM -0.1950 0.8581 -0.4750 -0.2841 0.4141 0.8648 -0.9388 -0.3035 -0.1631 -100.210 -114.015 215.579 D 137 TYR A 113 TYR^? D 142 LEU A 86 LEU^? D 165 LYS A 147 LYS^? ULMNm 3 2odj_o01 PORIN D user 1 3 RMSD = 1.36 A TRANSFORM 0.4433 0.8959 0.0282 0.8346 -0.4240 0.3516 -0.3270 0.1324 0.9357 -225.754 -106.924 105.309 B 156 HIS A 42 HIS.? B 208 ASP A 172 ASP~? B 296 SER B 164 SER^? ULMNm 3 1fdy_c01 N-ACETYLNEURAMINATE LYASE user 6 3 RMSD = 1.36 A TRANSFORM -0.9166 -0.0778 -0.3921 0.3791 -0.4806 -0.7907 0.1270 0.8735 -0.4700 192.552 -57.240 -177.677 B 137 TYR A 113 TYR^? B 142 LEU A 86 LEU^? B 165 LYS A 147 LYS^? ULMNm 3 2r11_o00 CARBOXYLESTERASE NP user 7 3 RMSD = 1.36 A TRANSFORM 0.4418 0.4606 -0.7699 0.4303 0.6442 0.6323 -0.7872 0.6106 -0.0864 -171.817 -159.043 136.603 A 130 SER A 124 SER^? A 166 PHE A 95 PHE^? A 182 PHE A 199 PHE~? ULMNm 3 1bfd_c00 BENZOYLFORMATE DECARBOXYLASE user 8 3 RMSD = 1.36 A TRANSFORM -0.4341 -0.7976 -0.4188 -0.4013 0.5875 -0.7027 -0.8065 0.1370 0.5751 280.518 42.770 276.498 28 GLU A 44 GLU.? 70 HIS A 176 HIS^? 281 HIS B 96 HIS^? ULMNm 3 1qrz_c22 PLASMINOGEN user 2 3 RMSD = 1.36 A TRANSFORM -0.1440 0.8823 -0.4482 0.9468 -0.0088 -0.3216 0.2877 0.4707 0.8341 -80.250 -166.348 -107.679 C 603 HIS B 176 HIS^? C 646 ASP B 172 ASP~? C 739 GLY B 144 GLY.? ULMNm 3 1pow_c02 PYRUVATE OXIDASE (E.C.1.2.3.3) (WILDuser 4 3 RMSD = 1.36 A TRANSFORM -0.0512 -0.5517 0.8325 0.0389 -0.8340 -0.5503 -0.9979 -0.0042 -0.0642 77.208 170.560 192.678 A 264 ARG B 108 ARG^? A 479 PHE B 157 PHE.? A 483 GLU B 156 GLU.? ULMNm 3 1de3_c00 RIBONUCLEASE ALPHA-SARCIN user 4 3 RMSD = 1.37 A TRANSFORM -0.5055 -0.7730 0.3833 -0.3793 -0.1999 -0.9034 -0.7749 0.6021 0.1922 211.807 115.936 50.535 A 50 HIS A 176 HIS^? A 96 GLU A 44 GLU.? A 137 HIS A 202 HIS.? ULMNm 3 1fdy_c02 N-ACETYLNEURAMINATE LYASE user 7 3 RMSD = 1.37 A TRANSFORM 0.3174 -0.9281 0.1949 -0.7136 -0.0984 0.6936 0.6245 0.3592 0.6935 56.162 59.609 -233.814 C 137 TYR A 113 TYR^? C 142 LEU A 86 LEU^? C 165 LYS A 147 LYS^? ULMNm 3 1hrk_c01 FERROCHELATASE user 1 3 RMSD = 1.37 A TRANSFORM -0.0946 0.8459 0.5249 0.9086 -0.1421 0.3928 -0.4068 -0.5141 0.7551 -110.100 -168.345 140.281 B 263 HIS A 42 HIS.? B 341 HIS A 96 HIS^? B 343 GLU A 44 GLU.? ULMNm 3 1mpy_c02 CATECHOL 2,3-DIOXYGENASE user 6 3 RMSD = 1.37 A TRANSFORM -0.1696 -0.7482 0.6414 0.9792 -0.0544 0.1954 0.1113 -0.6612 -0.7419 171.403 -161.504 93.900 C 199 HIS C 202 HIS.? C 246 HIS C 96 HIS^? C 255 TYR C 84 TYR^? ULMNm 3 1hrk_c00 FERROCHELATASE user 1 3 RMSD = 1.37 A TRANSFORM 0.0744 -0.8462 -0.5276 -0.9047 0.1652 -0.3926 -0.4194 -0.5066 0.7533 115.515 163.996 141.618 A 263 HIS A 42 HIS.? A 341 HIS A 96 HIS^? A 343 GLU A 44 GLU.? ULMNm 3 1ni4_c01 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 1 3 RMSD = 1.37 A TRANSFORM 0.1276 -0.9593 -0.2519 0.5269 0.2808 -0.8022 -0.8403 0.0304 -0.5412 131.090 -141.275 228.066 A 263 HIS A 104 HIS^? D 59 GLU A 50 GLU^? D 128 HIS A 42 HIS.? ULMNm 3 2amg_c02 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 2 3 RMSD = 1.39 A TRANSFORM 0.4735 0.6872 -0.5509 0.8105 -0.5848 -0.0328 0.3448 0.4310 0.8339 -118.143 28.502 -127.910 193 ASP C 119 ASP.? 219 GLU B 25 GLU.? 294 ASP B 89 ASP.? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 10 3 RMSD = 1.40 A TRANSFORM -0.2706 0.7665 -0.5824 0.7339 -0.2273 -0.6401 0.6231 0.6007 0.5010 -10.506 -73.691 -52.513 C 70 ALA C 201 ALA~? C 126 LEU C 185 LEU~? C 158 GLU C 182 GLU~? ULMNm 3 1b2m_c00 5'-R(*GP*(CH2)U)-3' user 1 3 RMSD = 1.40 A TRANSFORM -0.1719 -0.9706 0.1687 0.1400 -0.1936 -0.9710 -0.9751 0.1433 -0.1692 191.354 43.810 167.544 A 40 HIS A 42 HIS.? A 58 GLU A 44 GLU.? A 92 HIS A 202 HIS.? ULMNm 3 2r11_o03 CARBOXYLESTERASE NP user 34 3 RMSD = 1.40 A TRANSFORM -0.0178 -0.9386 0.3446 -0.5202 -0.2856 -0.8049 -0.8539 0.1935 0.4832 78.768 217.389 146.779 D 130 SER C 124 SER^? D 166 PHE C 95 PHE^? D 182 PHE C 199 PHE~? ULMNm 3 1cqt_d00 GENE REGULATION/DNA user 11 3 RMSD = 1.40 A TRANSFORM -0.5431 0.2553 -0.7999 0.2504 0.9586 0.1359 -0.8014 0.1265 0.5845 92.815 -132.989 141.145 I 303 TYR B 117 TYR.? I 306 VAL B 116 VAL^? I 308 VAL B 114 VAL^? ULMNm 3 1cqt_d00 GENE REGULATION/DNA user 18 3 RMSD = 1.40 A TRANSFORM 0.2457 -0.7321 -0.6353 -0.1645 0.6144 -0.7717 -0.9553 -0.2941 -0.0305 96.644 14.922 211.160 I 303 TYR C 117 TYR.? I 306 VAL C 116 VAL^? I 308 VAL C 114 VAL^? ULMNm 3 2odj_o00 PORIN D user 1 3 RMSD = 1.40 A TRANSFORM 0.2046 -0.0392 -0.9781 -0.8896 0.4093 -0.2025 -0.4083 -0.9115 -0.0489 -7.059 127.532 244.119 A 156 HIS A 42 HIS.? A 208 ASP A 172 ASP~? A 296 SER B 164 SER^? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 11 3 RMSD = 1.40 A TRANSFORM 0.7818 -0.5690 -0.2551 -0.0875 -0.5051 0.8586 0.6174 0.6489 0.4447 -88.048 37.109 -53.383 B 70 ALA C 201 ALA~? B 126 LEU C 185 LEU~? B 158 GLU C 182 GLU~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 9 3 RMSD = 1.41 A TRANSFORM -0.0240 0.9958 0.0880 -0.6641 0.0499 -0.7459 0.7472 0.0763 -0.6602 -66.524 145.325 -131.733 A 229 ALA B 198 ALA.? A 257 ALA B 201 ALA.? A 328 ASP B 183 ASP~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 10 3 RMSD = 1.41 A TRANSFORM -0.4406 -0.1302 0.8882 -0.5815 0.7952 -0.1719 0.6839 0.5922 0.4261 42.156 46.977 -59.236 A 70 ALA C 201 ALA~? A 126 LEU C 185 LEU~? A 158 GLU C 182 GLU~? ULMNm 3 1ef8_c00 METHYLMALONYL COA DECARBOXYLASE user 2 3 RMSD = 1.41 A TRANSFORM 0.6214 -0.0908 -0.7782 0.2059 -0.9394 0.2741 0.7559 0.3306 0.5651 -69.486 102.372 -201.706 A 66 HIS A 42 HIS.? A 110 GLY A 45 GLY.? A 140 TYR A 84 TYR^? ULMNm 3 2r11_o03 CARBOXYLESTERASE NP user 21 3 RMSD = 1.41 A TRANSFORM -0.6847 -0.6624 -0.3040 -0.6835 0.7284 -0.0475 -0.2529 -0.1752 0.9515 182.139 96.892 110.628 D 130 SER B 124 SER^? D 166 PHE B 95 PHE^? D 182 PHE B 199 PHE.? ULMNm 3 1cqt_d00 GENE REGULATION/DNA user 4 3 RMSD = 1.41 A TRANSFORM -0.8063 0.4464 -0.3881 -0.3927 -0.8946 -0.2130 0.4423 0.0193 -0.8967 107.528 247.551 -47.698 I 303 TYR A 117 TYR.? I 306 VAL A 116 VAL^? I 308 VAL A 114 VAL^? ULMNm 3 2cpu_c01 ALPHA-AMYLASE user 6 3 RMSD = 1.42 A TRANSFORM 0.1058 0.6399 -0.7611 0.9291 -0.3363 -0.1536 0.3543 0.6909 0.6301 -63.523 -71.268 -112.334 A 197 ASP C 52 ASP^? A 233 GLU C 50 GLU^? A 300 ASN C 77 ASN^? ULMNm 3 1fdy_c00 N-ACETYLNEURAMINATE LYASE user 7 3 RMSD = 1.42 A TRANSFORM 0.7518 0.1284 0.6468 0.6212 0.1909 -0.7600 0.2210 -0.9732 -0.0637 -212.382 -213.361 81.393 A 137 TYR A 113 TYR^? A 142 LEU A 86 LEU^? A 165 LYS A 147 LYS^? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 13 3 RMSD = 1.42 A TRANSFORM 0.9836 0.1505 0.0991 0.1549 -0.9872 -0.0385 -0.0920 -0.0532 0.9943 -150.723 118.121 -22.961 A 229 ALA C 198 ALA~? A 257 ALA C 194 ALA~? A 328 ASP C 183 ASP~? ULMNm 3 1bfd_c00 BENZOYLFORMATE DECARBOXYLASE user 17 3 RMSD = 1.42 A TRANSFORM 0.1940 0.9804 -0.0332 -0.9190 0.1698 -0.3560 0.3434 -0.0995 -0.9339 -86.395 191.357 119.409 28 GLU B 44 GLU.? 70 HIS B 176 HIS^? 281 HIS A 42 HIS.? ULMNm 3 1hto_c00 GLUTAMINE SYNTHETASE user 6 3 RMSD = 1.42 A TRANSFORM -0.9488 -0.2062 -0.2394 0.0316 -0.8159 0.5773 0.3144 -0.5402 -0.7806 270.076 126.380 181.950 A 50 ASP C 89 ASP.? A 327 GLU B 44 GLU.? A 339 ARG B 43 ARG.? ULMNm 3 1bol_c00 RIBONUCLEASE RH user 11 3 RMSD = 1.42 A TRANSFORM -0.8392 0.5194 0.1609 0.0902 -0.1587 0.9832 -0.5362 -0.8396 -0.0863 105.664 -7.329 187.696 A 46 HIS C 96 HIS^? A 105 GLU C 44 GLU.? A 109 HIS C 202 HIS.? ULMNm 3 2r11_o01 CARBOXYLESTERASE NP user 36 3 RMSD = 1.42 A TRANSFORM 0.4981 0.1558 -0.8530 0.0622 -0.9876 -0.1441 0.8649 -0.0188 0.5016 -89.116 171.301 -71.226 B 130 SER C 124 SER^? B 166 PHE C 150 PHE^? B 182 PHE C 199 PHE~? ULMNm 3 1pow_c03 PYRUVATE OXIDASE (E.C.1.2.3.3) (WILDuser 4 3 RMSD = 1.43 A TRANSFORM 0.0403 0.5288 -0.8478 0.7216 0.5715 0.3908 -0.6912 0.6275 0.3586 -81.074 -129.230 57.474 B 264 ARG B 108 ARG^? B 479 PHE B 157 PHE.? B 483 GLU B 156 GLU.? ULMNm 3 1mpy_c01 CATECHOL 2,3-DIOXYGENASE user 6 3 RMSD = 1.43 A TRANSFORM -0.4887 0.5194 -0.7010 -0.4804 0.5106 0.7131 -0.7283 -0.6852 0.0000 105.279 12.058 190.296 B 199 HIS C 202 HIS.? B 246 HIS C 42 HIS.? B 255 TYR C 84 TYR^? ULMNm 3 2r11_o03 CARBOXYLESTERASE NP user 7 3 RMSD = 1.43 A TRANSFORM 0.0902 0.9680 -0.2340 -0.4327 -0.1735 -0.8847 0.8970 -0.1811 -0.4032 -187.591 189.389 -77.063 D 130 SER A 124 SER^? D 166 PHE A 95 PHE^? D 182 PHE A 199 PHE~? ULMNm 3 2odj_o01 PORIN D user 5 3 RMSD = 1.44 A TRANSFORM -0.4316 -0.9018 -0.0203 0.4989 -0.2574 0.8275 0.7515 -0.3470 -0.5610 184.652 -76.116 -1.899 B 156 HIS B 42 HIS.? B 208 ASP B 172 ASP~? B 296 SER A 164 SER^? ULMNm 3 1mpy_c03 CATECHOL 2,3-DIOXYGENASE user 6 3 RMSD = 1.44 A TRANSFORM -0.1992 0.2463 -0.9485 0.6672 -0.6749 -0.3153 0.7178 0.6956 0.0299 97.859 -4.991 -199.784 D 199 HIS C 202 HIS.? D 246 HIS C 42 HIS.? D 255 TYR C 84 TYR^? ULMNm 3 2r11_o01 CARBOXYLESTERASE NP user 34 3 RMSD = 1.44 A TRANSFORM 0.5660 0.5919 -0.5738 0.5194 0.2845 0.8058 -0.6402 0.7541 0.1464 -170.024 -115.575 102.747 B 130 SER C 124 SER^? B 166 PHE C 95 PHE^? B 182 PHE C 199 PHE~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 3 3 RMSD = 1.44 A TRANSFORM 0.3179 0.1322 0.9389 0.4167 -0.9090 -0.0131 -0.8517 -0.3954 0.3440 -98.509 48.508 221.400 141 ASP A 158 ASP.? 166 GLY B 134 GLY~? 169 GLU B 7 GLU.? ULMNm 3 1ula_c00 PURINE NUCLEOSIDE PHOSPHORYLASE (E.Cuser 2 3 RMSD = 1.44 A TRANSFORM -0.8482 0.2738 -0.4534 0.1530 0.9462 0.2852 -0.5071 -0.1725 0.8444 129.725 -156.377 117.882 86 HIS A 104 HIS^? 89 GLU A 165 GLU^? 243 ASN A 10 ASN.? ULMNm 3 1hkd_p00 PEA LECTIN ALPHA CHAIN user 3 3 RMSD = 1.45 A TRANSFORM 0.5465 -0.8372 0.0203 -0.0231 -0.0393 -0.9990 -0.8371 -0.5455 0.0408 20.640 103.728 190.072 A 81 ASP C 158 ASP~? A 99 GLY C 160 GLY.? A 125 ASN C 154 ASN~? ULMNm 3 1mpy_c01 CATECHOL 2,3-DIOXYGENASE user 3 3 RMSD = 1.46 A TRANSFORM 0.2925 0.0792 0.9530 0.5339 -0.8403 -0.0941 -0.7933 -0.5363 0.2881 -13.914 44.655 194.031 B 199 HIS B 176 HIS^? B 246 HIS B 42 HIS.? B 255 TYR B 84 TYR^? ULMNm 3 2r11_o01 CARBOXYLESTERASE NP user 9 3 RMSD = 1.46 A TRANSFORM -0.9277 -0.3600 0.0986 -0.3687 0.8428 -0.3922 -0.0581 0.4002 0.9146 200.569 -1.104 17.378 B 130 SER A 124 SER^? B 166 PHE A 150 PHE^? B 182 PHE A 199 PHE~? ULMNm 3 1mpy_c00 CATECHOL 2,3-DIOXYGENASE user 2 3 RMSD = 1.46 A TRANSFORM 0.0070 -0.4334 -0.9012 0.8093 -0.5268 0.2596 0.5873 0.7312 -0.3471 154.209 -53.619 -194.874 A 199 HIS B 176 HIS^? A 246 HIS B 42 HIS.? A 255 TYR B 84 TYR^? ULMNm 3 2r11_o01 CARBOXYLESTERASE NP user 21 3 RMSD = 1.47 A TRANSFORM 0.6873 0.6176 -0.3825 0.6823 -0.7294 0.0482 0.2492 0.2941 0.9227 -225.393 5.030 8.426 B 130 SER B 124 SER^? B 166 PHE B 95 PHE^? B 182 PHE B 199 PHE.? ULMNm 3 2odj_o01 PORIN D user 11 3 RMSD = 1.47 A TRANSFORM -0.3637 -0.7781 0.5121 -0.5290 0.6250 0.5740 0.7668 0.0621 0.6389 126.222 -28.183 -76.435 B 156 HIS C 42 HIS.? B 208 ASP C 175 ASP.? B 296 SER C 137 SER.? ULMNm 3 2r11_o01 CARBOXYLESTERASE NP user 23 3 RMSD = 1.47 A TRANSFORM 0.2720 0.7114 -0.6480 -0.7308 -0.2854 -0.6201 0.6260 -0.6423 -0.4422 -155.894 225.125 58.815 B 130 SER B 124 SER^? B 166 PHE B 150 PHE^? B 182 PHE B 199 PHE.? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 4 3 RMSD = 1.47 A TRANSFORM -0.4341 0.1260 0.8920 -0.3586 0.8842 -0.2994 0.8264 0.4499 0.3386 73.843 -44.539 -232.657 A 229 ALA A 198 ALA~? A 257 ALA A 194 ALA~? A 328 ASP A 183 ASP~? ULMNm 3 1qho_c04 ALPHA-AMYLASE user 2 3 RMSD = 1.47 A TRANSFORM 0.1521 0.2673 -0.9515 -0.9308 -0.2851 -0.2289 0.3325 -0.9205 -0.2055 3.946 277.913 83.878 A 228 ASP C 119 ASP.? A 256 GLU B 25 GLU.? A 329 ASP B 89 ASP.? ULMNm 3 1bfd_c00 BENZOYLFORMATE DECARBOXYLASE user 1 3 RMSD = 1.47 A TRANSFORM -0.2175 -0.9537 -0.2077 0.7189 -0.0127 -0.6950 -0.6602 0.3005 -0.6884 260.059 -74.335 245.310 28 GLU A 44 GLU.? 70 HIS A 42 HIS.? 281 HIS B 42 HIS.? ULMNm 3 1de3_c00 RIBONUCLEASE ALPHA-SARCIN user 10 3 RMSD = 1.48 A TRANSFORM 0.1837 0.8905 -0.4163 -0.4053 -0.3172 -0.8574 0.8955 -0.3263 -0.3026 -115.975 137.297 -85.798 A 50 HIS C 176 HIS^? A 96 GLU C 44 GLU.? A 137 HIS C 202 HIS.? ULMNm 3 1mpy_c03 CATECHOL 2,3-DIOXYGENASE user 3 3 RMSD = 1.48 A TRANSFORM 0.0345 0.4613 0.8866 -0.5942 0.7227 -0.3529 0.8036 0.5146 -0.2991 -22.350 21.128 -201.469 D 199 HIS B 176 HIS^? D 246 HIS B 42 HIS.? D 255 TYR B 84 TYR^? ULMNm 3 3hde_o01 LYSOZYME user 3 3 RMSD = 1.48 A TRANSFORM -0.9323 0.2214 -0.2861 0.3602 0.6406 -0.6782 -0.0331 0.7353 0.6769 143.023 -166.380 -124.673 B 35 GLU B 7 GLU.? B 44 ASP A 52 ASP^? B 50 THR A 51 THR^? ULMNm 3 2r11_o03 CARBOXYLESTERASE NP user 36 3 RMSD = 1.48 A TRANSFORM -0.9382 -0.1035 0.3301 -0.0560 0.9871 0.1501 0.3414 -0.1224 0.9319 128.913 -70.983 -37.591 D 130 SER C 124 SER^? D 166 PHE C 150 PHE^? D 182 PHE C 199 PHE~? ULMNm 3 2r11_o01 CARBOXYLESTERASE NP user 7 3 RMSD = 1.48 A TRANSFORM -0.6476 -0.6218 0.4405 0.4341 0.1741 0.8839 0.6263 -0.7636 -0.1572 177.950 -88.133 104.026 B 130 SER A 124 SER^? B 166 PHE A 95 PHE^? B 182 PHE A 199 PHE~? ULMNm 3 1hrk_c01 FERROCHELATASE user 11 3 RMSD = 1.48 A TRANSFORM 0.8752 -0.4326 -0.2165 -0.4464 -0.5500 -0.7059 -0.1863 -0.7144 0.6745 -63.537 155.032 80.398 B 263 HIS C 42 HIS.? B 341 HIS C 202 HIS.? B 343 GLU C 44 GLU.? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 12 3 RMSD = 1.49 A TRANSFORM -0.4496 0.6818 -0.5771 -0.3843 -0.7309 -0.5640 0.8064 0.0318 -0.5906 68.192 209.115 -102.818 A 229 ALA C 195 ALA~? A 257 ALA C 198 ALA~? A 328 ASP C 183 ASP~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 8 3 RMSD = 1.49 A TRANSFORM -0.9414 -0.2497 -0.2266 0.2307 0.0132 -0.9729 -0.2459 0.9682 -0.0452 208.845 0.192 74.282 C 70 ALA C 198 ALA~? C 126 LEU C 197 LEU~? C 158 GLU C 196 GLU~? ULMNm 3 2odj_o00 PORIN D user 6 3 RMSD = 1.50 A TRANSFORM -0.8318 0.3574 0.4247 -0.3618 0.2311 -0.9032 0.4210 0.9049 0.0629 105.415 66.716 -161.517 A 156 HIS B 42 HIS.? A 208 ASP B 172 ASP~? A 296 SER A 164 SER^? ULMNm 3 1uag_c01 UDP-N-ACETYLMURAMOYL-L-ALANINE-:D-GLuser 2 3 RMSD = 1.50 A TRANSFORM -0.1469 -0.6235 -0.7679 -0.5136 0.7115 -0.4795 -0.8454 -0.3239 0.4248 177.138 -14.306 218.613 115 LYS A 147 LYS^? 138 ASN A 98 ASN^? 183 HIS A 42 HIS.? ULMNm 3 1vq1_c01 N5-GLUTAMINE METHYLTRANSFERASE, HEMKuser 1 3 RMSD = 1.50 A TRANSFORM -0.5212 -0.5793 -0.6267 0.3285 0.5415 -0.7738 -0.7877 0.6092 0.0919 227.339 -138.721 62.980 B 100 PHE A 18 PHE~? B 197 ASN A 159 ASN.? B 198 PRO A 27 PRO~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 8 3 RMSD = 1.50 A TRANSFORM 0.2542 0.1930 0.9477 -0.9362 -0.1969 0.2913 -0.2428 0.9612 -0.1307 -119.166 203.756 77.800 A 70 ALA C 198 ALA~? A 126 LEU C 197 LEU~? A 158 GLU C 196 GLU~? ULMNm 3 3hde_o02 LYSOZYME user 3 3 RMSD = 1.50 A TRANSFORM -0.3216 0.3148 0.8930 -0.5962 0.6654 -0.4493 0.7356 0.6769 0.0263 34.232 27.346 -235.430 C 35 GLU B 7 GLU.? C 44 ASP A 52 ASP^? C 50 THR A 51 THR^?