*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 4 1pix_c00 GLUTACONYL-COA DECARBOXYLASE A SUBUNuser 15 4 RMSD = 0.77 A TRANSFORM 0.4075 0.9047 0.1247 -0.3352 0.2752 -0.9011 -0.8495 0.3254 0.4154 10.610 134.383 31.420 A 151 VAL C 61 VAL~? A 194 GLY C 56 GLY.? A 417 ILE A 89 ILE~? A 457 ALA A 151 ALA^? ULMNm 4 1pix_c01 GLUTACONYL-COA DECARBOXYLASE A SUBUNuser 3 4 RMSD = 0.84 A TRANSFORM 0.0428 -0.8930 -0.4480 0.7322 -0.2770 0.6222 -0.6798 -0.3546 0.6420 89.076 73.141 38.297 B 151 VAL C 61 VAL~? B 194 GLY C 56 GLY.? B 417 ILE A 89 ILE~? B 457 ALA A 151 ALA^? ULMNm 4 1pix_c00 GLUTACONYL-COA DECARBOXYLASE A SUBUNuser 5 4 RMSD = 0.86 A TRANSFORM 0.5784 -0.8032 0.1422 0.4216 0.1452 -0.8951 0.6983 0.5777 0.4227 53.581 111.455 -30.808 A 151 VAL A 61 VAL~? A 194 GLY A 56 GLY.? A 417 ILE B 89 ILE~? A 457 ALA B 151 ALA^? ULMNm 4 1pix_c00 GLUTACONYL-COA DECARBOXYLASE A SUBUNuser 11 4 RMSD = 0.87 A TRANSFORM -0.9868 -0.0998 0.1277 -0.0720 -0.4360 -0.8971 0.1452 -0.8944 0.4230 88.567 145.570 31.268 A 151 VAL B 61 VAL~? A 194 GLY B 56 GLY.? A 417 ILE C 89 ILE~? A 457 ALA C 151 ALA^? ULMNm 4 1pix_c01 GLUTACONYL-COA DECARBOXYLASE A SUBUNuser 1 4 RMSD = 0.93 A TRANSFORM -0.7873 0.4044 -0.4655 -0.6163 -0.4908 0.6159 0.0207 0.7717 0.6356 81.333 126.982 -19.030 B 151 VAL A 61 VAL~? B 194 GLY A 56 GLY.? B 417 ILE B 89 ILE~? B 457 ALA B 151 ALA^? ULMNm 4 1pix_c01 GLUTACONYL-COA DECARBOXYLASE A SUBUNuser 2 4 RMSD = 0.94 A TRANSFORM 0.7505 0.4806 -0.4537 -0.1259 0.7779 0.6157 0.6488 -0.4049 0.6443 24.777 73.107 -7.178 B 151 VAL B 61 VAL~? B 194 GLY B 56 GLY.? B 417 ILE C 89 ILE~? B 457 ALA C 151 ALA^? ULMNm 4 1k32_c05 TRICORN PROTEASE user 3 4 RMSD = 1.31 A TRANSFORM -0.1913 -0.4574 -0.8684 -0.9219 -0.2199 0.3189 -0.3368 0.8616 -0.3796 6.683 59.553 80.348 F 746 HIS A 129 HIS.? F 918 GLY C 24 GLY.? F 965 SER A 116 SER~? F 966 ASP A 113 ASP~? ULMNm 4 1k32_c04 TRICORN PROTEASE user 3 4 RMSD = 1.32 A TRANSFORM 0.3014 0.4396 0.8461 -0.7296 0.6776 -0.0921 -0.6138 -0.5896 0.5250 -63.161 68.833 56.300 E 746 HIS A 129 HIS.? E 918 GLY C 24 GLY.? E 965 SER A 116 SER~? E 966 ASP A 113 ASP~? ULMNm 4 1k32_c03 TRICORN PROTEASE user 3 4 RMSD = 1.32 A TRANSFORM -0.3031 -0.4371 -0.8468 0.7320 -0.6757 0.0868 -0.6102 -0.5936 0.5248 15.139 -68.908 56.409 D 746 HIS A 129 HIS.? D 918 GLY C 24 GLY.? D 965 SER A 116 SER~? D 966 ASP A 113 ASP~? ULMNm 4 1k32_c02 TRICORN PROTEASE user 3 4 RMSD = 1.33 A TRANSFORM 0.2002 0.4586 0.8658 0.9216 0.2117 -0.3253 -0.3325 0.8630 -0.3803 -55.116 -59.204 80.250 C 746 HIS A 129 HIS.? C 918 GLY C 24 GLY.? C 965 SER A 116 SER~? C 966 ASP A 113 ASP~? ULMNm 4 1k32_c01 TRICORN PROTEASE user 3 4 RMSD = 1.33 A TRANSFORM -0.2712 -0.5212 -0.8092 0.1503 0.8075 -0.5704 0.9507 -0.2763 -0.1406 10.128 15.645 -42.578 B 746 HIS A 129 HIS.? B 918 GLY C 24 GLY.? B 965 SER A 116 SER~? B 966 ASP A 113 ASP~? ULMNm 4 1k32_c00 TRICORN PROTEASE user 3 4 RMSD = 1.34 A TRANSFORM 0.2668 0.5228 0.8096 -0.1460 -0.8085 0.5702 0.9526 -0.2703 -0.1394 -57.937 -15.932 -42.698 A 746 HIS A 129 HIS.? A 918 GLY C 24 GLY.? A 965 SER A 116 SER~? A 966 ASP A 113 ASP~? ULMNm 4 1k32_c05 TRICORN PROTEASE user 7 4 RMSD = 1.34 A TRANSFORM 0.4731 0.0595 -0.8790 0.6680 -0.6747 0.3139 -0.5744 -0.7357 -0.3590 -31.267 16.422 134.331 F 746 HIS C 129 HIS.? F 918 GLY B 24 GLY.? F 965 SER C 116 SER~? F 966 ASP C 113 ASP~? ULMNm 4 1k32_c05 TRICORN PROTEASE user 4 4 RMSD = 1.34 A TRANSFORM -0.2632 0.4023 -0.8769 0.2579 0.9052 0.3378 0.9296 -0.1372 -0.3420 -15.470 -14.837 63.748 F 746 HIS B 129 HIS.? F 918 GLY A 24 GLY.? F 965 SER B 116 SER~? F 966 ASP B 113 ASP~? ULMNm 4 1k32_c04 TRICORN PROTEASE user 7 4 RMSD = 1.35 A TRANSFORM -0.5148 0.0439 0.8562 -0.2094 -0.9749 -0.0760 0.8314 -0.2184 0.5110 -23.309 97.630 -5.317 E 746 HIS C 129 HIS.? E 918 GLY B 24 GLY.? E 965 SER C 116 SER~? E 966 ASP C 113 ASP~? ULMNm 4 1k32_c04 TRICORN PROTEASE user 4 4 RMSD = 1.35 A TRANSFORM 0.1935 -0.4888 0.8507 0.9551 0.2921 -0.0495 -0.2243 0.8221 0.5234 -32.608 19.725 1.927 E 746 HIS B 129 HIS.? E 918 GLY A 24 GLY.? E 965 SER B 116 SER~? E 966 ASP B 113 ASP~? ULMNm 4 1k32_c03 TRICORN PROTEASE user 7 4 RMSD = 1.35 A TRANSFORM 0.5134 -0.0464 -0.8569 0.2059 0.9760 0.0705 0.8331 -0.2127 0.5106 -24.575 -97.467 -5.419 D 746 HIS C 129 HIS.? D 918 GLY B 24 GLY.? D 965 SER C 116 SER~? D 966 ASP C 113 ASP~? ULMNm 4 1k32_c03 TRICORN PROTEASE user 4 4 RMSD = 1.35 A TRANSFORM -0.1906 0.4888 -0.8513 -0.9544 -0.2954 0.0441 -0.2299 0.8209 0.5228 -15.499 -19.587 2.286 D 746 HIS B 129 HIS.? D 918 GLY A 24 GLY.? D 965 SER B 116 SER~? D 966 ASP B 113 ASP~? ULMNm 4 1k32_c02 TRICORN PROTEASE user 7 4 RMSD = 1.36 A TRANSFORM -0.4789 -0.0523 0.8763 -0.6609 0.6786 -0.3206 -0.5779 -0.7327 -0.3595 -16.815 -16.678 134.463 C 746 HIS C 129 HIS.? C 918 GLY B 24 GLY.? C 965 SER C 116 SER~? C 966 ASP C 113 ASP~? ULMNm 4 1k32_c02 TRICORN PROTEASE user 4 4 RMSD = 1.36 A TRANSFORM 0.2598 -0.4108 0.8740 -0.2648 -0.9006 -0.3446 0.9287 -0.1419 -0.3427 -32.240 15.052 64.014 C 746 HIS B 129 HIS.? C 918 GLY A 24 GLY.? C 965 SER B 116 SER~? C 966 ASP B 113 ASP~? ULMNm 4 1k32_c01 TRICORN PROTEASE user 4 4 RMSD = 1.36 A TRANSFORM -0.2808 0.5027 -0.8176 0.6472 -0.5299 -0.5481 -0.7088 -0.6830 -0.1765 -18.951 36.228 28.349 B 746 HIS B 129 HIS.? B 918 GLY A 24 GLY.? B 965 SER B 116 SER~? B 966 ASP B 113 ASP~? ULMNm 4 1k32_c01 TRICORN PROTEASE user 7 4 RMSD = 1.36 A TRANSFORM 0.5698 0.0245 -0.8214 -0.7816 -0.2924 -0.5510 -0.2537 0.9560 -0.1475 -34.874 79.958 -35.225 B 746 HIS C 129 HIS.? B 918 GLY B 24 GLY.? B 965 SER C 116 SER~? B 966 ASP C 113 ASP~? ULMNm 4 1k32_c00 TRICORN PROTEASE user 4 4 RMSD = 1.37 A TRANSFORM 0.2844 -0.4997 0.8182 -0.6502 0.5266 0.5476 -0.7045 -0.6877 -0.1751 -29.183 -36.184 28.454 A 746 HIS B 129 HIS.? A 918 GLY A 24 GLY.? A 965 SER B 116 SER~? A 966 ASP B 113 ASP~? ULMNm 4 1k32_c00 TRICORN PROTEASE user 7 4 RMSD = 1.37 A TRANSFORM -0.5689 -0.0294 0.8219 0.7802 0.2967 0.5507 -0.2600 0.9545 -0.1458 -12.936 -80.191 -34.845 A 746 HIS C 129 HIS.? A 918 GLY B 24 GLY.? A 965 SER C 116 SER~? A 966 ASP C 113 ASP~? ULMNm 4 1pix_c00 GLUTACONYL-COA DECARBOXYLASE A SUBUNuser 4 4 RMSD = 1.47 A TRANSFORM -0.3471 -0.8001 -0.4892 0.7978 0.0223 -0.6026 0.4930 -0.5994 0.6306 81.148 94.911 6.916 A 151 VAL A 10 VAL~? A 194 GLY A 13 GLY.? A 417 ILE C 92 ILE^? A 457 ALA C 151 ALA^? ULMNm 4 1pix_c00 GLUTACONYL-COA DECARBOXYLASE A SUBUNuser 8 4 RMSD = 1.47 A TRANSFORM -0.4845 0.7010 -0.5233 -0.3598 -0.7049 -0.6112 -0.7973 -0.1079 0.5938 43.393 156.914 38.390 A 151 VAL B 10 VAL~? A 194 GLY B 13 GLY.? A 417 ILE A 92 ILE^? A 457 ALA A 151 ALA^? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 3 3 RMSD = 0.56 A TRANSFORM 0.3858 0.3383 0.8583 0.5299 -0.8429 0.0940 0.7552 0.4185 -0.5044 59.825 63.818 94.484 D 141 GLY C 84 GLY~? D 144 GLU C 85 GLU~? D 164 GLU C 6 GLU~? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 3 3 RMSD = 0.59 A TRANSFORM -0.2315 -0.2579 -0.9380 -0.5591 0.8243 -0.0886 0.7961 0.5040 -0.3351 74.756 122.984 93.791 C 141 GLY C 84 GLY~? C 144 GLU C 85 GLU~? C 164 GLU C 6 GLU~? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 3 3 RMSD = 0.60 A TRANSFORM 0.2055 0.6162 -0.7603 0.5506 -0.7150 -0.4307 -0.8091 -0.3301 -0.4863 44.324 54.034 199.929 F 141 GLY C 84 GLY~? F 144 GLU C 85 GLU~? F 164 GLU C 6 GLU~? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 3 3 RMSD = 0.63 A TRANSFORM -0.9877 -0.1395 0.0708 0.1237 -0.9736 -0.1919 0.0957 -0.1807 0.9789 138.761 86.559 163.064 E 141 GLY C 84 GLY~? E 144 GLU C 85 GLU~? E 164 GLU C 6 GLU~? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 3 3 RMSD = 0.67 A TRANSFORM -0.3359 -0.6524 0.6794 -0.5509 0.7211 0.4201 -0.7640 -0.2331 -0.6016 108.709 131.055 194.559 B 141 GLY C 84 GLY~? B 144 GLU C 85 GLU~? B 164 GLU C 6 GLU~? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 0.67 A TRANSFORM -0.4587 0.1553 0.8749 0.4022 0.9142 0.0487 -0.7923 0.3742 -0.4818 94.870 17.324 151.790 D 141 GLY B 84 GLY~? D 144 GLU B 85 GLU~? D 164 GLU B 6 GLU~? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 0.70 A TRANSFORM 0.3014 -0.0750 -0.9506 -0.3700 -0.9280 -0.0441 -0.8788 0.3650 -0.3074 50.981 167.122 158.304 C 141 GLY B 84 GLY~? C 144 GLU B 85 GLU~? C 164 GLU B 6 GLU~? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 0.71 A TRANSFORM -0.6585 -0.1990 -0.7258 0.2611 0.8441 -0.4683 0.7059 -0.4979 -0.5039 99.623 19.495 150.683 F 141 GLY B 84 GLY~? F 144 GLU B 85 GLU~? F 164 GLU B 6 GLU~? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 0.74 A TRANSFORM 0.6749 -0.7352 0.0626 0.7245 0.6442 -0.2454 0.1401 0.2109 0.9674 96.196 18.127 149.347 E 141 GLY B 84 GLY~? E 144 GLU B 85 GLU~? E 164 GLU B 6 GLU~? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 0.75 A TRANSFORM 0.7578 0.1084 0.6435 -0.2670 -0.8483 0.4573 0.5954 -0.5183 -0.6139 46.808 166.117 154.390 B 141 GLY B 84 GLY~? B 144 GLU B 85 GLU~? B 164 GLU B 6 GLU~? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 0.76 A TRANSFORM 0.0900 -0.4473 0.8898 -0.9935 -0.1023 0.0490 0.0692 -0.8885 -0.4536 92.791 96.051 156.762 D 141 GLY A 84 GLY~? D 144 GLU A 85 GLU~? D 164 GLU A 6 GLU~? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 0.79 A TRANSFORM -0.0812 0.2687 -0.9598 0.9895 0.1374 -0.0452 0.1198 -0.9534 -0.2770 54.469 88.304 160.044 C 141 GLY A 84 GLY~? C 144 GLU A 85 GLU~? C 164 GLU A 6 GLU~? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 21 3 RMSD = 0.80 A TRANSFORM 0.0340 -0.9253 0.3777 -0.9100 0.1276 0.3945 -0.4132 -0.3571 -0.8377 29.377 42.335 22.993 A 465 GLY B 97 GLY^? A 501 ASP C 113 ASP~? B 367 TYR A 65 TYR~? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 0.80 A TRANSFORM 0.5015 -0.4960 -0.7088 -0.8611 -0.2067 -0.4646 0.0839 0.8434 -0.5307 66.383 89.219 134.521 F 141 GLY A 84 GLY~? F 144 GLU A 85 GLU~? F 164 GLU A 6 GLU~? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 22 3 RMSD = 0.82 A TRANSFORM 0.7113 -0.6946 -0.1078 0.5552 0.6492 -0.5199 0.4310 0.3099 0.8474 26.171 29.210 -88.145 D 465 GLY B 97 GLY^? D 501 ASP C 113 ASP~? E 367 TYR A 65 TYR~? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 31 3 RMSD = 0.83 A TRANSFORM -0.8199 0.4352 0.3721 0.5629 0.7314 0.3850 -0.1046 0.5251 -0.8446 20.255 -26.811 -13.143 A 465 GLY C 97 GLY^? A 501 ASP A 113 ASP~? B 367 TYR B 65 TYR~? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 0.83 A TRANSFORM 0.3040 0.9521 0.0332 -0.9178 0.3020 -0.2576 -0.2553 0.0478 0.9657 61.478 86.349 168.499 E 141 GLY A 84 GLY~? E 144 GLU A 85 GLU~? E 164 GLU A 6 GLU~? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 10 3 RMSD = 0.83 A TRANSFORM 0.7855 0.4961 0.3699 0.3473 -0.8481 0.4001 0.5123 -0.1858 -0.8385 -37.942 26.035 -14.559 A 465 GLY A 97 GLY^? A 501 ASP B 113 ASP~? B 367 TYR C 65 TYR~? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 0.84 A TRANSFORM -0.4724 0.6249 0.6215 0.8672 0.2039 0.4542 0.1571 0.7536 -0.6383 76.267 95.910 133.611 B 141 GLY A 84 GLY~? B 144 GLU A 85 GLU~? B 164 GLU A 6 GLU~? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 32 3 RMSD = 0.85 A TRANSFORM -0.9562 -0.2736 -0.1042 0.2876 -0.8111 -0.5093 0.0548 -0.5170 0.8542 72.683 80.625 -51.223 D 465 GLY C 97 GLY^? D 501 ASP A 113 ASP~? E 367 TYR B 65 TYR~? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 10 3 RMSD = 0.85 A TRANSFORM 0.2442 0.9626 -0.1171 -0.8424 0.1508 -0.5173 -0.4803 0.2250 0.8478 -4.958 92.795 -53.569 D 465 GLY A 97 GLY^? D 501 ASP B 113 ASP~? E 367 TYR C 65 TYR~? ULMNm 3 1hkd_p00 PEA LECTIN ALPHA CHAIN user 2 3 RMSD = 0.89 A TRANSFORM -0.3575 0.0456 -0.9328 0.9187 0.1964 -0.3426 0.1676 -0.9795 -0.1121 30.220 31.529 11.920 A 81 ASP A 58 ASP.? A 99 GLY A 53 GLY.? A 125 ASN A 142 ASN.? ULMNm 3 1hkd_p00 PEA LECTIN ALPHA CHAIN user 6 3 RMSD = 0.92 A TRANSFORM 0.1050 -0.3256 -0.9397 -0.6516 0.6913 -0.3123 0.7512 0.6451 -0.1396 25.578 71.558 -54.618 A 81 ASP C 58 ASP.? A 99 GLY C 53 GLY.? A 125 ASN C 142 ASN.? ULMNm 3 1xva_c03 GLYCINE N-METHYLTRANSFERASE user 2 3 RMSD = 0.97 A TRANSFORM 0.0825 0.2856 -0.9548 0.3305 -0.9117 -0.2442 -0.9402 -0.2954 -0.1696 112.446 75.809 41.555 B 137 GLY A 97 GLY^? B 175 ARG A 94 ARG^? B 242 TYR C 26 TYR.? ULMNm 3 1lio_c01 ADENOSINE KINASE user 8 3 RMSD = 0.98 A TRANSFORM 0.2831 0.9330 0.2224 0.3282 0.1236 -0.9365 -0.9012 0.3381 -0.2712 -15.048 24.162 84.966 A 316 ALA C 115 ALA~? A 317 GLY C 114 GLY~? A 318 ASP C 113 ASP~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 5 3 RMSD = 0.98 A TRANSFORM -0.9456 -0.2293 0.2307 -0.2804 0.2152 -0.9355 0.1649 -0.9493 -0.2678 61.770 42.890 84.451 A 316 ALA B 115 ALA~? A 317 GLY B 114 GLY~? A 318 ASP B 113 ASP~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 2 3 RMSD = 0.99 A TRANSFORM 0.6669 -0.6943 0.2706 -0.0111 -0.3724 -0.9280 0.7451 0.6158 -0.2560 17.518 50.498 18.674 A 316 ALA A 115 ALA~? A 317 GLY A 114 GLY~? A 318 ASP A 113 ASP~? ULMNm 3 1xva_c03 GLYCINE N-METHYLTRANSFERASE user 9 3 RMSD = 1.00 A TRANSFORM -0.2821 -0.0890 -0.9552 0.6244 0.7389 -0.2532 0.7284 -0.6679 -0.1529 136.039 17.995 -6.820 B 137 GLY C 97 GLY^? B 175 ARG C 94 ARG^? B 242 TYR B 26 TYR.? ULMNm 3 1xva_c03 GLYCINE N-METHYLTRANSFERASE user 5 3 RMSD = 1.01 A TRANSFORM 0.2327 -0.2092 -0.9498 -0.9497 0.1614 -0.2683 0.2094 0.9645 -0.1612 121.254 90.568 -35.538 B 137 GLY B 97 GLY^? B 175 ARG B 94 ARG^? B 242 TYR A 26 TYR.? ULMNm 3 1lij_c01 ADENOSINE KINASE user 8 3 RMSD = 1.07 A TRANSFORM 0.3136 -0.9042 0.2901 0.8636 0.3986 0.3087 -0.3947 0.1537 0.9058 144.251 -42.374 -7.697 A 316 ALA C 115 ALA~? A 317 GLY C 114 GLY~? A 318 ASP C 113 ASP~? ULMNm 3 1lij_c01 ADENOSINE KINASE user 5 3 RMSD = 1.08 A TRANSFORM 0.6215 0.7307 0.2826 -0.7798 0.5425 0.3123 0.0748 -0.4144 0.9070 86.311 11.433 -7.781 A 316 ALA B 115 ALA~? A 317 GLY B 114 GLY~? A 318 ASP B 113 ASP~? ULMNm 3 1lij_c01 ADENOSINE KINASE user 2 3 RMSD = 1.08 A TRANSFORM -0.9536 0.1736 0.2460 -0.0855 -0.9395 0.3319 0.2887 0.2954 0.9107 158.534 29.269 -36.138 A 316 ALA A 115 ALA~? A 317 GLY A 114 GLY~? A 318 ASP A 113 ASP~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 8 3 RMSD = 1.09 A TRANSFORM -0.8518 0.2785 0.4437 0.5219 0.5249 0.6724 -0.0457 0.8043 -0.5925 43.040 -76.864 -52.863 B 250 ALA C 115 ALA~? B 251 GLY C 114 GLY~? B 252 ASP C 113 ASP~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 5 3 RMSD = 1.10 A TRANSFORM 0.1962 -0.8735 0.4456 -0.7124 0.1853 0.6769 -0.6738 -0.4502 -0.5859 39.357 -23.502 5.372 B 250 ALA B 115 ALA~? B 251 GLY B 114 GLY~? B 252 ASP B 113 ASP~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 2 3 RMSD = 1.10 A TRANSFORM 0.6396 0.6212 0.4529 0.1765 -0.6920 0.7000 0.7482 -0.3678 -0.5522 -19.677 -30.141 -47.617 B 250 ALA A 115 ALA~? B 251 GLY A 114 GLY~? B 252 ASP A 113 ASP~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 9 3 RMSD = 1.11 A TRANSFORM 0.8343 0.4620 -0.3009 0.3035 -0.8404 -0.4490 -0.4603 0.2833 -0.8414 -20.606 37.874 76.041 A 316 ALA C 115 ALA~? A 317 GLY C 114 GLY~? A 318 ASP C 117 ASP~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 3 3 RMSD = 1.12 A TRANSFORM 0.0059 -0.9593 -0.2824 -0.8714 0.1336 -0.4721 0.4906 0.2489 -0.8351 49.407 51.515 43.474 A 316 ALA A 115 ALA~? A 317 GLY A 114 GLY~? A 318 ASP A 117 ASP~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 8 3 RMSD = 1.12 A TRANSFORM -0.6481 -0.6897 -0.3229 0.7162 -0.4078 -0.5663 0.2589 -0.5983 0.7583 83.859 -30.195 -18.979 A 250 ALA C 115 ALA~? A 251 GLY C 114 GLY~? A 252 ASP C 113 ASP~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 5 3 RMSD = 1.13 A TRANSFORM 0.9210 -0.2089 -0.3288 -0.0168 0.8220 -0.5692 0.3892 0.5298 0.7536 14.664 -39.870 -56.007 A 250 ALA B 115 ALA~? A 251 GLY B 114 GLY~? A 252 ASP B 113 ASP~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 6 3 RMSD = 1.13 A TRANSFORM -0.8237 0.4760 -0.3082 0.5670 0.6871 -0.4543 -0.0045 -0.5490 -0.8358 37.769 -15.519 83.931 A 316 ALA B 115 ALA~? A 317 GLY B 114 GLY~? A 318 ASP B 117 ASP~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 2 3 RMSD = 1.13 A TRANSFORM -0.2732 0.8922 -0.3596 -0.6814 -0.4434 -0.5823 -0.6790 0.0859 0.7291 25.657 20.490 -5.284 A 250 ALA A 115 ALA~? A 251 GLY A 114 GLY~? A 252 ASP A 113 ASP~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 7 3 RMSD = 1.17 A TRANSFORM 0.3513 0.7819 -0.5150 -0.9359 0.2771 -0.2176 -0.0275 0.5585 0.8291 2.523 70.964 5.788 A 316 ALA C 111 ALA~? A 317 GLY C 114 GLY~? A 318 ASP C 113 ASP~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 4 3 RMSD = 1.18 A TRANSFORM -0.8572 -0.0918 -0.5067 0.2316 -0.9476 -0.2202 -0.4599 -0.3061 0.8336 70.079 65.166 46.087 A 316 ALA B 111 ALA~? A 317 GLY B 114 GLY~? A 318 ASP B 113 ASP~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 3 3 RMSD = 1.19 A TRANSFORM 0.8939 -0.0177 -0.4479 0.1470 -0.9324 0.3302 -0.4235 -0.3610 -0.8309 5.169 -17.175 -14.728 B 250 ALA A 115 ALA~? B 251 GLY A 114 GLY~? B 252 ASP A 117 ASP~? ULMNm 3 1lij_c01 ADENOSINE KINASE user 3 3 RMSD = 1.19 A TRANSFORM -0.0090 0.4458 0.8951 -0.3647 -0.8349 0.4122 0.9311 -0.3227 0.1701 117.948 32.182 -24.026 A 316 ALA A 115 ALA~? A 317 GLY A 114 GLY~? A 318 ASP A 117 ASP~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 9 3 RMSD = 1.19 A TRANSFORM -0.4214 0.7787 -0.4649 0.7462 0.5890 0.3101 0.5153 -0.2162 -0.8293 28.738 -81.969 -52.028 B 250 ALA C 115 ALA~? B 251 GLY C 114 GLY~? B 252 ASP C 117 ASP~? ULMNm 3 1lij_c01 ADENOSINE KINASE user 9 3 RMSD = 1.19 A TRANSFORM -0.3797 -0.2004 0.9031 0.9096 0.0970 0.4039 -0.1685 0.9749 0.1455 149.600 -39.527 -22.416 A 316 ALA C 115 ALA~? A 317 GLY C 114 GLY~? A 318 ASP C 117 ASP~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 6 3 RMSD = 1.21 A TRANSFORM -0.4502 -0.7649 -0.4608 -0.8898 0.3412 0.3030 -0.0745 0.5464 -0.8342 74.348 -16.817 -53.133 B 250 ALA B 115 ALA~? B 251 GLY B 114 GLY~? B 252 ASP B 117 ASP~? ULMNm 3 1lij_c01 ADENOSINE KINASE user 6 3 RMSD = 1.21 A TRANSFORM 0.3628 -0.2148 0.9068 -0.5513 0.7350 0.3947 -0.7513 -0.6432 0.1482 123.662 -6.165 44.947 A 316 ALA B 115 ALA~? A 317 GLY B 114 GLY~? A 318 ASP B 117 ASP~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 3 3 RMSD = 1.22 A TRANSFORM 0.2005 0.9722 -0.1209 -0.8846 0.2327 0.4041 0.4210 0.0260 0.9067 8.120 -8.051 -33.389 A 250 ALA A 115 ALA~? A 251 GLY A 114 GLY~? A 252 ASP A 117 ASP~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 1 3 RMSD = 1.22 A TRANSFORM 0.5140 -0.7113 -0.4794 0.7166 0.6633 -0.2157 0.4714 -0.2327 0.8507 39.003 1.486 10.469 A 316 ALA A 111 ALA~? A 317 GLY A 114 GLY~? A 318 ASP A 113 ASP~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 9 3 RMSD = 1.22 A TRANSFORM -0.9482 -0.2991 -0.1067 0.2287 -0.8764 0.4238 -0.2203 0.3774 0.8995 85.137 -15.503 -20.846 A 250 ALA C 115 ALA~? A 251 GLY C 114 GLY~? A 252 ASP C 117 ASP~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 6 3 RMSD = 1.23 A TRANSFORM 0.7435 -0.6616 -0.0976 0.6329 0.6489 0.4222 -0.2160 -0.3757 0.9012 35.639 -73.904 0.753 A 250 ALA B 115 ALA~? A 251 GLY B 114 GLY~? A 252 ASP B 117 ASP~? ULMNm 3 1vom_c00 MYOSIN user 1 3 RMSD = 1.26 A TRANSFORM -0.8740 -0.1757 -0.4530 0.0204 -0.9448 0.3271 -0.4854 0.2766 0.8294 93.031 45.051 -31.100 233 ASN C 25 ASN.? 457 GLY A 127 GLY~? 459 GLU C 27 GLU.? ULMNm 3 1qaz_c00 ALGINATE LYASE A1-III user 2 3 RMSD = 1.31 A TRANSFORM 0.2164 0.0203 -0.9761 0.6485 0.7444 0.1592 0.7298 -0.6675 0.1479 8.220 -55.387 -4.758 A 191 ASN B 25 ASN.? A 239 ARG C 131 ARG^? A 246 TYR B 26 TYR.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 5 3 RMSD = 1.31 A TRANSFORM 0.2702 -0.4465 0.8530 -0.7309 -0.6718 -0.1201 0.6267 -0.5910 -0.5078 -15.429 68.239 24.031 141 ASP B 58 ASP.? 166 GLY B 114 GLY~? 169 GLU B 121 GLU~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 9 3 RMSD = 1.32 A TRANSFORM -0.5216 -0.0107 0.8531 -0.2208 0.9675 -0.1229 -0.8241 -0.2525 -0.5070 -0.213 3.139 65.402 141 ASP C 58 ASP.? 166 GLY C 114 GLY~? 169 GLU C 121 GLU~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 RMSD = 1.33 A TRANSFORM 0.2390 0.4869 0.8401 0.9569 -0.2650 -0.1186 0.1649 0.8323 -0.5293 -40.899 -2.432 -0.752 141 ASP A 58 ASP.? 166 GLY A 114 GLY~? 169 GLU A 121 GLU~? ULMNm 3 1lij_c01 ADENOSINE KINASE user 7 3 RMSD = 1.36 A TRANSFORM 0.0337 -0.9920 -0.1213 0.2225 0.1258 -0.9668 0.9743 0.0056 0.2250 171.723 29.601 -61.297 A 316 ALA C 111 ALA~? A 317 GLY C 114 GLY~? A 318 ASP C 113 ASP~? ULMNm 3 2hdh_c02 L-3-HYDROXYACYL COA DEHYDROGENASE user 2 3 RMSD = 1.37 A TRANSFORM 0.5731 0.7942 -0.2021 0.0371 0.2212 0.9745 0.8186 -0.5660 0.0973 2.162 20.793 70.739 B 137 SER B 116 SER~? B 158 HIS B 129 HIS.? B 208 ASN A 25 ASN.? ULMNm 3 1lij_c01 ADENOSINE KINASE user 4 3 RMSD = 1.37 A TRANSFORM 0.8383 0.5296 -0.1297 -0.2300 0.1278 -0.9648 -0.4944 0.8386 0.2290 99.581 45.269 -33.597 A 316 ALA B 111 ALA~? A 317 GLY B 114 GLY~? A 318 ASP B 113 ASP~? ULMNm 3 2hdh_c02 L-3-HYDROXYACYL COA DEHYDROGENASE user 1 3 RMSD = 1.37 A TRANSFORM -0.9725 0.1210 -0.1988 -0.2059 -0.0496 0.9773 0.1084 0.9914 0.0731 76.464 37.311 51.543 B 137 SER A 116 SER~? B 158 HIS A 129 HIS.? B 208 ASN C 25 ASN.? ULMNm 3 2f61_c01 ACID BETA-GLUCOSIDASE user 3 3 RMSD = 1.38 A TRANSFORM -0.3922 0.6639 0.6368 -0.7479 0.1729 -0.6409 -0.5355 -0.7276 0.4287 51.138 142.736 40.476 B 235 GLU C 6 GLU~? B 340 GLU C 85 GLU~? B 342 CYH C 83 CYH~? ULMNm 3 1emh_d00 HYDROLASE/DNA user 3 3 RMSD = 1.40 A TRANSFORM 0.3706 0.8990 0.2333 -0.8237 0.4342 -0.3646 -0.4290 -0.0570 0.9015 -20.007 11.444 2.295 A 271 PRO A 43 PRO.? A 272 LEU A 70 LEU~? A 276 ARG A 69 ARG~? ULMNm 3 1fdy_c02 N-ACETYLNEURAMINATE LYASE user 2 3 RMSD = 1.40 A TRANSFORM -0.9903 -0.1365 -0.0266 -0.0397 0.0945 0.9947 -0.1333 0.9861 -0.0990 4.402 -96.954 -54.403 C 137 TYR A 65 TYR~? C 142 LEU A 118 LEU~? C 165 LYS A 110 LYS~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 7 3 RMSD = 1.40 A TRANSFORM 0.6386 0.3354 0.6926 0.6606 0.2228 -0.7170 -0.3948 0.9153 -0.0793 -44.696 -43.406 -49.480 B 250 ALA C 111 ALA~? B 251 GLY C 114 GLY~? B 252 ASP C 113 ASP~? ULMNm 3 1fdy_c01 N-ACETYLNEURAMINATE LYASE user 1 3 RMSD = 1.41 A TRANSFORM 0.3680 -0.7898 0.4907 -0.3356 -0.6050 -0.7221 0.8671 0.1011 -0.4877 -9.269 -44.388 -41.832 B 137 TYR A 65 TYR~? B 142 LEU A 118 LEU~? B 165 LYS A 110 LYS~? ULMNm 3 1lij_c01 ADENOSINE KINASE user 1 3 RMSD = 1.41 A TRANSFORM -0.8696 0.4669 -0.1605 0.0255 -0.2822 -0.9590 -0.4931 -0.8381 0.2335 162.481 48.174 14.588 A 316 ALA A 111 ALA~? A 317 GLY A 114 GLY~? A 318 ASP A 113 ASP~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 4 3 RMSD = 1.42 A TRANSFORM -0.6053 0.3825 0.6981 -0.5325 0.4572 -0.7123 -0.5916 -0.8029 -0.0731 -2.173 -8.345 6.920 B 250 ALA B 111 ALA~? B 251 GLY B 114 GLY~? B 252 ASP B 113 ASP~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 7 3 RMSD = 1.43 A TRANSFORM -0.3382 -0.4340 0.8350 -0.7551 -0.4045 -0.5160 0.5617 -0.8050 -0.1909 33.042 47.842 -7.024 A 250 ALA C 111 ALA~? A 251 GLY C 114 GLY~? A 252 ASP C 113 ASP~? ULMNm 3 1emh_d00 HYDROLASE/DNA user 6 3 RMSD = 1.43 A TRANSFORM 0.5921 -0.7660 0.2504 0.7982 0.5147 -0.3128 0.1108 0.3851 0.9162 19.808 -49.649 -29.487 A 271 PRO B 43 PRO.? A 272 LEU B 70 LEU~? A 276 ARG B 69 ARG~? ULMNm 3 1emh_d00 HYDROLASE/DNA user 9 3 RMSD = 1.43 A TRANSFORM -0.9601 -0.1144 0.2551 0.0254 -0.9443 -0.3280 0.2784 -0.3084 0.9096 55.628 20.485 -15.554 A 271 PRO C 43 PRO.? A 272 LEU C 70 LEU~? A 276 ARG C 69 ARG~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 4 3 RMSD = 1.44 A TRANSFORM 0.5531 -0.0722 0.8300 0.7254 -0.4482 -0.5224 0.4097 0.8910 -0.1955 -8.560 -3.063 -50.566 A 250 ALA B 111 ALA~? A 251 GLY B 114 GLY~? A 252 ASP B 113 ASP~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.45 A TRANSFORM -0.0531 -0.7013 0.7109 -0.1193 -0.7024 -0.7017 0.9914 -0.1221 -0.0464 9.128 10.451 -69.269 B 250 ALA A 111 ALA~? B 251 GLY A 114 GLY~? B 252 ASP A 113 ASP~? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 7 3 RMSD = 1.45 A TRANSFORM 0.4826 0.8621 -0.1546 -0.1371 0.2487 0.9588 0.8650 -0.4416 0.2382 -7.053 21.876 -58.501 D 465 GLY A 53 GLY.? D 501 ASP B 58 ASP.? E 367 TYR A 29 TYR^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 12 3 RMSD = 1.46 A TRANSFORM 0.9924 0.0161 0.1219 -0.0504 -0.8512 0.5225 0.1122 -0.5247 -0.8439 -50.822 20.620 26.357 141 ASP C 117 ASP~? 166 GLY C 40 GLY.? 169 GLU A 96 GLU^? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 7 3 RMSD = 1.47 A TRANSFORM 0.4502 0.3251 -0.8317 -0.3056 -0.8191 -0.4856 -0.8390 0.4727 -0.2694 15.708 72.254 -7.895 A 465 GLY A 53 GLY.? A 501 ASP B 58 ASP.? B 367 TYR A 29 TYR^? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.48 A TRANSFORM -0.2288 0.5333 0.8144 0.0473 0.8417 -0.5379 -0.9723 -0.0846 -0.2178 1.754 -15.842 26.995 A 250 ALA A 111 ALA~? A 251 GLY A 114 GLY~? A 252 ASP A 113 ASP~? ULMNm 3 1fdy_c03 N-ACETYLNEURAMINATE LYASE user 1 3 RMSD = 1.48 A TRANSFORM 0.9683 -0.0806 -0.2366 0.2271 0.6791 0.6980 0.1044 -0.7296 0.6759 -32.901 -115.428 -18.555 D 137 TYR A 65 TYR~? D 142 LEU A 118 LEU~? D 165 LYS A 110 LYS~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 3 3 RMSD = 1.48 A TRANSFORM -0.4816 -0.8672 0.1264 -0.7313 0.4771 0.4874 -0.4830 0.1423 -0.8640 26.571 6.967 28.623 141 ASP A 117 ASP~? 166 GLY A 40 GLY.? 169 GLU B 96 GLU^? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 14 3 RMSD = 1.49 A TRANSFORM -0.2838 -0.1907 0.9397 0.6713 0.6603 0.3367 -0.6847 0.7264 -0.0594 22.625 -1.363 -39.562 D 465 GLY B 40 GLY.? D 501 ASP B 58 ASP.? E 367 TYR C 26 TYR.? ULMNm 3 2hdh_c02 L-3-HYDROXYACYL COA DEHYDROGENASE user 3 3 RMSD = 1.49 A TRANSFORM 0.4974 -0.7926 -0.3528 0.1354 -0.3307 0.9340 -0.8569 -0.5123 -0.0572 51.882 34.044 130.495 B 137 SER C 116 SER~? B 158 HIS C 129 HIS.? B 208 ASN B 25 ASN.? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 18 3 RMSD = 1.49 A TRANSFORM 0.5280 -0.8369 -0.1441 0.2564 -0.0046 0.9666 -0.8096 -0.5473 0.2121 39.822 15.189 4.400 D 465 GLY B 53 GLY.? D 501 ASP C 58 ASP.? E 367 TYR B 29 TYR^? ULMNm 3 1fdy_c00 N-ACETYLNEURAMINATE LYASE user 1 3 RMSD = 1.49 A TRANSFORM -0.3339 0.9182 -0.2131 0.1608 -0.1673 -0.9727 -0.9288 -0.3590 -0.0918 -36.976 -63.922 1.943 A 137 TYR A 65 TYR~? A 142 LEU A 118 LEU~? A 165 LYS A 110 LYS~?