*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 RMSD = 0.92 A TRANSFORM 0.5368 0.7513 -0.3840 0.5312 -0.6545 -0.5379 -0.6554 0.0848 -0.7505 -59.901 21.874 106.668 141 ASP A 17 ASP~? 166 GLY D 79 GLY.? 169 GLU D 46 GLU^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 2 3 RMSD = 0.99 A TRANSFORM 0.0431 -0.5809 0.8129 -0.9329 -0.3145 -0.1753 0.3575 -0.7508 -0.5555 -29.660 95.839 57.152 141 ASP A 85 ASP~? 166 GLY A 79 GLY^? 169 GLU C 61 GLU~? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.04 A TRANSFORM -0.9290 -0.3677 0.0425 0.1829 -0.5559 -0.8109 0.3218 -0.7455 0.5837 160.559 118.124 106.644 D 141 GLY B 47 GLY^? D 144 GLU B 51 GLU~? D 164 GLU B 48 GLU^? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.04 A TRANSFORM -0.9895 0.1369 -0.0464 0.0431 0.5860 0.8092 0.1380 0.7987 -0.5857 147.976 -11.952 118.172 D 141 GLY A 47 GLY^? D 144 GLU A 51 GLU~? D 164 GLU A 48 GLU^? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 4 3 RMSD = 1.04 A TRANSFORM 0.9835 -0.1622 -0.0804 -0.0505 -0.6720 0.7388 -0.1739 -0.7225 -0.6691 14.832 54.389 212.684 D 141 GLY D 47 GLY^? D 144 GLU D 51 GLU~? D 164 GLU D 48 GLU^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 3 3 RMSD = 1.04 A TRANSFORM 0.7285 -0.5809 0.3630 0.3407 0.7670 0.5437 -0.5943 -0.2724 0.7567 -58.370 -85.896 34.039 141 ASP B 17 ASP~? 166 GLY C 79 GLY.? 169 GLU C 46 GLU^? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 3 3 RMSD = 1.04 A TRANSFORM 0.9203 0.3846 0.0723 -0.2102 0.6417 -0.7376 -0.3301 0.6636 0.6713 -12.878 91.207 88.749 D 141 GLY C 47 GLY^? D 144 GLU C 51 GLU~? D 164 GLU C 48 GLU^? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 4 3 RMSD = 1.06 A TRANSFORM -0.0034 0.9834 -0.1815 0.4988 -0.1557 -0.8526 -0.8667 -0.0935 -0.4900 69.923 86.534 255.223 E 141 GLY B 47 GLY^? E 144 GLU B 51 GLU~? E 164 GLU B 48 GLU^? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 8 3 RMSD = 1.06 A TRANSFORM -0.4769 -0.1952 -0.8570 -0.4900 -0.7505 0.4435 -0.7297 0.6314 0.2622 159.657 102.835 179.928 F 141 GLY D 47 GLY^? F 144 GLU D 51 GLU~? F 164 GLU D 48 GLU^? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 6 3 RMSD = 1.06 A TRANSFORM -0.5020 0.0808 0.8611 -0.6534 0.6169 -0.4388 -0.5666 -0.7829 -0.2569 53.469 104.382 258.667 F 141 GLY C 47 GLY^? F 144 GLU C 51 GLU~? F 164 GLU C 48 GLU^? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 8 3 RMSD = 1.06 A TRANSFORM -0.1941 0.9353 0.2960 -0.4407 -0.3527 0.8255 0.8764 0.0298 0.4806 59.711 72.193 64.868 E 141 GLY D 47 GLY^? E 144 GLU D 51 GLU~? E 164 GLU D 48 GLU^? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 4 3 RMSD = 1.06 A TRANSFORM 0.5119 -0.1934 0.8370 0.6306 -0.5771 -0.5190 0.5834 0.7935 -0.1735 -9.071 64.731 98.547 F 141 GLY B 47 GLY^? F 144 GLU B 51 GLU~? F 164 GLU B 48 GLU^? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.06 A TRANSFORM 0.2290 -0.9556 0.1854 0.4451 0.2722 0.8531 -0.8657 -0.1128 0.4877 116.883 -23.515 201.342 E 141 GLY A 47 GLY^? E 144 GLU A 51 GLU~? E 164 GLU A 48 GLU^? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 6 3 RMSD = 1.06 A TRANSFORM 0.0244 -0.9551 -0.2953 -0.5169 0.2408 -0.8215 0.8557 0.1727 -0.4878 159.231 143.830 114.280 E 141 GLY C 47 GLY^? E 144 GLU C 51 GLU~? E 164 GLU C 48 GLU^? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.06 A TRANSFORM 0.4541 0.3063 -0.8366 0.4743 0.7118 0.5180 0.7542 -0.6321 0.1780 66.937 -37.954 128.518 F 141 GLY A 47 GLY^? F 144 GLU A 51 GLU~? F 164 GLU A 48 GLU^? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 4 3 RMSD = 1.06 A TRANSFORM 0.9756 0.2113 0.0594 -0.1747 0.5840 0.7928 0.1328 -0.7838 0.6066 -21.241 66.485 123.133 C 141 GLY B 47 GLY^? C 144 GLU B 51 GLU~? C 164 GLU B 48 GLU^? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.06 A TRANSFORM 0.9981 0.0256 -0.0562 -0.0288 -0.6114 -0.7908 -0.0546 0.7909 -0.6095 -8.333 196.402 136.215 C 141 GLY A 47 GLY^? C 144 GLU A 51 GLU~? C 164 GLU A 48 GLU^? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 8 3 RMSD = 1.06 A TRANSFORM -0.9991 0.0124 -0.0395 0.0370 0.6955 -0.7176 0.0185 -0.7185 -0.6953 141.234 129.856 201.423 C 141 GLY D 47 GLY^? C 144 GLU D 51 GLU~? C 164 GLU D 48 GLU^? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 6 3 RMSD = 1.06 A TRANSFORM -0.9690 -0.2424 0.0479 0.2025 -0.6678 0.7162 -0.1416 0.7037 0.6962 145.219 97.157 73.368 C 141 GLY C 47 GLY^? C 144 GLU C 51 GLU~? C 164 GLU C 48 GLU^? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.11 A TRANSFORM -0.3498 -0.4146 0.8401 -0.4576 -0.7068 -0.5394 0.8174 -0.5731 0.0575 78.027 223.107 126.501 B 141 GLY A 47 GLY^? B 144 GLU A 51 GLU~? B 164 GLU A 48 GLU^? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 4 3 RMSD = 1.11 A TRANSFORM -0.4359 0.3230 -0.8400 -0.6136 0.5761 0.5400 0.6584 0.7508 -0.0529 146.092 118.285 86.631 B 141 GLY B 47 GLY^? B 144 GLU B 51 GLU~? B 164 GLU B 48 GLU^? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 8 3 RMSD = 1.11 A TRANSFORM 0.3765 0.3055 0.8746 0.4728 0.7485 -0.4649 -0.7967 0.5886 0.1373 -9.692 85.156 192.354 B 141 GLY D 47 GLY^? B 144 GLU D 51 GLU~? B 164 GLU D 48 GLU^? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 6 3 RMSD = 1.11 A TRANSFORM 0.4293 -0.2112 -0.8781 0.6366 -0.6189 0.4601 -0.6406 -0.7566 -0.1312 106.903 81.193 254.594 B 141 GLY C 47 GLY^? B 144 GLU C 51 GLU~? B 164 GLU C 48 GLU^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 7 3 RMSD = 1.16 A TRANSFORM 0.0716 0.4272 0.9013 0.8605 0.4305 -0.2724 -0.5044 0.7951 -0.3368 -77.483 -64.070 42.078 141 ASP D 85 ASP~? 166 GLY B 64 GLY~? 169 GLU B 58 GLU~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 6 3 RMSD = 1.27 A TRANSFORM -0.1775 -0.9216 0.3451 0.5852 -0.3808 -0.7160 0.7913 0.0749 0.6069 31.262 20.343 -114.237 141 ASP D 85 ASP~? 166 GLY A 15 GLY~? 169 GLU A 66 GLU.? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 5 3 RMSD = 1.32 A TRANSFORM -0.2871 0.9499 0.1239 0.9186 0.2363 0.3168 0.2716 0.2048 -0.9404 -7.548 -95.916 166.573 C 70 ALA B 3 ALA^? C 126 LEU B 52 LEU~? C 158 GLU B 51 GLU~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 1 3 RMSD = 1.34 A TRANSFORM -0.0590 -0.9893 -0.1337 0.9561 -0.0175 -0.2926 0.2871 -0.1451 0.9468 74.748 -53.671 75.302 C 70 ALA A 3 ALA^? C 126 LEU A 52 LEU~? C 158 GLU A 51 GLU~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 5 3 RMSD = 1.34 A TRANSFORM 0.9431 -0.2683 0.1965 -0.1930 -0.9227 -0.3336 0.2709 0.2767 -0.9220 -104.826 61.621 164.744 B 70 ALA B 3 ALA^? B 126 LEU B 52 LEU~? B 158 GLU B 51 GLU~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 13 3 RMSD = 1.34 A TRANSFORM 0.0964 0.9953 -0.0084 -0.9476 0.0892 -0.3067 -0.3046 0.0376 0.9518 -31.154 85.761 111.961 C 70 ALA D 3 ALA^? C 126 LEU D 52 LEU~? C 158 GLU D 51 GLU~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 9 3 RMSD = 1.35 A TRANSFORM 0.3215 -0.9468 0.0144 -0.9096 -0.3046 0.2827 -0.2633 -0.1040 -0.9591 35.921 66.927 221.582 C 70 ALA C 3 ALA^? C 126 LEU C 52 LEU~? C 158 GLU C 51 GLU~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 5 3 RMSD = 1.35 A TRANSFORM -0.6256 -0.6563 -0.4219 -0.6961 0.7137 -0.0780 0.3522 0.2449 -0.9033 80.126 66.831 156.732 A 70 ALA B 3 ALA^? A 126 LEU B 52 LEU~? A 158 GLU B 51 GLU~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 13 3 RMSD = 1.36 A TRANSFORM -0.8731 -0.4210 -0.2457 0.3692 -0.9003 0.2307 -0.3183 0.1107 0.9415 63.297 -13.021 112.662 B 70 ALA D 3 ALA^? B 126 LEU D 52 LEU~? B 158 GLU D 51 GLU~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 1 3 RMSD = 1.36 A TRANSFORM 0.8614 0.4784 -0.1705 -0.4073 0.8513 0.3306 0.3033 -0.2153 0.9282 -111.034 -37.127 80.500 B 70 ALA A 3 ALA^? B 126 LEU A 52 LEU~? B 158 GLU A 51 GLU~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 9 3 RMSD = 1.36 A TRANSFORM -0.9525 0.2091 0.2213 0.1591 0.9616 -0.2238 -0.2596 -0.1779 -0.9492 15.209 -53.438 226.283 B 70 ALA C 3 ALA^? B 126 LEU C 52 LEU~? B 158 GLU C 51 GLU~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 1 3 RMSD = 1.36 A TRANSFORM -0.7697 0.4924 0.4063 -0.5162 -0.8545 0.0576 0.3756 -0.1654 0.9119 -5.589 114.568 71.528 A 70 ALA A 3 ALA^? A 126 LEU A 52 LEU~? A 158 GLU A 51 GLU~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 13 3 RMSD = 1.36 A TRANSFORM 0.7421 -0.5671 0.3573 0.5439 0.8210 0.1734 -0.3917 0.0657 0.9177 -70.081 -45.332 119.239 A 70 ALA D 3 ALA^? A 126 LEU D 52 LEU~? A 158 GLU D 51 GLU~? ULMNm 3 2dbt_c02 CHITINASE C user 13 3 RMSD = 1.36 A TRANSFORM 0.9981 -0.0295 -0.0539 -0.0107 -0.9476 0.3193 -0.0605 -0.3181 -0.9461 -37.157 39.771 93.788 C 147 GLU D 46 GLU^? C 156 GLU D 86 GLU~? C 194 ASN B 69 ASN.? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 9 3 RMSD = 1.37 A TRANSFORM 0.6015 0.7229 -0.3399 0.7218 -0.6742 -0.1565 -0.3423 -0.1512 -0.9274 -76.945 25.539 227.842 A 70 ALA C 3 ALA^? A 126 LEU C 52 LEU~? A 158 GLU C 51 GLU~? ULMNm 3 2dbt_c01 CHITINASE C user 13 3 RMSD = 1.37 A TRANSFORM 0.7430 0.3739 0.5552 -0.1344 0.8959 -0.4235 -0.6557 0.2400 0.7159 -66.689 73.724 14.492 B 147 GLU D 46 GLU^? B 156 GLU D 86 GLU~? B 194 ASN B 69 ASN.? ULMNm 3 2hos_d00 TRANSCRIPTION/DNA user 3 3 RMSD = 1.40 A TRANSFORM -0.5243 -0.1876 -0.8306 0.8307 0.1018 -0.5474 0.1873 -0.9770 0.1024 110.363 -2.620 67.941 A 5 ARG C 18 ARG~? A 50 LYS A 75 LYS^? A 51 ASN C 73 ASN^? ULMNm 3 1qho_c07 ALPHA-AMYLASE user 1 3 RMSD = 1.41 A TRANSFORM -0.2940 0.5568 0.7769 -0.5480 -0.7641 0.3403 0.7831 -0.3257 0.5298 -21.640 117.608 -25.534 A 228 ASP C 17 ASP~? A 260 ASP D 17 ASP~? A 329 ASP C 68 ASP.? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.43 A TRANSFORM -0.1433 -0.9807 0.1331 -0.4778 -0.0492 -0.8771 0.8667 -0.1893 -0.4616 146.659 175.373 156.059 E 141 GLY A 47 GLY^? E 144 GLU A 48 GLU^? E 164 GLU A 51 GLU~? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 7 3 RMSD = 1.43 A TRANSFORM 0.1774 0.9547 0.2391 0.4654 0.1328 -0.8751 -0.8671 0.2665 -0.4208 31.943 96.184 263.811 E 141 GLY D 47 GLY^? E 144 GLU D 48 GLU^? E 164 GLU D 51 GLU~? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 5 3 RMSD = 1.43 A TRANSFORM 0.3915 -0.8879 -0.2417 0.4909 -0.0207 0.8709 -0.7783 -0.4597 0.4278 123.531 3.503 241.571 E 141 GLY C 47 GLY^? E 144 GLU C 48 GLU^? E 164 GLU C 51 GLU~? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 3 3 RMSD = 1.43 A TRANSFORM -0.3710 0.9196 -0.1296 -0.4780 -0.0694 0.8756 0.7962 0.3868 0.4653 95.219 78.294 84.305 E 141 GLY B 47 GLY^? E 144 GLU B 48 GLU^? E 164 GLU B 51 GLU~? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.43 A TRANSFORM -0.4749 0.5150 0.7136 -0.5405 0.4692 -0.6984 -0.6945 -0.7173 0.0555 9.895 127.127 238.050 F 141 GLY A 47 GLY^? F 144 GLU A 48 GLU^? F 164 GLU A 51 GLU~? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 7 3 RMSD = 1.44 A TRANSFORM 0.4689 -0.6064 0.6421 0.5138 -0.4040 -0.7568 0.7184 0.6848 0.1222 -7.599 89.255 66.868 F 141 GLY D 47 GLY^? F 144 GLU D 48 GLU^? F 164 GLU D 51 GLU~? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 5 3 RMSD = 1.44 A TRANSFORM 0.3106 0.6979 -0.6454 0.4126 0.5127 0.7529 0.8563 -0.5001 -0.1287 19.004 -27.641 122.518 F 141 GLY C 47 GLY^? F 144 GLU C 48 GLU^? F 164 GLU C 51 GLU~? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 3 3 RMSD = 1.44 A TRANSFORM -0.3377 -0.6096 -0.7172 -0.4157 -0.5870 0.6947 -0.8445 0.5327 -0.0552 128.830 86.144 200.754 F 141 GLY B 47 GLY^? F 144 GLU B 48 GLU^? F 164 GLU B 51 GLU~? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 7 3 RMSD = 1.44 A TRANSFORM -0.3593 0.7132 -0.6019 -0.5053 0.3936 0.7680 0.7846 0.5801 0.2189 138.624 94.659 55.151 B 141 GLY D 47 GLY^? B 144 GLU D 48 GLU^? B 164 GLU D 51 GLU~? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.44 A TRANSFORM 0.3694 -0.6294 -0.6837 0.5317 -0.4602 0.7110 -0.7621 -0.6262 0.1646 147.524 57.143 227.067 B 141 GLY A 47 GLY^? B 144 GLU A 48 GLU^? B 164 GLU A 51 GLU~? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 5 3 RMSD = 1.44 A TRANSFORM -0.1795 -0.7764 0.6041 -0.4065 -0.5006 -0.7643 0.8958 -0.3828 -0.2258 123.095 212.012 113.888 B 141 GLY C 47 GLY^? B 144 GLU C 48 GLU^? B 164 GLU C 51 GLU~? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 3 3 RMSD = 1.45 A TRANSFORM 0.2088 0.6956 0.6874 0.4091 0.5763 -0.7075 -0.8883 0.4289 -0.1642 24.911 100.248 208.727 B 141 GLY B 47 GLY^? B 144 GLU B 48 GLU^? B 164 GLU B 51 GLU~? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 7 3 RMSD = 1.46 A TRANSFORM 0.9978 0.0052 0.0657 -0.0652 0.2227 0.9727 -0.0096 -0.9749 0.2226 -32.265 39.084 149.835 C 141 GLY D 47 GLY^? C 144 GLU D 48 GLU^? C 164 GLU D 51 GLU~? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.46 A TRANSFORM -0.9958 -0.0452 0.0801 0.0906 -0.3281 0.9403 -0.0162 0.9436 0.3308 118.761 53.005 60.147 C 141 GLY A 47 GLY^? C 144 GLU A 48 GLU^? C 164 GLU A 51 GLU~? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 5 3 RMSD = 1.46 A TRANSFORM 0.9714 0.2257 -0.0738 -0.0198 -0.2327 -0.9723 -0.2367 0.9460 -0.2216 -32.128 164.268 107.444 C 141 GLY C 47 GLY^? C 144 GLU C 48 GLU^? C 164 GLU C 51 GLU~? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 3 3 RMSD = 1.46 A TRANSFORM -0.9780 -0.1913 -0.0831 0.0124 0.3443 -0.9388 0.2082 -0.9192 -0.3343 132.962 134.463 162.059 C 141 GLY B 47 GLY^? C 144 GLU B 48 GLU^? C 164 GLU B 51 GLU~? ULMNm 3 1muc_c00 MUCONATE LACTONIZING ENZYME user 1 3 RMSD = 1.49 A TRANSFORM -0.0330 -0.4374 0.8987 0.8895 -0.4229 -0.1732 0.4558 0.7936 0.4030 -24.098 -28.717 -73.903 A 167 LYS D 87 LYS~? A 169 LYS D 90 LYS.? A 327 GLU D 46 GLU^? ULMNm 3 2dbt_c00 CHITINASE C user 17 3 RMSD = 1.49 A TRANSFORM -0.9405 -0.1715 -0.2935 0.0243 0.8273 -0.5613 0.3390 -0.5350 -0.7739 178.325 24.906 51.229 A 147 GLU D 46 GLU^? A 156 GLU D 86 GLU~? A 194 ASN B 69 ASN.? ULMNm 3 1cns_c00 CHITINASE user 1 3 RMSD = 1.50 A TRANSFORM -0.4173 -0.9065 -0.0647 -0.8982 0.4006 0.1810 -0.1381 0.1337 -0.9814 51.303 50.070 118.841 A 67 GLU C 42 GLU.? A 89 GLU C 86 GLU.? A 120 SER C 4 SER^?