==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 14-APR-08 3CTV . COMPND 2 MOLECULE: 3-HYDROXYACYL-COA DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS DSM 4304; . AUTHOR J.OSIPIUK,E.EVDOKIMOVA,M.KUDRITSKA,A.SAVCHENKO,A.M.EDWARDS, . 92 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6033.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 68 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 58.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 0 0 1 0 1 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 15 A K 0 0 207 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 124.2 73.6 44.9 48.4 2 16 A I - 0 0 84 2,-0.0 3,-0.0 3,-0.0 0, 0.0 -0.670 360.0-151.5-103.0 144.7 74.9 48.4 47.7 3 17 A N > - 0 0 80 -2,-0.3 4,-0.5 1,-0.1 3,-0.5 -0.534 30.5-115.6 -97.7 167.4 76.7 50.0 44.8 4 18 A P H >> S+ 0 0 106 0, 0.0 3,-1.1 0, 0.0 4,-0.6 0.853 116.6 62.0 -68.8 -29.8 79.1 52.9 44.7 5 19 A X H >> S+ 0 0 70 1,-0.3 4,-1.8 2,-0.2 3,-0.6 0.757 89.1 67.3 -69.8 -24.3 76.5 54.6 42.6 6 20 A D H 3> S+ 0 0 7 -3,-0.5 4,-2.2 1,-0.2 -1,-0.3 0.813 92.5 63.3 -63.7 -28.6 73.9 54.4 45.4 7 21 A F H S+ 0 0 81 -4,-2.0 5,-2.1 1,-0.2 6,-0.5 0.950 112.3 43.5 -51.8 -50.3 68.0 71.1 50.8 19 33 A V H ><5S+ 0 0 13 -4,-2.1 3,-0.8 1,-0.2 -2,-0.2 0.840 110.7 56.4 -62.7 -36.5 66.8 72.9 47.7 20 34 A E H 3<5S+ 0 0 70 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.819 109.4 44.8 -63.3 -34.9 63.3 71.7 48.5 21 35 A X T 3<5S- 0 0 163 -4,-2.3 -1,-0.2 -3,-0.3 -2,-0.2 0.311 115.4-117.8 -94.7 5.8 63.4 73.3 52.0 22 36 A G T < 5S+ 0 0 63 -3,-0.8 -3,-0.2 -5,-0.2 -4,-0.1 0.559 78.8 122.8 75.5 12.8 64.9 76.4 50.5 23 37 A V S - 0 0 39 -2,-0.3 4,-1.6 1,-0.1 5,-0.2 -0.840 31.5-110.9-113.1 159.6 70.0 76.6 45.5 26 40 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 18,-0.3 0.838 116.8 52.7 -52.5 -28.8 70.7 73.9 42.9 27 41 A Q H > S+ 0 0 85 2,-0.2 4,-3.0 1,-0.2 5,-0.4 0.970 102.1 47.7 -75.9 -61.3 73.6 76.2 41.9 28 42 A D H > S+ 0 0 104 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.861 117.2 51.2 -52.5 -32.9 75.7 76.9 44.9 29 43 A I H X S+ 0 0 25 -4,-1.6 4,-2.5 2,-0.2 5,-0.3 0.992 110.5 44.2 -64.2 -64.2 75.4 73.2 45.5 30 44 A D H X S+ 0 0 14 -4,-2.4 4,-3.2 1,-0.2 5,-0.2 0.912 118.2 44.7 -49.1 -50.4 76.6 72.1 42.0 31 45 A T H X S+ 0 0 51 -4,-3.0 4,-3.7 1,-0.2 5,-0.4 0.924 112.1 49.1 -65.3 -46.0 79.4 74.6 42.0 32 46 A A H X S+ 0 0 61 -4,-2.0 4,-2.3 -5,-0.4 5,-0.5 0.879 116.0 45.9 -62.6 -35.5 80.7 74.0 45.5 33 47 A I H X S+ 0 0 26 -4,-2.5 4,-3.1 3,-0.2 5,-0.3 0.966 116.5 43.5 -67.0 -55.9 80.6 70.3 44.8 34 48 A K H <>S+ 0 0 60 -4,-3.2 5,-1.0 -5,-0.3 4,-0.3 0.911 124.7 35.6 -57.4 -45.1 82.3 70.6 41.4 35 49 A L H <5S+ 0 0 133 -4,-3.7 3,-0.4 -5,-0.2 -3,-0.2 0.978 126.3 36.6 -74.9 -57.9 84.9 73.1 42.7 36 50 A G H <5S+ 0 0 63 -4,-2.3 -3,-0.2 -5,-0.4 -2,-0.2 0.888 127.9 37.0 -61.2 -40.3 85.4 71.7 46.2 37 51 A L T <5S- 0 0 86 -4,-3.1 -1,-0.2 -5,-0.5 -3,-0.2 0.441 101.2-135.6 -96.4 -1.7 85.1 68.1 45.1 38 52 A N T 5 + 0 0 147 -3,-0.4 -3,-0.2 -4,-0.3 -4,-0.2 0.926 56.6 131.0 43.8 62.3 86.9 68.7 41.8 39 53 A R < - 0 0 84 -5,-1.0 -1,-0.2 -6,-0.2 3,-0.1 -0.834 62.9-117.8-133.3 173.4 84.4 66.7 39.7 40 54 A P S S+ 0 0 87 0, 0.0 2,-0.5 0, 0.0 -6,-0.1 0.815 90.9 40.5 -88.5 -32.8 82.6 67.4 36.4 41 55 A F S S- 0 0 90 -8,-0.1 -10,-0.0 -7,-0.1 0, 0.0 -0.978 70.6-142.8-126.3 125.6 78.9 67.3 37.3 42 56 A G > - 0 0 0 -2,-0.5 4,-3.1 -3,-0.1 3,-0.4 -0.330 45.0 -84.1 -74.6 165.4 77.2 68.6 40.4 43 57 A P H > S+ 0 0 2 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.759 127.8 44.9 -35.5 -43.6 74.4 66.7 42.2 44 58 A F H > S+ 0 0 7 -18,-0.3 4,-3.8 2,-0.3 5,-0.1 0.895 112.1 44.9 -83.1 -43.2 71.8 68.3 39.9 45 59 A E H > S+ 0 0 47 -3,-0.4 4,-4.2 2,-0.2 -1,-0.2 0.922 116.1 52.6 -63.9 -41.6 73.4 68.0 36.4 46 60 A L H X S+ 0 0 30 -4,-3.1 4,-3.1 2,-0.2 -2,-0.3 0.968 110.1 46.3 -50.7 -56.6 74.1 64.5 37.6 47 61 A A H X S+ 0 0 0 -4,-2.3 4,-3.3 -5,-0.3 -2,-0.2 0.932 113.3 48.9 -53.1 -49.1 70.5 64.2 38.5 48 62 A K H < S+ 0 0 169 -4,-3.8 -2,-0.2 1,-0.2 -1,-0.2 0.954 110.9 51.3 -57.1 -51.0 69.6 65.6 35.1 49 63 A Q H < S+ 0 0 116 -4,-4.2 -2,-0.2 1,-0.2 -1,-0.2 0.958 120.4 34.0 -42.8 -61.4 72.0 63.2 33.4 50 64 A F H < S- 0 0 60 -4,-3.1 4,-0.2 -5,-0.1 -2,-0.2 0.907 108.8-117.7 -68.1 -52.1 70.4 60.2 35.3 51 65 A G X - 0 0 12 -4,-3.3 4,-2.0 -5,-0.2 5,-0.2 0.128 9.2-112.9 113.0 132.0 66.7 61.1 35.5 52 66 A A H > S+ 0 0 3 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.925 116.2 59.3 -56.0 -46.5 64.3 61.7 38.4 53 67 A E H > S+ 0 0 140 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.905 108.8 41.1 -46.3 -54.2 62.5 58.5 37.4 54 68 A Q H > S+ 0 0 96 -4,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.937 112.6 50.7 -67.9 -49.0 65.5 56.2 37.8 55 69 A I H X S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.2 -1,-0.2 0.887 112.0 48.1 -61.3 -40.9 67.0 57.6 41.0 56 70 A A H X S+ 0 0 6 -4,-2.1 4,-3.7 2,-0.2 5,-0.2 0.980 106.7 53.1 -61.7 -61.1 63.7 57.4 42.9 57 71 A K H X S+ 0 0 137 -4,-1.8 4,-1.8 -5,-0.3 -1,-0.2 0.868 116.5 44.0 -41.1 -40.4 62.8 53.9 41.9 58 72 A R H X S+ 0 0 43 -4,-1.8 4,-1.7 2,-0.2 -1,-0.3 0.915 110.3 51.3 -75.0 -47.5 66.2 53.1 43.3 59 73 A L H X S+ 0 0 0 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.877 106.9 57.9 -57.3 -40.0 66.0 55.2 46.4 60 74 A E H >X S+ 0 0 47 -4,-3.7 4,-2.0 2,-0.2 3,-1.1 0.990 101.4 53.8 -49.5 -66.1 62.7 53.5 47.1 61 75 A E H 3X S+ 0 0 89 -4,-1.8 4,-2.0 1,-0.3 -1,-0.2 0.843 111.2 46.3 -35.1 -51.1 64.4 50.1 47.1 62 76 A L H 3X>S+ 0 0 3 -4,-1.7 4,-2.9 2,-0.2 5,-0.5 0.819 105.0 59.3 -66.8 -35.5 66.9 51.4 49.7 63 77 A A H > - 0 0 131 -6,-0.2 3,-1.1 1,-0.1 4,-0.6 -0.811 62.2-122.7-100.0 151.6 66.2 55.6 57.5 69 83 A K G >4 S+ 0 0 174 -2,-0.3 3,-1.1 1,-0.2 -1,-0.1 0.856 106.5 66.2 -60.5 -34.9 64.9 59.0 56.5 70 84 A I G 34 S+ 0 0 69 1,-0.3 -1,-0.2 -7,-0.0 -7,-0.1 0.750 99.3 49.9 -61.3 -28.9 67.9 59.7 54.4 71 85 A F G <4 S+ 0 0 43 -3,-1.1 -8,-0.4 -9,-0.1 -1,-0.3 0.617 82.8 106.2 -88.8 -17.4 67.2 57.0 51.8 72 86 A E S << S- 0 0 90 -3,-1.1 2,-0.2 -4,-0.6 -12,-0.1 -0.482 80.6-106.1 -70.9 134.6 63.6 58.0 51.2 73 87 A P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.414 29.0-115.7 -68.1 126.5 63.2 59.7 47.8 74 88 A A > - 0 0 4 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.197 21.1-126.4 -48.1 143.7 62.6 63.4 47.6 75 89 A K H > S+ 0 0 129 2,-0.2 4,-1.4 1,-0.2 6,-0.4 0.915 108.7 67.1 -67.0 -41.7 59.2 64.3 46.2 76 90 A T H 4>S+ 0 0 12 2,-0.2 5,-0.7 1,-0.2 6,-0.3 0.923 114.5 33.0 -35.8 -51.6 60.8 66.6 43.6 77 91 A L H >45S+ 0 0 1 1,-0.2 3,-4.8 2,-0.2 -2,-0.2 0.995 109.8 58.4 -71.3 -69.0 62.2 63.3 42.2 78 92 A K H 3<5S+ 0 0 90 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.573 118.4 39.1 -44.6 -9.0 59.5 60.7 42.9 79 93 A E T 3<5S- 0 0 127 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.063 105.0-127.3-133.4 21.6 57.3 63.0 40.8 80 94 A G T X 5 + 0 0 32 -3,-4.8 3,-0.7 1,-0.2 2,-0.3 0.406 69.0 129.7 56.1 -0.2 59.7 64.0 38.1 81 95 A K T 3>< + 0 0 91 -5,-0.7 4,-0.9 -6,-0.4 3,-0.3 0.121 32.0 121.7 -71.6 26.0 59.0 67.8 38.7 82 96 A L H >> + 0 0 16 -2,-0.3 4,-1.5 -6,-0.3 3,-0.5 0.875 64.5 54.5 -56.3 -41.3 62.8 68.1 38.9 83 97 A E H <> S+ 0 0 154 -3,-0.7 4,-1.3 1,-0.3 -1,-0.2 0.863 104.3 50.7 -73.2 -38.1 63.1 70.6 36.0 84 98 A E H 3> S+ 0 0 109 -3,-0.3 4,-1.0 1,-0.2 -1,-0.3 0.755 106.3 61.6 -67.4 -22.3 60.7 73.1 37.3 85 99 A L H S+ 0 0 140 -4,-1.3 4,-4.9 3,-0.2 5,-0.6 0.879 96.8 59.6 -44.4 -47.1 63.7 77.0 37.9 88 102 A A H X5S+ 0 0 57 -4,-1.0 4,-1.1 -3,-0.5 -1,-0.2 0.946 117.9 24.0 -50.5 -66.3 63.1 78.0 41.6 89 103 A G H <5S+ 0 0 31 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.778 133.2 43.9 -73.5 -27.0 66.7 78.6 42.8 90 104 A K H <5S+ 0 0 130 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.890 115.5 44.1 -84.1 -47.3 67.8 79.4 39.2 91 105 A A H <5 0 0 57 -4,-4.9 -3,-0.2 -5,-0.4 -2,-0.1 0.994 360.0 360.0 -64.3 -65.6 64.9 81.6 38.0 92 106 A E << 0 0 217 -4,-1.1 -1,-0.2 -5,-0.6 -2,-0.1 -0.951 360.0 360.0-146.1 360.0 64.4 83.9 41.1