==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 29-JUN-05 2A4K . COMPND 2 MOLECULE: 3-OXOACYL-[ACYL CARRIER PROTEIN] REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR W.ZHOU,A.EBIHARA,W.TEMPEL,S.YOKOYAMA,L.CHEN,S.KURAMITSU,J.NG . 439 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18802.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 338 77.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 67 15.3 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 . 35 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 160 36.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 0 0 0 0 0 4 0 0 4 2 0 2 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 5 5 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 2 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 2 A G > 0 0 74 0, 0.0 3,-1.5 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 170.1 22.9 27.6 29.9 2 3 A R T 3 + 0 0 54 1,-0.3 217,-0.5 216,-0.1 218,-0.2 0.673 360.0 31.3 -69.3 -19.8 25.8 27.1 32.4 3 4 A L T > S+ 0 0 0 25,-2.2 3,-1.8 22,-0.2 -1,-0.3 0.035 86.2 152.9-119.8 24.5 23.3 26.5 35.3 4 5 A S T < + 0 0 66 -3,-1.5 26,-0.2 1,-0.3 25,-0.1 -0.249 70.0 12.5 -59.3 140.9 20.4 25.0 33.3 5 6 A G T 3 S+ 0 0 73 24,-0.7 2,-0.4 1,-0.2 -1,-0.3 0.509 103.9 118.5 71.1 6.1 18.2 22.7 35.3 6 7 A K < - 0 0 21 -3,-1.8 25,-2.4 23,-0.1 2,-0.5 -0.834 54.5-147.7-107.2 141.8 19.7 23.9 38.6 7 8 A T E -a 31 0A 9 -2,-0.4 74,-2.4 23,-0.2 75,-1.6 -0.953 19.2-168.7-104.5 129.3 18.1 25.6 41.5 8 9 A I E -ab 32 82A 0 23,-2.6 25,-1.9 -2,-0.5 2,-0.5 -0.961 14.4-150.1-122.4 130.3 20.3 28.1 43.4 9 10 A L E -ab 33 83A 0 73,-2.6 75,-2.7 -2,-0.4 2,-0.5 -0.880 17.5-167.6 -96.8 130.5 19.6 29.8 46.8 10 11 A V E -ab 34 84A 0 23,-2.3 25,-2.9 -2,-0.5 3,-0.5 -0.969 5.2-162.8-124.7 114.5 21.3 33.3 47.0 11 12 A T E S+ b 0 85A 1 73,-1.8 75,-1.1 -2,-0.5 25,-0.2 -0.589 80.3 31.6 -90.3 162.2 21.6 35.2 50.3 12 13 A G S > S+ 0 0 7 23,-0.5 3,-0.8 74,-0.2 6,-0.4 0.842 78.5 155.7 56.6 35.4 22.4 38.9 50.3 13 14 A A T 3 + 0 0 0 22,-2.4 9,-0.2 -3,-0.5 23,-0.2 0.596 63.5 52.3 -71.2 -17.4 20.4 38.9 47.0 14 15 A A T 3 S+ 0 0 18 21,-0.2 -1,-0.2 4,-0.1 22,-0.1 0.645 92.8 93.2 -90.1 -17.9 19.4 42.6 47.1 15 16 A S S <> S- 0 0 49 -3,-0.8 4,-2.7 1,-0.1 5,-0.2 -0.089 94.2 -97.2 -65.2 171.4 23.1 43.8 47.6 16 17 A G H > S+ 0 0 24 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.959 123.3 34.0 -54.7 -60.6 25.3 44.9 44.7 17 18 A I H > S+ 0 0 17 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.921 119.3 52.2 -63.1 -47.6 27.2 41.6 44.4 18 19 A G H > S+ 0 0 0 -6,-0.4 4,-2.2 1,-0.2 -2,-0.2 0.896 111.4 47.2 -55.1 -44.4 24.1 39.5 45.3 19 20 A R H X S+ 0 0 130 -4,-2.7 4,-2.0 -7,-0.2 -1,-0.2 0.857 109.1 52.4 -68.7 -40.0 22.0 41.3 42.7 20 21 A A H X S+ 0 0 13 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.831 110.4 51.3 -62.5 -32.1 24.6 40.9 39.9 21 22 A A H X S+ 0 0 0 -4,-1.9 4,-3.3 2,-0.2 5,-0.3 0.939 106.4 52.4 -71.6 -44.5 24.6 37.2 40.8 22 23 A L H X S+ 0 0 1 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.915 113.0 45.7 -50.0 -47.7 20.8 36.9 40.5 23 24 A D H X S+ 0 0 74 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.899 115.9 44.7 -66.7 -44.7 20.9 38.5 37.1 24 25 A L H X S+ 0 0 4 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.912 114.3 47.4 -67.0 -46.7 23.8 36.3 35.9 25 26 A F H <>S+ 0 0 0 -4,-3.3 5,-2.2 2,-0.2 -2,-0.2 0.889 112.6 50.7 -63.8 -40.7 22.5 33.0 37.2 26 27 A A H ><5S+ 0 0 20 -4,-2.1 3,-1.9 -5,-0.3 -2,-0.2 0.939 107.9 52.1 -59.0 -49.2 19.0 33.8 35.7 27 28 A R H 3<5S+ 0 0 158 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.772 108.2 54.6 -58.1 -26.1 20.7 34.5 32.3 28 29 A E T 3<5S- 0 0 40 -4,-1.2 -25,-2.2 -3,-0.1 -1,-0.3 0.234 125.0 -98.5 -96.0 10.6 22.4 31.1 32.6 29 30 A G T < 5S+ 0 0 40 -3,-1.9 -24,-0.7 1,-0.3 -3,-0.2 0.419 72.6 142.7 97.3 -0.8 19.2 29.1 33.1 30 31 A A < - 0 0 4 -5,-2.2 2,-0.3 -26,-0.2 -1,-0.3 -0.377 45.7-135.4 -70.0 148.1 19.1 28.7 36.9 31 32 A S E -a 7 0A 12 -25,-2.4 -23,-2.6 -28,-0.2 2,-0.4 -0.831 34.0-143.8 -99.0 148.7 15.8 28.9 39.0 32 33 A L E -ac 8 53A 0 20,-2.5 22,-2.1 -2,-0.3 2,-0.6 -0.913 33.6-165.1-134.0 139.9 16.3 31.0 42.1 33 34 A V E -ac 9 54A 0 -25,-1.9 -23,-2.3 -2,-0.4 2,-0.6 -0.968 30.4-159.2-111.5 103.2 15.3 31.5 45.7 34 35 A A E -ac 10 55A 0 20,-2.8 22,-2.7 -2,-0.6 2,-0.4 -0.809 10.5-171.7 -95.7 119.9 16.4 35.1 46.4 35 36 A V E + c 0 56A 0 -25,-2.9 -22,-2.4 -2,-0.6 -23,-0.5 -0.927 18.1 134.3-119.3 133.0 17.0 35.9 50.1 36 37 A D E - c 0 57A 12 20,-1.3 22,-1.7 -2,-0.4 6,-0.0 -0.969 51.0-123.3-164.4 163.6 17.6 39.2 51.9 37 38 A R S S+ 0 0 76 -2,-0.3 2,-0.8 20,-0.2 22,-0.1 0.828 91.3 78.8 -81.3 -38.3 16.6 41.3 54.9 38 39 A E > - 0 0 84 1,-0.2 4,-1.6 20,-0.1 5,-0.1 -0.683 63.2-167.8 -81.3 108.5 15.5 44.5 53.0 39 40 A E H > S+ 0 0 139 -2,-0.8 4,-2.7 2,-0.2 5,-0.2 0.905 81.0 45.8 -62.8 -52.1 12.0 43.7 51.6 40 41 A R H > S+ 0 0 83 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.851 115.0 48.3 -66.7 -36.7 11.5 46.6 49.1 41 42 A L H > S+ 0 0 110 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.840 115.2 45.3 -68.8 -36.1 15.0 46.2 47.7 42 43 A L H X S+ 0 0 2 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.839 110.0 53.6 -75.3 -37.8 14.4 42.4 47.3 43 44 A A H X S+ 0 0 57 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.900 113.0 43.7 -64.0 -42.1 10.9 42.8 45.8 44 45 A E H X S+ 0 0 61 -4,-1.6 4,-1.4 -5,-0.2 -2,-0.2 0.914 112.0 52.9 -68.9 -46.0 12.2 45.1 43.1 45 46 A A H < S+ 0 0 4 -4,-1.6 4,-0.4 1,-0.2 -2,-0.2 0.884 113.8 42.4 -55.0 -46.2 15.3 43.1 42.3 46 47 A V H >< S+ 0 0 22 -4,-2.1 3,-1.2 1,-0.2 5,-0.3 0.859 106.8 60.6 -73.2 -37.7 13.3 39.9 41.8 47 48 A A H 3< S+ 0 0 81 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.837 101.1 55.8 -58.8 -36.8 10.5 41.5 39.8 48 49 A A T 3< S+ 0 0 73 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.634 88.9 95.8 -71.9 -18.5 13.0 42.6 37.1 49 50 A L < - 0 0 26 -3,-1.2 4,-0.1 -4,-0.4 -26,-0.1 -0.446 64.1-151.0 -74.1 148.2 14.3 39.0 36.5 50 51 A E + 0 0 203 -2,-0.1 2,-0.3 -27,-0.1 -1,-0.1 -0.291 66.3 94.4-110.0 45.4 12.8 36.9 33.7 51 52 A A S S- 0 0 34 -5,-0.3 2,-0.7 -19,-0.0 -20,-0.1 -0.795 91.0 -83.4-129.4 166.5 13.4 33.6 35.5 52 53 A E S S+ 0 0 137 -2,-0.3 -20,-2.5 -22,-0.2 2,-0.3 -0.700 72.1 150.6 -67.9 113.6 11.6 31.2 37.7 53 54 A A E -c 32 0A 31 -2,-0.7 2,-0.3 -22,-0.2 -20,-0.2 -0.991 37.9-161.9-155.6 139.4 12.2 32.9 41.1 54 55 A I E -c 33 0A 40 -22,-2.1 -20,-2.8 -2,-0.3 2,-0.4 -0.918 18.4-141.2-115.2 150.6 10.7 33.4 44.5 55 56 A A E -c 34 0A 50 -2,-0.3 2,-0.4 -22,-0.2 -20,-0.2 -0.936 16.1-171.3-110.6 132.0 11.7 36.2 47.0 56 57 A V E -c 35 0A 15 -22,-2.7 -20,-1.3 -2,-0.4 2,-0.6 -0.963 15.7-146.6-130.8 116.9 12.0 35.5 50.7 57 58 A V E +c 36 0A 75 -2,-0.4 2,-0.3 -22,-0.2 -20,-0.2 -0.703 43.4 140.1 -77.6 117.8 12.4 38.2 53.4 58 59 A A - 0 0 16 -22,-1.7 2,-0.7 -2,-0.6 -20,-0.1 -0.985 53.7-127.1-160.1 151.4 14.6 36.6 56.2 59 60 A D > - 0 0 63 -2,-0.3 3,-1.9 1,-0.1 6,-0.3 -0.930 20.3-157.9-101.1 109.0 17.5 37.4 58.6 60 61 A V T 3 S+ 0 0 8 -2,-0.7 53,-0.2 1,-0.3 54,-0.2 0.468 88.3 67.6 -74.9 0.4 20.1 34.6 58.1 61 62 A S T 3 S+ 0 0 29 52,-0.1 -1,-0.3 51,-0.1 3,-0.1 0.559 85.2 85.7 -85.6 -9.3 21.6 35.1 61.5 62 63 A D S X> S- 0 0 73 -3,-1.9 4,-2.1 1,-0.1 3,-0.5 -0.832 72.6-152.2 -92.5 113.6 18.2 33.8 62.9 63 64 A P H 3> S+ 0 0 73 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.775 96.2 49.7 -55.2 -31.9 18.3 29.9 63.1 64 65 A K H 3> S+ 0 0 172 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.798 108.0 52.1 -79.5 -32.5 14.5 29.7 62.6 65 66 A A H <> S+ 0 0 19 -3,-0.5 4,-2.7 -6,-0.3 -1,-0.2 0.892 110.0 50.8 -63.9 -42.3 14.5 32.0 59.6 66 67 A V H X S+ 0 0 2 -4,-2.1 4,-2.1 -7,-0.3 5,-0.2 0.917 109.8 48.4 -61.2 -49.1 17.2 29.8 58.0 67 68 A E H X S+ 0 0 106 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.925 114.9 47.2 -56.6 -45.2 15.2 26.6 58.6 68 69 A A H X S+ 0 0 45 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.906 109.5 50.9 -65.5 -45.6 12.1 28.3 57.1 69 70 A V H X S+ 0 0 1 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.893 113.3 45.8 -63.5 -39.1 13.9 29.7 54.0 70 71 A F H X S+ 0 0 2 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.860 112.2 51.5 -68.6 -35.2 15.4 26.3 53.1 71 72 A A H X S+ 0 0 44 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.907 110.4 49.1 -66.5 -42.8 12.0 24.6 53.7 72 73 A E H X S+ 0 0 83 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.884 108.1 54.5 -60.4 -43.7 10.3 27.1 51.4 73 74 A A H X S+ 0 0 2 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.883 111.5 43.8 -58.3 -44.2 13.0 26.5 48.7 74 75 A L H X S+ 0 0 62 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.874 111.7 52.7 -70.1 -38.8 12.3 22.7 48.7 75 76 A E H < S+ 0 0 163 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.873 116.3 41.3 -64.4 -37.9 8.5 23.1 48.8 76 77 A E H < S+ 0 0 105 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.935 133.2 16.8 -71.9 -50.5 8.8 25.4 45.7 77 78 A F H < S- 0 0 37 -4,-2.3 2,-1.4 -5,-0.2 -3,-0.2 0.431 85.7-132.4-113.7 -2.9 11.4 23.6 43.7 78 79 A G S < S+ 0 0 63 -4,-2.6 2,-0.3 -5,-0.2 -4,-0.1 -0.231 81.5 28.4 84.0 -50.3 11.7 20.0 45.0 79 80 A R - 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