==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-JUN-00 1E3S . COMPND 2 MOLECULE: SHORT CHAIN 3-HYDROXYACYL-COA DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR A.J.POWELL,J.A.READ,M.J.BANFIELD,R.L.BRADY . 964 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32441.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 687 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 144 14.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 55 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 93 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 323 33.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.1 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 2 0 0 4 0 0 0 4 4 4 1 7 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 12 8 4 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 4 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 . 4 0 0 0 0 4 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 7 A S 0 0 110 0, 0.0 27,-0.1 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 133.8 45.7 19.6 20.8 2 8 A V > + 0 0 3 25,-0.3 3,-2.1 22,-0.1 25,-0.0 0.250 360.0 143.8-110.8 5.4 44.7 16.5 22.8 3 9 A K T 3 S+ 0 0 162 1,-0.3 26,-0.2 26,-0.1 25,-0.2 -0.316 73.4 3.9 -54.0 126.0 46.8 14.2 20.6 4 10 A G T 3 S+ 0 0 40 24,-2.3 -1,-0.3 1,-0.3 25,-0.2 0.256 94.0 134.5 80.2 -7.8 48.3 11.4 22.6 5 11 A L < - 0 0 46 -3,-2.1 25,-2.6 19,-0.1 2,-0.6 -0.402 52.2-131.3 -71.9 151.8 46.6 12.3 26.0 6 12 A V E -a 30 0A 4 23,-0.2 74,-2.4 -3,-0.1 75,-2.1 -0.908 26.1-171.9-107.1 121.2 45.0 9.4 28.0 7 13 A A E -ab 31 81A 3 23,-2.7 25,-2.7 -2,-0.6 2,-0.6 -0.906 18.0-157.5-117.4 135.1 41.4 9.9 29.2 8 14 A V E -ab 32 82A 2 73,-2.6 75,-2.7 -2,-0.4 2,-0.6 -0.909 17.6-167.9-104.3 122.1 39.2 7.9 31.5 9 15 A I E > -ab 33 83A 0 23,-2.7 25,-2.4 -2,-0.6 3,-1.0 -0.929 8.4-152.1-116.6 109.2 35.4 8.7 30.9 10 16 A T E 3 S+ab 34 84A 1 73,-2.5 75,-0.6 -2,-0.6 25,-0.2 -0.507 87.2 23.9 -77.2 147.6 32.8 7.5 33.4 11 17 A G T > S+ 0 0 12 23,-1.9 3,-1.2 74,-0.2 6,-0.5 0.718 84.5 147.3 65.7 29.9 29.3 6.9 31.9 12 18 A G T < + 0 0 0 22,-1.0 23,-0.1 -3,-1.0 9,-0.1 0.567 48.2 73.8 -78.4 -5.2 31.2 6.4 28.6 13 19 A A T 3 S+ 0 0 7 21,-0.2 2,-0.3 5,-0.0 -1,-0.3 0.623 105.3 19.5 -82.6 -11.4 28.9 3.7 27.0 14 20 A S S X> S- 0 0 55 -3,-1.2 4,-1.8 25,-0.0 3,-0.8 -0.951 103.5 -13.5-150.8 167.2 26.1 6.2 26.2 15 21 A G H 3> S+ 0 0 16 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 -0.006 118.4 3.1 42.5-126.1 25.0 9.9 25.7 16 22 A L H 3> S+ 0 0 30 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.876 134.0 49.4 -62.8 -39.3 27.4 12.7 26.8 17 23 A G H <> S+ 0 0 1 -3,-0.8 4,-1.9 -6,-0.5 -5,-0.2 0.893 112.5 48.3 -68.2 -38.6 30.3 10.4 27.9 18 24 A L H X S+ 0 0 19 -4,-1.8 4,-2.4 -7,-0.4 -2,-0.2 0.910 110.7 49.6 -64.5 -44.6 30.1 8.4 24.6 19 25 A S H X S+ 0 0 22 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.887 109.4 54.0 -62.2 -32.1 30.1 11.5 22.4 20 26 A T H X S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.2 5,-0.2 0.931 108.2 48.6 -66.1 -44.6 33.1 12.8 24.4 21 27 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 5,-0.3 0.925 108.6 54.1 -61.4 -45.2 35.0 9.6 23.7 22 28 A K H X S+ 0 0 97 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.939 111.8 44.6 -57.2 -45.4 34.2 9.8 19.9 23 29 A R H X S+ 0 0 88 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.938 114.7 46.1 -66.2 -50.5 35.6 13.3 19.6 24 30 A L H ><>S+ 0 0 4 -4,-2.4 5,-2.6 2,-0.2 3,-0.5 0.937 114.1 47.4 -60.8 -43.6 38.8 12.8 21.6 25 31 A V H ><5S+ 0 0 23 -4,-2.5 3,-2.2 1,-0.2 -2,-0.2 0.961 109.1 56.5 -65.5 -36.5 39.6 9.5 19.9 26 32 A G H 3<5S+ 0 0 63 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.807 106.6 50.1 -60.6 -30.3 38.9 11.3 16.5 27 33 A Q T <<5S- 0 0 99 -4,-1.5 -1,-0.3 -3,-0.5 -25,-0.3 0.190 130.8 -90.7 -93.8 13.3 41.5 14.0 17.5 28 34 A G T < 5S+ 0 0 33 -3,-2.2 -24,-2.3 1,-0.3 -3,-0.2 0.587 83.2 128.9 93.4 6.8 44.2 11.4 18.4 29 35 A A < - 0 0 2 -5,-2.6 2,-0.4 -26,-0.2 -1,-0.3 -0.472 55.4-121.6 -90.9 170.5 43.7 10.7 22.1 30 36 A T E -a 6 0A 19 -25,-2.6 -23,-2.7 -2,-0.1 2,-0.4 -0.865 29.4-162.4-107.8 143.1 43.3 7.4 23.8 31 37 A A E -ac 7 52A 1 20,-2.4 22,-1.8 -2,-0.4 2,-0.5 -0.982 16.6-161.5-129.7 141.3 40.0 6.7 25.8 32 38 A V E -ac 8 53A 0 -25,-2.7 -23,-2.7 -2,-0.4 2,-0.7 -0.971 18.2-146.3-114.3 120.0 38.9 4.2 28.5 33 39 A L E -ac 9 54A 0 20,-2.8 22,-2.7 -2,-0.5 2,-0.6 -0.779 11.4-165.2 -88.8 114.9 35.1 3.8 28.9 34 40 A L E +ac 10 55A 1 -25,-2.4 -23,-1.9 -2,-0.7 -22,-1.0 -0.908 33.3 126.6-102.4 116.0 34.2 3.2 32.5 35 41 A D E - c 0 56A 30 20,-0.9 22,-2.5 -2,-0.6 -25,-0.0 -0.923 59.6 -69.1-160.9 166.7 30.5 1.9 32.8 36 42 A V > - 0 0 55 -2,-0.3 3,-2.0 20,-0.2 5,-0.4 -0.415 43.6-112.7 -68.7 157.3 28.5 -1.0 34.2 37 43 A P T 3 S+ 0 0 85 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 0.852 113.3 57.5 -57.0 -36.2 28.7 -4.5 32.9 38 44 A N T 3 S+ 0 0 155 2,-0.1 2,-0.1 3,-0.1 -2,-0.0 0.413 91.6 93.0 -77.9 2.0 25.1 -4.5 31.5 39 45 A S S < S- 0 0 31 -3,-2.0 3,-0.4 1,-0.1 -4,-0.1 -0.373 91.9-104.5 -85.0-178.6 25.8 -1.5 29.3 40 46 A E S > S+ 0 0 118 1,-0.2 4,-2.1 -27,-0.1 5,-0.2 0.029 78.4 124.0 -89.4 20.3 26.9 -1.4 25.7 41 47 A G H > + 0 0 0 -5,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.844 66.8 52.2 -48.8 -51.9 30.5 -0.5 26.7 42 48 A E H > S+ 0 0 131 -3,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.941 111.4 43.9 -62.2 -43.7 32.2 -3.4 24.9 43 49 A T H > S+ 0 0 70 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.884 113.0 51.6 -75.9 -28.0 30.7 -2.9 21.5 44 50 A E H X S+ 0 0 29 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.868 109.7 50.6 -67.4 -38.0 31.1 0.9 21.5 45 51 A A H < S+ 0 0 4 -4,-2.1 4,-0.5 -5,-0.2 7,-0.3 0.823 110.7 49.2 -66.4 -34.0 34.8 0.5 22.4 46 52 A K H >< S+ 0 0 175 -4,-1.6 3,-1.1 2,-0.2 -2,-0.2 0.924 108.8 52.3 -71.8 -43.2 35.3 -2.0 19.5 47 53 A K H 3< S+ 0 0 147 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.841 107.1 54.0 -60.0 -34.9 33.6 0.3 17.0 48 54 A L T 3< S- 0 0 42 -4,-1.5 3,-0.3 1,-0.2 -1,-0.3 0.601 110.0-129.8 -77.9 -11.8 35.9 3.1 18.1 49 55 A G X - 0 0 35 -3,-1.1 3,-1.3 -4,-0.5 -1,-0.2 -0.453 41.9 -34.7 105.6-170.7 39.1 1.1 17.4 50 56 A G T 3 S+ 0 0 67 1,-0.3 -1,-0.2 -2,-0.1 -4,-0.1 0.628 125.8 62.8 -71.6 -13.3 42.3 0.1 19.1 51 57 A N T 3 S+ 0 0 86 -3,-0.3 -20,-2.4 1,-0.1 2,-0.4 0.233 98.2 65.9 -96.7 18.8 42.7 3.4 20.9 52 58 A C E < +c 31 0A 5 -3,-1.3 2,-0.3 -7,-0.3 -20,-0.2 -0.960 61.8 175.5-138.8 117.3 39.5 2.8 22.9 53 59 A I E -c 32 0A 28 -22,-1.8 -20,-2.8 -2,-0.4 2,-0.4 -0.840 24.3-126.4-119.0 157.5 38.9 0.1 25.5 54 60 A F E -c 33 0A 30 -2,-0.3 -20,-0.2 -22,-0.2 -12,-0.1 -0.886 18.4-175.7-102.2 133.0 36.1 -0.8 27.9 55 61 A A E -c 34 0A 2 -22,-2.7 -20,-0.9 -2,-0.4 2,-0.3 -0.916 20.8-140.6-128.1 104.0 36.6 -1.3 31.7 56 62 A P E +c 35 0A 73 0, 0.0 2,-0.3 0, 0.0 -20,-0.2 -0.441 41.3 138.4 -66.3 126.7 33.5 -2.5 33.6 57 63 A A - 0 0 2 -22,-2.5 2,-0.5 -2,-0.3 -2,-0.1 -0.956 49.2-130.2-169.0 139.9 33.0 -0.8 37.0 58 64 A N > - 0 0 60 -2,-0.3 3,-1.8 1,-0.1 7,-0.3 -0.920 24.8-138.0 -90.9 126.4 30.3 0.7 39.2 59 65 A V T 3 S+ 0 0 11 -2,-0.5 62,-0.1 1,-0.3 63,-0.1 0.635 99.5 63.1 -62.9 -15.9 31.5 4.2 40.4 60 66 A T T 3 S+ 0 0 56 61,-0.1 2,-0.6 1,-0.0 -1,-0.3 0.622 88.0 86.1 -82.6 -8.1 30.2 3.6 44.0 61 67 A S <> - 0 0 30 -3,-1.8 4,-2.0 1,-0.2 5,-0.3 -0.777 60.6-161.3 -97.1 122.2 32.7 0.7 44.4 62 68 A E H > S+ 0 0 77 -2,-0.6 4,-2.2 1,-0.2 5,-0.2 0.914 92.6 48.8 -59.3 -47.6 36.2 1.5 45.6 63 69 A K H > S+ 0 0 163 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.893 111.8 45.6 -63.4 -45.1 37.6 -1.8 44.4 64 70 A E H > S+ 0 0 89 2,-0.2 4,-1.8 -6,-0.2 -1,-0.2 0.854 113.9 49.0 -71.8 -34.7 36.1 -1.8 40.9 65 71 A V H X S+ 0 0 0 -4,-2.0 4,-2.1 -7,-0.3 5,-0.2 0.912 110.9 51.0 -69.2 -45.5 37.2 1.9 40.3 66 72 A Q H X S+ 0 0 81 -4,-2.2 4,-1.9 -5,-0.3 -2,-0.2 0.892 110.3 49.3 -52.8 -45.0 40.7 1.1 41.5 67 73 A A H X S+ 0 0 61 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.852 109.2 52.4 -65.2 -40.4 40.9 -1.9 39.1 68 74 A A H X S+ 0 0 4 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.887 110.9 46.7 -62.6 -40.7 39.7 0.2 36.1 69 75 A L H X S+ 0 0 2 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.836 110.4 52.9 -68.9 -38.4 42.4 2.8 36.8 70 76 A T H X S+ 0 0 69 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.914 108.9 50.5 -60.1 -45.0 45.1 0.1 37.2 71 77 A L H X S+ 0 0 73 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.928 109.7 50.3 -58.5 -44.0 44.0 -1.3 33.8 72 78 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 6,-0.4 0.924 113.3 44.7 -60.9 -44.8 44.2 2.1 32.1 73 79 A K H X S+ 0 0 80 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.875 114.3 50.2 -69.6 -37.9 47.7 2.8 33.5 74 80 A E H < S+ 0 0 125 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.928 117.9 38.1 -60.6 -53.5 48.9 -0.7 32.6 75 81 A K H < S+ 0 0 122 -4,-2.8 -2,-0.2 -5,-0.1 -3,-0.2 0.808 132.9 21.9 -68.9 -45.3 47.6 -0.5 29.0 76 82 A F H < S- 0 0 46 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.482 97.2-121.9-110.3 -2.6 48.4 3.1 28.1 77 83 A G S < S+ 0 0 55 -4,-1.7 2,-0.3 -5,-0.3 -4,-0.2 0.158 79.3 14.1 86.9 -21.1 51.2 4.0 30.6 78 84 A R - 0 0 95 -6,-0.4 2,-0.4 55,-0.0 -2,-0.1 -0.956 66.5-119.9-167.6 175.9 49.6 7.0 32.4 79 85 A I + 0 0 0 -2,-0.3 -72,-0.2 50,-0.2 54,-0.2 -0.986 29.2 164.9-132.6 123.2 46.3 8.9 33.0 80 86 A D + 0 0 20 -74,-2.4 63,-1.4 -2,-0.4 2,-0.3 0.673 63.4 28.9-108.2 -28.9 46.1 12.6 31.9 81 87 A V E -bd 7 143A 3 -75,-2.1 -73,-2.6 61,-0.2 2,-0.4 -0.998 55.1-167.6-138.3 139.0 42.4 13.4 31.9 82 88 A A E -bd 8 144A 2 61,-1.9 63,-2.6 -2,-0.3 2,-0.5 -1.000 4.8-169.6-126.9 133.2 39.3 12.2 33.8 83 89 A V E -bd 9 145A 1 -75,-2.7 -73,-2.5 -2,-0.4 2,-0.8 -0.975 11.1-151.1-123.0 116.8 35.7 13.1 32.8 84 90 A N E +bd 10 146A 3 61,-2.7 63,-0.6 -2,-0.5 -73,-0.1 -0.793 40.3 138.4 -92.5 106.8 32.7 12.2 35.2 85 91 A C + 0 0 27 -2,-0.8 -74,-0.2 -75,-0.6 -1,-0.2 0.505 31.4 117.4-120.8 -8.9 29.5 11.6 33.2 86 92 A A + 0 0 22 -52,-0.1 2,-0.3 32,-0.1 61,-0.1 -0.326 42.4 132.0 -61.8 130.2 28.1 8.6 35.1 87 93 A G - 0 0 43 -2,-0.1 2,-0.3 31,-0.0 24,-0.0 -0.986 38.5-151.5-174.0 159.0 24.7 9.5 36.6 88 94 A I - 0 0 57 -2,-0.3 2,-0.3 23,-0.2 27,-0.1 -0.889 12.9-152.4-132.4 166.5 21.0 8.7 37.2 89 95 A A - 0 0 69 -2,-0.3 2,-0.3 2,-0.0 70,-0.1 -0.985 7.9-172.3-142.3 156.6 17.8 10.7 37.7 90 96 A V - 0 0 30 -2,-0.3 2,-0.5 68,-0.1 72,-0.3 -0.934 17.8-144.4-139.5 159.4 14.4 10.4 39.4 91 97 A A + 0 0 93 -2,-0.3 2,-0.3 70,-0.1 68,-0.2 -0.889 44.4 138.2-127.8 90.1 11.2 12.5 39.4 92 98 A I - 0 0 49 66,-2.0 68,-0.4 -2,-0.5 69,-0.3 -0.976 46.1-128.6-138.0 125.0 9.6 12.3 42.9 93 99 A K - 0 0 73 -2,-0.3 3,-0.3 1,-0.1 10,-0.1 -0.422 21.3-122.5 -71.8 154.2 8.0 15.2 45.0 94 100 A T S S+ 0 0 0 1,-0.3 9,-2.0 324,-0.2 2,-0.3 0.895 104.0 5.2 -60.0 -42.0 9.1 15.7 48.6 95 101 A Y E S-G 102 0B 61 7,-0.2 2,-0.7 275,-0.1 -1,-0.3 -0.967 79.8-150.0-147.4 120.5 5.5 15.3 49.6 96 102 A H E >> -G 101 0B 69 5,-2.4 5,-1.7 -2,-0.3 4,-0.7 -0.826 4.1-162.1-103.9 115.4 2.8 14.3 47.1 97 103 A E T >45S+ 0 0 50 -2,-0.7 3,-2.9 1,-0.2 -1,-0.2 0.906 80.5 45.7 -48.6 -86.9 -0.8 15.4 47.5 98 104 A K T 345S+ 0 0 84 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.725 125.9 32.9 -36.0 -40.1 -3.2 13.3 45.3 99 105 A K T 345S- 0 0 53 -3,-0.4 -1,-0.3 2,-0.1 -2,-0.2 0.394 99.2-132.2 -99.6 -3.8 -1.5 10.0 46.4 100 106 A N T <<5 + 0 0 72 -3,-2.9 2,-0.5 -4,-0.7 -3,-0.2 0.922 54.0 153.4 52.1 45.7 -0.6 11.1 50.0 101 107 A Q E < -G 96 0B 127 -5,-1.7 -5,-2.4 3,-0.0 2,-0.3 -0.941 36.9-148.2-114.0 128.0 2.9 9.7 49.4 102 108 A V E -G 95 0B 60 -2,-0.5 -7,-0.2 -7,-0.2 2,-0.1 -0.652 33.6-101.5 -93.7 141.8 6.1 10.9 51.1 103 109 A H - 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