==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 23-MAY-13 4KVQ . COMPND 2 MOLECULE: ALDEHYDE DECARBONYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PROCHLOROCOCCUS MARINUS; . AUTHOR C.W.LEVY,B.KHARA,N.MENON,D.MANSELL,D.DAS,E.N.G.MARSH,D.LEYS, . 223 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10559.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 193 86.5 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 . 4 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 3.6 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 2 0 0 0 0 1 0 0 0 0 0 1 1 0 0 0 1 0 0 0 0 0 2 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 19 A S > 0 0 128 0, 0.0 3,-0.9 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -43.6 -8.0 8.4 3.9 2 20 A E T 3 + 0 0 109 1,-0.2 0, 0.0 0, 0.0 0, 0.0 0.666 360.0 64.2 -72.0 -17.8 -9.1 12.1 4.1 3 21 A A T 3 S+ 0 0 60 2,-0.0 -1,-0.2 184,-0.0 120,-0.0 0.573 76.1 108.6 -82.6 -12.0 -10.1 11.7 0.4 4 22 A L S < S- 0 0 75 -3,-0.9 183,-0.1 1,-0.1 120,-0.1 -0.480 75.2-114.9 -65.4 135.5 -12.8 9.1 1.2 5 23 A P - 0 0 15 0, 0.0 2,-1.1 0, 0.0 -1,-0.1 -0.207 24.1-106.1 -63.8 158.9 -16.3 10.6 0.8 6 24 A D > - 0 0 91 1,-0.1 3,-1.5 2,-0.0 6,-0.3 -0.804 33.8-165.7 -83.2 99.8 -18.7 11.0 3.7 7 25 A F T 3 S+ 0 0 31 -2,-1.1 -1,-0.1 1,-0.3 118,-0.0 0.627 81.6 56.5 -66.5 -13.4 -21.0 8.1 2.8 8 26 A T T 3 S+ 0 0 100 4,-0.1 -1,-0.3 -3,-0.0 -2,-0.0 0.566 82.3 107.5 -95.3 -11.1 -23.7 9.5 5.2 9 27 A S S <> S- 0 0 28 -3,-1.5 4,-2.5 1,-0.1 5,-0.2 -0.302 74.3-126.3 -73.7 152.3 -24.1 13.0 3.7 10 28 A D H > S+ 0 0 136 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.845 111.5 57.1 -61.4 -34.4 -27.2 14.0 1.7 11 29 A R H > S+ 0 0 152 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.927 109.9 43.2 -63.6 -45.6 -24.9 15.1 -1.1 12 30 A Y H > S+ 0 0 0 -6,-0.3 4,-2.9 1,-0.2 5,-0.2 0.938 113.6 50.4 -66.9 -47.2 -23.3 11.7 -1.4 13 31 A K H X S+ 0 0 70 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.855 108.0 54.1 -61.1 -35.2 -26.6 9.8 -1.1 14 32 A D H X S+ 0 0 85 -4,-2.1 4,-0.8 2,-0.2 -1,-0.2 0.946 113.4 40.8 -63.9 -47.6 -28.2 11.9 -3.8 15 33 A A H >X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 3,-0.8 0.901 114.0 54.6 -67.7 -38.7 -25.4 11.2 -6.3 16 34 A Y H 3X S+ 0 0 7 -4,-2.9 4,-3.0 1,-0.2 5,-0.4 0.840 97.0 65.2 -65.3 -31.1 -25.3 7.5 -5.2 17 35 A S H 3X S+ 0 0 18 -4,-1.9 57,-2.5 -5,-0.2 4,-0.8 0.841 111.0 36.0 -61.5 -31.5 -29.1 7.2 -5.9 18 36 A R H X S+ 0 0 17 -4,-2.3 3,-1.4 1,-0.2 4,-0.6 0.886 104.2 56.5 -64.7 -38.9 -30.7 -12.7 -26.0 37 55 A I H >X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.3 3,-1.1 0.838 96.4 67.4 -62.3 -28.8 -27.4 -13.6 -27.6 38 56 A G H 3< S+ 0 0 7 -4,-1.3 -1,-0.3 1,-0.3 7,-0.2 0.761 92.5 58.4 -61.1 -26.8 -28.3 -17.2 -26.8 39 57 A T H << S+ 0 0 100 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.765 111.6 41.6 -73.3 -23.7 -31.1 -16.9 -29.4 40 58 A L H << S+ 0 0 40 -3,-1.1 -2,-0.2 -4,-0.6 -1,-0.2 0.710 124.4 36.0 -91.7 -27.1 -28.5 -16.1 -32.0 41 59 A L >< + 0 0 16 -4,-1.9 3,-2.3 1,-0.1 4,-0.3 -0.694 68.2 172.9-125.8 76.3 -26.0 -18.7 -30.8 42 60 A P G > S+ 0 0 95 0, 0.0 3,-1.0 0, 0.0 4,-0.2 0.792 78.7 57.1 -61.9 -27.5 -28.1 -21.6 -29.8 43 61 A D G 3 S+ 0 0 131 1,-0.2 3,-0.2 2,-0.1 4,-0.1 0.555 105.0 53.0 -79.0 -8.0 -25.1 -23.9 -29.2 44 62 A H G <> S+ 0 0 44 -3,-2.3 4,-2.8 -6,-0.2 3,-0.4 0.357 76.2 110.0-100.8 2.9 -23.7 -21.3 -26.7 45 63 A V H <> S+ 0 0 47 -3,-1.0 4,-2.7 -4,-0.3 5,-0.2 0.840 75.0 49.2 -53.7 -42.3 -26.9 -21.2 -24.6 46 64 A E H > S+ 0 0 124 2,-0.2 4,-1.6 -4,-0.2 -1,-0.2 0.911 114.6 44.6 -67.2 -38.9 -25.5 -23.0 -21.5 47 65 A E H > S+ 0 0 91 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.938 114.8 49.1 -67.4 -43.0 -22.4 -20.8 -21.3 48 66 A L H X S+ 0 0 1 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.866 108.5 53.3 -66.1 -35.4 -24.5 -17.7 -22.0 49 67 A K H X S+ 0 0 72 -4,-2.7 4,-2.1 -5,-0.3 -1,-0.2 0.859 107.9 51.9 -63.3 -37.3 -27.0 -18.7 -19.2 50 68 A R H X S+ 0 0 141 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.912 110.9 46.4 -65.2 -43.3 -24.0 -19.0 -16.9 51 69 A L H X S+ 0 0 1 -4,-2.2 4,-1.8 1,-0.2 3,-0.2 0.926 111.5 52.4 -63.3 -42.9 -22.9 -15.5 -17.7 52 70 A A H X S+ 0 0 1 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.881 106.2 53.4 -63.4 -38.4 -26.4 -14.2 -17.3 53 71 A K H X S+ 0 0 112 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.847 105.2 54.4 -64.7 -35.2 -26.7 -15.7 -13.9 54 72 A M H X S+ 0 0 13 -4,-1.5 4,-2.3 -3,-0.2 -1,-0.2 0.897 105.1 54.5 -61.5 -41.0 -23.5 -14.0 -12.8 55 73 A E H X S+ 0 0 1 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.876 105.1 52.8 -62.4 -37.1 -25.1 -10.7 -13.9 56 74 A M H X S+ 0 0 48 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.883 107.7 51.3 -67.7 -35.4 -28.0 -11.3 -11.7 57 75 A R H X S+ 0 0 152 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.899 109.8 49.8 -65.2 -40.4 -25.7 -11.9 -8.8 58 76 A H H X S+ 0 0 4 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.928 109.4 53.1 -60.3 -44.9 -23.9 -8.6 -9.5 59 77 A K H X S+ 0 0 53 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.923 110.2 45.9 -57.2 -47.1 -27.4 -6.9 -9.6 60 78 A K H X S+ 0 0 149 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.884 112.1 52.7 -64.7 -38.1 -28.4 -8.3 -6.2 61 79 A G H X S+ 0 0 15 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.921 112.8 42.5 -62.8 -46.2 -25.0 -7.3 -4.8 62 80 A F H X S+ 0 0 6 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.835 109.6 57.7 -73.8 -30.6 -25.2 -3.7 -6.0 63 81 A T H X S+ 0 0 47 -4,-2.3 4,-2.1 -5,-0.3 3,-0.4 0.952 106.5 50.5 -59.3 -45.5 -28.9 -3.5 -5.0 64 82 A A H X S+ 0 0 35 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.823 103.1 60.2 -59.9 -35.6 -27.6 -4.4 -1.5 65 83 A C H X S+ 0 0 0 -4,-1.3 4,-1.1 2,-0.2 -1,-0.2 0.884 106.4 46.2 -60.4 -40.7 -25.0 -1.6 -1.7 66 84 A G H ><>S+ 0 0 1 -4,-1.6 5,-2.7 -3,-0.4 3,-0.5 0.937 112.7 49.3 -67.4 -45.9 -27.7 1.0 -2.1 67 85 A K H ><5S+ 0 0 159 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.884 105.8 58.4 -58.3 -41.6 -29.8 -0.4 0.7 68 86 A N H 3<5S+ 0 0 81 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.804 109.4 43.6 -59.7 -33.6 -26.7 -0.4 3.0 69 87 A L T <<5S- 0 0 24 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.418 116.4-112.5 -92.6 0.5 -26.3 3.3 2.5 70 88 A G T < 5 + 0 0 61 -3,-1.3 2,-0.4 -4,-0.4 -3,-0.2 0.811 68.3 148.2 73.3 30.9 -30.0 4.0 3.0 71 89 A V < - 0 0 13 -5,-2.7 2,-0.6 -6,-0.1 -1,-0.3 -0.792 44.4-144.9-103.9 138.3 -30.2 5.1 -0.6 72 90 A E - 0 0 173 -2,-0.4 2,-0.1 -3,-0.1 -51,-0.1 -0.913 28.5-125.4-101.3 116.4 -33.3 4.7 -2.9 73 91 A A - 0 0 25 -2,-0.6 2,-1.7 1,-0.1 -55,-0.2 -0.369 8.8-133.8 -67.9 130.1 -32.1 4.0 -6.4 74 92 A D > + 0 0 62 -57,-2.5 4,-1.6 1,-0.2 3,-0.3 -0.585 32.5 173.2 -79.9 81.7 -33.5 6.3 -9.1 75 93 A M H > S+ 0 0 67 -2,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.786 70.6 58.5 -69.2 -27.1 -34.4 3.6 -11.6 76 94 A D H > S+ 0 0 109 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.927 106.0 49.6 -66.4 -42.3 -36.2 5.9 -14.1 77 95 A F H > S+ 0 0 75 -3,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.902 111.4 50.4 -58.8 -43.5 -33.0 7.9 -14.6 78 96 A A H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.891 107.1 52.8 -64.8 -41.0 -31.0 4.6 -15.1 79 97 A R H X S+ 0 0 102 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.906 111.5 46.4 -63.0 -39.9 -33.5 3.4 -17.7 80 98 A E H < S+ 0 0 124 -4,-2.0 3,-0.4 1,-0.2 -1,-0.2 0.880 107.5 58.1 -68.4 -37.8 -33.1 6.6 -19.7 81 99 A F H < S+ 0 0 10 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.873 114.3 36.9 -57.2 -43.3 -29.3 6.5 -19.3 82 100 A F H X S+ 0 0 13 -4,-1.8 4,-2.9 1,-0.2 3,-0.3 0.554 91.1 96.6 -87.1 -10.5 -29.1 3.0 -21.0 83 101 A A H X S+ 0 0 12 -4,-0.9 4,-2.8 -3,-0.4 5,-0.2 0.855 81.2 49.0 -54.4 -46.6 -31.9 3.6 -23.6 84 102 A P H > S+ 0 0 41 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.916 117.5 40.3 -61.2 -43.8 -29.8 4.7 -26.6 85 103 A L H > S+ 0 0 2 -4,-0.3 4,-2.5 -3,-0.3 -2,-0.2 0.896 114.1 54.3 -70.7 -40.2 -27.4 1.7 -26.3 86 104 A R H X S+ 0 0 60 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.913 107.1 52.2 -56.5 -45.0 -30.3 -0.6 -25.5 87 105 A D H X S+ 0 0 91 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.904 109.5 48.2 -60.0 -45.2 -32.0 0.6 -28.7 88 106 A N H X S+ 0 0 52 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.888 111.4 50.4 -65.7 -39.4 -29.0 -0.2 -30.8 89 107 A F H X S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.944 111.0 48.5 -60.5 -47.2 -28.6 -3.6 -29.2 90 108 A Q H X S+ 0 0 91 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.878 110.0 52.3 -64.0 -37.0 -32.2 -4.5 -29.8 91 109 A T H X S+ 0 0 78 -4,-2.1 4,-1.0 2,-0.2 -1,-0.2 0.926 112.2 44.8 -64.1 -44.7 -32.0 -3.3 -33.5 92 110 A A H <>S+ 0 0 4 -4,-2.1 5,-2.7 2,-0.2 3,-0.4 0.900 111.5 53.6 -65.3 -42.5 -28.9 -5.6 -34.1 93 111 A L H ><5S+ 0 0 36 -4,-2.8 3,-1.6 1,-0.2 -2,-0.2 0.920 107.1 51.7 -56.1 -46.0 -30.6 -8.5 -32.3 94 112 A G H 3<5S+ 0 0 69 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.752 110.8 48.1 -64.6 -26.1 -33.6 -8.2 -34.5 95 113 A Q T 3<5S- 0 0 117 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.319 114.5-116.5 -94.9 4.5 -31.4 -8.2 -37.6 96 114 A G T < 5 + 0 0 41 -3,-1.6 2,-2.0 -4,-0.2 -3,-0.2 0.706 58.9 157.3 69.3 20.6 -29.5 -11.3 -36.3 97 115 A K >< + 0 0 84 -5,-2.7 4,-2.0 1,-0.2 3,-0.5 -0.481 10.6 171.4 -85.0 75.7 -26.3 -9.3 -36.1 98 116 A T H > S+ 0 0 17 -2,-2.0 4,-2.6 1,-0.2 5,-0.2 0.858 72.8 53.9 -50.5 -47.6 -24.4 -11.3 -33.5 99 117 A P H > S+ 0 0 13 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.888 110.0 49.2 -62.1 -34.3 -21.0 -9.6 -33.8 100 118 A T H > S+ 0 0 15 -3,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.920 110.5 49.9 -67.6 -43.4 -22.7 -6.2 -33.2 101 119 A C H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 5,-0.4 0.923 113.2 46.9 -60.6 -43.3 -24.5 -7.6 -30.1 102 120 A L H X>S+ 0 0 0 -4,-2.6 5,-1.3 2,-0.2 4,-1.0 0.883 110.8 51.0 -67.3 -40.2 -21.3 -9.0 -28.8 103 121 A L H <>S+ 0 0 0 -4,-2.3 5,-3.1 -5,-0.2 4,-0.4 0.920 113.5 46.6 -62.0 -42.0 -19.3 -5.8 -29.4 104 122 A I H <>S+ 0 0 1 -4,-2.5 5,-2.5 3,-0.2 -2,-0.2 0.973 128.9 19.8 -64.8 -54.3 -22.0 -3.8 -27.6 105 123 A Q H <>S+ 0 0 1 -4,-2.7 5,-1.6 -5,-0.2 -3,-0.2 0.973 129.4 38.5 -82.6 -56.7 -22.4 -6.0 -24.5 106 124 A A T <5S+ 0 0 0 -4,-1.0 40,-0.2 -5,-0.4 41,-0.2 0.744 131.5 22.2 -77.0 -23.5 -19.3 -8.2 -24.2 107 125 A L T >< S+ 0 0 15 -4,-2.1 3,-1.7 -5,-0.2 4,-0.5 0.844 93.7 75.9 -75.5 -37.2 -14.8 3.0 -7.6 121 139 A I G >< S+ 0 0 22 -4,-2.2 3,-1.6 1,-0.3 -1,-0.2 0.885 93.2 49.5 -46.1 -53.2 -13.1 0.4 -5.4 122 140 A P G 3 S+ 0 0 78 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.677 119.2 39.1 -64.0 -17.3 -10.5 2.7 -3.8 123 141 A V G < S+ 0 0 22 -3,-1.7 -2,-0.2 -4,-0.3 2,-0.2 0.220 94.4 112.7-114.2 13.7 -13.2 5.3 -2.9 124 142 A S S < S- 0 0 1 -3,-1.6 -3,-0.0 -4,-0.5 -117,-0.0 -0.511 71.7-105.0 -90.9 154.1 -16.0 2.9 -1.9 125 143 A D > - 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