==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 08-JUN-08 3DE9 . COMPND 2 MOLECULE: SOLUBLE CYTOCHROME B562; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR E.N.SALGADO,R.A.LEWIS,A.L.RHEINGOLD,F.A.TEZCAN . 106 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6358.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 88 83.0 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 . 1 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 0 1 1 0 0 0 0 1 0 1 0 0 0 0 0 0 1 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 1 A A 0 0 74 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 169.4 -12.9 -11.0 -2.1 2 2 A D > - 0 0 63 1,-0.1 4,-2.1 41,-0.0 5,-0.3 -0.410 360.0-111.4 -82.1 156.1 -11.1 -9.6 -5.2 3 3 A L H > S+ 0 0 26 1,-0.2 4,-2.1 2,-0.2 3,-0.2 0.935 117.3 51.4 -50.3 -49.5 -7.6 -10.6 -6.2 4 4 A E H > S+ 0 0 109 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.876 109.6 46.6 -64.7 -39.3 -6.3 -7.2 -5.3 5 5 A D H > S+ 0 0 80 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.859 110.7 54.3 -70.0 -32.1 -7.8 -7.0 -1.7 6 6 A N H X S+ 0 0 8 -4,-2.1 4,-3.4 -3,-0.2 -2,-0.2 0.890 106.7 51.9 -66.5 -36.2 -6.5 -10.5 -1.0 7 7 A M H X S+ 0 0 50 -4,-2.1 4,-2.5 -5,-0.3 -2,-0.2 0.835 109.7 48.5 -70.3 -28.9 -3.0 -9.3 -2.1 8 8 A E H X S+ 0 0 100 -4,-1.5 4,-3.5 2,-0.2 5,-0.2 0.837 110.4 51.0 -74.8 -39.7 -3.4 -6.4 0.4 9 9 A T H X S+ 0 0 46 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.957 113.4 45.6 -56.8 -54.2 -4.5 -8.9 3.0 10 10 A L H X S+ 0 0 15 -4,-3.4 4,-1.4 2,-0.2 -2,-0.2 0.963 117.7 44.6 -50.9 -52.6 -1.3 -11.0 2.2 11 11 A N H X S+ 0 0 83 -4,-2.5 4,-1.1 1,-0.2 3,-0.5 0.964 114.8 46.7 -63.4 -52.0 0.8 -7.8 2.2 12 12 A D H >X S+ 0 0 71 -4,-3.5 4,-2.2 1,-0.2 3,-0.7 0.910 109.7 51.0 -53.7 -53.7 -0.7 -6.3 5.4 13 13 A N H 3X S+ 0 0 17 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.805 103.4 62.0 -59.6 -27.6 -0.6 -9.5 7.6 14 14 A L H 3X S+ 0 0 12 -4,-1.4 4,-1.8 -3,-0.5 -1,-0.2 0.855 105.4 45.6 -60.4 -42.2 3.1 -9.8 6.6 15 15 A K H < S+ 0 0 0 -4,-1.3 3,-2.1 2,-0.2 -2,-0.2 0.908 107.5 55.3 -75.5 -49.3 4.0 -10.7 11.7 18 18 A E H 3< S+ 0 0 64 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.732 119.3 35.8 -66.4 -18.3 7.4 -9.0 11.2 19 19 A K T 3< S+ 0 0 183 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.203 91.5 133.4-109.1 10.1 6.5 -6.6 14.0 20 20 A A < - 0 0 17 -3,-2.1 -3,-0.1 1,-0.1 3,-0.1 -0.263 44.2-158.3 -73.2 150.2 4.5 -9.0 16.3 21 21 A D S S+ 0 0 140 1,-0.1 2,-0.2 63,-0.0 -1,-0.1 0.856 70.9 13.8 -81.2 -43.8 5.0 -9.3 20.1 22 22 A N S > S- 0 0 63 62,-0.1 4,-1.9 1,-0.1 3,-0.4 -0.791 76.6 -96.6-141.2 169.1 3.6 -12.8 20.5 23 23 A A H > S+ 0 0 26 -2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.851 114.2 56.6 -56.6 -46.4 2.4 -16.1 19.1 24 24 A A H > S+ 0 0 64 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.864 106.7 50.6 -61.4 -35.5 -1.3 -15.3 19.0 25 25 A Q H > S+ 0 0 72 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.962 114.2 44.4 -65.4 -48.2 -0.6 -12.2 16.8 26 26 A V H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.953 112.9 50.3 -56.5 -51.6 1.4 -14.4 14.5 27 27 A K H X S+ 0 0 88 -4,-3.3 4,-2.6 1,-0.2 -2,-0.2 0.932 111.6 50.2 -57.6 -45.4 -1.2 -17.3 14.4 28 28 A D H X S+ 0 0 84 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.893 111.7 45.4 -57.1 -47.1 -4.0 -14.9 13.6 29 29 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.949 113.2 50.1 -67.6 -44.7 -2.2 -13.2 10.7 30 30 A L H X S+ 0 0 1 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.906 109.3 52.8 -59.0 -42.4 -1.1 -16.6 9.2 31 31 A T H X S+ 0 0 84 -4,-2.6 4,-2.1 -5,-0.3 -1,-0.2 0.946 112.2 45.0 -56.0 -49.2 -4.7 -17.8 9.5 32 32 A K H X S+ 0 0 98 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.820 110.6 53.4 -62.7 -36.2 -5.8 -14.7 7.6 33 33 A M H X S+ 0 0 3 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.927 107.1 52.7 -69.1 -37.9 -3.0 -15.1 5.0 34 34 A R H X S+ 0 0 116 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.939 109.5 48.4 -59.2 -50.6 -4.2 -18.6 4.4 35 35 A A H X S+ 0 0 62 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.920 114.5 45.5 -51.3 -49.7 -7.7 -17.5 3.8 36 36 A A H X S+ 0 0 2 -4,-2.0 4,-3.4 1,-0.2 5,-0.2 0.909 111.3 52.4 -66.4 -44.0 -6.6 -14.8 1.4 37 37 A A H X S+ 0 0 0 -4,-2.9 4,-1.5 2,-0.2 -1,-0.2 0.888 111.2 46.8 -51.2 -52.2 -4.2 -17.0 -0.4 38 38 A L H < S+ 0 0 65 -4,-2.3 4,-0.4 -5,-0.2 -2,-0.2 0.862 114.9 46.4 -64.0 -37.9 -6.9 -19.6 -1.0 39 39 A D H >< S+ 0 0 57 -4,-2.1 3,-1.0 1,-0.2 4,-0.5 0.881 110.5 51.5 -74.4 -40.5 -9.4 -16.9 -2.2 40 40 A A H >< S+ 0 0 0 -4,-3.4 3,-1.1 1,-0.2 -1,-0.2 0.821 99.5 67.5 -59.8 -32.8 -6.8 -15.3 -4.5 41 41 A Q T 3< S+ 0 0 35 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.740 96.0 55.1 -60.8 -25.1 -6.2 -18.8 -5.9 42 42 A K T < S+ 0 0 154 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.639 92.9 94.0 -77.5 -21.5 -9.8 -18.7 -7.4 43 43 A A S < S- 0 0 14 -3,-1.1 -41,-0.0 -4,-0.5 -3,-0.0 -0.299 71.4-134.0 -74.8 156.0 -9.3 -15.4 -9.3 44 44 A T - 0 0 68 -2,-0.0 -41,-0.1 5,-0.0 5,-0.1 -0.976 30.5-136.5-107.1 127.3 -8.2 -15.0 -12.9 45 45 A P > - 0 0 6 0, 0.0 3,-2.6 0, 0.0 4,-0.2 -0.540 18.3-109.2 -90.4 147.6 -5.5 -12.3 -12.9 46 46 A P G > S+ 0 0 70 0, 0.0 3,-3.0 0, 0.0 4,-0.3 0.883 116.5 56.1 -32.6 -68.3 -5.3 -9.5 -15.5 47 47 A K G 3 S+ 0 0 109 58,-0.4 3,-0.3 1,-0.3 59,-0.1 0.698 113.4 44.0 -42.1 -23.7 -2.2 -10.9 -17.4 48 48 A L G X S+ 0 0 8 -3,-2.6 3,-1.9 1,-0.2 -1,-0.3 0.203 70.8 114.4-116.5 16.7 -4.2 -14.1 -17.9 49 49 A E T < S+ 0 0 147 -3,-3.0 -1,-0.2 1,-0.3 -2,-0.1 0.739 76.9 59.4 -53.7 -20.9 -7.7 -12.9 -18.9 50 50 A D T 3 S+ 0 0 126 -3,-0.3 2,-0.3 -4,-0.3 -1,-0.3 0.315 92.6 84.9 -93.9 11.3 -7.0 -14.5 -22.4 51 51 A K S < S- 0 0 79 -3,-1.9 -3,-0.0 4,-0.1 0, 0.0 -0.824 77.8-117.9-117.7 147.9 -6.6 -18.1 -21.1 52 52 A S > - 0 0 73 -2,-0.3 3,-1.9 1,-0.1 6,-0.3 -0.381 36.2-106.3 -76.6 159.8 -9.1 -20.8 -20.2 53 53 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.734 121.1 49.1 -62.9 -15.1 -9.2 -22.0 -16.7 54 54 A D T 3 S+ 0 0 141 4,-0.1 -2,-0.0 5,-0.0 -3,-0.0 0.161 81.2 123.1-107.7 19.0 -7.5 -25.2 -17.7 55 55 A S S <> S- 0 0 9 -3,-1.9 4,-2.1 1,-0.1 5,-0.1 -0.355 77.3-112.4 -65.0 156.6 -4.7 -23.6 -19.6 56 56 A P H > S+ 0 0 100 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.787 117.4 53.6 -59.0 -28.8 -1.2 -24.5 -18.4 57 57 A E H > S+ 0 0 61 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.825 107.4 47.3 -77.0 -38.9 -0.7 -20.9 -17.3 58 58 A M H > S+ 0 0 6 -6,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.878 113.3 51.5 -67.2 -39.4 -3.8 -20.8 -15.1 59 59 A H H X S+ 0 0 94 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.964 113.8 42.7 -54.2 -57.1 -2.7 -24.2 -13.7 60 60 A D H X S+ 0 0 64 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.865 111.3 55.9 -60.8 -39.8 0.7 -22.8 -12.9 61 61 A F H >X S+ 0 0 7 -4,-2.5 4,-0.7 1,-0.2 3,-0.6 0.935 108.7 46.5 -57.7 -46.7 -0.8 -19.6 -11.6 62 62 A R H >X S+ 0 0 70 -4,-2.4 4,-1.2 1,-0.2 3,-1.0 0.904 105.4 61.4 -67.5 -35.1 -2.9 -21.6 -9.1 63 63 A H H 3X S+ 0 0 81 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.803 91.8 66.4 -58.5 -28.7 0.2 -23.7 -8.1 64 64 A G H <>S+ 0 0 38 -4,-1.4 5,-2.4 1,-0.2 3,-0.6 0.942 113.6 47.8 -61.2 -46.7 6.2 -22.7 14.5 79 79 A A H ><5S+ 0 0 1 -4,-2.6 3,-2.0 1,-0.2 -2,-0.2 0.914 107.7 56.6 -57.9 -42.4 3.8 -20.1 15.8 80 80 A N H 3<5S+ 0 0 85 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.739 105.1 51.4 -65.5 -25.0 1.7 -22.9 17.3 81 81 A E T <<5S- 0 0 107 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.208 121.6-104.3 -99.4 21.4 4.7 -24.0 19.3 82 82 A G T < 5S+ 0 0 52 -3,-2.0 2,-1.1 1,-0.2 -3,-0.2 0.706 76.5 137.9 72.9 19.8 5.4 -20.5 20.7 83 83 A K >< + 0 0 86 -5,-2.4 4,-2.6 1,-0.2 5,-0.2 -0.658 19.8 165.7-100.9 79.1 8.4 -19.9 18.4 84 84 A V H > + 0 0 29 -2,-1.1 4,-1.9 1,-0.2 -1,-0.2 0.858 68.6 45.6 -73.3 -39.6 7.7 -16.4 17.5 85 85 A K H > S+ 0 0 160 2,-0.2 4,-1.6 -3,-0.2 -1,-0.2 0.819 115.3 45.5 -73.9 -34.5 11.0 -15.3 15.9 86 86 A E H > S+ 0 0 76 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.913 111.7 53.9 -77.0 -35.3 11.4 -18.4 13.8 87 87 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.920 109.4 49.3 -52.0 -43.7 7.8 -18.0 12.8 88 88 A Q H X S+ 0 0 45 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.828 108.3 53.1 -65.1 -35.5 8.8 -14.5 11.8 89 89 A A H X S+ 0 0 48 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.882 109.2 48.5 -64.4 -45.7 11.7 -15.9 9.9 90 90 A A H X S+ 0 0 6 -4,-2.6 4,-1.0 2,-0.2 -2,-0.2 0.963 108.1 53.7 -57.4 -50.7 9.4 -18.2 8.0 91 91 A A H >< S+ 0 0 0 -4,-2.4 3,-0.9 1,-0.3 4,-0.4 0.891 109.4 49.6 -55.5 -44.8 7.0 -15.4 7.2 92 92 A E H >< S+ 0 0 88 -4,-1.9 3,-1.5 1,-0.2 -1,-0.3 0.895 103.7 58.3 -57.9 -48.3 9.9 -13.4 5.7 93 93 A Q H >< S+ 0 0 134 -4,-2.1 3,-1.2 1,-0.2 4,-0.4 0.684 90.0 75.5 -49.5 -25.8 11.0 -16.5 3.6 94 94 A L T XX S+ 0 0 2 -4,-1.0 4,-1.9 -3,-0.9 3,-1.5 0.771 76.4 80.6 -63.9 -26.2 7.4 -16.4 2.0 95 95 A K H <> S+ 0 0 78 -3,-1.5 4,-2.4 -4,-0.4 -1,-0.3 0.799 81.0 59.2 -46.7 -41.4 8.6 -13.4 0.0 96 96 A T H <> S+ 0 0 101 -3,-1.2 4,-1.4 1,-0.2 -1,-0.3 0.748 108.8 46.9 -69.3 -23.8 10.5 -15.4 -2.6 97 97 A T H <> S+ 0 0 17 -3,-1.5 4,-2.3 -4,-0.4 5,-0.2 0.882 110.1 51.1 -76.6 -48.1 7.1 -17.1 -3.4 98 98 A C H X S+ 0 0 30 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.921 116.9 42.0 -47.3 -47.7 5.3 -13.9 -3.6 99 99 A N H X S+ 0 0 80 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.797 109.0 56.8 -80.1 -34.7 8.0 -12.6 -6.0 100 100 A A H X S+ 0 0 46 -4,-1.4 4,-1.5 -5,-0.2 -1,-0.2 0.946 112.0 42.3 -61.8 -47.3 8.3 -15.7 -8.0 101 101 A C H X S+ 0 0 25 -4,-2.3 4,-2.7 1,-0.2 5,-0.4 0.932 116.1 51.0 -63.1 -44.7 4.6 -15.6 -8.9 102 102 A H H X S+ 0 0 52 -4,-1.9 4,-1.6 -5,-0.2 -2,-0.2 0.907 102.0 58.8 -59.2 -45.4 4.8 -11.8 -9.4 103 103 A Q H < S+ 0 0 146 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.956 119.9 28.9 -50.3 -50.4 7.8 -12.0 -11.8 104 104 A K H < S+ 0 0 113 -4,-1.5 -2,-0.2 -5,-0.1 -1,-0.2 0.812 134.2 22.2 -87.5 -29.6 5.8 -14.2 -14.2 105 105 A Y H < 0 0 27 -4,-2.7 -58,-0.4 -5,-0.2 -3,-0.2 0.542 360.0 360.0-117.1 -12.8 2.1 -13.2 -13.7 106 106 A R < 0 0 225 -4,-1.6 -4,-0.0 -5,-0.4 0, 0.0 -0.692 360.0 360.0 -84.7 360.0 1.8 -9.7 -12.3