==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 19-APR-12 4ER9 . COMPND 2 MOLECULE: SOLUBLE CYTOCHROME B562; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA SUBSP. ENTERICA SE . AUTHOR K.TAN,C.HATZOS-SKINTGES,R.JEDRZEJCZAK,J.ADKINS,A.JOACHIMIAK, . 105 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6288.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 86 81.9 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 . 2 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 1 0 1 0 0 0 0 0 0 0 2 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 23 A A > 0 0 108 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -18.8 24.1 4.8 19.4 2 24 A D H > + 0 0 109 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.814 360.0 55.7 -70.1 -28.0 25.1 8.1 17.8 3 25 A L H > S+ 0 0 26 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.966 109.6 44.1 -67.5 -51.7 23.0 7.3 14.7 4 26 A E H > S+ 0 0 125 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.909 113.0 55.5 -53.4 -42.7 19.8 6.7 16.8 5 27 A D H X S+ 0 0 67 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.903 109.5 43.8 -59.3 -45.7 20.7 9.9 18.7 6 28 A N H X S+ 0 0 15 -4,-2.3 4,-3.3 2,-0.2 -1,-0.2 0.928 113.5 50.2 -67.9 -44.8 20.9 12.0 15.6 7 29 A M H X S+ 0 0 24 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.878 109.4 54.4 -56.1 -38.2 17.7 10.5 14.2 8 30 A D H X S+ 0 0 78 -4,-2.8 4,-2.0 -5,-0.2 -2,-0.2 0.931 110.2 45.0 -59.4 -46.0 16.3 11.4 17.6 9 31 A I H X S+ 0 0 68 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.923 112.3 52.2 -64.8 -45.1 17.4 14.9 17.2 10 32 A L H X S+ 0 0 0 -4,-3.3 4,-1.6 1,-0.2 -1,-0.2 0.893 113.4 43.5 -54.5 -44.0 16.1 15.0 13.7 11 33 A N H X S+ 0 0 46 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.808 109.8 54.2 -80.1 -30.5 12.7 13.8 14.7 12 34 A D H X S+ 0 0 96 -4,-2.0 4,-1.0 -5,-0.2 -1,-0.2 0.883 113.6 44.1 -65.7 -39.5 12.3 16.0 17.8 13 35 A N H X S+ 0 0 19 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.770 103.4 62.3 -81.5 -28.6 13.0 19.0 15.6 14 36 A L H X S+ 0 0 8 -4,-1.6 4,-1.0 1,-0.2 -1,-0.2 0.864 104.0 52.6 -56.8 -37.0 10.7 17.9 12.8 15 37 A K H X S+ 0 0 125 -4,-1.1 4,-1.7 1,-0.2 -2,-0.2 0.892 107.3 51.3 -67.3 -38.7 8.0 18.2 15.5 16 38 A V H X S+ 0 0 48 -4,-1.0 4,-2.7 1,-0.2 -2,-0.2 0.897 108.1 49.8 -65.3 -42.6 9.1 21.7 16.3 17 39 A V H < S+ 0 0 1 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.725 114.0 47.6 -72.3 -19.0 9.0 22.9 12.7 18 40 A E H < S+ 0 0 70 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.832 122.3 32.7 -81.0 -35.4 5.5 21.4 12.4 19 41 A K H < S+ 0 0 178 -4,-1.7 -2,-0.2 -5,-0.1 -3,-0.2 0.711 96.3 92.3-101.9 -27.3 4.2 22.9 15.6 20 42 A T < - 0 0 10 -4,-2.7 3,-0.0 -5,-0.2 -4,-0.0 -0.330 36.6-179.4 -78.8 152.3 5.9 26.3 16.1 21 43 A D + 0 0 145 -2,-0.1 2,-0.6 67,-0.0 -1,-0.1 0.057 60.2 104.4-126.1 18.1 4.7 29.7 15.0 22 44 A S > - 0 0 38 1,-0.2 4,-2.6 62,-0.0 5,-0.2 -0.906 62.2-152.3-101.9 117.3 7.8 31.3 16.4 23 45 A A H > S+ 0 0 29 -2,-0.6 4,-2.8 1,-0.2 5,-0.2 0.926 95.8 47.2 -55.6 -51.6 10.4 32.3 13.8 24 46 A P H > S+ 0 0 93 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.919 112.2 51.4 -62.1 -35.5 13.4 32.0 16.0 25 47 A E H > S+ 0 0 111 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.920 110.0 50.3 -60.0 -44.0 12.2 28.6 17.2 26 48 A L H X S+ 0 0 6 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.924 112.2 46.7 -58.7 -48.1 11.8 27.6 13.5 27 49 A K H X S+ 0 0 64 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.922 111.6 50.0 -61.8 -46.2 15.3 28.7 12.6 28 50 A A H X S+ 0 0 44 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.853 112.1 49.4 -63.5 -33.0 16.9 27.0 15.7 29 51 A A H X S+ 0 0 4 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.917 110.6 48.8 -71.1 -43.0 15.1 23.8 14.8 30 52 A L H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.910 112.1 50.4 -61.3 -41.9 16.2 23.9 11.2 31 53 A T H X S+ 0 0 78 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.896 110.4 47.3 -63.0 -44.8 19.8 24.5 12.3 32 54 A K H X S+ 0 0 122 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.882 110.9 53.7 -66.5 -36.4 19.8 21.6 14.8 33 55 A M H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.866 104.8 54.4 -61.9 -40.9 18.3 19.4 12.1 34 56 A R H X S+ 0 0 94 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.932 110.5 44.1 -61.6 -48.2 21.0 20.2 9.6 35 57 A A H X S+ 0 0 59 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.908 114.0 51.2 -64.7 -40.7 23.9 19.3 12.0 36 58 A A H X S+ 0 0 3 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.864 109.0 51.3 -63.9 -36.4 22.1 16.1 13.0 37 59 A A H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.887 108.0 50.3 -70.7 -39.9 21.5 15.1 9.4 38 60 A L H < S+ 0 0 52 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.817 112.6 48.9 -69.5 -28.6 25.2 15.6 8.4 39 61 A D H >< S+ 0 0 71 -4,-1.6 3,-1.0 -5,-0.2 4,-0.3 0.887 110.0 48.9 -73.8 -42.6 26.2 13.4 11.4 40 62 A A H >< S+ 0 0 0 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.817 100.7 68.2 -64.9 -29.9 23.7 10.7 10.6 41 63 A Q T 3< S+ 0 0 35 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.743 95.4 54.7 -65.4 -22.5 25.0 10.7 7.0 42 64 A K T < S+ 0 0 161 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.589 96.7 89.0 -82.7 -12.5 28.4 9.3 8.2 43 65 A A < - 0 0 25 -3,-1.5 -3,-0.0 -4,-0.3 19,-0.0 -0.263 68.8-137.0 -85.4 169.2 26.7 6.3 9.9 44 66 A T - 0 0 69 -2,-0.0 5,-0.1 17,-0.0 -41,-0.1 -0.995 28.3-125.9-122.8 120.0 25.8 2.9 8.7 45 67 A P >> - 0 0 3 0, 0.0 3,-3.2 0, 0.0 4,-0.6 -0.412 22.3-115.4 -71.6 140.8 22.4 1.7 9.9 46 68 A P G >4 S+ 0 0 76 0, 0.0 3,-0.9 0, 0.0 4,-0.2 0.788 114.0 61.1 -43.8 -34.1 22.4 -1.6 11.7 47 69 A K G 34 S+ 0 0 167 58,-0.4 3,-0.1 1,-0.2 0, 0.0 0.518 110.1 38.3 -76.3 -6.2 20.3 -3.1 8.9 48 70 A L G X4 S+ 0 0 17 -3,-3.2 3,-1.7 57,-0.2 -1,-0.2 0.286 78.1 109.9-126.0 7.1 22.9 -2.5 6.2 49 71 A E T << S+ 0 0 129 -3,-0.9 -2,-0.1 -4,-0.6 -1,-0.1 0.718 80.9 53.1 -53.7 -23.8 26.1 -3.3 8.2 50 72 A D T 3 S+ 0 0 163 -4,-0.2 -1,-0.3 2,-0.1 2,-0.1 0.559 92.9 84.0 -96.7 -10.4 26.5 -6.4 6.0 51 73 A K S < S- 0 0 111 -3,-1.7 -3,-0.1 1,-0.1 0, 0.0 -0.452 96.7 -87.0 -79.1 164.4 26.3 -4.6 2.7 52 74 A A > - 0 0 54 1,-0.1 3,-3.7 -2,-0.1 6,-0.3 -0.553 29.1-122.9 -74.6 140.2 29.4 -3.1 1.2 53 75 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.666 118.8 50.7 -50.0 -16.9 30.1 0.6 2.3 54 76 A D T 3 S+ 0 0 117 4,-0.1 5,-0.1 5,-0.0 -2,-0.0 0.430 86.0 125.8-103.9 -7.3 30.0 1.1 -1.5 55 77 A S S X> S- 0 0 9 -3,-3.7 4,-2.7 1,-0.1 3,-0.8 -0.079 73.4-116.9 -58.8 153.0 26.7 -0.6 -2.0 56 78 A P H 3> S+ 0 0 95 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.849 118.0 59.4 -54.9 -34.9 23.7 1.1 -3.8 57 79 A E H 3> S+ 0 0 64 2,-0.2 4,-1.3 1,-0.2 -2,-0.1 0.821 109.7 41.1 -66.9 -30.2 21.9 0.8 -0.5 58 80 A M H <> S+ 0 0 1 -3,-0.8 4,-2.6 -6,-0.3 5,-0.2 0.860 112.3 53.1 -84.1 -40.0 24.6 2.8 1.3 59 81 A K H X S+ 0 0 124 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.888 114.1 45.7 -55.2 -38.5 24.9 5.4 -1.6 60 82 A D H X S+ 0 0 50 -4,-2.2 4,-1.6 -5,-0.2 -2,-0.2 0.835 108.0 55.5 -79.7 -34.1 21.2 5.8 -1.3 61 83 A F H X S+ 0 0 7 -4,-1.3 4,-0.8 -5,-0.2 -2,-0.2 0.948 113.7 41.6 -59.5 -47.7 21.2 6.0 2.5 62 84 A R H >X S+ 0 0 77 -4,-2.6 4,-1.2 1,-0.2 3,-0.9 0.929 110.3 57.5 -66.0 -43.0 23.7 8.9 2.3 63 85 A H H 3X S+ 0 0 91 -4,-2.2 4,-2.2 1,-0.3 -1,-0.2 0.815 95.7 63.1 -61.8 -32.0 21.9 10.6 -0.6 64 86 A G H 3X S+ 0 0 4 -4,-1.6 4,-2.2 1,-0.2 -1,-0.3 0.882 104.2 50.1 -58.4 -36.5 18.7 10.8 1.4 65 87 A F H S+ 0 0 37 -4,-1.8 5,-2.2 2,-0.2 3,-0.5 0.926 114.3 48.3 -58.9 -48.5 13.8 31.8 3.3 79 101 A A H ><5S+ 0 0 0 -4,-2.5 3,-2.1 1,-0.2 -2,-0.2 0.931 107.5 55.0 -61.4 -48.1 13.5 32.1 7.0 80 102 A N H 3<5S+ 0 0 108 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.736 103.9 55.4 -59.7 -24.9 16.6 34.3 7.3 81 103 A E T 3<5S- 0 0 136 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.623 125.2-105.2 -77.0 -14.8 15.1 36.7 4.7 82 104 A G T < 5S+ 0 0 46 -3,-2.1 2,-1.7 -4,-0.5 3,-0.3 0.427 86.8 127.0 98.0 1.5 12.1 37.0 7.0 83 105 A N >< + 0 0 72 -5,-2.2 4,-1.8 -6,-0.2 -3,-0.1 -0.506 26.4 150.0 -87.0 68.3 10.0 34.8 4.7 84 106 A V H > + 0 0 48 -2,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.735 61.0 53.7 -83.9 -25.4 9.1 32.6 7.6 85 107 A K H > S+ 0 0 140 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.901 112.9 45.9 -74.9 -38.4 5.6 31.4 6.6 86 108 A E H > S+ 0 0 120 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.878 110.3 54.5 -66.2 -38.1 7.0 30.2 3.3 87 109 A A H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.930 109.2 47.8 -58.1 -46.1 10.0 28.6 5.2 88 110 A K H X S+ 0 0 37 -4,-1.9 4,-0.6 2,-0.2 -1,-0.2 0.843 111.3 50.3 -65.2 -33.2 7.5 26.7 7.4 89 111 A A H >< S+ 0 0 57 -4,-1.6 3,-1.3 2,-0.2 4,-0.3 0.947 111.5 47.6 -71.1 -45.8 5.5 25.6 4.4 90 112 A A H >< S+ 0 0 46 -4,-2.7 3,-1.9 1,-0.3 -2,-0.2 0.890 106.2 60.0 -55.9 -40.1 8.7 24.3 2.6 91 113 A A H >X S+ 0 0 1 -4,-2.2 3,-1.7 1,-0.3 4,-0.5 0.675 85.1 77.4 -69.6 -15.1 9.6 22.6 5.8 92 114 A E T << S+ 0 0 103 -3,-1.3 4,-0.5 -4,-0.6 -1,-0.3 0.733 88.2 60.1 -63.2 -20.1 6.5 20.5 5.7 93 115 A A T <> S+ 0 0 45 -3,-1.9 4,-1.3 -4,-0.3 -1,-0.3 0.463 84.6 80.5 -88.7 -3.0 8.2 18.4 3.0 94 116 A L H <> S+ 0 0 0 -3,-1.7 4,-2.5 2,-0.2 3,-0.4 0.957 87.9 52.0 -65.0 -52.2 11.0 17.4 5.4 95 117 A K H X S+ 0 0 65 -4,-0.5 4,-2.8 1,-0.3 5,-0.2 0.876 107.0 55.7 -53.0 -42.2 9.1 14.6 7.2 96 118 A T H > S+ 0 0 79 -4,-0.5 4,-2.3 2,-0.2 -1,-0.3 0.897 108.3 46.0 -58.2 -46.4 8.2 13.1 3.8 97 119 A T H X S+ 0 0 19 -4,-1.3 4,-2.1 -3,-0.4 5,-0.2 0.945 112.9 50.5 -61.8 -47.2 11.9 12.9 2.8 98 120 A R H X S+ 0 0 47 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.904 112.4 47.5 -59.2 -41.5 12.8 11.4 6.2 99 121 A N H X S+ 0 0 71 -4,-2.8 4,-1.1 -5,-0.2 -1,-0.2 0.878 109.3 52.7 -68.5 -41.0 10.0 8.8 5.8 100 122 A T H X S+ 0 0 55 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.885 118.1 36.6 -59.9 -41.5 10.9 7.8 2.3 101 123 A Y H < S+ 0 0 48 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.691 113.1 57.0 -89.6 -17.8 14.6 7.2 3.3 102 124 A H H < S+ 0 0 96 -4,-1.8 3,-0.3 -5,-0.2 -2,-0.2 0.639 104.2 55.8 -84.3 -18.1 13.8 5.7 6.7 103 125 A K H < S+ 0 0 166 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.935 108.1 45.0 -72.4 -48.3 11.6 3.1 5.1 104 126 A K < 0 0 107 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.1 0.133 360.0 360.0 -92.8 19.9 14.2 1.7 2.8 105 127 A Y 0 0 56 -3,-0.3 -58,-0.4 -44,-0.0 -1,-0.2 -0.107 360.0 360.0-127.8 360.0 17.2 1.4 5.1