==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 30-MAY-99 1QPU . COMPND 2 MOLECULE: CYTOCHROME B562; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR F.ARNESANO,L.BANCI,I.BERTINI,J.FARAONE-MENNELLA,A.ROSATO, . 106 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7404.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 82 77.4 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 . 63 59.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.9 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 0 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 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 64 0, 0.0 39,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 158.6 10.6 -0.2 12.4 2 2 A D - 0 0 120 41,-0.1 42,-0.3 1,-0.0 0, 0.0 0.603 360.0-137.5 -84.9 -90.9 8.9 -2.8 14.4 3 3 A L S > S+ 0 0 41 40,-0.1 4,-2.2 42,-0.0 5,-0.2 -0.155 89.2 71.8 173.8 -41.8 7.1 -4.5 11.5 4 4 A E H > S+ 0 0 156 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.844 101.5 44.8 -55.1 -44.7 3.6 -5.0 13.0 5 5 A D H > S+ 0 0 66 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.772 112.2 51.7 -79.9 -27.5 2.8 -1.3 12.9 6 6 A N H > S+ 0 0 12 2,-0.2 4,-2.1 3,-0.2 -2,-0.2 0.864 112.5 45.7 -79.0 -32.2 4.1 -0.9 9.4 7 7 A M H X S+ 0 0 60 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.921 114.0 46.9 -75.7 -46.5 2.0 -3.8 8.1 8 8 A E H X S+ 0 0 129 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.908 112.0 52.5 -63.1 -37.6 -1.2 -2.7 9.9 9 9 A T H X S+ 0 0 28 -4,-1.8 4,-2.5 1,-0.2 5,-0.3 0.933 104.7 54.0 -67.0 -42.4 -0.6 0.9 8.7 10 10 A L H X S+ 0 0 20 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.858 114.6 44.2 -54.3 -32.1 -0.3 -0.4 5.1 11 11 A N H X S+ 0 0 72 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.902 109.2 53.6 -78.6 -43.1 -3.6 -2.0 5.7 12 12 A D H X S+ 0 0 60 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.928 107.3 52.2 -61.1 -45.2 -5.3 0.9 7.4 13 13 A N H X S+ 0 0 4 -4,-2.5 4,-1.8 1,-0.3 -1,-0.2 0.879 107.1 52.9 -59.3 -39.6 -4.4 3.2 4.5 14 14 A L H X S+ 0 0 26 -4,-1.0 4,-1.2 -5,-0.3 -1,-0.3 0.888 107.7 52.3 -63.5 -34.9 -6.0 0.7 2.1 15 15 A K H < S+ 0 0 106 -4,-1.9 4,-0.3 1,-0.2 3,-0.3 0.888 105.1 54.6 -68.3 -35.3 -9.1 0.9 4.4 16 16 A V H >X S+ 0 0 37 -4,-2.0 4,-2.6 1,-0.2 3,-1.7 0.908 103.5 56.2 -64.8 -35.6 -9.1 4.7 4.1 17 17 A I H 3< S+ 0 0 1 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.838 99.2 60.0 -66.6 -29.0 -9.1 4.3 0.3 18 18 A E T 3< S+ 0 0 133 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.543 120.2 27.2 -72.4 -6.7 -12.3 2.2 0.5 19 19 A K T <4 S+ 0 0 151 -3,-1.7 2,-0.5 -4,-0.3 -2,-0.2 0.642 89.1 103.5-119.0 -36.6 -14.1 5.2 2.2 20 20 A A < - 0 0 7 -4,-2.6 68,-0.1 1,-0.2 -1,-0.0 -0.472 45.6-171.5 -70.1 114.4 -12.4 8.4 1.0 21 21 A D + 0 0 146 -2,-0.5 2,-0.3 -3,-0.0 -1,-0.2 0.371 67.1 57.0 -89.1 4.8 -14.8 9.8 -1.6 22 22 A N S > S- 0 0 73 62,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.965 84.3-120.8-138.6 151.6 -12.2 12.4 -2.6 23 23 A A H > S+ 0 0 24 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.778 108.0 68.0 -61.8 -26.9 -8.6 12.4 -3.9 24 24 A A H > S+ 0 0 65 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.980 108.1 32.2 -55.9 -63.8 -7.6 14.5 -0.8 25 25 A Q H > S+ 0 0 104 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.875 116.5 57.7 -68.5 -37.4 -8.2 11.8 1.8 26 26 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.915 113.9 40.3 -55.1 -42.4 -7.3 8.9 -0.6 27 27 A K H X S+ 0 0 62 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.847 111.3 54.6 -77.7 -37.5 -3.8 10.7 -1.1 28 28 A D H X S+ 0 0 123 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.946 115.0 41.2 -64.9 -45.0 -3.3 11.7 2.6 29 29 A A H >X S+ 0 0 9 -4,-2.4 4,-1.7 1,-0.2 3,-0.5 0.964 112.2 53.9 -63.0 -51.0 -3.8 8.0 3.6 30 30 A L H 3X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.3 -2,-0.2 0.834 102.4 60.3 -60.9 -26.7 -1.8 6.7 0.7 31 31 A T H 3X S+ 0 0 85 -4,-2.0 4,-2.1 1,-0.2 -1,-0.3 0.948 103.7 49.3 -59.7 -48.2 1.0 9.0 1.9 32 32 A K H < S+ 0 0 52 -4,-1.8 3,-1.1 1,-0.2 -2,-0.2 0.874 110.9 56.1 -81.8 -35.4 10.0 1.6 7.3 40 40 A A H >< S+ 0 0 2 -4,-2.3 3,-1.7 1,-0.3 -1,-0.2 0.844 99.7 60.5 -60.7 -33.1 8.9 -2.0 6.5 41 41 A Q T 3< S+ 0 0 75 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.723 103.5 53.1 -66.5 -18.3 11.7 -2.1 4.0 42 42 A K T < S+ 0 0 164 -3,-1.1 -1,-0.3 -4,-0.3 2,-0.2 -0.012 99.2 85.4-102.3 24.2 13.9 -1.4 7.1 43 43 A A S < S- 0 0 10 -3,-1.7 -40,-0.1 -40,-0.1 -41,-0.1 -0.754 77.3-121.4-119.9 168.5 12.4 -4.4 9.0 44 44 A T - 0 0 84 -42,-0.3 5,-0.1 -2,-0.2 -2,-0.1 -0.966 25.0-135.9-115.4 118.0 13.3 -8.1 9.0 45 45 A P > - 0 0 16 0, 0.0 3,-1.8 0, 0.0 61,-0.1 -0.616 2.9-144.6 -79.7 129.7 10.4 -10.5 8.0 46 46 A P G >> S+ 0 0 99 0, 0.0 3,-1.8 0, 0.0 4,-0.5 0.813 97.1 69.5 -64.6 -28.7 10.0 -13.6 10.3 47 47 A K G 34 S+ 0 0 87 58,-0.4 59,-0.1 1,-0.3 3,-0.0 0.765 116.2 25.5 -56.2 -27.7 9.0 -15.7 7.2 48 48 A L G <4 S+ 0 0 13 -3,-1.8 3,-0.5 57,-0.2 -1,-0.3 -0.119 90.2 106.7-128.7 30.6 12.6 -15.3 6.1 49 49 A E T <4 S+ 0 0 132 -3,-1.8 -2,-0.1 1,-0.2 -1,-0.1 0.945 82.8 48.9 -75.6 -42.8 14.4 -14.8 9.4 50 50 A D S < S+ 0 0 168 -4,-0.5 -1,-0.2 -3,-0.0 -3,-0.1 0.275 93.9 118.3 -75.3 9.9 16.0 -18.3 9.4 51 51 A K S S- 0 0 76 -3,-0.5 -3,-0.1 1,-0.2 -4,-0.0 -0.206 82.4 -71.4 -68.6 171.6 17.1 -17.7 5.8 52 52 A S > - 0 0 58 1,-0.1 3,-1.3 2,-0.1 -1,-0.2 -0.319 49.1-118.7 -52.7 149.5 20.6 -17.6 4.6 53 53 A P T 3 S+ 0 0 128 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.929 111.8 22.7 -61.8 -48.3 22.3 -14.5 5.9 54 54 A D T 3 S+ 0 0 111 4,-0.1 -2,-0.1 5,-0.0 0, 0.0 -0.321 83.9 164.9-113.8 35.5 22.9 -13.1 2.4 55 55 A S X> - 0 0 1 -3,-1.3 4,-2.7 1,-0.2 3,-1.3 -0.543 41.8-133.6 -61.7 127.7 20.2 -15.0 0.6 56 56 A P T 34 S+ 0 0 110 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.538 104.9 46.1 -61.3 -8.0 19.9 -13.2 -2.7 57 57 A E T 34 S+ 0 0 100 2,-0.1 6,-0.3 3,-0.1 -2,-0.1 0.667 111.6 47.2 -98.7 -38.4 16.1 -13.3 -2.2 58 58 A M T X4 S+ 0 0 28 -3,-1.3 3,-1.7 2,-0.2 4,-0.4 0.835 111.7 51.5 -75.3 -42.6 15.9 -12.2 1.4 59 59 A K T 3< S+ 0 0 141 -4,-2.7 3,-0.2 1,-0.3 -1,-0.2 0.822 121.1 35.1 -60.2 -33.1 18.3 -9.4 0.6 60 60 A D T > S+ 0 0 60 -5,-0.4 3,-2.5 1,-0.1 -1,-0.3 -0.111 76.5 114.5-113.3 24.2 15.9 -8.6 -2.2 61 61 A F T X + 0 0 29 -3,-1.7 3,-2.4 1,-0.3 4,-0.4 0.884 66.5 82.7 -65.7 -28.2 12.7 -9.6 -0.3 62 62 A R T 3> + 0 0 112 -4,-0.4 4,-2.2 1,-0.3 -1,-0.3 0.533 62.6 90.0 -24.2 -26.6 12.5 -5.9 -0.9 63 63 A H H <> S+ 0 0 97 -3,-2.5 4,-2.5 -6,-0.3 -1,-0.3 0.829 87.0 48.9 -56.1 -35.7 11.2 -7.0 -4.4 64 64 A G H <> S+ 0 0 6 -3,-2.4 4,-2.9 2,-0.2 5,-0.3 0.875 109.9 48.6 -77.8 -39.8 7.7 -6.9 -3.0 65 65 A F H > S+ 0 0 27 -4,-0.4 4,-2.3 2,-0.2 5,-0.3 0.834 113.6 49.5 -61.7 -32.9 8.2 -3.5 -1.5 66 66 A D H X S+ 0 0 94 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.939 117.1 39.8 -72.6 -42.9 9.6 -2.4 -4.9 67 67 A I H X S+ 0 0 85 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.897 121.3 43.5 -70.5 -43.4 6.6 -3.9 -6.8 68 68 A L H X S+ 0 0 16 -4,-2.9 4,-2.0 2,-0.2 -3,-0.2 0.947 115.1 46.5 -71.3 -53.1 4.0 -2.7 -4.2 69 69 A V H X S+ 0 0 53 -4,-2.3 4,-1.9 -5,-0.3 -2,-0.2 0.874 110.8 56.3 -62.4 -32.0 5.4 0.7 -3.7 70 70 A G H X S+ 0 0 38 -4,-1.8 4,-2.1 -5,-0.3 3,-0.3 0.962 110.0 43.2 -59.1 -51.7 5.6 0.9 -7.5 71 71 A Q H X S+ 0 0 89 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.770 110.2 57.6 -68.7 -24.0 1.9 0.2 -7.8 72 72 A I H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.861 106.3 49.3 -70.0 -36.4 1.2 2.6 -4.9 73 73 A D H X S+ 0 0 85 -4,-1.9 4,-1.8 -3,-0.3 -2,-0.2 0.941 112.5 47.2 -68.8 -42.3 2.9 5.4 -6.9 74 74 A D H X S+ 0 0 98 -4,-2.1 4,-0.6 2,-0.2 -2,-0.2 0.937 112.7 49.0 -63.4 -44.5 0.8 4.5 -9.9 75 75 A A H >X S+ 0 0 1 -4,-2.4 4,-1.5 1,-0.3 3,-1.1 0.896 110.0 51.8 -62.4 -38.0 -2.4 4.4 -7.7 76 76 A L H 3X S+ 0 0 23 -4,-2.3 4,-2.5 1,-0.3 -1,-0.3 0.846 101.8 61.5 -66.6 -30.1 -1.3 7.8 -6.3 77 77 A K H 3< S+ 0 0 136 -4,-1.8 4,-0.5 2,-0.2 -1,-0.3 0.672 102.8 52.4 -69.6 -16.7 -1.0 9.0 -9.9 78 78 A L H XX>S+ 0 0 42 -3,-1.1 5,-2.4 -4,-0.6 4,-1.4 0.959 115.4 35.4 -82.5 -63.9 -4.7 8.3 -10.3 79 79 A A H 3<5S+ 0 0 2 -4,-1.5 5,-0.3 4,-0.4 -2,-0.2 0.858 113.6 59.5 -61.0 -35.6 -6.1 10.2 -7.4 80 80 A N T 3<5S+ 0 0 114 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.841 110.9 42.2 -62.8 -29.5 -3.5 12.9 -7.8 81 81 A E T <45S- 0 0 155 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.698 132.2 -99.4 -83.3 -20.5 -4.9 13.5 -11.2 82 82 A G T <5S+ 0 0 48 -4,-1.4 2,-1.4 -59,-0.1 3,-0.4 0.239 89.1 124.5 118.1 -4.7 -8.4 13.2 -9.7 83 83 A K >< + 0 0 104 -5,-2.4 4,-2.1 1,-0.2 -4,-0.4 -0.179 22.4 153.1 -75.8 44.9 -9.2 9.5 -10.6 84 84 A V H > S+ 0 0 23 -2,-1.4 4,-2.0 -5,-0.3 -1,-0.2 0.846 71.0 56.5 -38.6 -41.2 -9.8 8.8 -6.9 85 85 A K H > S+ 0 0 168 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.950 105.2 46.0 -57.0 -58.5 -12.1 6.0 -8.3 86 86 A E H > S+ 0 0 113 -3,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.815 110.5 56.4 -63.6 -27.7 -9.5 4.2 -10.3 87 87 A A H X S+ 0 0 0 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.942 108.9 45.5 -62.3 -48.4 -7.1 4.5 -7.3 88 88 A Q H X S+ 0 0 90 -4,-2.0 4,-0.7 2,-0.2 3,-0.3 0.912 113.5 50.7 -63.8 -39.7 -9.7 2.7 -5.1 89 89 A A H >< S+ 0 0 56 -4,-2.6 3,-1.5 1,-0.2 4,-0.5 0.958 110.9 47.1 -62.6 -52.5 -10.2 0.1 -7.9 90 90 A A H >X S+ 0 0 27 -4,-2.7 4,-1.2 1,-0.3 3,-0.6 0.684 94.2 78.2 -67.2 -14.3 -6.4 -0.5 -8.2 91 91 A A H 3X S+ 0 0 4 -4,-1.1 4,-0.9 -3,-0.3 3,-0.4 0.889 86.7 60.2 -61.6 -31.5 -6.3 -0.8 -4.4 92 92 A E H X< S+ 0 0 111 -3,-1.5 3,-0.6 -4,-0.7 4,-0.5 0.873 99.5 56.8 -61.1 -31.8 -7.7 -4.3 -4.9 93 93 A Q H X> S+ 0 0 113 -3,-0.6 3,-1.2 -4,-0.5 4,-0.9 0.869 98.9 58.5 -68.6 -31.0 -4.5 -5.0 -7.0 94 94 A L H 3X S+ 0 0 5 -4,-1.2 4,-1.2 -3,-0.4 -1,-0.2 0.817 95.6 67.0 -66.1 -23.4 -2.4 -4.0 -4.0 95 95 A K H >S+ 0 0 69 -3,-1.2 4,-1.6 -4,-0.5 5,-1.4 0.941 104.5 49.4 -68.4 -42.9 -2.6 -9.5 -4.3 97 97 A T H 3<5S+ 0 0 27 -4,-0.9 -2,-0.2 1,-0.3 -1,-0.2 0.825 114.2 45.7 -73.5 -19.0 0.8 -8.4 -3.2 98 98 A R H 3<5S+ 0 0 104 -4,-1.2 -1,-0.3 3,-0.2 -2,-0.2 0.537 127.3 29.7 -87.1 -10.3 -0.5 -8.6 0.4 99 99 A N H S+ 0 0 53 -6,-0.4 4,-2.1 1,-0.2 -1,-0.3 0.917 98.2 57.5 -61.9 -39.9 2.2 -12.8 1.8 103 103 A Q H < S+ 0 0 151 -4,-1.9 -1,-0.2 -3,-0.4 -2,-0.2 0.919 112.6 40.9 -57.2 -38.4 2.0 -16.6 1.1 104 104 A K H < S+ 0 0 129 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.943 136.0 16.8 -68.7 -40.8 5.7 -16.5 -0.1 105 105 A Y H < 0 0 52 -4,-2.4 -58,-0.4 -5,-0.1 -2,-0.2 0.031 360.0 360.0-132.3 22.8 6.9 -14.2 2.6 106 106 A R < 0 0 197 -4,-2.1 -3,-0.2 -59,-0.1 -4,-0.1 0.428 360.0 360.0-152.0 360.0 4.3 -14.1 5.4