==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 23-NOV-02 1N9C . COMPND 2 MOLECULE: CYTOCHROME C-553; . SOURCE 2 ORGANISM_SCIENTIFIC: SPOROSARCINA PASTEURII; . AUTHOR I.BARTALESI,I.BERTINI,A.ROSATO . 71 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4291.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 48 67.6 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 . 2 2.8 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 . 1 1.4 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 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 38.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.4 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 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 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 . 1 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 22 A V 0 0 99 0, 0.0 2,-0.7 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 132.7 -12.5 5.0 -0.5 2 23 A D > - 0 0 96 1,-0.2 4,-2.9 2,-0.1 5,-0.2 -0.542 360.0-159.0 -68.8 105.5 -12.1 1.8 -2.4 3 24 A A H > S+ 0 0 13 -2,-0.7 4,-2.8 2,-0.2 -1,-0.2 0.885 89.0 47.4 -56.7 -46.8 -8.9 0.4 -1.1 4 25 A E H > S+ 0 0 115 2,-0.2 4,-3.5 1,-0.2 -1,-0.2 0.956 112.1 50.9 -66.2 -44.3 -8.1 -1.8 -4.0 5 26 A A H 4 S+ 0 0 47 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.924 110.8 49.6 -56.5 -49.2 -9.0 1.0 -6.5 6 27 A V H >X>S+ 0 0 11 -4,-2.9 4,-2.4 2,-0.2 3,-2.2 0.969 116.0 41.9 -49.0 -55.8 -6.6 3.3 -4.6 7 28 A V H 3X>S+ 0 0 0 -4,-2.8 5,-2.3 1,-0.3 4,-2.1 0.953 111.6 55.3 -66.0 -43.2 -3.8 0.7 -4.7 8 29 A Q H 3<5S+ 0 0 79 -4,-3.5 -1,-0.3 1,-0.2 -2,-0.2 0.315 124.8 25.2 -62.4 1.3 -4.6 -0.2 -8.3 9 30 A Q H <45S+ 0 0 152 -3,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.451 128.9 36.6-142.7 -8.1 -4.2 3.6 -9.2 10 31 A K H <5S+ 0 0 100 -4,-2.4 -3,-0.2 -3,-0.4 -2,-0.2 0.594 127.7 25.8-116.0 -26.0 -1.8 5.2 -6.5 11 32 A C T >X< - 0 0 12 -4,-2.4 3,-2.1 -5,-0.4 5,-0.1 0.043 34.4 -68.1 90.8 155.5 3.4 -2.9 -10.6 17 38 A G T 3 S+ 0 0 42 1,-0.3 -1,-0.1 2,-0.1 -5,-0.1 0.855 136.8 34.0 -44.1 -56.2 -0.2 -3.9 -11.6 18 39 A D T 3 S- 0 0 128 -3,-0.1 -1,-0.3 -6,-0.1 -2,-0.1 0.410 110.7-118.2 -82.6 0.3 -0.4 -7.1 -9.3 19 40 A L S < S+ 0 0 4 -3,-2.1 9,-2.6 8,-0.1 8,-1.8 0.736 72.8 138.7 62.6 27.7 1.8 -5.3 -6.7 20 41 A T S S- 0 0 94 6,-0.2 6,-0.4 7,-0.2 -4,-0.2 0.459 78.6 -90.3 -78.6 -8.8 4.3 -8.1 -7.3 21 42 A G + 0 0 27 -6,-2.3 5,-0.3 4,-0.3 -5,-0.2 0.924 62.0 161.4 100.8 76.8 7.0 -5.5 -7.2 22 43 A A S S- 0 0 72 -7,-0.9 -7,-0.2 -8,-0.4 -6,-0.1 0.927 87.2 -3.7 -81.5 -85.3 8.1 -3.7 -10.4 23 44 A S S S+ 0 0 111 -9,-2.9 -8,-0.2 2,-0.1 -7,-0.1 0.301 143.7 38.1 -89.1 2.4 9.9 -0.4 -9.5 24 45 A A S S- 0 0 22 -10,-0.7 3,-0.1 -9,-0.1 -5,-0.0 -0.900 104.2 -80.1-144.6 162.6 9.2 -1.1 -5.8 25 46 A P - 0 0 96 0, 0.0 2,-0.4 0, 0.0 -4,-0.3 -0.183 61.1 -78.2 -67.5 164.9 9.2 -4.4 -3.7 26 47 A A + 0 0 53 -6,-0.4 -6,-0.2 -5,-0.3 -7,-0.1 -0.504 51.1 167.0 -64.9 119.3 6.3 -6.8 -3.8 27 48 A I > + 0 0 29 -8,-1.8 3,-1.8 -2,-0.4 4,-0.5 0.457 54.0 94.7-113.8 -0.6 3.5 -5.5 -1.5 28 49 A D T 3 S+ 0 0 33 -9,-2.6 3,-0.2 1,-0.3 -8,-0.1 0.855 102.2 33.8 -53.5 -31.3 0.7 -7.8 -2.6 29 50 A K T >> S+ 0 0 72 -10,-0.3 4,-2.1 1,-0.2 3,-1.8 0.213 85.0 108.8-103.9 6.0 1.8 -9.9 0.4 30 51 A A H <> S+ 0 0 5 -3,-1.8 4,-3.3 1,-0.3 -1,-0.2 0.869 75.5 61.0 -54.4 -31.2 2.8 -6.9 2.6 31 52 A G H 34 S+ 0 0 7 -4,-0.5 -1,-0.3 36,-0.5 5,-0.1 0.758 106.9 45.3 -61.7 -27.6 -0.3 -7.7 4.7 32 53 A A H <4 S+ 0 0 59 -3,-1.8 -2,-0.2 35,-0.1 -1,-0.2 0.873 120.5 38.7 -77.1 -43.5 1.3 -11.1 5.4 33 54 A N H < S+ 0 0 113 -4,-2.1 2,-0.3 -6,-0.1 -2,-0.2 0.896 127.2 19.7 -73.9 -45.8 4.7 -9.6 6.1 34 55 A Y S < S- 0 0 119 -4,-3.3 2,-0.2 -5,-0.2 -1,-0.1 -0.797 79.1-110.1-127.4 162.2 3.6 -6.5 8.0 35 56 A S > - 0 0 61 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.538 37.0-101.9 -94.0 162.1 0.4 -5.3 9.9 36 57 A E H > S+ 0 0 101 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.879 122.0 58.7 -50.6 -42.0 -2.0 -2.6 8.8 37 58 A E H > S+ 0 0 128 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.949 109.3 41.9 -49.5 -58.2 -0.3 -0.2 11.3 38 59 A E H > S+ 0 0 108 -3,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.921 118.6 45.2 -54.9 -51.1 3.1 -0.6 9.7 39 60 A I H X S+ 0 0 10 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.944 112.4 52.1 -64.6 -48.0 1.7 -0.4 6.1 40 61 A L H X S+ 0 0 43 -4,-3.5 4,-2.7 -5,-0.2 5,-0.2 0.931 111.3 46.4 -50.4 -55.4 -0.5 2.6 7.1 41 62 A D H X S+ 0 0 93 -4,-2.8 4,-3.1 -5,-0.2 5,-0.3 0.951 112.2 51.5 -57.9 -45.8 2.4 4.5 8.5 42 63 A I H X S+ 0 0 49 -4,-2.8 4,-2.3 1,-0.2 11,-0.3 0.905 110.3 48.5 -59.8 -41.8 4.5 3.6 5.4 43 64 A I H < S+ 0 0 13 -4,-2.9 10,-2.1 1,-0.2 11,-0.7 0.944 118.5 40.3 -60.8 -47.7 1.7 4.9 3.1 44 65 A L H < S+ 0 0 67 -4,-2.7 -2,-0.2 8,-0.2 -1,-0.2 0.841 131.3 26.2 -66.5 -37.1 1.4 8.1 5.1 45 66 A N H < S- 0 0 108 -4,-3.1 2,-0.3 1,-0.3 -3,-0.2 0.888 100.6-124.6 -97.6 -54.3 5.2 8.5 5.6 46 67 A G < - 0 0 14 -4,-2.3 -1,-0.3 -5,-0.3 2,-0.2 -0.814 9.1-121.4 127.8-169.6 7.1 6.8 2.8 47 68 A Q B > -A 50 0A 119 3,-0.9 3,-3.1 -2,-0.3 5,-0.1 -0.708 61.4 -53.3-170.6 122.2 9.8 4.1 2.6 48 69 A G T 3 S+ 0 0 78 1,-0.3 -1,-0.2 -2,-0.2 0, 0.0 -0.154 132.5 3.5 45.2-113.8 13.3 4.5 0.9 49 70 A G T 3 S+ 0 0 88 -3,-0.1 -1,-0.3 2,-0.0 -25,-0.0 0.597 107.6 108.3 -76.5 -14.6 12.6 5.8 -2.6 50 71 A M B < -A 47 0A 52 -3,-3.1 -3,-0.9 1,-0.1 -26,-0.0 -0.518 65.8-144.8 -66.8 130.0 8.8 6.0 -2.0 51 72 A P - 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.867 34.4-154.3 -65.2 -40.0 7.6 9.6 -1.8 52 73 A G + 0 0 17 -5,-0.1 -8,-0.2 -6,-0.1 -7,-0.2 0.068 66.4 71.1 80.7 162.7 5.0 8.8 0.9 53 74 A G + 0 0 21 -10,-2.1 -9,-0.2 -11,-0.3 -10,-0.1 0.643 57.8 134.9 66.2 17.6 1.7 10.6 1.7 54 75 A I S S+ 0 0 73 -11,-0.7 2,-0.3 1,-0.1 -10,-0.1 0.766 78.1 21.3 -61.2 -33.4 0.4 9.2 -1.6 55 76 A A S S- 0 0 1 -12,-0.5 2,-0.3 4,-0.0 -2,-0.2 -0.956 77.7-178.7-134.8 144.3 -2.8 8.3 0.3 56 77 A K > - 0 0 126 -2,-0.3 3,-1.4 -3,-0.0 -16,-0.0 -0.981 49.6 -9.3-147.4 158.0 -4.0 9.8 3.6 57 78 A G T >> S+ 0 0 35 -2,-0.3 4,-3.0 1,-0.3 3,-0.5 -0.265 134.8 4.4 52.0-137.3 -6.9 9.3 6.1 58 79 A A H 3> S+ 0 0 55 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.764 134.7 56.3 -45.1 -40.1 -9.6 7.0 4.6 59 80 A E H <> S+ 0 0 70 -3,-1.4 4,-2.9 2,-0.2 -1,-0.3 0.981 116.1 33.6 -53.0 -62.9 -7.4 6.4 1.5 60 81 A A H <> S+ 0 0 0 -3,-0.5 4,-3.2 2,-0.2 -2,-0.2 0.874 119.7 52.0 -67.9 -38.8 -4.4 5.2 3.6 61 82 A E H X S+ 0 0 109 -4,-3.0 4,-2.8 2,-0.2 5,-0.3 0.967 113.1 44.1 -58.6 -55.1 -6.6 3.5 6.2 62 83 A A H X S+ 0 0 24 -4,-2.8 4,-2.9 -5,-0.3 5,-0.3 0.941 115.1 50.6 -57.2 -50.6 -8.6 1.6 3.6 63 84 A V H X S+ 0 0 1 -4,-2.9 4,-3.2 -5,-0.3 -2,-0.2 0.961 112.8 44.5 -45.3 -66.9 -5.3 0.8 1.8 64 85 A A H X S+ 0 0 0 -4,-3.2 4,-3.0 1,-0.2 5,-0.2 0.902 115.9 46.2 -54.0 -48.8 -3.6 -0.6 4.9 65 86 A A H X S+ 0 0 40 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.956 115.8 45.6 -58.2 -53.4 -6.7 -2.6 6.1 66 87 A W H X S+ 0 0 37 -4,-2.9 4,-1.4 -5,-0.3 -2,-0.2 0.899 112.5 52.3 -55.1 -43.2 -7.3 -4.0 2.6 67 88 A L H >< S+ 0 0 5 -4,-3.2 3,-0.8 -5,-0.3 -36,-0.5 0.957 109.2 48.3 -61.5 -49.8 -3.5 -4.8 2.3 68 89 A A H >< S+ 0 0 17 -4,-3.0 3,-0.9 1,-0.3 -1,-0.2 0.884 113.7 48.7 -52.9 -40.6 -3.6 -6.6 5.7 69 90 A E H 3< S+ 0 0 145 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.724 99.2 68.7 -73.9 -18.7 -6.7 -8.5 4.3 70 91 A K T << 0 0 70 -4,-1.4 -1,-0.2 -3,-0.8 -2,-0.2 0.581 360.0 360.0 -71.9 -13.1 -4.8 -9.2 1.0 71 92 A K < 0 0 165 -3,-0.9 -42,-0.1 -4,-0.4 -41,-0.1 -0.131 360.0 360.0 -73.3 360.0 -2.5 -11.6 2.8