==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 03-OCT-01 1K3H . COMPND 2 MOLECULE: CYTOCHROME C-553; . SOURCE 2 ORGANISM_SCIENTIFIC: SPOROSARCINA PASTEURII; . AUTHOR L.BANCI,I.BERTINI,S.CIURLI,A.DIKIY,J.DITTMER,A.ROSATO, . 71 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4417.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 49 69.0 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 . 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 . 1 1.4 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 . 26 36.6 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 1 0 0 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 0 107 0, 0.0 2,-1.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 146.8 10.6 -1.0 -9.3 2 23 A D > - 0 0 121 1,-0.2 4,-2.8 2,-0.1 5,-0.2 -0.555 360.0-166.2 -74.5 96.5 7.4 0.4 -10.8 3 24 A A H > S+ 0 0 11 -2,-1.2 4,-3.0 1,-0.2 -1,-0.2 0.884 88.3 48.8 -44.0 -51.5 5.4 1.3 -7.8 4 25 A E H > S+ 0 0 119 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.932 110.8 49.4 -62.8 -46.8 2.2 1.7 -9.9 5 26 A A H > S+ 0 0 57 2,-0.2 4,-0.7 1,-0.2 -2,-0.2 0.925 113.1 47.7 -58.5 -46.9 2.7 -1.7 -11.6 6 27 A V H >< S+ 0 0 12 -4,-2.8 3,-1.9 2,-0.2 5,-0.4 0.963 112.7 48.1 -55.8 -54.8 3.2 -3.4 -8.2 7 28 A V H >X>S+ 0 0 1 -4,-3.0 5,-2.3 1,-0.3 3,-1.7 0.925 106.5 57.6 -52.8 -48.9 0.2 -1.6 -6.8 8 29 A Q H 3<5S+ 0 0 107 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.638 118.7 32.9 -54.5 -21.3 -1.8 -2.7 -9.8 9 30 A Q T <<5S+ 0 0 165 -3,-1.9 -1,-0.3 -4,-0.7 -2,-0.2 -0.101 133.3 20.5-135.0 42.6 -0.9 -6.3 -9.0 10 31 A K T <45S+ 0 0 69 -3,-1.7 -3,-0.2 45,-0.0 -2,-0.2 0.246 125.8 34.1-161.6 -43.1 -0.7 -6.4 -5.2 11 32 A C T >X5S+ 0 0 15 -4,-1.5 4,-2.7 -5,-0.4 3,-2.5 0.914 109.5 56.9 -91.3 -50.1 -2.6 -3.6 -3.5 12 33 A I H 3>< - 0 0 12 -4,-2.3 3,-2.4 -5,-0.3 5,-0.2 0.250 33.0 -75.0 83.3 150.3 -9.6 -1.4 -5.6 17 38 A G T 3 S+ 0 0 40 1,-0.3 -1,-0.2 -5,-0.1 -5,-0.1 0.746 135.0 42.2 -41.0 -35.1 -8.2 -0.4 -9.0 18 39 A D T 3 S- 0 0 124 3,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.331 107.4-118.3-105.9 0.6 -8.3 3.2 -7.9 19 40 A L S < S+ 0 0 8 -3,-2.4 9,-2.5 1,-0.1 8,-1.3 0.612 83.3 121.6 70.2 11.2 -7.0 2.9 -4.2 20 41 A T S S- 0 0 91 1,-0.3 6,-0.4 6,-0.2 -4,-0.2 0.475 82.2-100.9 -81.4 -11.7 -10.5 4.3 -3.3 21 42 A G + 0 0 21 -6,-2.5 -1,-0.3 4,-0.3 -6,-0.2 -0.039 54.4 162.5 97.7 156.7 -11.1 1.2 -1.2 22 43 A A S S+ 0 0 76 2,-2.2 -7,-0.2 -8,-0.3 -8,-0.1 -0.102 87.5 4.3-165.1 -82.3 -13.1 -2.0 -2.0 23 44 A S S S+ 0 0 110 -9,-2.6 -8,-0.2 2,-0.1 -9,-0.1 0.308 142.0 36.1 -92.8 1.8 -12.4 -5.0 0.2 24 45 A A S S- 0 0 23 -10,-1.0 -2,-2.2 1,-0.0 3,-0.1 -0.924 101.5 -84.3-147.6 159.9 -10.0 -2.7 2.1 25 46 A P - 0 0 102 0, 0.0 2,-0.3 0, 0.0 -4,-0.3 -0.147 60.2 -78.7 -67.1 166.5 -10.1 1.1 3.1 26 47 A A + 0 0 58 -6,-0.4 -6,-0.2 1,-0.1 3,-0.1 -0.534 43.0 174.5 -74.7 125.7 -8.9 3.8 0.8 27 48 A I > + 0 0 30 -8,-1.3 3,-2.6 -2,-0.3 4,-0.4 0.359 49.6 109.9-109.1 0.3 -5.1 4.2 0.6 28 49 A D T 3 S+ 0 0 50 -9,-2.5 3,-0.2 1,-0.3 -1,-0.1 0.814 94.5 27.4 -38.7 -43.1 -5.2 6.8 -2.2 29 50 A K T >> S+ 0 0 116 -10,-0.2 3,-1.2 42,-0.2 4,-1.0 -0.156 78.4 125.9-121.4 34.6 -4.1 9.4 0.3 30 51 A A H X> S+ 0 0 9 -3,-2.6 4,-3.1 1,-0.3 3,-1.4 0.933 72.5 64.2 -52.8 -43.0 -2.2 7.2 2.7 31 52 A G H 34 S+ 0 0 14 36,-0.9 -1,-0.3 39,-0.8 40,-0.2 0.720 99.1 52.0 -54.5 -27.9 0.7 9.6 2.1 32 53 A A H <4 S+ 0 0 65 -3,-1.2 -1,-0.3 38,-0.4 -2,-0.2 0.779 118.8 36.3 -76.8 -29.4 -1.4 12.4 3.8 33 54 A N H << S+ 0 0 103 -3,-1.4 2,-0.3 -4,-1.0 -2,-0.2 0.858 127.7 18.2 -87.8 -44.9 -2.0 10.2 6.9 34 55 A Y S < S- 0 0 98 -4,-3.1 -1,-0.3 -5,-0.1 2,-0.1 -0.954 76.2-116.6-137.5 144.5 1.3 8.3 7.2 35 56 A S >> - 0 0 67 -2,-0.3 4,-2.8 -3,-0.1 3,-0.6 -0.366 41.0 -95.4 -80.5 166.0 4.8 8.8 5.9 36 57 A E H 3> S+ 0 0 101 1,-0.3 4,-3.2 2,-0.2 5,-0.2 0.864 126.2 55.1 -47.7 -45.4 6.7 6.4 3.6 37 58 A E H 3> S+ 0 0 160 2,-0.2 4,-2.8 1,-0.2 -1,-0.3 0.923 112.4 42.0 -52.2 -49.6 8.3 4.7 6.6 38 59 A E H <> S+ 0 0 108 -3,-0.6 4,-2.8 2,-0.2 -2,-0.2 0.918 115.9 48.0 -69.7 -43.7 4.9 4.1 8.2 39 60 A I H X S+ 0 0 10 -4,-2.8 4,-3.0 2,-0.2 -2,-0.2 0.926 113.0 49.6 -61.1 -44.9 3.3 3.0 5.0 40 61 A L H X S+ 0 0 41 -4,-3.2 4,-3.0 -5,-0.3 -2,-0.2 0.943 108.9 52.6 -58.8 -50.2 6.3 0.7 4.3 41 62 A D H X S+ 0 0 88 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.952 110.6 47.3 -51.1 -53.0 6.0 -0.7 7.8 42 63 A I H X S+ 0 0 34 -4,-2.8 4,-0.9 1,-0.2 11,-0.2 0.939 111.8 50.1 -56.8 -49.1 2.3 -1.5 7.2 43 64 A I H < S+ 0 0 14 -4,-3.0 10,-2.4 1,-0.2 11,-1.0 0.935 118.8 39.7 -53.2 -45.9 3.1 -3.1 3.8 44 65 A L H < S+ 0 0 66 -4,-3.0 -2,-0.2 8,-0.2 -1,-0.2 0.821 129.1 29.1 -70.3 -34.1 5.8 -5.2 5.5 45 66 A N H < S- 0 0 107 -4,-2.8 7,-0.3 1,-0.3 -1,-0.2 0.066 97.1-145.7-121.6 20.3 3.9 -6.0 8.7 46 67 A G < - 0 0 6 -4,-0.9 -1,-0.3 -3,-0.5 2,-0.2 0.008 14.6-124.7 26.7-141.7 0.4 -5.9 7.2 47 68 A Q B > -A 50 0A 120 3,-2.6 3,-2.7 1,-0.2 -1,-0.1 -0.641 51.0 -39.2 175.3 130.0 -2.4 -4.6 9.6 48 69 A G T 3 S+ 0 0 84 1,-0.3 -1,-0.2 -2,-0.2 0, 0.0 -0.212 135.9 2.9 46.6-113.9 -5.8 -6.0 10.9 49 70 A G T 3 S+ 0 0 88 -3,-0.1 -1,-0.3 2,-0.1 -3,-0.0 0.765 118.1 93.1 -69.4 -26.2 -7.4 -7.7 7.8 50 71 A M B < S-A 47 0A 50 -3,-2.7 -3,-2.6 1,-0.0 2,-0.2 -0.591 72.4-139.6 -73.6 123.5 -4.2 -7.0 5.7 51 72 A P - 0 0 85 0, 0.0 3,-0.5 0, 0.0 -5,-0.3 -0.537 27.1-112.2 -79.8 145.7 -1.5 -9.7 5.7 52 73 A G S S+ 0 0 46 -7,-0.3 -8,-0.2 1,-0.2 -7,-0.2 -0.437 88.1 28.3 -85.4 153.5 2.1 -8.5 5.8 53 74 A G + 0 0 18 -10,-2.4 -1,-0.2 -11,-0.2 -9,-0.2 0.781 64.5 149.9 72.0 30.8 4.9 -8.6 3.2 54 75 A I S S+ 0 0 59 -11,-1.0 2,-0.3 -3,-0.5 -2,-0.1 0.972 81.8 15.6 -54.2 -61.3 2.4 -8.5 0.4 55 76 A A S S- 0 0 2 -12,-0.2 2,-0.3 4,-0.1 -2,-0.1 -0.716 88.6-164.2 -91.9 164.4 5.1 -6.6 -1.6 56 77 A K > - 0 0 143 -2,-0.3 3,-1.3 -3,-0.0 4,-0.5 -0.972 41.7 -6.7-145.1 163.0 8.7 -6.8 -0.3 57 78 A G T 3> S- 0 0 41 -2,-0.3 4,-2.7 1,-0.3 3,-0.4 -0.156 128.9 -5.5 56.4-143.7 12.1 -5.0 -0.7 58 79 A A H 3> S+ 0 0 53 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.767 135.2 62.0 -52.2 -31.6 12.3 -2.3 -3.5 59 80 A E H <> S+ 0 0 49 -3,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.986 111.4 35.8 -53.7 -61.4 8.8 -3.4 -4.5 60 81 A A H > S+ 0 0 0 -4,-0.5 4,-3.1 -3,-0.4 -2,-0.2 0.921 118.0 52.2 -60.4 -49.3 7.4 -2.3 -1.1 61 82 A E H X S+ 0 0 109 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.928 110.3 47.7 -55.3 -51.4 9.8 0.7 -0.8 62 83 A A H X S+ 0 0 24 -4,-2.8 4,-2.9 -5,-0.2 5,-0.2 0.941 114.2 47.1 -57.1 -50.4 8.8 2.0 -4.2 63 84 A V H X S+ 0 0 1 -4,-2.3 4,-3.2 -5,-0.2 5,-0.2 0.954 113.1 48.3 -55.7 -55.7 5.1 1.6 -3.4 64 85 A A H X S+ 0 0 2 -4,-3.1 4,-2.4 2,-0.2 -2,-0.2 0.923 114.9 45.2 -49.1 -53.0 5.4 3.3 -0.0 65 86 A A H X S+ 0 0 53 -4,-2.9 4,-1.7 2,-0.2 -2,-0.2 0.942 113.8 48.7 -59.0 -50.9 7.4 6.2 -1.5 66 87 A W H X S+ 0 0 50 -4,-2.9 4,-1.5 1,-0.2 3,-0.3 0.933 113.0 48.0 -57.1 -47.8 5.0 6.6 -4.4 67 88 A L H < S+ 0 0 4 -4,-3.2 -36,-0.9 2,-0.2 -1,-0.2 0.854 102.3 63.0 -62.0 -35.3 2.0 6.5 -2.0 68 89 A A H < S+ 0 0 16 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.905 106.7 46.3 -53.3 -41.6 3.8 9.1 0.2 69 90 A E H < S+ 0 0 159 -4,-1.7 2,-0.3 -3,-0.3 -2,-0.2 0.862 96.4 89.0 -64.1 -39.2 3.4 11.3 -2.9 70 91 A K < 0 0 57 -4,-1.5 -39,-0.8 1,-0.2 -38,-0.4 -0.487 360.0 360.0 -74.4 127.1 -0.3 10.3 -3.3 71 92 A K 0 0 174 -2,-0.3 -1,-0.2 -40,-0.2 -42,-0.2 0.302 360.0 360.0-151.0 360.0 -2.6 12.6 -1.3