==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 20-JUN-02 1M1Q . COMPND 2 MOLECULE: SMALL TETRAHEME CYTOCHROME C; . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA ONEIDENSIS MR-1; . AUTHOR D.LEYS,T.E.MEYER,A.I.TSAPIN,K.H.NEALSON,M.A.CUSANOVICH, . 90 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6597.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 48 53.3 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 2.2 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 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 22.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 25.6 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+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 1 1 0 0 0 0 1 0 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 2 A D 0 0 124 0, 0.0 2,-0.3 0, 0.0 66,-0.0 0.000 360.0 360.0 360.0 146.7 -12.1 28.2 9.6 2 3 A Q - 0 0 87 66,-0.2 66,-3.4 4,-0.0 2,-0.1 -0.997 360.0-119.4-136.5 134.6 -9.6 26.4 7.2 3 4 A K B > -A 67 0A 69 -2,-0.3 4,-2.3 64,-0.3 64,-0.3 -0.421 24.5-121.9 -72.5 153.9 -8.3 22.9 7.4 4 5 A L H > S+ 0 0 31 62,-2.6 4,-2.1 59,-0.3 60,-0.2 0.873 113.1 56.3 -60.6 -35.6 -4.6 22.6 7.8 5 6 A S H > S+ 0 0 16 58,-2.5 4,-2.5 61,-0.3 -1,-0.2 0.925 108.3 47.4 -61.0 -44.0 -4.4 20.5 4.6 6 7 A D H > S+ 0 0 81 57,-0.3 4,-1.3 2,-0.2 -2,-0.2 0.902 108.0 55.5 -67.2 -40.0 -6.1 23.3 2.6 7 8 A F H >< S+ 0 0 113 -4,-2.3 3,-0.5 1,-0.2 4,-0.4 0.934 111.9 43.3 -56.8 -49.3 -3.8 25.9 4.1 8 9 A H H >< S+ 0 0 62 -4,-2.1 3,-1.9 1,-0.2 5,-0.3 0.902 106.7 60.7 -65.2 -40.6 -0.7 23.9 2.9 9 10 A A H >X S+ 0 0 32 -4,-2.5 4,-2.3 1,-0.3 3,-0.6 0.767 93.5 64.7 -62.2 -25.1 -2.2 23.2 -0.5 10 11 A E T << S+ 0 0 92 -4,-1.3 2,-0.3 -3,-0.5 -1,-0.3 0.735 106.4 46.2 -63.4 -24.2 -2.5 26.9 -1.2 11 12 A S T <4 S- 0 0 97 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.1 -0.636 140.0 -7.4-119.2 69.7 1.4 27.0 -1.1 12 13 A G T <4 S- 0 0 43 -3,-0.6 3,-0.2 -2,-0.3 -3,-0.2 0.313 98.0-112.5 124.1 -4.2 2.4 24.0 -3.2 13 14 A G >< - 0 0 20 -4,-2.3 3,-1.9 -5,-0.3 4,-0.3 -0.045 57.2 -52.9 78.7 177.4 -0.9 22.1 -4.1 14 15 A C G >> S+ 0 0 77 1,-0.3 4,-2.1 2,-0.2 3,-1.5 0.823 134.9 69.7 -59.7 -29.7 -1.9 18.7 -2.9 15 16 A E G 34 S+ 0 0 120 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.2 0.553 74.6 82.9 -70.0 -5.8 1.5 17.6 -4.2 16 17 A S G <4 S+ 0 0 40 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.829 117.4 8.4 -60.5 -34.0 3.2 19.5 -1.4 17 18 A C T <4 S+ 0 0 40 -3,-1.5 2,-0.4 -4,-0.3 16,-0.2 0.611 126.1 59.5-115.4 -26.9 2.5 16.4 0.7 18 19 A H S >< S- 0 0 32 -4,-2.1 3,-2.5 -5,-0.1 -1,-0.2 -0.940 81.7-113.5-118.2 133.0 1.3 13.7 -1.6 19 20 A K G > S- 0 0 123 -2,-0.4 3,-2.2 3,-0.3 -3,-0.1 -0.404 106.4 -6.5 -58.2 125.8 2.9 12.1 -4.6 20 21 A D G 3 S- 0 0 134 1,-0.3 -1,-0.3 -2,-0.2 -5,-0.1 0.772 124.9 -72.2 58.5 22.2 0.8 13.1 -7.7 21 22 A G G < S+ 0 0 26 -3,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.617 110.2 118.3 68.3 14.2 -1.6 14.7 -5.2 22 23 A T < - 0 0 86 -3,-2.2 -3,-0.3 -7,-0.1 -1,-0.2 -0.931 67.1-112.6-120.0 132.8 -2.7 11.2 -4.2 23 24 A P - 0 0 91 0, 0.0 2,-0.1 0, 0.0 -5,-0.1 -0.323 24.5-130.6 -68.6 146.6 -2.3 9.7 -0.7 24 25 A S - 0 0 47 1,-0.1 -6,-0.0 -2,-0.1 0, 0.0 -0.423 13.0-128.3 -78.6 162.4 0.0 6.8 -0.0 25 26 A A S S+ 0 0 108 1,-0.1 -1,-0.1 -2,-0.1 0, 0.0 0.871 105.5 41.7 -72.6 -40.7 -1.1 3.7 1.9 26 27 A D S S- 0 0 157 1,-0.0 -1,-0.1 -3,-0.0 0, 0.0 0.617 93.3-135.4 -83.9 -35.5 1.7 3.8 4.4 27 28 A G S > S+ 0 0 28 1,-0.0 4,-2.4 3,-0.0 5,-0.2 0.407 74.0 114.5 80.0 1.0 1.9 7.5 5.2 28 29 A A H > S+ 0 0 60 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.914 72.0 51.9 -68.9 -41.5 5.7 7.4 5.0 29 30 A F H > S+ 0 0 85 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.944 112.0 46.9 -56.8 -50.8 6.0 9.6 1.9 30 31 A E H > S+ 0 0 27 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.909 109.3 53.3 -62.1 -43.5 3.8 12.3 3.6 31 32 A F H X S+ 0 0 47 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.902 108.2 51.5 -57.5 -42.1 5.8 12.1 6.9 32 33 A A H X S+ 0 0 54 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.896 109.0 51.1 -61.0 -41.3 9.0 12.7 4.9 33 34 A Q H X S+ 0 0 55 -4,-2.0 4,-1.1 -16,-0.2 5,-0.3 0.939 107.9 51.3 -62.6 -45.5 7.3 15.7 3.3 34 35 A C H >X S+ 0 0 37 -4,-2.6 4,-2.5 1,-0.2 3,-0.6 0.930 113.5 45.5 -56.1 -45.6 6.3 17.2 6.6 35 36 A Q H 3X S+ 0 0 58 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.808 100.1 68.7 -68.4 -30.0 9.9 16.8 7.9 36 37 A S H 3< S+ 0 0 82 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.858 116.8 23.9 -58.9 -32.2 11.4 18.2 4.7 37 38 A C H << S+ 0 0 103 -4,-1.1 -2,-0.2 -3,-0.6 -1,-0.2 0.809 134.0 33.6 -96.3 -43.0 10.0 21.6 5.6 38 39 A H H < S- 0 0 122 -4,-2.5 -3,-0.2 1,-0.3 -2,-0.2 0.584 97.7-134.4 -97.7 -10.1 9.6 21.5 9.4 39 40 A G < - 0 0 32 -4,-2.3 -1,-0.3 -5,-0.2 2,-0.2 -0.348 40.9 -33.8 82.6-167.1 12.5 19.4 10.5 40 41 A K > - 0 0 49 -2,-0.1 3,-1.8 1,-0.1 4,-0.2 -0.561 45.3-119.9 -95.4 153.9 12.6 16.5 12.9 41 42 A L G > S+ 0 0 15 1,-0.3 3,-1.9 -2,-0.2 11,-0.1 0.846 111.6 64.1 -55.3 -39.0 10.7 15.8 16.1 42 43 A S G 3 S+ 0 0 62 1,-0.3 -1,-0.3 6,-0.1 7,-0.1 0.676 101.6 50.2 -64.5 -19.5 14.0 15.7 18.0 43 44 A E G < S+ 0 0 104 -3,-1.8 -1,-0.3 5,-0.0 -2,-0.2 0.288 101.3 82.6-101.5 10.8 14.6 19.4 17.2 44 45 A M S < S- 0 0 52 -3,-1.9 5,-0.1 1,-0.2 -3,-0.0 -0.238 87.3 -67.5-104.3-169.3 11.1 20.5 18.3 45 46 A D >> - 0 0 72 -2,-0.1 4,-2.8 1,-0.1 3,-0.8 0.013 57.9 -83.7 -78.1-174.8 9.6 21.4 21.7 46 47 A A T 34 S+ 0 0 42 1,-0.3 -1,-0.1 2,-0.2 42,-0.1 0.706 127.0 56.5 -68.4 -23.0 8.9 19.2 24.7 47 48 A V T 34 S+ 0 0 39 2,-0.1 -1,-0.3 1,-0.1 4,-0.1 0.852 117.8 35.5 -66.5 -39.7 5.5 17.9 23.3 48 49 A H T X4 S+ 0 0 49 -3,-0.8 3,-2.1 1,-0.1 4,-0.3 0.912 102.0 70.0 -83.3 -48.2 7.3 16.7 20.1 49 50 A K G >< S+ 0 0 118 -4,-2.8 3,-1.8 1,-0.3 -3,-0.1 0.804 93.8 53.0 -46.4 -49.7 10.7 15.5 21.3 50 51 A P G 3 S+ 0 0 83 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.646 103.5 61.5 -72.0 -5.6 9.7 12.3 23.2 51 52 A H G X> S+ 0 0 42 -3,-2.1 3,-2.4 -4,-0.1 4,-2.3 0.493 72.9 123.1 -92.3 -3.5 7.8 11.1 20.1 52 53 A D T <4 S+ 0 0 75 -3,-1.8 4,-0.1 -4,-0.3 -12,-0.0 -0.352 84.2 9.4 -61.6 125.1 10.9 11.1 17.9 53 54 A G T 34 S+ 0 0 80 2,-0.4 -1,-0.3 -2,-0.1 3,-0.1 0.420 127.0 61.0 85.4 -7.7 11.2 7.6 16.5 54 55 A N T <4 S+ 0 0 99 -3,-2.4 2,-0.3 1,-0.3 -2,-0.2 0.622 101.2 37.0-121.9 -27.7 7.8 6.4 17.7 55 56 A L < - 0 0 45 -4,-2.3 -2,-0.4 3,-0.0 -1,-0.3 -0.919 62.1-140.9-121.7 156.5 5.2 8.7 16.0 56 57 A V > - 0 0 47 -2,-0.3 3,-1.9 -3,-0.1 4,-0.4 -0.704 38.9-104.0-100.1 163.0 4.8 10.3 12.6 57 58 A C G >> S+ 0 0 30 1,-0.3 4,-2.8 -2,-0.3 3,-1.9 0.894 118.7 60.5 -55.7 -40.7 3.4 13.8 12.5 58 59 A A G 34 S+ 0 0 70 1,-0.3 -1,-0.3 2,-0.2 -31,-0.0 0.617 84.9 77.1 -67.1 -13.0 -0.0 12.6 11.3 59 60 A D G <4 S+ 0 0 96 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.749 119.0 13.3 -67.9 -21.7 -0.5 10.5 14.5 60 61 A C T <4 S+ 0 0 51 -3,-1.9 2,-1.1 -4,-0.4 -2,-0.2 0.684 122.4 63.0-113.7 -48.8 -1.3 13.8 16.2 61 62 A H < - 0 0 60 -4,-2.8 2,-1.3 11,-0.1 -1,-0.2 -0.749 60.2-172.0 -87.0 99.6 -1.9 16.4 13.4 62 63 A A >> - 0 0 37 -2,-1.1 4,-2.6 1,-0.2 3,-0.8 -0.752 11.7-171.1 -89.7 89.7 -4.9 15.1 11.4 63 64 A V T 34 S+ 0 0 53 -2,-1.3 -58,-2.5 1,-0.3 -59,-0.3 0.769 77.3 44.8 -69.0 -24.4 -4.4 17.7 8.8 64 65 A H T 34 S+ 0 0 119 -60,-0.2 -1,-0.3 -59,-0.1 -61,-0.1 0.685 120.4 40.4 -81.0 -28.5 -7.6 17.2 6.9 65 66 A D T <4 S+ 0 0 90 -3,-0.8 2,-0.4 2,-0.1 -2,-0.2 0.674 105.7 73.0 -87.7 -29.7 -9.7 16.9 10.0 66 67 A M S < S- 0 0 29 -4,-2.6 -62,-2.6 4,-0.1 -61,-0.3 -0.721 73.7-129.4-101.7 136.1 -8.2 19.7 12.0 67 68 A N B > -A 3 0A 59 -2,-0.4 3,-2.3 -64,-0.3 -64,-0.3 -0.467 40.1 -87.4 -64.1 151.5 -8.4 23.5 11.6 68 69 A V T 3 S+ 0 0 68 -66,-3.4 -66,-0.2 1,-0.3 -1,-0.1 -0.454 121.1 25.4 -53.3 131.1 -5.5 25.8 11.4 69 70 A G T 3 S+ 0 0 71 1,-0.3 2,-0.4 -2,-0.1 -1,-0.3 0.137 89.3 127.8 96.1 -23.6 -4.9 26.7 15.0 70 71 A Q < - 0 0 89 -3,-2.3 -1,-0.3 1,-0.0 -4,-0.1 -0.618 51.2-143.3 -73.1 125.4 -6.4 23.5 16.5 71 72 A K - 0 0 149 -2,-0.4 -4,-0.0 -3,-0.1 13,-0.0 -0.771 15.2-118.6 -91.6 130.2 -4.1 21.8 18.9 72 73 A P - 0 0 26 0, 0.0 12,-0.2 0, 0.0 2,-0.2 -0.320 29.8-141.1 -56.7 145.6 -3.9 18.0 19.0 73 74 A T - 0 0 93 -13,-0.2 3,-0.1 10,-0.1 10,-0.1 -0.505 4.6-133.8-104.9-178.2 -4.9 16.5 22.4 74 75 A C S >> S+ 0 0 27 8,-0.4 4,-1.6 -2,-0.2 3,-1.5 0.516 73.6 95.1-120.8 -10.3 -3.4 13.6 24.2 75 76 A E T 34 S+ 0 0 133 1,-0.3 -1,-0.1 2,-0.2 8,-0.0 0.632 72.1 72.4 -71.3 -17.0 -6.1 11.3 25.6 76 77 A S T 34 S+ 0 0 96 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.757 118.6 15.7 -67.0 -21.8 -6.1 8.9 22.6 77 78 A C T <4 S+ 0 0 101 -3,-1.5 2,-0.4 1,-0.2 -2,-0.2 0.520 122.0 55.6-127.7 -15.4 -2.7 7.5 23.7 78 79 A H < - 0 0 62 -4,-1.6 3,-0.2 4,-0.1 -1,-0.2 -0.966 55.1-162.2-127.7 144.1 -2.0 8.6 27.3 79 80 A D S S+ 0 0 171 -2,-0.4 -4,-0.1 1,-0.2 -1,-0.1 0.346 72.6 82.3-108.9 3.3 -4.4 7.9 30.3 80 81 A D S S- 0 0 100 2,-0.0 -1,-0.2 1,-0.0 -5,-0.1 0.334 101.4-109.9 -92.3 2.0 -3.1 10.5 32.9 81 82 A G + 0 0 64 -3,-0.2 -6,-0.1 1,-0.2 -2,-0.1 0.589 58.8 166.0 80.9 12.6 -5.0 13.6 31.6 82 83 A R - 0 0 91 -8,-0.1 -8,-0.4 4,-0.1 2,-0.3 -0.228 14.8-167.6 -60.8 155.2 -1.8 15.3 30.3 83 84 A T > - 0 0 64 -10,-0.1 4,-1.7 -9,-0.1 5,-0.2 -0.830 39.5-103.5-129.7 169.2 -2.1 18.2 27.9 84 85 A S H > S+ 0 0 30 -2,-0.3 4,-3.2 -12,-0.2 5,-0.3 0.934 124.4 53.1 -63.9 -40.0 0.3 20.1 25.7 85 86 A A H > S+ 0 0 63 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.878 103.9 52.8 -61.6 -40.9 0.3 22.8 28.3 86 87 A S H 4 S+ 0 0 62 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.838 117.8 39.0 -70.3 -30.0 1.1 20.4 31.2 87 88 A V H >< S+ 0 0 41 -4,-1.7 3,-1.4 -3,-0.3 -2,-0.2 0.845 114.8 50.2 -85.7 -43.8 4.1 19.2 29.3 88 89 A L H 3< S+ 0 0 75 -4,-3.2 -3,-0.2 1,-0.3 -2,-0.2 0.897 122.0 34.0 -57.4 -35.9 5.3 22.5 27.8 89 90 A K T 3< 0 0 185 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.1 0.021 360.0 360.0-116.3 37.8 5.2 24.3 31.0 90 91 A K < 0 0 231 -3,-1.4 -3,-0.1 0, 0.0 -4,-0.1 -0.341 360.0 360.0 -59.4 360.0 6.2 21.2 33.1