==== 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 1M1R . COMPND 2 MOLECULE: SMALL TETRAHEME CYTOCHROME C; . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA ONEIDENSIS; . AUTHOR D.LEYS,T.E.MEYER,A.I.TSAPIN,K.H.NEALSON,M.A.CUSANOVICH, . 91 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6721.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 47 51.6 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 2.2 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 . 19 20.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 25.3 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 1 A A 0 0 148 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.0 -13.6 30.9 6.0 2 2 A D - 0 0 76 1,-0.1 2,-0.5 66,-0.0 66,-0.0 -0.289 360.0-160.5 -57.8 131.1 -12.6 28.0 8.4 3 3 A Q - 0 0 70 66,-0.1 66,-2.9 -2,-0.1 2,-0.1 -0.916 11.9-135.8-120.0 132.1 -9.6 26.3 6.8 4 4 A K B > -A 68 0A 84 -2,-0.5 4,-2.4 64,-0.3 64,-0.3 -0.398 27.2-115.4 -75.3 156.8 -8.2 22.9 7.4 5 5 A L H > S+ 0 0 30 62,-2.7 4,-2.3 59,-0.3 5,-0.2 0.891 116.4 55.5 -57.1 -37.3 -4.5 22.5 7.7 6 6 A S H > S+ 0 0 16 58,-2.6 4,-2.4 61,-0.3 -1,-0.2 0.948 109.5 46.6 -59.2 -43.9 -4.4 20.4 4.6 7 7 A D H > S+ 0 0 71 57,-0.3 4,-1.4 2,-0.2 -2,-0.2 0.900 108.4 54.9 -66.8 -38.0 -6.1 23.2 2.6 8 8 A F H < S+ 0 0 109 -4,-2.4 4,-0.4 1,-0.2 3,-0.4 0.953 112.5 43.7 -60.8 -46.5 -3.8 25.8 4.0 9 9 A H H >< S+ 0 0 56 -4,-2.3 3,-1.7 1,-0.2 5,-0.3 0.902 107.3 59.2 -66.3 -41.6 -0.7 23.9 2.9 10 10 A A H >X S+ 0 0 27 -4,-2.4 4,-2.2 1,-0.3 3,-0.6 0.801 95.1 64.2 -61.1 -24.3 -2.2 23.1 -0.5 11 11 A E T 3< S+ 0 0 153 -4,-1.4 2,-0.3 -3,-0.4 -1,-0.3 0.750 106.4 45.9 -69.0 -20.1 -2.6 26.8 -1.2 12 12 A S T <4 S- 0 0 97 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.1 -0.651 140.1 -7.0-123.4 65.2 1.3 27.0 -1.1 13 13 A G T <4 S- 0 0 43 -3,-0.6 3,-0.2 -2,-0.3 -3,-0.2 0.324 98.4-109.5 128.9 -0.9 2.3 24.0 -3.2 14 14 A G >< - 0 0 20 -4,-2.2 3,-2.0 -5,-0.3 4,-0.3 -0.053 55.2 -56.4 81.4 176.2 -0.8 22.0 -4.1 15 15 A C G >> S+ 0 0 77 1,-0.3 4,-2.1 2,-0.2 3,-1.6 0.836 133.9 69.1 -60.6 -28.8 -1.9 18.6 -2.8 16 16 A E G 34 S+ 0 0 119 1,-0.3 -1,-0.3 2,-0.2 -2,-0.2 0.548 74.8 83.4 -71.6 -5.0 1.6 17.5 -4.2 17 17 A S G <4 S+ 0 0 39 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.824 117.6 8.2 -61.1 -32.7 3.2 19.5 -1.4 18 18 A C T <4 S+ 0 0 39 -3,-1.6 2,-0.4 -4,-0.3 16,-0.3 0.634 127.0 59.9-117.7 -27.1 2.6 16.4 0.8 19 19 A H S >< S- 0 0 31 -4,-2.1 3,-2.4 -5,-0.1 2,-0.2 -0.941 82.4-113.2-117.4 133.4 1.3 13.6 -1.6 20 20 A K G > S- 0 0 122 -2,-0.4 3,-2.3 3,-0.3 -3,-0.1 -0.399 106.0 -7.3 -60.4 125.0 3.0 12.0 -4.6 21 21 A D G 3 S- 0 0 137 1,-0.3 -1,-0.3 -2,-0.2 -5,-0.1 0.763 125.0 -71.5 58.0 27.5 1.0 13.1 -7.7 22 22 A G G < S+ 0 0 26 -3,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.566 110.2 118.9 65.0 16.5 -1.5 14.6 -5.2 23 23 A T < - 0 0 87 -3,-2.3 -3,-0.3 -7,-0.1 -1,-0.2 -0.915 66.3-115.7-120.5 127.6 -2.6 11.1 -4.2 24 24 A P - 0 0 91 0, 0.0 2,-0.1 0, 0.0 -5,-0.1 -0.353 23.2-130.8 -67.2 144.9 -2.2 9.6 -0.7 25 25 A S - 0 0 46 1,-0.1 -6,-0.0 -2,-0.1 0, 0.0 -0.447 13.3-127.9 -78.3 163.3 0.1 6.7 0.0 26 26 A A S S+ 0 0 108 1,-0.1 -1,-0.1 -2,-0.1 0, 0.0 0.871 106.0 43.1 -75.9 -40.5 -1.2 3.7 2.0 27 27 A D S S- 0 0 152 1,-0.0 -1,-0.1 -3,-0.0 0, 0.0 0.653 93.1-135.9 -81.7 -30.2 1.7 3.8 4.5 28 28 A G S > S+ 0 0 26 1,-0.0 4,-2.3 3,-0.0 5,-0.2 0.403 73.0 115.5 75.8 4.5 2.0 7.6 5.2 29 29 A A H > S+ 0 0 60 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.926 72.1 50.8 -71.5 -40.4 5.8 7.4 4.9 30 30 A F H > S+ 0 0 83 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.941 112.9 47.1 -58.3 -48.3 6.0 9.6 1.9 31 31 A E H > S+ 0 0 28 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.901 109.0 53.4 -63.4 -44.4 3.9 12.2 3.6 32 32 A F H X S+ 0 0 47 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.890 108.2 51.7 -58.8 -40.6 5.9 12.1 6.9 33 33 A A H X S+ 0 0 54 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.906 109.0 50.9 -61.9 -39.2 9.1 12.7 4.8 34 34 A Q H X S+ 0 0 54 -4,-2.0 4,-1.1 -16,-0.3 5,-0.2 0.936 107.8 51.5 -63.3 -46.8 7.4 15.7 3.3 35 35 A C H >X S+ 0 0 37 -4,-2.5 4,-2.5 1,-0.2 3,-0.6 0.938 113.6 45.0 -54.0 -47.2 6.4 17.2 6.7 36 36 A Q H 3X S+ 0 0 58 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.797 100.7 68.6 -68.5 -28.3 10.0 16.8 7.9 37 37 A S H 3< S+ 0 0 81 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.836 117.3 23.8 -62.3 -28.8 11.4 18.3 4.7 38 38 A C H << S+ 0 0 104 -4,-1.1 -2,-0.2 -3,-0.6 -1,-0.2 0.807 134.2 33.6 -98.8 -41.9 9.9 21.6 5.6 39 39 A H H < S- 0 0 125 -4,-2.5 -3,-0.2 1,-0.3 -2,-0.2 0.585 98.0-133.2 -97.1 -12.1 9.6 21.5 9.4 40 40 A G < - 0 0 33 -4,-2.2 -1,-0.3 -5,-0.2 2,-0.2 -0.382 41.1 -34.2 82.0-167.6 12.6 19.3 10.5 41 41 A K > - 0 0 51 -2,-0.1 3,-1.7 1,-0.1 4,-0.1 -0.580 45.4-119.8 -94.0 151.7 12.8 16.4 12.8 42 42 A L G > S+ 0 0 14 1,-0.3 3,-1.7 -2,-0.2 11,-0.1 0.836 111.2 62.5 -55.6 -38.3 10.9 15.7 16.0 43 43 A S G 3 S+ 0 0 62 1,-0.3 -1,-0.3 9,-0.1 7,-0.1 0.691 102.5 50.4 -66.8 -14.8 14.1 15.6 18.0 44 44 A E G < S+ 0 0 104 -3,-1.7 -1,-0.3 5,-0.1 -2,-0.2 0.244 100.5 82.7-102.5 9.9 14.7 19.2 17.2 45 45 A M S < S- 0 0 51 -3,-1.7 5,-0.1 1,-0.2 -3,-0.0 -0.233 86.9 -68.6-101.1-168.7 11.2 20.4 18.2 46 46 A D >> - 0 0 72 -2,-0.1 4,-2.6 1,-0.1 3,-0.7 -0.003 57.9 -81.2 -81.2-174.0 9.7 21.2 21.6 47 47 A A T 34 S+ 0 0 39 1,-0.3 -1,-0.1 2,-0.2 42,-0.1 0.742 126.8 54.9 -66.5 -23.6 9.0 19.1 24.6 48 48 A V T 34 S+ 0 0 40 2,-0.1 -1,-0.3 1,-0.1 4,-0.2 0.871 116.7 38.8 -70.4 -36.1 5.6 17.8 23.3 49 49 A H T X4 S+ 0 0 49 -3,-0.7 3,-2.1 1,-0.1 4,-0.4 0.914 99.9 69.8 -85.4 -45.1 7.4 16.6 20.1 50 50 A K G >< S+ 0 0 121 -4,-2.6 3,-1.7 1,-0.3 -1,-0.1 0.798 92.9 54.6 -48.7 -49.3 10.8 15.2 21.3 51 51 A P G 3 S+ 0 0 80 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.686 103.8 59.3 -64.8 -15.0 9.7 12.0 23.1 52 52 A H G X> S+ 0 0 46 -3,-2.1 4,-2.4 -4,-0.2 3,-2.3 0.527 74.3 120.5 -88.6 -6.3 7.8 11.0 20.0 53 53 A D T <4 S+ 0 0 72 -3,-1.7 4,-0.1 -4,-0.4 -12,-0.0 -0.331 85.9 11.0 -59.0 126.5 11.0 10.9 17.8 54 54 A G T 34 S+ 0 0 74 2,-0.4 -1,-0.3 -2,-0.1 3,-0.1 0.384 127.9 62.2 85.7 -5.2 11.4 7.4 16.5 55 55 A N T <4 S+ 0 0 127 -3,-2.3 2,-0.3 1,-0.3 -2,-0.2 0.741 101.0 31.1-117.8 -47.8 7.9 6.4 17.6 56 56 A L < - 0 0 49 -4,-2.4 -2,-0.4 2,-0.0 -1,-0.3 -0.812 61.7-136.2-114.2 160.4 5.3 8.5 15.8 57 57 A V > - 0 0 45 -2,-0.3 3,-1.9 -3,-0.1 4,-0.4 -0.711 39.8-103.7-102.7 163.9 4.9 10.2 12.5 58 58 A C G >> S+ 0 0 31 1,-0.3 4,-2.7 -2,-0.3 3,-1.9 0.892 118.5 60.7 -56.2 -41.5 3.4 13.7 12.5 59 59 A A G 34 S+ 0 0 73 1,-0.3 -1,-0.3 2,-0.2 -31,-0.0 0.604 84.4 76.8 -66.5 -13.0 0.0 12.5 11.3 60 60 A D G <4 S+ 0 0 93 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.772 118.9 13.8 -68.9 -20.2 -0.4 10.4 14.4 61 61 A C T <4 S+ 0 0 54 -3,-1.9 2,-1.0 -4,-0.4 -2,-0.2 0.686 121.6 63.5-112.9 -53.7 -1.2 13.7 16.2 62 62 A H < - 0 0 42 -4,-2.7 2,-1.2 11,-0.1 -1,-0.2 -0.726 59.7-170.5 -83.0 104.8 -1.9 16.3 13.4 63 63 A A >> - 0 0 40 -2,-1.0 4,-2.6 1,-0.2 3,-0.8 -0.771 10.9-173.1 -91.4 85.8 -4.9 15.1 11.5 64 64 A V T 34 S+ 0 0 52 -2,-1.2 -58,-2.6 1,-0.3 -59,-0.3 0.795 77.1 45.5 -69.6 -20.3 -4.3 17.8 8.8 65 65 A H T 34 S+ 0 0 117 -60,-0.2 -1,-0.3 -59,-0.1 -61,-0.1 0.697 120.3 39.8 -84.6 -25.1 -7.5 17.2 6.9 66 66 A D T <4 S+ 0 0 88 -3,-0.8 2,-0.4 2,-0.1 -2,-0.2 0.674 104.4 75.1 -93.3 -26.4 -9.7 17.0 10.0 67 67 A M S < S- 0 0 26 -4,-2.6 -62,-2.7 4,-0.1 -61,-0.3 -0.725 75.4-127.7 -96.2 135.1 -8.1 19.8 12.1 68 68 A N B > -A 4 0A 57 -2,-0.4 3,-1.9 -64,-0.3 -64,-0.3 -0.383 40.3 -92.8 -59.6 150.4 -8.5 23.6 11.5 69 69 A V T 3 S+ 0 0 54 -66,-2.9 -66,-0.1 1,-0.2 -1,-0.1 -0.420 123.0 33.8 -52.4 137.4 -5.4 25.7 11.2 70 70 A G T 3 S+ 0 0 60 1,-0.3 2,-0.4 -3,-0.1 -1,-0.2 0.207 93.8 109.5 101.8 -36.8 -5.0 26.8 14.8 71 71 A Q < - 0 0 90 -3,-1.9 -1,-0.3 1,-0.0 -66,-0.1 -0.722 52.6-161.6 -83.0 126.6 -6.4 23.5 16.3 72 72 A K - 0 0 136 -2,-0.4 -4,-0.1 -3,-0.1 13,-0.0 -0.771 22.1 -94.8-115.5 161.5 -3.8 21.4 18.0 73 73 A P - 0 0 25 0, 0.0 12,-0.2 0, 0.0 2,-0.2 -0.283 31.2-145.5 -65.3 149.6 -3.8 17.8 18.9 74 74 A T - 0 0 93 -13,-0.2 10,-0.1 10,-0.1 3,-0.1 -0.481 11.2-130.9-108.4 179.0 -4.7 16.5 22.3 75 75 A C S >> S+ 0 0 28 8,-0.4 4,-1.9 -2,-0.2 3,-1.5 0.494 75.1 95.4-117.2 -8.7 -3.3 13.5 24.2 76 76 A E T 34 S+ 0 0 135 1,-0.3 -1,-0.1 2,-0.2 8,-0.0 0.669 71.8 71.6 -72.1 -16.9 -6.0 11.3 25.4 77 77 A S T 34 S+ 0 0 97 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.788 119.4 14.8 -65.6 -26.5 -6.0 8.8 22.5 78 78 A C T <4 S+ 0 0 103 -3,-1.5 2,-0.4 1,-0.2 -2,-0.2 0.595 120.5 57.4-124.3 -20.7 -2.7 7.4 23.7 79 79 A H < - 0 0 62 -4,-1.9 3,-0.3 4,-0.1 -1,-0.2 -0.914 55.0-161.6-121.0 142.1 -2.0 8.5 27.3 80 80 A D S S+ 0 0 170 -2,-0.4 -4,-0.1 1,-0.2 -1,-0.1 0.393 72.7 82.4-107.9 6.7 -4.3 7.8 30.2 81 81 A D S S- 0 0 99 1,-0.0 -1,-0.2 0, 0.0 -5,-0.1 0.334 101.3-109.9 -95.3 5.7 -3.0 10.4 32.8 82 82 A G + 0 0 64 -3,-0.3 -6,-0.1 1,-0.2 -2,-0.1 0.552 59.0 165.6 77.8 14.8 -4.9 13.5 31.5 83 83 A R - 0 0 91 -8,-0.1 -8,-0.4 4,-0.1 2,-0.3 -0.153 14.5-169.9 -63.3 155.1 -1.8 15.1 30.2 84 84 A T > - 0 0 68 -10,-0.1 4,-1.6 -9,-0.1 5,-0.2 -0.863 39.8-102.6-132.3 168.2 -2.0 18.1 27.9 85 85 A S H > S+ 0 0 52 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.928 123.8 53.5 -61.6 -36.8 0.4 20.0 25.8 86 86 A A H > S+ 0 0 61 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.879 104.7 52.3 -64.1 -40.7 0.3 22.7 28.4 87 87 A S H 4 S+ 0 0 61 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.828 118.0 39.5 -69.8 -28.4 1.2 20.3 31.2 88 88 A V H >< S+ 0 0 43 -4,-1.6 3,-1.1 -3,-0.2 -2,-0.2 0.873 115.8 47.1 -89.4 -42.9 4.2 19.1 29.3 89 89 A L H 3< S+ 0 0 79 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.891 122.8 35.4 -63.1 -37.7 5.5 22.4 27.8 90 90 A K T 3< 0 0 188 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.1 -0.099 360.0 360.0-110.9 35.0 5.3 24.3 31.0 91 91 A K < 0 0 229 -3,-1.1 -3,-0.1 0, 0.0 -4,-0.1 -0.344 360.0 360.0 -56.6 360.0 6.2 21.2 33.1