==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 05-JAN-98 1A2I . COMPND 2 MOLECULE: CYTOCHROME C3; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO VULGARIS SUBSP. . AUTHOR A.C.MESSIAS,D.H.K.KASTRAU,H.S.COSTA,J.LEGALL,D.L.TURNER, . 107 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8351.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 48 44.9 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 . 6 5.6 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 . 2 1.9 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 . 13 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.9 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 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 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 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 ANTIPARALLEL 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 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 0 132 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 168.5 -2.0 4.8 21.9 2 2 A P - 0 0 104 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.604 360.0-169.2 -75.0 -12.3 -2.5 6.8 18.7 3 3 A K - 0 0 173 2,-0.0 40,-0.0 0, 0.0 0, 0.0 0.127 41.6 -33.4 47.5-172.5 -4.5 3.9 17.4 4 4 A A S S- 0 0 65 1,-0.1 3,-0.1 18,-0.1 39,-0.0 -0.456 70.6-113.1 -76.4 149.0 -5.5 3.8 13.7 5 5 A P - 0 0 79 0, 0.0 17,-0.2 0, 0.0 -1,-0.1 -0.166 42.5 -77.7 -75.0 172.8 -6.2 7.1 11.9 6 6 A A - 0 0 80 1,-0.1 3,-0.3 2,-0.1 16,-0.2 0.065 55.8 -93.3 -60.3 179.0 -9.6 8.2 10.6 7 7 A D S S+ 0 0 123 1,-0.2 14,-0.1 14,-0.1 -1,-0.1 -0.460 98.2 56.6 -94.1 168.9 -11.0 6.9 7.4 8 8 A G + 0 0 47 12,-0.5 2,-1.1 1,-0.2 -1,-0.2 0.702 64.6 166.5 82.0 22.3 -10.8 8.4 3.9 9 9 A L E +A 20 0A 65 11,-0.9 11,-3.6 -3,-0.3 2,-0.3 -0.615 10.4 173.1 -75.1 102.0 -7.0 8.4 4.1 10 10 A K E -A 19 0A 115 -2,-1.1 2,-0.5 9,-0.3 9,-0.3 -0.805 22.7-149.8-112.1 153.9 -6.0 9.0 0.6 11 11 A M E -A 18 0A 49 7,-2.3 7,-1.0 -2,-0.3 2,-0.6 -0.960 11.6-177.7-129.2 113.8 -2.5 9.7 -0.8 12 12 A E + 0 0 116 -2,-0.5 -2,-0.0 5,-0.2 7,-0.0 -0.588 40.3 126.0-108.2 67.3 -2.0 11.8 -3.9 13 13 A A S S+ 0 0 51 -2,-0.6 2,-0.2 3,-0.2 -1,-0.2 0.515 73.8 38.7 -97.2 -10.1 1.8 11.6 -4.3 14 14 A T S S- 0 0 45 -3,-0.3 -3,-0.0 2,-0.1 0, 0.0 -0.764 100.0 -92.1-131.5 176.5 1.4 10.4 -7.9 15 15 A K S S+ 0 0 202 -2,-0.2 -3,-0.0 1,-0.2 -1,-0.0 0.623 119.7 59.8 -64.8 -11.8 -0.7 11.1 -10.9 16 16 A Q S S- 0 0 115 -5,-0.0 -1,-0.2 90,-0.0 -3,-0.2 -0.890 79.2-161.6-124.4 99.4 -2.9 8.3 -9.6 17 17 A P - 0 0 59 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.289 5.3-159.2 -74.9 162.5 -4.3 8.9 -6.1 18 18 A V E -A 11 0A 33 -7,-1.0 -7,-2.3 88,-0.1 2,-0.5 -0.975 12.4-139.6-143.0 153.9 -5.6 6.2 -3.8 19 19 A V E -A 10 0A 73 86,-0.3 -9,-0.3 -2,-0.3 2,-0.2 -0.961 22.6-171.3-120.8 114.5 -7.9 6.0 -0.8 20 20 A F E -A 9 0A 51 -11,-3.6 -11,-0.9 -2,-0.5 -12,-0.5 -0.575 5.6-156.6-100.6 165.0 -6.9 3.6 2.0 21 21 A N > - 0 0 52 -2,-0.2 4,-0.6 -13,-0.1 3,-0.2 -0.997 17.9-165.6-144.8 138.5 -8.8 2.5 5.0 22 22 A H T 4 S+ 0 0 40 -2,-0.3 6,-0.2 -17,-0.2 -1,-0.1 0.644 91.3 67.6 -93.9 -20.2 -7.8 1.1 8.4 23 23 A S T 4 S+ 0 0 83 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.485 104.3 47.0 -77.1 -3.0 -11.3 -0.0 9.2 24 24 A T T 4 S+ 0 0 98 -3,-0.2 3,-0.5 1,-0.1 -1,-0.2 0.725 110.9 47.1-105.2 -34.8 -10.8 -2.6 6.4 25 25 A H S < S+ 0 0 48 -4,-0.6 3,-0.4 1,-0.2 -2,-0.1 -0.129 75.0 117.9 -99.2 34.7 -7.3 -3.8 7.3 26 26 A K S S+ 0 0 159 1,-0.2 -1,-0.2 -3,-0.1 4,-0.1 0.854 76.4 50.6 -67.7 -35.8 -8.3 -4.3 11.0 27 27 A S S S+ 0 0 119 -3,-0.5 2,-0.3 2,-0.1 -1,-0.2 0.597 98.5 89.6 -76.5 -11.8 -7.7 -8.0 10.7 28 28 A V S S- 0 0 39 -3,-0.4 2,-0.2 -6,-0.2 -3,-0.0 -0.657 87.8-111.0 -88.8 143.2 -4.3 -7.1 9.2 29 29 A K >> - 0 0 135 -2,-0.3 3,-2.1 1,-0.1 4,-0.7 -0.517 14.0-135.6 -74.2 137.6 -1.3 -6.6 11.4 30 30 A C H >> S+ 0 0 55 1,-0.3 4,-2.6 -2,-0.2 3,-0.8 0.837 110.7 56.9 -60.0 -33.1 -0.0 -3.1 11.7 31 31 A G H 34 S+ 0 0 25 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.501 93.6 70.6 -75.8 -4.3 3.4 -4.6 11.3 32 32 A D H <4 S+ 0 0 40 -3,-2.1 45,-0.3 3,-0.1 -1,-0.2 0.815 119.5 13.3 -79.9 -33.4 2.2 -6.1 8.1 33 33 A C H << S+ 0 0 57 -3,-0.8 2,-2.7 -4,-0.7 -2,-0.2 0.801 125.2 57.4-105.4 -55.2 2.1 -2.7 6.4 34 34 A H S < S- 0 0 40 -4,-2.6 8,-0.2 -5,-0.2 -1,-0.1 -0.314 87.0-164.5 -76.4 56.7 4.0 -0.5 8.8 35 35 A H - 0 0 48 -2,-2.7 2,-0.2 -3,-0.2 7,-0.2 0.001 27.1 -95.5 -42.0 148.7 7.0 -2.8 8.4 36 36 A P - 0 0 66 0, 0.0 2,-0.5 0, 0.0 5,-0.2 -0.533 38.1-163.5 -75.0 135.0 9.7 -2.3 11.1 37 37 A V B > S-B 40 0B 81 3,-1.9 3,-1.1 -2,-0.2 -3,-0.0 -0.967 75.4 -7.5-125.0 114.7 12.6 -0.0 10.2 38 38 A N T 3 S- 0 0 164 -2,-0.5 3,-0.1 1,-0.2 -1,-0.1 0.414 126.0 -66.5 82.5 -1.1 15.7 -0.1 12.2 39 39 A G T 3 S+ 0 0 74 1,-0.4 2,-0.4 0, 0.0 -1,-0.2 0.390 112.1 114.8 99.8 0.5 13.8 -2.4 14.6 40 40 A K B < -B 37 0B 137 -3,-1.1 -3,-1.9 2,-0.0 2,-0.5 -0.846 53.9-149.3-106.5 141.1 11.5 0.3 15.6 41 41 A E + 0 0 95 -2,-0.4 2,-0.3 -5,-0.2 -6,-0.1 -0.942 28.1 151.3-113.9 127.4 7.7 0.3 14.9 42 42 A D - 0 0 62 -2,-0.5 2,-1.0 -8,-0.2 -2,-0.0 -0.968 47.7-110.2-149.2 159.8 5.8 3.5 14.3 43 43 A Y + 0 0 116 -2,-0.3 2,-0.2 -40,-0.0 -2,-0.0 -0.784 58.3 141.3 -98.3 93.6 2.7 4.7 12.4 44 44 A R - 0 0 152 -2,-1.0 2,-0.4 4,-0.0 3,-0.1 -0.699 55.4 -85.2-124.2 176.3 4.0 6.9 9.6 45 45 A K > - 0 0 160 -2,-0.2 3,-0.8 1,-0.1 7,-0.2 -0.698 24.9-140.6 -87.3 134.1 3.2 7.6 6.0 46 46 A C T 3 S+ 0 0 49 -2,-0.4 2,-1.5 1,-0.3 6,-1.5 0.911 104.4 58.9 -56.7 -44.3 4.7 5.3 3.4 47 47 A G T 3 S+ 0 0 44 4,-0.1 2,-0.4 2,-0.1 -1,-0.3 -0.251 80.5 148.7 -81.9 48.6 5.2 8.3 1.2 48 48 A T X - 0 0 20 -2,-1.5 3,-3.9 -3,-0.8 2,-0.6 -0.730 61.1-103.9 -89.2 130.9 7.3 10.0 3.9 49 49 A A T 3 S+ 0 0 93 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.1 -0.346 115.5 23.9 -54.9 102.4 10.1 12.3 2.8 50 50 A G T 3 S+ 0 0 60 -2,-0.6 -1,-0.3 13,-0.1 -3,-0.1 0.235 121.0 60.0 121.3 -7.8 13.1 10.0 3.4 51 51 A C S < S- 0 0 63 -3,-3.9 2,-0.8 -5,-0.1 -4,-0.1 0.652 119.1 -1.2-108.7 -92.2 11.2 6.7 3.2 52 52 A H S S+ 0 0 29 -6,-1.5 2,-0.2 -4,-0.3 3,-0.1 -0.670 89.2 122.8-107.1 74.6 9.5 6.0 -0.1 53 53 A D + 0 0 78 -2,-0.8 11,-0.1 1,-0.1 10,-0.1 -0.658 20.2 119.4-135.8 77.0 10.2 9.1 -2.1 54 54 A S - 0 0 31 9,-0.6 10,-0.1 -2,-0.2 -1,-0.1 0.681 45.7-162.6-108.0 -30.9 11.9 8.1 -5.3 55 55 A M + 0 0 113 8,-0.3 3,-0.1 -3,-0.1 9,-0.1 0.816 61.1 109.5 47.6 34.8 9.3 9.4 -7.8 56 56 A D - 0 0 93 1,-0.1 2,-3.6 7,-0.1 -1,-0.1 0.722 48.3-176.7-105.0 -35.0 11.0 7.2 -10.3 57 57 A K S > S+ 0 0 100 1,-0.1 2,-2.1 2,-0.0 3,-0.7 -0.339 73.2 71.5 69.6 -64.8 8.3 4.6 -10.7 58 58 A K T 3 S+ 0 0 146 -2,-3.6 -1,-0.1 1,-0.2 9,-0.0 -0.520 81.0 78.0 -82.2 72.2 10.5 2.7 -13.1 59 59 A D T 3 - 0 0 66 -2,-2.1 -1,-0.2 5,-0.0 4,-0.0 0.457 59.9-173.1-140.6 -51.2 12.9 1.5 -10.4 60 60 A K < + 0 0 116 -3,-0.7 -2,-0.0 1,-0.1 5,-0.0 0.917 49.9 102.4 42.0 90.5 11.3 -1.3 -8.5 61 61 A S S S- 0 0 89 3,-0.1 -1,-0.1 10,-0.0 0, 0.0 0.249 96.8 -69.5-157.9 -54.6 13.8 -1.8 -5.7 62 62 A A S S+ 0 0 52 12,-0.1 6,-0.2 13,-0.0 5,-0.1 -0.014 124.4 60.8-179.4 -54.5 12.6 -0.3 -2.4 63 63 A K S S+ 0 0 105 -11,-0.1 2,-1.3 -10,-0.1 -9,-0.6 0.707 78.3 108.6 -65.5 -19.7 12.6 3.4 -2.6 64 64 A G >> - 0 0 0 1,-0.2 3,-2.4 -10,-0.1 4,-1.6 -0.447 52.8-171.1 -63.7 93.3 10.1 3.0 -5.4 65 65 A Y T 34 S+ 0 0 17 -2,-1.3 3,-0.2 1,-0.3 -1,-0.2 0.871 89.4 49.6 -53.3 -41.0 6.9 4.2 -3.7 66 66 A Y T 34 S+ 0 0 96 1,-0.2 5,-0.4 2,-0.2 -1,-0.3 0.436 108.4 56.6 -78.5 0.2 4.9 2.9 -6.6 67 67 A H T <4 S+ 0 0 9 -3,-2.4 3,-0.3 3,-0.2 -2,-0.2 0.721 101.0 52.7 -99.4 -30.7 6.8 -0.3 -6.3 68 68 A V S < S+ 0 0 28 -4,-1.6 11,-0.8 -3,-0.2 -2,-0.2 0.291 110.6 52.1 -87.0 8.9 5.9 -1.0 -2.7 69 69 A M S S+ 0 0 26 -5,-0.2 11,-1.0 9,-0.2 -1,-0.2 0.487 131.8 5.7-117.7 -13.4 2.3 -0.5 -3.7 70 70 A H S S+ 0 0 49 -3,-0.3 -3,-0.2 9,-0.2 -2,-0.1 0.529 98.5 98.5-132.9 -60.1 2.2 -3.0 -6.6 71 71 A D - 0 0 38 -5,-0.4 10,-0.4 -4,-0.2 3,-0.1 -0.049 44.7-173.5 -39.0 132.1 5.4 -4.9 -6.9 72 72 A K + 0 0 122 1,-0.1 2,-2.8 8,-0.1 6,-0.2 0.694 69.5 81.3-102.8 -29.5 4.9 -8.3 -5.3 73 73 A N S S+ 0 0 157 4,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.355 73.1 124.3 -76.4 60.5 8.5 -9.4 -5.5 74 74 A T S S- 0 0 34 -2,-2.8 4,-0.1 2,-0.2 -12,-0.1 -0.856 75.5-120.8-122.2 157.4 9.4 -7.4 -2.4 75 75 A K S S+ 0 0 190 -2,-0.3 2,-0.3 2,-0.1 -1,-0.1 0.757 103.0 47.2 -64.7 -24.6 10.9 -8.3 1.0 76 76 A F S S- 0 0 84 -41,-0.0 2,-0.3 1,-0.0 -2,-0.2 -0.823 104.2 -87.7-118.5 157.9 7.7 -7.0 2.5 77 77 A K - 0 0 110 -2,-0.3 2,-0.2 -45,-0.3 -42,-0.1 -0.461 47.3-150.9 -65.2 125.4 4.1 -7.6 1.7 78 78 A S > - 0 0 5 -2,-0.3 4,-4.1 -6,-0.2 5,-0.5 -0.567 24.7-107.9 -96.8 162.2 2.9 -5.1 -0.9 79 79 A C H > S+ 0 0 46 -11,-0.8 4,-2.8 1,-0.2 -9,-0.2 0.967 125.0 28.7 -49.0 -66.4 -0.6 -3.7 -1.4 80 80 A V H > S+ 0 0 19 -11,-1.0 4,-4.0 2,-0.2 -1,-0.2 0.852 118.4 63.2 -63.6 -35.6 -1.2 -5.7 -4.6 81 81 A G H > S+ 0 0 13 -10,-0.4 4,-1.3 2,-0.2 -2,-0.2 0.957 111.7 33.0 -52.5 -59.8 1.2 -8.3 -3.2 82 82 A C H >X S+ 0 0 23 -4,-4.1 4,-2.6 1,-0.2 3,-0.5 0.921 118.2 55.9 -63.7 -45.2 -1.0 -9.2 -0.2 83 83 A H H 3X>S+ 0 0 28 -4,-2.8 4,-4.6 -5,-0.5 5,-0.6 0.898 103.1 55.3 -52.9 -44.3 -4.1 -8.4 -2.3 84 84 A V H 3X5S+ 0 0 43 -4,-4.0 4,-2.0 1,-0.2 -1,-0.3 0.864 111.0 45.1 -57.0 -37.7 -2.9 -11.0 -4.8 85 85 A E H <<5S+ 0 0 151 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.830 117.7 44.1 -74.6 -34.1 -2.7 -13.5 -1.9 86 86 A V H <5S+ 0 0 89 -4,-2.6 -2,-0.2 1,-0.1 -3,-0.2 0.955 122.8 35.2 -74.0 -53.7 -6.1 -12.4 -0.6 87 87 A A H ><5S+ 0 0 2 -4,-4.6 3,-1.5 1,-0.2 4,-0.3 0.868 86.7 146.1 -67.6 -37.7 -7.8 -12.3 -4.0 88 88 A G T 3<> S+ 0 0 101 -2,-1.5 3,-1.6 1,-0.3 4,-1.3 0.921 96.1 53.2 -66.8 -45.7 -11.6 -9.7 -6.0 94 94 A K T 34 S+ 0 0 89 1,-0.3 -1,-0.3 -7,-0.3 4,-0.2 0.606 109.1 53.0 -64.8 -10.3 -8.4 -9.6 -8.0 95 95 A K T 34 S+ 0 0 135 -3,-0.4 -1,-0.3 3,-0.2 -2,-0.2 0.568 119.9 31.0 -98.2 -14.9 -10.3 -7.1 -10.1 96 96 A D T <4 S+ 0 0 57 -3,-1.6 8,-0.7 -4,-0.5 -2,-0.2 0.251 131.7 35.8-122.7 5.1 -11.1 -4.9 -7.1 97 97 A L S < S+ 0 0 28 -4,-1.3 -3,-0.2 6,-0.1 -14,-0.2 0.633 139.3 11.2-123.2 -44.8 -8.0 -5.8 -5.1 98 98 A T S S+ 0 0 25 -5,-0.5 -3,-0.2 -4,-0.2 -4,-0.1 0.255 94.5 132.7-119.6 6.1 -5.3 -6.0 -7.7 99 99 A G - 0 0 13 -6,-0.4 7,-0.4 1,-0.1 6,-0.2 -0.274 48.5-150.9 -61.1 144.8 -7.2 -4.6 -10.6 100 100 A C S S+ 0 0 117 1,-0.3 2,-0.4 2,-0.1 3,-0.2 0.929 82.2 18.8 -81.3 -52.0 -5.5 -1.9 -12.6 101 101 A K S S+ 0 0 154 1,-0.2 -1,-0.3 4,-0.0 6,-0.2 -0.964 127.0 20.6-124.6 140.1 -8.7 -0.1 -13.7 102 102 A K S S+ 0 0 154 -2,-0.4 5,-0.2 1,-0.2 -1,-0.2 0.919 95.0 127.4 72.1 46.0 -12.1 -0.2 -12.1 103 103 A S S S- 0 0 13 3,-3.9 -7,-0.2 -3,-0.2 -1,-0.2 -0.542 78.2 -95.7-120.5-173.6 -10.7 -1.5 -8.8 104 104 A K S S+ 0 0 149 -8,-0.7 -85,-0.3 -2,-0.2 -7,-0.1 0.789 125.5 35.8 -75.1 -29.3 -10.9 -0.6 -5.1 105 105 A C S S+ 0 0 40 1,-0.3 2,-0.4 -6,-0.2 -86,-0.3 0.947 124.9 34.5 -85.1 -67.1 -7.7 1.3 -5.4 106 106 A H 0 0 32 -7,-0.4 -3,-3.9 -88,-0.1 -1,-0.3 -0.785 360.0 360.0 -95.0 132.7 -7.9 2.8 -8.9 107 107 A E 0 0 212 -2,-0.4 -3,-0.1 -5,-0.2 -2,-0.0 -0.720 360.0 360.0-113.6 360.0 -11.3 3.8 -10.2