==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOTOSYNTHESIS 27-MAY-09 2WJN . COMPND 2 MOLECULE: PHOTOSYNTHETIC REACTION CENTER CYTOCHROME C SUBUN . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOPSEUDOMONAS VIRIDIS; . AUTHOR A.B.WOHRI,W.Y.WAHLGREN,E.MALMERBERG,L.C.JOHANSSON,R.NEUTZE, . 1171 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46264.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 787 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 35 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 154 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 430 36.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 34 2.9 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 6 3 4 2 0 0 0 2 1 0 2 1 0 4 0 3 0 0 0 3 1 0 1 2 1 0 0 RESIDUES PER ALPHA HELIX . 3 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 PARALLEL BRIDGES PER LADDER . 13 6 3 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 6 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 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 C C 0 0 116 0, 0.0 2,-0.3 0, 0.0 842,-0.1 0.000 360.0 360.0 360.0 -38.8 -10.0 38.0 50.9 2 2 C F - 0 0 127 831,-0.0 831,-0.2 832,-0.0 830,-0.0 -0.861 360.0-125.0-128.0 169.7 -7.7 41.0 51.5 3 3 C E - 0 0 9 829,-3.2 827,-0.1 -2,-0.3 832,-0.0 -0.967 28.1-124.4-119.0 119.6 -7.3 43.4 54.5 4 4 C P - 0 0 69 0, 0.0 828,-0.1 0, 0.0 829,-0.0 -0.342 42.6 -84.7 -69.8 144.2 -7.7 47.1 53.9 5 5 C P S S+ 0 0 57 0, 0.0 2,-0.2 0, 0.0 712,-0.1 -0.273 84.3 85.5 -71.3 169.3 -4.8 49.5 54.9 6 6 C P - 0 0 100 0, 0.0 2,-0.4 0, 0.0 711,-0.1 0.457 58.1-164.6 -73.0 155.4 -3.4 51.1 57.1 7 7 C A - 0 0 15 709,-0.3 2,-0.6 -2,-0.2 17,-0.2 -0.887 17.5-129.7-100.8 142.0 -1.3 48.4 58.6 8 8 C T E -A 23 0A 67 15,-3.3 15,-3.4 -2,-0.4 2,-0.4 -0.842 32.7-175.6 -88.3 123.4 0.3 48.9 62.0 9 9 C T E -A 22 0A 35 -2,-0.6 2,-0.2 13,-0.2 13,-0.2 -0.957 10.6-169.7-124.2 143.8 4.0 48.1 61.8 10 10 C T - 0 0 45 11,-1.8 2,-0.5 -2,-0.4 -2,-0.0 -0.733 21.2-124.2-118.5 169.3 6.7 47.9 64.5 11 11 C Q + 0 0 28 -2,-0.2 9,-0.3 9,-0.2 4,-0.1 -0.979 31.2 162.9-119.3 125.4 10.5 47.6 64.3 12 12 C T + 0 0 11 7,-1.9 1149,-0.5 -2,-0.5 2,-0.3 0.314 64.5 43.1-119.7 0.8 12.3 44.8 66.1 13 13 C G S S- 0 0 6 6,-0.8 3,-0.1 1147,-0.1 4,-0.1 -0.873 99.8 -61.8-138.6 171.7 15.7 44.9 64.3 14 14 C F S > S- 0 0 39 1144,-0.3 3,-1.3 -2,-0.3 5,-0.3 -0.226 73.6 -84.3 -50.9 139.7 18.3 47.3 63.0 15 15 C R T 3 S+ 0 0 27 1,-0.2 633,-0.2 2,-0.1 -1,-0.1 -0.209 116.2 31.4 -49.4 135.4 16.9 49.6 60.3 16 16 C G T 3 S+ 0 0 2 705,-0.6 -1,-0.2 631,-0.3 718,-0.1 0.500 92.9 94.3 95.7 2.2 16.9 48.0 56.8 17 17 C L S < S- 0 0 3 -3,-1.3 720,-0.2 2,-0.1 -2,-0.1 0.429 85.9-129.0-102.5 -2.5 16.4 44.4 58.0 18 18 C S + 0 0 12 703,-0.3 2,-0.5 1,-0.2 723,-0.1 0.915 53.8 151.7 51.1 47.3 12.6 44.3 57.6 19 19 C M + 0 0 16 -5,-0.3 -7,-1.9 -6,-0.1 -6,-0.8 -0.930 22.8 74.0-109.3 129.3 12.1 43.0 61.2 20 20 C G S S- 0 0 0 -2,-0.5 225,-0.2 -9,-0.3 -9,-0.2 -0.887 74.8 -54.3 158.0 174.0 8.9 43.8 63.1 21 21 C E - 0 0 32 -2,-0.3 -11,-1.8 224,-0.1 2,-0.4 -0.492 33.4-161.2 -76.0 150.8 5.3 43.3 63.7 22 22 C V E +A 9 0A 13 -13,-0.2 2,-0.3 -2,-0.2 -13,-0.2 -0.955 22.6 176.0-134.2 109.0 2.7 43.6 61.0 23 23 C L E -A 8 0A 39 -15,-3.4 -15,-3.3 -2,-0.4 812,-0.1 -0.913 32.6-136.3-126.7 146.5 -0.8 44.1 62.4 24 24 C H >> - 0 0 28 -2,-0.3 4,-2.2 -17,-0.2 3,-0.7 -0.865 21.5-143.9 -95.8 113.1 -4.4 44.8 61.2 25 25 C P H 3> S+ 0 0 52 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.843 97.0 52.5 -52.4 -38.6 -6.0 47.5 63.4 26 26 C A H 3> S+ 0 0 62 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.878 110.3 50.3 -66.0 -34.6 -9.5 46.0 63.4 27 27 C T H <> S+ 0 0 48 -3,-0.7 4,-2.2 2,-0.2 5,-0.2 0.940 110.8 47.9 -66.7 -44.3 -8.1 42.6 64.4 28 28 C V H X S+ 0 0 35 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.905 111.6 51.3 -61.7 -42.5 -6.1 44.2 67.3 29 29 C K H X S+ 0 0 133 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.903 109.0 49.8 -62.7 -43.5 -9.2 46.1 68.5 30 30 C A H X S+ 0 0 56 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.903 111.6 47.5 -65.4 -41.9 -11.4 43.0 68.5 31 31 C K H X S+ 0 0 57 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.875 110.7 53.2 -66.8 -34.0 -8.9 41.0 70.5 32 32 C K H X S+ 0 0 115 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.907 108.7 49.0 -66.6 -40.5 -8.6 43.9 73.0 33 33 C E H < S+ 0 0 120 -4,-2.2 4,-0.3 2,-0.2 -2,-0.2 0.905 112.8 47.7 -63.0 -43.7 -12.3 44.1 73.5 34 34 C R H >< S+ 0 0 68 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.913 113.4 47.5 -63.3 -42.8 -12.5 40.3 74.1 35 35 C D H >< S+ 0 0 7 -4,-2.4 3,-1.7 1,-0.3 -2,-0.2 0.832 99.4 68.5 -73.5 -26.5 -9.6 40.5 76.5 36 36 C A T 3< S+ 0 0 79 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.520 77.3 82.3 -68.8 -7.6 -11.1 43.4 78.4 37 37 C Q T < + 0 0 132 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.1 0.584 60.2 127.1 -71.2 -9.5 -13.9 41.2 79.7 38 38 C Y < - 0 0 16 -3,-1.7 42,-0.0 1,-0.1 -3,-0.0 -0.289 69.7-117.4 -50.0 114.5 -11.4 40.1 82.4 39 39 C P - 0 0 18 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.250 31.0-108.4 -57.9 144.4 -13.4 40.7 85.6 40 40 C P - 0 0 100 0, 0.0 281,-0.1 0, 0.0 -3,-0.0 -0.309 42.7 -82.9 -71.5 160.3 -11.9 43.3 87.8 41 41 C A - 0 0 33 1,-0.1 2,-0.1 3,-0.0 3,-0.1 -0.281 49.6-112.0 -54.0 141.5 -10.2 42.4 91.1 42 42 C L - 0 0 48 1,-0.1 -1,-0.1 -3,-0.1 3,-0.1 -0.419 45.5 -80.8 -69.2 154.9 -12.6 41.9 94.0 43 43 C A - 0 0 82 1,-0.1 -1,-0.1 -2,-0.1 2,-0.0 -0.250 51.9-103.5 -52.3 139.7 -12.5 44.4 96.9 44 44 C A - 0 0 92 -3,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.332 45.7-164.5 -62.4 150.4 -9.7 43.9 99.5 45 45 C V - 0 0 63 1,-0.1 -1,-0.1 -3,-0.1 24,-0.0 -0.754 30.5 -44.2-135.9-179.3 -10.9 42.4 102.8 46 46 C K - 0 0 59 -2,-0.2 23,-0.5 1,-0.1 22,-0.2 -0.192 36.3-169.7 -58.8 122.8 -9.9 41.7 106.4 47 47 C A + 0 0 74 21,-0.1 2,-0.3 22,-0.1 -1,-0.1 0.529 62.6 77.6 -90.1 -9.4 -6.4 40.5 106.9 48 48 C E + 0 0 87 18,-0.0 20,-0.2 3,-0.0 19,-0.1 -0.715 59.7 65.9-110.4 156.8 -6.8 39.6 110.6 49 49 C G S S- 0 0 57 -2,-0.3 0, 0.0 17,-0.1 0, 0.0 -0.584 88.6 -39.3 121.2 174.2 -8.5 36.6 112.4 50 50 C P - 0 0 70 0, 0.0 17,-0.7 0, 0.0 2,-0.2 -0.276 64.5-100.9 -65.4 158.3 -7.6 32.9 112.5 51 51 C P B >> -B 66 0B 37 0, 0.0 3,-2.4 0, 0.0 4,-1.3 -0.471 26.4-120.6 -75.4 145.2 -6.3 30.9 109.4 52 52 C V H 3> S+ 0 0 0 13,-2.6 4,-2.5 10,-0.3 7,-0.2 0.629 110.0 77.4 -65.5 -13.6 -8.9 28.7 107.6 53 53 C S H 34 S+ 0 0 74 10,-2.0 -1,-0.3 12,-0.2 6,-0.1 0.803 108.7 32.6 -54.8 -30.9 -6.5 25.8 108.4 54 54 C Q H <4 S+ 0 0 146 -3,-2.4 -2,-0.3 9,-0.3 -1,-0.2 0.763 122.8 46.6 -91.6 -37.4 -8.2 26.3 111.8 55 55 C V H < S+ 0 0 56 -4,-1.3 -3,-0.2 -5,-0.0 -2,-0.2 0.918 110.0 44.7 -77.7 -44.6 -11.6 27.5 110.7 56 56 C Y S < S- 0 0 90 -4,-2.5 3,-0.2 7,-0.1 11,-0.0 -0.457 71.5-129.7-105.4 175.0 -12.6 24.9 107.9 57 57 C K S S+ 0 0 180 1,-0.2 -1,-0.1 -2,-0.1 40,-0.0 0.862 92.9 25.4 -92.4 -42.1 -12.3 21.2 107.5 58 58 C N S S+ 0 0 26 40,-0.0 2,-0.7 38,-0.0 -1,-0.2 -0.311 71.3 135.7-131.4 46.9 -10.6 20.4 104.2 59 59 C V + 0 0 33 -7,-0.2 -3,-0.0 -3,-0.2 38,-0.0 -0.886 14.1 158.7-102.1 110.3 -8.4 23.3 103.2 60 60 C K S S+ 0 0 140 -2,-0.7 -1,-0.1 2,-0.1 -7,-0.0 0.627 72.3 26.4-107.5 -20.1 -5.0 21.9 102.0 61 61 C V S S+ 0 0 20 2,-0.0 3,-0.3 1,-0.0 -2,-0.1 0.725 124.4 40.5-108.8 -41.2 -3.5 24.6 99.8 62 62 C L S > S+ 0 0 4 1,-0.2 3,-1.8 2,-0.1 -10,-0.3 0.082 73.1 127.6-102.0 26.5 -5.0 28.0 101.0 63 63 C G T 3 + 0 0 14 1,-0.3 -10,-2.0 -11,-0.1 -9,-0.3 0.632 64.4 60.2 -62.4 -20.0 -4.8 27.2 104.7 64 64 C N T 3 S+ 0 0 117 -3,-0.3 -1,-0.3 -12,-0.2 2,-0.2 0.508 83.3 99.0 -88.6 -6.9 -2.9 30.4 105.7 65 65 C L S < S- 0 0 12 -3,-1.8 -13,-2.6 1,-0.1 -12,-0.2 -0.535 77.3-115.0 -75.8 146.6 -5.6 32.8 104.5 66 66 C T B > -B 51 0B 10 -15,-0.2 4,-2.9 -2,-0.2 5,-0.2 -0.298 36.0-101.0 -64.8 163.7 -8.1 34.4 106.9 67 67 C E H > S+ 0 0 80 -17,-0.7 4,-2.7 1,-0.2 5,-0.3 0.938 124.0 47.9 -57.6 -47.2 -11.8 33.5 106.4 68 68 C A H > S+ 0 0 40 -20,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.916 114.0 47.8 -61.3 -40.9 -12.6 36.7 104.5 69 69 C E H > S+ 0 0 54 -23,-0.5 4,-1.8 2,-0.2 -2,-0.2 0.918 112.6 49.0 -65.2 -39.0 -9.5 36.3 102.3 70 70 C F H X S+ 0 0 25 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.902 110.5 48.3 -71.3 -44.1 -10.4 32.6 101.6 71 71 C L H X S+ 0 0 77 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.844 108.5 56.3 -64.8 -33.2 -14.0 33.3 100.7 72 72 C R H X S+ 0 0 28 -4,-1.8 4,-2.2 -5,-0.3 -2,-0.2 0.903 107.1 49.2 -59.2 -44.1 -12.8 36.2 98.4 73 73 C T H X S+ 0 0 2 -4,-1.8 4,-3.1 2,-0.2 5,-0.3 0.951 111.1 49.5 -61.0 -46.8 -10.6 33.6 96.6 74 74 C M H X S+ 0 0 44 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.903 110.7 49.8 -58.6 -43.4 -13.6 31.3 96.2 75 75 C T H X S+ 0 0 75 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.915 113.4 47.0 -59.1 -44.0 -15.7 34.1 94.9 76 76 C A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.941 110.3 50.7 -65.4 -49.2 -13.0 35.0 92.3 77 77 C I H X>S+ 0 0 22 -4,-3.1 4,-2.3 1,-0.2 5,-0.6 0.886 108.8 54.0 -54.5 -44.6 -12.4 31.4 91.2 78 78 C T H X5S+ 0 0 28 -4,-2.1 4,-1.3 -5,-0.3 8,-0.2 0.935 109.6 45.4 -57.4 -50.1 -16.2 31.1 90.6 79 79 C E H <5S+ 0 0 82 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.867 118.1 44.7 -61.6 -37.2 -16.3 34.1 88.4 80 80 C W H <5S+ 0 0 4 -4,-2.2 58,-2.2 -5,-0.2 59,-0.4 0.790 130.5 16.4 -76.4 -33.2 -13.2 33.0 86.4 81 81 C V H <5S+ 0 0 25 -4,-2.3 -3,-0.2 57,-0.2 -2,-0.1 0.772 136.2 13.2-113.0 -43.9 -14.1 29.3 86.0 82 82 C S X< + 0 0 5 -4,-1.3 4,-2.9 -5,-0.6 3,-0.4 -0.308 65.2 145.3-141.2 49.9 -17.8 28.5 86.6 83 83 C P T 4 S+ 0 0 46 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.842 74.5 53.8 -62.2 -33.8 -19.8 31.8 86.7 84 84 C Q T 4 S+ 0 0 183 54,-0.4 -2,-0.1 1,-0.2 -5,-0.1 0.841 120.6 30.5 -73.3 -30.1 -22.9 30.3 85.1 85 85 C E T >4 S- 0 0 108 -3,-0.4 3,-0.6 1,-0.2 -1,-0.2 0.693 96.9-160.2-102.0 -22.5 -23.2 27.4 87.6 86 86 C G G >< - 0 0 18 -4,-2.9 3,-1.9 -8,-0.2 4,-0.3 -0.323 53.3 -19.2 81.3-158.4 -21.7 29.1 90.7 87 87 C C G >> S+ 0 0 84 1,-0.3 4,-1.8 2,-0.2 3,-1.4 0.811 126.9 65.9 -57.1 -34.7 -20.3 27.5 93.8 88 88 C T G <4 S+ 0 0 45 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.1 0.456 76.3 84.3 -76.6 1.1 -22.0 24.2 93.2 89 89 C Y G <4 S+ 0 0 37 -3,-1.9 -1,-0.3 -7,-0.2 15,-0.2 0.931 116.4 11.9 -59.9 -40.0 -20.0 23.5 90.1 90 90 C C T <4 S+ 0 0 21 -3,-1.4 11,-0.4 -4,-0.3 14,-0.4 0.713 122.9 70.8-106.9 -27.5 -17.3 22.1 92.5 91 91 C H S < S- 0 0 30 -4,-1.8 2,-0.6 9,-0.1 5,-0.1 -0.705 76.3-122.7-103.8 140.5 -19.1 21.9 95.8 92 92 C D B > -C 95 0C 57 3,-0.7 3,-2.1 6,-0.4 6,-0.2 -0.739 33.0-135.9 -63.3 116.9 -21.9 19.6 97.2 93 93 C E T 3 S+ 0 0 147 -2,-0.6 3,-0.2 1,-0.3 -1,-0.1 0.734 100.9 46.5 -57.6 -23.6 -24.3 22.4 98.1 94 94 C N T 3 S+ 0 0 150 1,-0.2 -1,-0.3 2,-0.0 2,-0.2 0.424 122.4 30.6 -98.1 2.5 -25.0 20.7 101.5 95 95 C N B X -C 92 0C 78 -3,-2.1 3,-1.5 3,-0.1 -3,-0.7 -0.641 57.0-174.0-163.0 96.1 -21.4 20.1 102.5 96 96 C L T 3 S+ 0 0 109 1,-0.3 -3,-0.1 -3,-0.2 -1,-0.1 0.635 86.3 61.8 -74.9 -13.9 -18.6 22.4 101.3 97 97 C A T 3 S+ 0 0 25 -5,-0.1 -1,-0.3 -6,-0.1 2,-0.2 0.570 82.2 110.3 -79.5 -12.2 -15.9 20.1 102.8 98 98 C S < - 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