==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 19-DEC-07 2VKG . COMPND 2 MOLECULE: DODECIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOBACTERIUM SALINARUM; . AUTHOR M.GRININGER,G.NOELL,S.TRAWOEGER,E.SINNER,D.OESTERHELT . 62 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4364.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 46 74.2 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 . 25 40.3 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 . 1 1.6 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 . 7 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 21.0 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+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 0 0 0 0 0 0 0 0 0 0 1 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 . 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 V 0 0 135 0, 0.0 60,-2.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 132.7 2.2 22.7 -13.3 2 3 A F E -A 60 0A 106 58,-0.2 2,-0.4 56,-0.0 58,-0.2 -0.830 360.0-162.1-104.3 151.0 4.4 21.2 -10.5 3 4 A K E -A 59 0A 114 56,-2.5 56,-2.6 -2,-0.3 2,-0.4 -0.961 6.3-149.7-128.0 148.1 7.1 18.6 -11.1 4 5 A K E -A 58 0A 90 -2,-0.4 2,-0.4 54,-0.2 54,-0.2 -0.948 3.7-160.7-118.5 140.0 8.7 16.4 -8.4 5 6 A V E -A 57 0A 39 52,-1.9 52,-2.8 -2,-0.4 2,-0.9 -0.956 21.3-129.6-115.7 144.0 12.3 15.0 -8.3 6 7 A L E +A 56 0A 94 -2,-0.4 2,-0.4 50,-0.2 50,-0.2 -0.790 38.0 170.2-101.9 101.4 13.1 12.0 -6.1 7 8 A L E -A 55 0A 48 48,-2.6 48,-3.1 -2,-0.9 2,-0.6 -0.910 28.3-150.8-120.3 141.9 16.0 12.8 -3.9 8 9 A T E -A 54 0A 69 -2,-0.4 46,-0.3 46,-0.3 2,-0.2 -0.945 19.0-163.4-111.0 112.4 17.7 11.1 -0.9 9 10 A G E -A 53 0A 0 44,-2.7 44,-1.8 -2,-0.6 2,-0.3 -0.587 5.7-149.8 -90.1 159.6 19.4 13.5 1.5 10 11 A T E +A 52 0A 63 42,-0.2 2,-0.3 -2,-0.2 42,-0.2 -0.966 18.0 168.6-133.9 150.6 21.9 12.4 4.1 11 12 A S E -A 51 0A 17 40,-2.3 40,-2.8 -2,-0.3 7,-0.1 -0.976 34.5-146.1-155.4 144.2 23.0 13.5 7.5 12 13 A E S S+ 0 0 118 -2,-0.3 37,-0.2 38,-0.2 3,-0.1 0.382 101.3 48.6 -85.5 5.3 25.2 12.2 10.4 13 14 A E S S- 0 0 151 1,-0.3 2,-0.3 38,-0.1 -1,-0.1 0.841 112.2 -24.3-110.3 -55.0 22.8 14.0 12.7 14 15 A S > - 0 0 49 37,-0.1 4,-1.5 1,-0.1 -1,-0.3 -0.992 49.3-105.9-159.7 161.7 19.0 13.3 12.1 15 16 A F H > S+ 0 0 80 -2,-0.3 4,-2.1 2,-0.2 5,-0.2 0.869 120.2 53.9 -58.9 -39.9 16.2 12.4 9.7 16 17 A T H > S+ 0 0 105 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.946 108.9 47.6 -60.8 -47.6 15.2 16.1 9.7 17 18 A A H > S+ 0 0 31 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.800 109.0 54.5 -67.0 -28.6 18.7 17.2 8.7 18 19 A A H X S+ 0 0 0 -4,-1.5 4,-1.7 2,-0.2 3,-0.5 0.933 107.6 50.3 -72.2 -36.7 18.8 14.5 6.0 19 20 A A H X S+ 0 0 18 -4,-2.1 4,-2.2 1,-0.2 3,-0.2 0.947 109.2 51.8 -60.4 -45.1 15.5 15.9 4.5 20 21 A D H X S+ 0 0 86 -4,-2.3 4,-3.1 1,-0.2 -1,-0.2 0.817 103.5 58.4 -58.0 -30.1 17.1 19.4 4.6 21 22 A D H X S+ 0 0 69 -4,-1.0 4,-1.8 -3,-0.5 -1,-0.2 0.898 108.8 45.4 -76.3 -40.7 20.2 18.0 2.6 22 23 A A H X S+ 0 0 3 -4,-1.7 4,-2.4 -3,-0.2 -1,-0.2 0.930 114.1 47.5 -66.0 -44.3 18.0 16.9 -0.2 23 24 A I H X S+ 0 0 40 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.909 108.6 55.9 -64.0 -41.9 16.0 20.2 -0.2 24 25 A D H X S+ 0 0 85 -4,-3.1 4,-1.4 1,-0.2 -1,-0.2 0.922 109.3 46.6 -52.7 -48.7 19.3 22.2 -0.1 25 26 A R H X S+ 0 0 149 -4,-1.8 4,-0.7 2,-0.2 3,-0.3 0.915 110.7 51.9 -63.5 -46.8 20.5 20.4 -3.3 26 27 A A H >X S+ 0 0 3 -4,-2.4 4,-2.7 1,-0.2 3,-1.2 0.930 110.4 48.9 -53.1 -48.0 17.1 21.0 -5.0 27 28 A E H 3< S+ 0 0 115 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.725 104.9 59.3 -69.0 -24.6 17.3 24.7 -4.2 28 29 A D H 3< S+ 0 0 124 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.738 121.9 23.3 -65.1 -24.9 20.9 24.9 -5.6 29 30 A T H << S+ 0 0 87 -3,-1.2 2,-0.3 -4,-0.7 -2,-0.2 0.632 116.5 57.5-125.0 -27.1 19.7 23.7 -8.9 30 31 A L < - 0 0 46 -4,-2.7 3,-0.3 -5,-0.2 2,-0.3 -0.857 64.1-135.5-121.4 147.5 16.0 24.5 -9.3 31 32 A D S S+ 0 0 133 -2,-0.3 29,-0.1 1,-0.2 31,-0.1 -0.740 82.4 20.7 -95.7 152.4 13.9 27.5 -9.2 32 33 A N - 0 0 89 -2,-0.3 28,-2.4 1,-0.2 2,-0.4 0.852 68.8-179.8 62.9 43.0 10.5 27.7 -7.3 33 34 A V E +B 59 0A 30 -3,-0.3 26,-0.3 26,-0.2 -1,-0.2 -0.629 6.6 169.0 -70.0 125.5 10.9 24.8 -4.9 34 35 A V E - 0 0 77 24,-2.8 2,-0.3 -2,-0.4 25,-0.2 0.750 48.5 -8.8-118.4 -32.0 7.7 24.8 -2.9 35 36 A W E -B 58 0A 98 23,-1.4 23,-3.0 2,-0.0 -1,-0.4 -0.986 46.8-143.8-160.7 168.7 7.4 21.6 -0.9 36 37 A A E -B 57 0A 37 -2,-0.3 2,-0.5 21,-0.2 21,-0.2 -0.994 8.0-155.5-137.2 144.2 8.8 18.2 -0.1 37 38 A E E -B 56 0A 83 19,-2.3 19,-2.6 -2,-0.3 2,-0.3 -0.987 21.6-128.5-119.6 124.7 7.0 14.9 0.8 38 39 A V E +B 55 0A 82 -2,-0.5 17,-0.3 17,-0.2 3,-0.1 -0.574 32.8 167.4 -70.9 129.9 8.9 12.3 2.8 39 40 A V E + 0 0 69 15,-2.9 2,-0.3 1,-0.4 16,-0.2 0.567 61.5 0.3-116.8 -17.3 8.7 8.9 1.1 40 41 A D E -B 54 0A 102 14,-1.3 14,-3.3 2,-0.0 -1,-0.4 -0.949 52.3-160.5-167.1 154.6 11.3 6.8 3.0 41 42 A Q E +B 53 0A 102 -2,-0.3 2,-0.3 12,-0.2 12,-0.2 -0.995 20.8 153.7-140.3 146.3 13.8 7.0 5.7 42 43 A G E -B 52 0A 30 10,-2.4 10,-3.2 -2,-0.3 2,-0.4 -0.917 31.7-125.3-156.6 179.0 16.8 4.8 6.5 43 44 A V E -B 51 0A 59 -2,-0.3 2,-0.5 8,-0.2 8,-0.2 -0.990 10.7-147.3-140.0 124.5 20.3 4.5 8.1 44 45 A A E -B 50 0A 47 6,-2.7 6,-2.6 -2,-0.4 2,-0.7 -0.843 21.3-154.5 -86.7 126.0 23.5 3.4 6.5 45 46 A I E +B 49 0A 133 -2,-0.5 4,-0.2 4,-0.2 2,-0.1 -0.893 42.7 112.4-114.4 99.3 25.5 1.7 9.3 46 47 A G S S- 0 0 62 2,-2.2 3,-0.1 -2,-0.7 -1,-0.0 -0.083 89.9 -27.8-124.8-128.6 29.3 1.8 8.8 47 48 A A S S+ 0 0 115 -2,-0.1 2,-0.3 1,-0.1 -2,-0.0 0.897 140.8 10.0 -57.6 -42.6 32.1 3.6 10.7 48 49 A V S S- 0 0 76 -4,-0.0 -2,-2.2 2,-0.0 2,-0.5 -0.819 91.7-103.4-126.8 168.4 29.4 6.1 11.5 49 50 A R E - B 0 45A 159 -2,-0.3 2,-0.6 -4,-0.2 -4,-0.2 -0.842 28.9-161.4 -95.4 133.6 25.7 6.1 11.1 50 51 A T E - B 0 44A 31 -6,-2.6 -6,-2.7 -2,-0.5 -38,-0.2 -0.963 9.9-146.1-116.5 112.7 24.3 8.1 8.2 51 52 A Y E -AB 11 43A 56 -40,-2.8 -40,-2.3 -2,-0.6 2,-0.4 -0.542 16.8-162.5 -75.5 136.0 20.6 9.0 8.4 52 53 A Q E -AB 10 42A 71 -10,-3.2 -10,-2.4 -2,-0.2 2,-0.4 -0.986 12.6-174.0-125.6 138.4 18.9 9.2 5.1 53 54 A T E -AB 9 41A 1 -44,-1.8 -44,-2.7 -2,-0.4 2,-0.5 -0.985 12.4-153.0-131.7 121.0 15.6 10.7 4.2 54 55 A E E +AB 8 40A 48 -14,-3.3 -15,-2.9 -2,-0.4 -14,-1.3 -0.818 21.3 180.0 -96.4 129.9 14.1 10.3 0.8 55 56 A V E -AB 7 38A 1 -48,-3.1 -48,-2.6 -2,-0.5 2,-0.7 -0.978 34.1-133.5-131.6 140.6 11.8 13.1 -0.4 56 57 A Q E -AB 6 37A 55 -19,-2.6 -19,-2.3 -2,-0.4 2,-0.6 -0.872 32.2-154.9 -81.1 116.4 9.7 14.0 -3.4 57 58 A V E -AB 5 36A 0 -52,-2.8 -52,-1.9 -2,-0.7 2,-0.4 -0.891 6.2-153.4-101.8 115.6 10.7 17.7 -3.9 58 59 A A E +AB 4 35A 0 -23,-3.0 -24,-2.8 -2,-0.6 -23,-1.4 -0.735 16.3 176.2 -92.0 134.3 8.0 19.7 -5.7 59 60 A F E -AB 3 33A 14 -56,-2.6 -56,-2.5 -2,-0.4 2,-0.5 -0.980 32.0-113.1-135.4 148.9 8.8 22.8 -7.8 60 61 A E E -A 2 0A 92 -28,-2.4 -58,-0.2 -2,-0.3 2,-0.1 -0.704 35.4-124.5 -85.2 128.3 6.6 25.0 -9.9 61 62 A L 0 0 77 -60,-2.8 -1,-0.0 -2,-0.5 -29,-0.0 -0.444 360.0 360.0 -78.3 147.5 7.4 24.9 -13.7 62 63 A D 0 0 201 -2,-0.1 -2,-0.1 -31,-0.1 0, 0.0 0.723 360.0 360.0 95.6 360.0 8.3 28.0 -15.8