==== 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 2VKF . 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) . 4355.0 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 0 134 0, 0.0 60,-2.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 134.6 2.2 22.6 -13.2 2 3 A F E -A 60 0A 105 58,-0.2 2,-0.4 56,-0.0 58,-0.2 -0.806 360.0-160.4-104.3 150.3 4.4 21.1 -10.5 3 4 A K E -A 59 0A 115 56,-2.5 56,-2.7 -2,-0.3 2,-0.4 -0.964 6.6-150.6-125.8 146.5 7.2 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 -0.949 4.4-162.0-118.2 138.2 8.7 16.4 -8.4 5 6 A V E -A 57 0A 42 52,-2.0 52,-2.9 -2,-0.4 2,-0.8 -0.943 20.8-129.9-113.3 147.1 12.2 15.0 -8.2 6 7 A L E +A 56 0A 93 -2,-0.4 2,-0.4 50,-0.2 50,-0.2 -0.829 37.1 170.0-103.2 104.7 13.0 12.0 -6.0 7 8 A L E -A 55 0A 48 48,-2.6 48,-3.3 -2,-0.8 2,-0.6 -0.913 27.6-149.9-121.0 143.4 16.1 12.8 -3.9 8 9 A T E -A 54 0A 70 -2,-0.4 46,-0.3 46,-0.3 2,-0.2 -0.954 19.1-163.1-112.3 113.2 17.7 11.0 -0.9 9 10 A G E -A 53 0A 0 44,-2.8 44,-1.9 -2,-0.6 2,-0.3 -0.595 4.6-151.0 -90.7 160.7 19.4 13.4 1.5 10 11 A T E +A 52 0A 61 42,-0.2 2,-0.3 -2,-0.2 42,-0.2 -0.959 18.0 167.1-135.3 150.4 21.9 12.3 4.1 11 12 A S E -A 51 0A 18 40,-2.2 40,-3.0 -2,-0.3 7,-0.1 -0.966 34.9-145.0-157.7 143.7 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 0.356 101.0 50.4 -87.0 8.2 25.1 12.1 10.4 13 14 A E S S- 0 0 151 1,-0.3 2,-0.3 38,-0.1 -1,-0.1 0.832 112.0 -26.9-111.4 -51.7 22.7 13.9 12.7 14 15 A S > - 0 0 47 37,-0.1 4,-1.7 1,-0.1 -1,-0.3 -0.995 49.0-104.4-164.3 161.5 19.0 13.3 12.1 15 16 A F H > S+ 0 0 79 -2,-0.3 4,-2.1 2,-0.2 5,-0.2 0.872 120.5 53.6 -60.0 -41.0 16.2 12.3 9.7 16 17 A T H > S+ 0 0 104 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.940 109.0 48.1 -59.3 -46.7 15.1 16.0 9.6 17 18 A A H > S+ 0 0 28 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.834 109.3 54.1 -64.1 -31.1 18.7 17.1 8.7 18 19 A A H X S+ 0 0 0 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.924 107.7 49.1 -70.4 -41.4 18.8 14.4 6.0 19 20 A A H X S+ 0 0 16 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.931 110.8 51.8 -58.7 -45.2 15.5 15.8 4.5 20 21 A D H X S+ 0 0 82 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.856 103.2 58.3 -59.5 -38.3 17.1 19.3 4.6 21 22 A D H X S+ 0 0 67 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.902 108.7 45.1 -59.3 -43.1 20.2 18.0 2.7 22 23 A A H X S+ 0 0 3 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.925 113.9 48.7 -65.8 -43.7 18.0 16.9 -0.2 23 24 A I H X S+ 0 0 41 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.913 107.5 56.0 -65.4 -41.9 16.1 20.1 -0.2 24 25 A D H X S+ 0 0 84 -4,-3.0 4,-1.2 1,-0.2 -1,-0.2 0.912 109.3 46.8 -53.0 -46.9 19.4 22.1 -0.1 25 26 A R H X S+ 0 0 147 -4,-1.8 4,-0.9 2,-0.2 3,-0.4 0.922 110.7 51.7 -64.8 -46.1 20.5 20.3 -3.2 26 27 A A H >X S+ 0 0 1 -4,-2.4 4,-2.8 1,-0.2 3,-1.1 0.936 110.0 49.4 -52.8 -49.5 17.1 20.9 -5.0 27 28 A E H 3< S+ 0 0 115 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.722 103.7 61.2 -67.4 -23.3 17.3 24.6 -4.2 28 29 A D H 3< S+ 0 0 127 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.767 121.6 20.6 -68.6 -28.6 20.9 24.8 -5.6 29 30 A T H << S+ 0 0 90 -3,-1.1 2,-0.3 -4,-0.9 -2,-0.2 0.644 116.7 63.1-117.0 -22.6 19.8 23.7 -9.0 30 31 A L < - 0 0 47 -4,-2.8 3,-0.3 -5,-0.2 2,-0.3 -0.819 63.9-138.6-116.9 147.0 16.1 24.4 -9.3 31 32 A D S S+ 0 0 134 -2,-0.3 29,-0.1 1,-0.2 31,-0.0 -0.733 80.9 19.7 -95.1 152.1 13.9 27.5 -9.2 32 33 A N + 0 0 88 -2,-0.3 28,-2.4 1,-0.2 2,-0.4 0.863 69.5 179.9 61.8 43.5 10.5 27.7 -7.3 33 34 A V E +B 59 0A 33 -3,-0.3 26,-0.3 26,-0.3 -1,-0.2 -0.652 6.1 169.2 -70.8 128.4 11.0 24.8 -5.0 34 35 A V E - 0 0 74 24,-3.0 2,-0.3 -2,-0.4 25,-0.2 0.792 48.3 -8.4-118.5 -38.9 7.8 24.7 -2.9 35 36 A W E -B 58 0A 93 23,-1.3 23,-3.0 2,-0.0 -1,-0.4 -0.976 46.2-145.4-156.2 169.3 7.4 21.5 -0.9 36 37 A A E -B 57 0A 36 -2,-0.3 2,-0.5 21,-0.2 21,-0.2 -0.992 8.6-154.5-139.0 143.0 8.8 18.1 -0.1 37 38 A E E -B 56 0A 84 19,-2.4 19,-2.5 -2,-0.3 2,-0.3 -0.985 22.1-127.2-118.3 127.1 7.1 14.9 0.9 38 39 A V E +B 55 0A 83 -2,-0.5 17,-0.3 17,-0.2 3,-0.1 -0.584 33.6 167.6 -74.2 130.8 9.0 12.2 2.8 39 40 A V E + 0 0 66 15,-3.0 2,-0.3 1,-0.4 16,-0.2 0.587 61.3 3.0-118.6 -17.1 8.7 8.9 1.1 40 41 A D E -B 54 0A 108 14,-1.4 14,-2.9 2,-0.0 -1,-0.4 -0.966 53.7-164.5-162.9 155.1 11.4 6.7 3.0 41 42 A Q E +B 53 0A 109 -2,-0.3 2,-0.3 12,-0.2 12,-0.2 -0.993 21.0 145.8-142.2 145.5 13.8 6.9 5.8 42 43 A G E -B 52 0A 28 10,-2.4 10,-3.2 -2,-0.3 2,-0.4 -0.936 35.1-118.6-161.8-174.0 16.8 4.7 6.8 43 44 A V E -B 51 0A 58 -2,-0.3 2,-0.6 8,-0.2 8,-0.2 -0.994 10.9-144.5-144.6 125.3 20.2 4.5 8.3 44 45 A A E -B 50 0A 44 6,-2.9 6,-2.7 -2,-0.4 2,-0.8 -0.849 22.8-153.4 -86.7 122.2 23.5 3.4 6.7 45 46 A I E +B 49 0A 134 -2,-0.6 4,-0.2 4,-0.2 2,-0.1 -0.808 43.6 114.2-109.8 91.8 25.4 1.7 9.6 46 47 A G S S- 0 0 60 2,-2.5 3,-0.1 -2,-0.8 -1,-0.0 -0.005 88.6 -31.5-122.4-135.5 29.2 1.9 9.0 47 48 A A S S+ 0 0 116 -2,-0.1 2,-0.3 1,-0.0 -2,-0.0 0.901 141.2 10.9 -54.4 -42.1 32.1 3.5 10.8 48 49 A V S S- 0 0 77 -4,-0.0 -2,-2.5 2,-0.0 2,-0.5 -0.829 92.5-104.9-126.1 167.3 29.4 6.1 11.6 49 50 A R E - B 0 45A 157 -2,-0.3 2,-0.6 -4,-0.2 -4,-0.2 -0.858 28.9-161.4 -94.1 132.8 25.6 6.1 11.1 50 51 A T E - B 0 44A 31 -6,-2.7 -6,-2.9 -2,-0.5 2,-0.3 -0.964 9.3-146.7-116.0 114.3 24.3 8.1 8.2 51 52 A Y E -AB 11 43A 56 -40,-3.0 -40,-2.2 -2,-0.6 2,-0.4 -0.587 16.7-163.5 -77.1 137.2 20.6 9.0 8.4 52 53 A Q E -AB 10 42A 73 -10,-3.2 -10,-2.4 -2,-0.3 2,-0.4 -0.983 12.5-174.3-126.2 141.1 18.9 9.1 5.1 53 54 A T E -AB 9 41A 1 -44,-1.9 -44,-2.8 -2,-0.4 2,-0.5 -0.986 12.9-152.0-135.2 122.0 15.6 10.6 4.1 54 55 A E E -AB 8 40A 46 -14,-2.9 -15,-3.0 -2,-0.4 -14,-1.4 -0.817 21.8-178.9 -94.4 132.2 14.1 10.2 0.7 55 56 A V E -AB 7 38A 1 -48,-3.3 -48,-2.6 -2,-0.5 2,-0.7 -0.980 33.6-134.6-133.3 142.1 11.8 13.1 -0.4 56 57 A Q E -AB 6 37A 55 -19,-2.5 -19,-2.4 -2,-0.4 2,-0.6 -0.900 32.0-156.7 -84.0 118.7 9.8 14.0 -3.4 57 58 A V E -AB 5 36A 0 -52,-2.9 -52,-2.0 -2,-0.7 2,-0.4 -0.914 5.2-153.3-104.8 118.4 10.7 17.7 -3.9 58 59 A A E +AB 4 35A 0 -23,-3.0 -24,-3.0 -2,-0.6 -23,-1.3 -0.729 15.9 176.9 -95.2 134.3 8.1 19.6 -5.8 59 60 A F E -AB 3 33A 17 -56,-2.7 -56,-2.5 -2,-0.4 2,-0.5 -0.978 32.2-111.2-135.6 149.5 8.9 22.7 -7.8 60 61 A E E -A 2 0A 94 -28,-2.4 -58,-0.2 -2,-0.3 2,-0.1 -0.690 35.1-125.2 -84.2 127.5 6.7 25.0 -10.0 61 62 A L 0 0 76 -60,-2.9 -1,-0.0 -2,-0.5 -29,-0.0 -0.446 360.0 360.0 -75.1 144.9 7.4 24.8 -13.7 62 63 A D 0 0 200 -2,-0.1 -2,-0.0 -31,-0.0 0, 0.0 0.725 360.0 360.0 95.1 360.0 8.3 28.0 -15.8