==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER FLAVOPROTEIN 31-MAR-06 2CJC . COMPND 2 MOLECULE: VNG1446H; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOBACTERIUM SALINARIUM; . AUTHOR M.GRININGER,F.SEILER,K.ZETH,D.OESTERHELT . 64 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4511.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 43 67.2 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 . 24 37.5 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 . 5 7.8 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 20.3 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 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 2 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 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 0 127 0, 0.0 62,-3.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 131.6 2.2 22.7 -13.2 2 3 A F E -A 62 0A 106 60,-0.2 2,-0.4 58,-0.0 60,-0.2 -0.798 360.0-161.1-104.0 149.4 4.5 21.2 -10.5 3 4 A K E -A 61 0A 111 58,-2.8 58,-2.6 -2,-0.3 2,-0.4 -0.955 7.4-147.2-124.6 151.6 7.2 18.7 -11.1 4 5 A K E -A 60 0A 87 -2,-0.4 2,-0.4 56,-0.2 56,-0.2 -0.924 5.9-162.3-118.0 141.6 8.8 16.4 -8.5 5 6 A V E -A 59 0A 40 54,-2.2 54,-3.2 -2,-0.4 2,-0.9 -0.971 20.2-132.9-119.4 145.5 12.3 15.0 -8.3 6 7 A L E +A 58 0A 91 -2,-0.4 2,-0.4 52,-0.2 52,-0.2 -0.814 35.7 170.5-104.4 106.8 13.0 12.1 -6.0 7 8 A L E -A 57 0A 49 50,-2.6 50,-3.4 -2,-0.9 2,-0.6 -0.920 27.4-149.8-122.1 143.3 16.1 12.8 -3.9 8 9 A T E -A 56 0A 69 -2,-0.4 48,-0.3 48,-0.3 2,-0.2 -0.952 18.9-165.0-113.0 112.6 17.7 11.0 -1.0 9 10 A G E -A 55 0A 0 46,-2.5 46,-2.1 -2,-0.6 2,-0.3 -0.607 5.1-151.5 -90.6 161.0 19.5 13.4 1.4 10 11 A T E +A 54 0A 63 44,-0.2 2,-0.3 -2,-0.2 44,-0.2 -0.928 17.0 169.7-135.8 153.3 22.0 12.2 4.0 11 12 A S E -A 53 0A 17 42,-1.9 42,-2.9 -2,-0.3 7,-0.1 -0.948 34.5-145.1-160.2 143.2 23.1 13.4 7.5 12 13 A E S S+ 0 0 102 -2,-0.3 39,-0.1 40,-0.2 3,-0.1 0.464 100.8 51.3 -86.7 2.1 25.2 12.1 10.4 13 14 A E S S- 0 0 143 1,-0.3 2,-0.3 40,-0.1 -1,-0.1 0.897 111.8 -28.2-103.0 -56.9 22.8 14.0 12.7 14 15 A S > - 0 0 47 39,-0.1 4,-1.7 1,-0.1 -1,-0.3 -0.982 49.3-104.0-158.5 161.9 19.1 13.3 12.1 15 16 A F H > S+ 0 0 74 -2,-0.3 4,-2.2 2,-0.2 5,-0.2 0.852 121.0 53.7 -58.7 -38.4 16.3 12.4 9.7 16 17 A T H > S+ 0 0 101 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.943 108.6 48.3 -63.5 -43.3 15.2 16.0 9.6 17 18 A A H > S+ 0 0 30 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.839 109.0 53.4 -66.9 -33.7 18.7 17.1 8.7 18 19 A A H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.920 108.5 50.0 -65.7 -42.0 18.9 14.4 5.9 19 20 A A H X S+ 0 0 16 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.950 110.3 50.5 -57.3 -46.0 15.6 15.8 4.5 20 21 A D H X S+ 0 0 82 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.864 104.1 58.9 -59.6 -38.1 17.2 19.3 4.6 21 22 A D H X S+ 0 0 71 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.909 109.8 43.0 -57.3 -43.6 20.2 18.0 2.7 22 23 A A H X S+ 0 0 3 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.917 114.6 49.0 -69.4 -42.4 18.0 16.9 -0.2 23 24 A I H X S+ 0 0 40 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.916 108.6 53.9 -66.4 -40.4 16.0 20.0 -0.2 24 25 A D H X S+ 0 0 85 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.902 108.6 50.1 -58.0 -46.1 19.2 22.2 -0.1 25 26 A R H X S+ 0 0 150 -4,-1.7 4,-0.9 -5,-0.2 3,-0.4 0.929 110.4 49.2 -58.7 -45.4 20.4 20.3 -3.2 26 27 A A H >X S+ 0 0 4 -4,-2.3 4,-1.8 1,-0.2 3,-1.0 0.928 109.9 51.3 -59.1 -46.9 17.1 20.9 -5.0 27 28 A E H 3< S+ 0 0 114 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.723 102.4 63.0 -66.0 -22.1 17.2 24.6 -4.1 28 29 A D H 3< S+ 0 0 124 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.786 120.8 19.1 -67.3 -32.6 20.8 24.8 -5.5 29 30 A T H << S+ 0 0 96 -3,-1.0 2,-0.4 -4,-0.9 -2,-0.2 0.455 116.4 64.3-123.5 -2.0 19.7 23.9 -9.0 30 31 A L < - 0 0 51 -4,-1.8 3,-0.4 -5,-0.1 2,-0.3 -0.952 64.3-137.5-128.1 145.0 15.9 24.5 -9.2 31 32 A D S S+ 0 0 127 -2,-0.4 31,-0.1 1,-0.2 -3,-0.1 -0.739 80.3 19.1 -94.9 150.9 13.8 27.6 -9.0 32 33 A N - 0 0 91 -2,-0.3 30,-2.4 1,-0.2 2,-0.4 0.853 67.9-177.7 66.3 43.5 10.5 27.7 -7.2 33 34 A V E +B 61 0A 32 -3,-0.4 28,-0.3 28,-0.3 -1,-0.2 -0.602 5.9 173.1 -67.1 127.9 10.9 24.7 -4.9 34 35 A V E - 0 0 69 26,-3.1 2,-0.3 1,-0.4 27,-0.2 0.758 49.0 -12.6-117.4 -33.8 7.5 24.7 -3.0 35 36 A W E -B 60 0A 98 25,-1.3 25,-2.9 2,-0.0 -1,-0.4 -0.984 47.9-143.7-162.9 166.4 7.3 21.5 -0.9 36 37 A A E -B 59 0A 36 -2,-0.3 2,-0.5 23,-0.2 23,-0.2 -0.989 8.7-153.6-138.4 144.9 8.8 18.1 -0.1 37 38 A E E -B 58 0A 82 21,-2.2 21,-2.6 -2,-0.3 2,-0.4 -0.989 20.0-129.0-118.2 127.3 7.1 14.8 0.8 38 39 A V E +B 57 0A 83 -2,-0.5 19,-0.3 19,-0.2 3,-0.1 -0.597 32.2 168.4 -73.8 128.8 9.0 12.2 2.8 39 40 A V E - 0 0 68 17,-3.0 2,-0.3 -2,-0.4 18,-0.2 0.586 61.4 -0.6-116.0 -14.9 8.7 8.9 1.2 40 41 A D E -B 56 0A 106 16,-1.3 16,-3.1 2,-0.0 -1,-0.4 -0.951 52.5-160.8-166.0 156.4 11.3 6.7 3.0 41 42 A Q E +B 55 0A 107 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.986 21.0 156.2-143.2 144.9 13.9 6.9 5.8 42 43 A G E -B 54 0A 30 12,-2.5 12,-3.3 -2,-0.3 2,-0.4 -0.930 32.1-124.9-157.2 176.4 16.8 4.7 6.5 43 44 A V E -B 53 0A 59 -2,-0.3 2,-0.5 10,-0.2 10,-0.2 -0.997 13.3-146.8-138.5 123.8 20.2 4.4 8.2 44 45 A E E +B 52 0A 61 8,-3.1 8,-2.4 -2,-0.4 -2,-0.0 -0.825 31.0 155.8 -89.8 131.7 23.4 3.4 6.5 45 46 A I + 0 0 114 -2,-0.5 3,-0.4 6,-0.2 -1,-0.2 0.686 66.3 46.1-122.8 -47.9 25.6 1.5 9.0 46 47 A G S S+ 0 0 75 1,-0.2 -2,-0.1 5,-0.0 5,-0.0 0.869 110.1 46.0 -70.4 -46.5 27.9 -0.7 6.9 47 48 A A S S+ 0 0 86 2,-0.0 2,-0.2 0, 0.0 -1,-0.2 0.538 110.0 59.1 -79.7 -5.1 29.2 1.6 4.0 48 49 A V S S- 0 0 55 -3,-0.4 3,-0.1 1,-0.1 4,-0.0 -0.752 74.6-127.3-124.0 164.8 30.1 4.6 6.3 49 50 A E S S+ 0 0 207 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.968 99.8 23.5 -72.2 -61.4 32.2 5.5 9.3 50 51 A E S S- 0 0 89 1,-0.1 -1,-0.1 0, 0.0 -6,-0.1 -0.785 107.6 -83.0 -98.7 155.0 29.5 7.0 11.5 51 52 A R - 0 0 148 -2,-0.3 2,-0.5 -39,-0.1 -6,-0.2 -0.292 45.8-151.3 -49.6 135.4 25.8 6.1 11.1 52 53 A T E - B 0 44A 11 -8,-2.4 -8,-3.1 -4,-0.0 -40,-0.2 -0.973 1.4-145.9-121.7 118.2 24.3 8.1 8.3 53 54 A Y E -AB 11 43A 53 -42,-2.9 -42,-1.9 -2,-0.5 2,-0.4 -0.542 16.8-162.8 -77.6 136.9 20.5 8.9 8.4 54 55 A Q E -AB 10 42A 62 -12,-3.3 -12,-2.5 -2,-0.2 2,-0.4 -0.991 10.1-173.3-127.6 137.5 18.9 9.0 5.0 55 56 A T E -AB 9 41A 1 -46,-2.1 -46,-2.5 -2,-0.4 2,-0.5 -0.989 12.3-152.2-132.4 119.2 15.6 10.6 4.2 56 57 A E E -AB 8 40A 48 -16,-3.1 -17,-3.0 -2,-0.4 -16,-1.3 -0.811 21.5-179.2 -92.7 131.7 14.2 10.2 0.7 57 58 A V E -AB 7 38A 1 -50,-3.4 -50,-2.6 -2,-0.5 2,-0.7 -0.974 32.8-134.8-131.7 143.5 11.9 13.1 -0.4 58 59 A Q E -AB 6 37A 54 -21,-2.6 -21,-2.2 -2,-0.4 2,-0.6 -0.892 31.4-156.0 -85.6 115.6 9.8 14.0 -3.5 59 60 A V E -AB 5 36A 0 -54,-3.2 -54,-2.2 -2,-0.7 2,-0.4 -0.892 5.0-153.7-100.5 119.8 10.7 17.6 -3.9 60 61 A A E +AB 4 35A 0 -25,-2.9 -26,-3.1 -2,-0.6 -25,-1.3 -0.750 15.4 177.3 -94.4 136.4 8.1 19.6 -5.8 61 62 A F E -AB 3 33A 14 -58,-2.6 -58,-2.8 -2,-0.4 2,-0.4 -0.983 31.5-112.6-139.7 145.7 8.9 22.8 -7.8 62 63 A E E -A 2 0A 89 -30,-2.4 -60,-0.2 -2,-0.3 2,-0.2 -0.663 29.9-133.1 -82.1 128.8 6.7 25.0 -9.9 63 64 A L 0 0 63 -62,-3.1 -1,-0.0 -2,-0.4 -31,-0.0 -0.522 360.0 360.0 -77.8 147.9 7.4 24.9 -13.6 64 65 A D 0 0 199 -2,-0.2 -1,-0.1 -33,-0.0 -2,-0.1 -0.401 360.0 360.0 68.0 360.0 7.6 28.2 -15.6