==== 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 20-MAR-06 2CIF . COMPND 2 MOLECULE: VNG1446H; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOBACTERIUM SALINARIUM; . AUTHOR M.GRININGER,F.SEILER,K.ZETH,D.OESTERHELT . 61 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4351.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 43 70.5 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 39.3 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 . 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 . 4 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 21.3 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 60,-3.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 131.2 2.3 22.5 -13.1 2 3 A F E -A 60 0A 104 58,-0.2 2,-0.3 56,-0.0 58,-0.2 -0.649 360.0-161.9-105.5 164.7 4.5 21.0 -10.4 3 4 A K E -A 59 0A 114 56,-1.4 56,-2.3 -2,-0.2 2,-0.4 -0.920 5.5-149.2-137.2 161.1 7.2 18.6 -10.9 4 5 A K E -A 58 0A 86 -2,-0.3 2,-0.4 54,-0.2 54,-0.2 -0.966 6.3-160.4-136.5 147.4 9.0 16.4 -8.5 5 6 A V E -A 57 0A 36 52,-2.0 52,-3.3 -2,-0.4 2,-1.0 -0.985 20.6-132.3-127.5 147.7 12.3 14.9 -8.1 6 7 A L E +A 56 0A 95 -2,-0.4 2,-0.4 50,-0.2 50,-0.2 -0.830 39.9 166.3-100.2 92.1 13.1 11.8 -6.0 7 8 A L E -A 55 0A 52 48,-1.9 48,-4.6 -2,-1.0 2,-0.4 -0.917 28.1-150.6-115.4 146.1 16.1 12.8 -3.8 8 9 A T E -A 54 0A 67 -2,-0.4 46,-0.2 46,-0.3 2,-0.2 -0.960 13.7-165.9-110.6 121.1 17.8 11.1 -0.8 9 10 A G E -A 53 0A 0 44,-2.3 44,-1.2 -2,-0.4 2,-0.3 -0.600 4.3-160.3-102.7 164.5 19.6 13.4 1.7 10 11 A T E +A 52 0A 60 -2,-0.2 2,-0.3 7,-0.2 42,-0.2 -0.953 14.5 168.3-148.3 140.8 21.9 12.0 4.4 11 12 A S E -A 51 0A 19 40,-1.6 40,-2.2 -2,-0.3 7,-0.1 -0.951 35.2-136.9-143.9 153.6 23.1 13.6 7.6 12 13 A E S S+ 0 0 96 -2,-0.3 3,-0.1 38,-0.2 37,-0.1 0.417 100.5 52.7 -98.9 11.8 24.9 12.1 10.6 13 14 A E S S- 0 0 145 1,-0.3 2,-0.3 38,-0.1 -1,-0.1 0.799 113.7 -26.5-102.8 -55.2 22.7 13.9 13.0 14 15 A S > - 0 0 41 37,-0.2 4,-1.7 1,-0.1 -1,-0.3 -0.994 47.9-106.2-156.6 162.4 19.1 13.2 12.1 15 16 A F H > S+ 0 0 71 -2,-0.3 4,-2.0 2,-0.2 -1,-0.1 0.792 117.3 57.7 -46.1 -45.8 16.4 12.3 9.7 16 17 A T H > S+ 0 0 105 1,-0.2 4,-2.4 2,-0.2 3,-0.4 0.988 110.8 42.9 -59.4 -56.9 15.2 16.0 9.7 17 18 A A H > S+ 0 0 27 2,-0.2 4,-3.5 1,-0.2 -2,-0.2 0.851 108.2 59.8 -46.4 -39.7 18.7 17.1 8.6 18 19 A A H X S+ 0 0 0 -4,-1.7 4,-1.0 2,-0.2 35,-0.2 0.930 108.9 44.4 -65.6 -34.9 18.7 14.2 6.1 19 20 A A H >X S+ 0 0 16 -4,-2.0 4,-1.8 -3,-0.4 3,-1.7 0.999 112.0 51.4 -64.5 -66.3 15.6 15.8 4.6 20 21 A D H 3X S+ 0 0 90 -4,-2.4 4,-3.0 1,-0.3 5,-0.2 0.861 102.5 64.1 -37.9 -49.2 17.2 19.4 4.7 21 22 A D H 3X S+ 0 0 68 -4,-3.5 4,-0.7 1,-0.3 -1,-0.3 0.833 109.1 35.2 -44.0 -49.8 20.2 18.0 3.0 22 23 A A H < S+ 0 0 109 -4,-1.6 3,-0.5 -5,-0.2 -2,-0.2 0.944 103.4 59.0 -82.1 -44.2 17.4 24.5 -4.3 28 29 A D H 3< S+ 0 0 132 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.912 123.4 27.4 -34.9 -46.5 21.1 24.9 -5.4 29 30 A T H 3< S+ 0 0 89 -4,-2.3 2,-0.3 -5,-0.1 -2,-0.2 0.386 115.4 48.2-117.2 6.9 19.7 23.8 -8.8 30 31 A L << - 0 0 53 -4,-1.0 3,-0.4 -3,-0.5 2,-0.1 -0.997 64.7-132.7-138.9 146.0 16.1 24.7 -9.4 31 32 A D S S+ 0 0 139 -2,-0.3 -2,-0.0 1,-0.2 31,-0.0 -0.430 81.6 26.1 -88.4-177.2 14.0 27.7 -9.0 32 33 A N - 0 0 96 1,-0.2 28,-2.6 27,-0.1 2,-0.4 0.670 63.8-178.3 21.8 56.7 10.6 27.7 -7.2 33 34 A V E +B 59 0A 32 -3,-0.4 26,-0.3 26,-0.3 -1,-0.2 -0.594 3.1 177.9 -62.3 116.0 10.7 24.7 -4.9 34 35 A V E - 0 0 69 24,-2.5 2,-0.2 -2,-0.4 25,-0.2 0.911 50.6 -27.7 -99.7 -54.4 7.2 24.7 -3.2 35 36 A W E -B 58 0A 91 23,-0.7 23,-3.0 2,-0.0 -1,-0.3 -0.831 47.2-134.5-143.5-173.2 7.2 21.6 -1.0 36 37 A A E -B 57 0A 35 -2,-0.2 2,-0.4 21,-0.2 21,-0.2 -0.966 7.6-157.3-152.6 144.9 8.5 18.1 -0.1 37 38 A E E -B 56 0A 90 19,-1.9 19,-2.9 -2,-0.3 2,-0.5 -0.941 23.8-124.4-123.0 126.6 6.9 14.8 1.0 38 39 A V E +B 55 0A 85 -2,-0.4 17,-0.2 17,-0.2 3,-0.1 -0.674 31.1 170.5 -80.5 125.7 8.8 12.1 2.8 39 40 A V E - 0 0 64 15,-1.9 2,-0.3 -2,-0.5 16,-0.2 0.574 64.2 -8.6-109.5 -8.8 8.6 8.8 1.0 40 41 A D E -B 54 0A 103 14,-1.2 14,-2.1 2,-0.0 -1,-0.3 -0.979 51.1-159.9-178.4 167.3 11.2 6.8 3.0 41 42 A Q E +B 53 0A 105 12,-0.3 2,-0.3 -2,-0.3 12,-0.3 -0.961 18.7 159.0-163.6 140.5 13.9 7.0 5.8 42 43 A G E -B 52 0A 28 10,-2.0 10,-3.7 -2,-0.3 2,-0.4 -0.914 31.6-119.9-155.9-179.1 16.8 4.6 6.6 43 44 A V E -B 51 0A 56 -2,-0.3 2,-0.4 8,-0.3 8,-0.3 -0.977 15.7-140.0-136.4 120.2 20.2 4.6 8.4 44 45 A E E +B 50 0A 106 6,-4.1 6,-2.4 -2,-0.4 -2,-0.0 -0.671 38.8 147.8 -78.0 137.5 23.5 3.8 6.8 45 46 A I 0 0 126 -2,-0.4 -1,-0.2 4,-0.2 6,-0.0 0.589 360.0 360.0-135.5 -31.1 25.6 1.7 9.2 46 47 A G 0 0 109 2,-0.0 -2,-0.1 3,-0.0 3,-0.1 0.338 360.0 360.0-112.0 360.0 27.7 -0.5 6.9 47 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 48 51 A E 0 0 169 0, 0.0 2,-0.1 0, 0.0 -4,-0.1 0.000 360.0 360.0 360.0 139.6 29.6 7.0 11.5 49 52 A R - 0 0 142 -37,-0.1 2,-0.5 -3,-0.1 -4,-0.2 -0.335 360.0-156.7 -25.7 115.7 26.0 6.0 11.3 50 53 A T E - B 0 44A 24 -6,-2.4 -6,-4.1 -2,-0.1 -38,-0.2 -0.978 4.0-143.9-123.6 116.6 24.3 8.1 8.7 51 54 A Y E -AB 11 43A 60 -40,-2.2 -40,-1.6 -2,-0.5 2,-0.4 -0.582 16.6-158.7 -79.7 140.1 20.6 8.8 8.7 52 55 A Q E -AB 10 42A 61 -10,-3.7 -10,-2.0 -2,-0.2 2,-0.4 -0.954 15.1-176.2-123.0 149.2 18.7 9.1 5.3 53 56 A T E -AB 9 41A 0 -44,-1.2 -44,-2.3 -2,-0.4 2,-0.5 -0.982 15.3-152.3-138.5 117.2 15.4 10.7 4.3 54 57 A E E -AB 8 40A 47 -14,-2.1 -15,-1.9 -2,-0.4 -14,-1.2 -0.823 21.1-170.3 -94.3 136.2 14.2 10.2 0.7 55 58 A V E -AB 7 38A 3 -48,-4.6 -48,-1.9 -2,-0.5 2,-0.9 -0.899 29.8-138.4-124.0 148.2 12.0 13.1 -0.4 56 59 A Q E -AB 6 37A 52 -19,-2.9 -19,-1.9 -2,-0.3 2,-0.6 -0.933 34.0-153.1 -96.2 113.0 9.8 13.9 -3.4 57 60 A V E -AB 5 36A 0 -52,-3.3 -52,-2.0 -2,-0.9 2,-0.4 -0.793 6.4-151.8 -88.3 126.0 10.9 17.5 -3.8 58 61 A A E +AB 4 35A 0 -23,-3.0 -24,-2.5 -2,-0.6 -23,-0.7 -0.801 18.3 172.0-104.4 145.4 8.2 19.5 -5.5 59 62 A F E -AB 3 33A 15 -56,-2.3 -56,-1.4 -2,-0.4 2,-0.3 -0.988 33.9-110.1-156.6 128.8 8.8 22.6 -7.6 60 63 A E E -A 2 0A 88 -28,-2.6 -58,-0.2 -2,-0.4 2,-0.1 -0.423 33.4-124.8 -71.0 122.3 6.6 24.9 -9.8 61 64 A L 0 0 74 -60,-3.2 -1,-0.1 -2,-0.3 -29,-0.0 -0.468 360.0 360.0 -69.5 142.1 7.2 24.7 -13.5 62 65 A D 0 0 198 -2,-0.1 -1,-0.2 -31,-0.0 -30,-0.1 0.093 360.0 360.0 71.7 360.0 8.0 28.0 -15.4