==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 11-NOV-04 1XYV . COMPND 2 MOLECULE: FLAVODOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO VULGARIS; . AUTHOR R.ARTALI,N.MARCHINI,F.MENEGHETTI,D.CAVAZZINI,G.BOMBIERI,G.L. . 147 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6985.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 112 76.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 19.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 2.0 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 . 12 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 40 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 1 0 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 1 1 2 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 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 A 0 0 66 0, 0.0 30,-2.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 135.0 1.3 22.2 7.3 2 3 A K E -a 31 0A 90 28,-0.2 48,-2.8 46,-0.1 49,-1.6 -0.957 360.0-170.6-114.6 123.7 3.0 22.0 3.9 3 4 A A E -ab 32 51A 0 28,-3.2 30,-3.1 -2,-0.5 2,-0.4 -0.860 12.3-158.1-115.5 155.0 1.1 22.4 0.6 4 5 A L E -ab 33 52A 0 47,-2.2 49,-3.5 -2,-0.4 2,-0.5 -0.981 6.6-169.8-125.4 129.7 2.0 21.9 -2.9 5 6 A I E -ab 34 53A 0 28,-2.5 30,-3.5 -2,-0.4 2,-0.5 -0.989 4.7-175.9-120.5 123.6 0.0 23.7 -5.6 6 7 A V E -ab 35 54A 0 47,-2.5 49,-3.3 -2,-0.5 2,-0.4 -0.988 9.9-175.0-118.2 130.1 0.8 22.5 -9.2 7 8 A Y E -ab 36 55A 26 28,-1.9 30,-3.1 -2,-0.5 2,-0.5 -0.962 22.6-156.3-128.2 145.8 -1.0 24.4 -12.0 8 9 A G E + b 0 56A 0 47,-2.1 49,-1.3 -2,-0.4 2,-0.4 -0.971 28.5 165.2-114.8 126.2 -1.3 24.1 -15.7 9 10 A S - 0 0 12 -2,-0.5 29,-0.1 47,-0.2 -2,-0.0 -0.968 24.7-177.6-147.7 126.3 -2.2 27.4 -17.3 10 11 A T S S+ 0 0 80 -2,-0.4 -1,-0.1 1,-0.1 0, 0.0 0.853 92.6 20.3 -92.3 -39.6 -2.1 28.6 -20.9 11 12 A T S S- 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.257 114.3-102.8-114.3 9.7 -3.1 32.2 -20.7 12 13 A G S > S+ 0 0 15 4,-0.0 4,-2.2 3,-0.0 5,-0.1 0.440 87.5 116.8 85.7 9.3 -2.3 32.6 -17.0 13 14 A N H > S+ 0 0 42 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.939 83.4 38.2 -73.7 -47.1 -5.8 32.4 -15.5 14 15 A T H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.796 114.6 57.1 -74.0 -30.3 -5.4 29.3 -13.5 15 16 A E H > S+ 0 0 66 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.954 106.2 48.5 -61.8 -43.4 -1.9 30.5 -12.8 16 17 A Y H X S+ 0 0 38 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.942 112.1 52.0 -57.7 -38.7 -3.5 33.7 -11.3 17 18 A T H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.927 107.6 49.8 -63.5 -46.1 -5.8 31.4 -9.4 18 19 A A H X S+ 0 0 1 -4,-2.7 4,-3.2 1,-0.2 -1,-0.2 0.901 110.4 51.2 -56.2 -40.3 -2.9 29.3 -8.0 19 20 A E H X S+ 0 0 108 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.907 110.8 47.6 -68.4 -42.0 -1.1 32.6 -6.9 20 21 A T H X S+ 0 0 11 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.925 114.9 45.7 -65.5 -49.2 -4.2 33.8 -5.1 21 22 A I H X S+ 0 0 0 -4,-2.8 4,-3.0 -5,-0.2 -2,-0.2 0.953 111.6 52.9 -56.4 -49.3 -4.7 30.5 -3.4 22 23 A A H X S+ 0 0 16 -4,-3.2 4,-4.1 1,-0.3 5,-0.3 0.937 110.3 48.1 -55.3 -47.4 -0.9 30.3 -2.5 23 24 A R H X S+ 0 0 158 -4,-2.8 4,-2.9 2,-0.2 -1,-0.3 0.909 110.4 50.7 -61.4 -41.2 -1.1 33.6 -0.9 24 25 A E H X S+ 0 0 34 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.937 114.8 44.3 -59.9 -47.8 -4.2 32.7 1.1 25 26 A L H ><>S+ 0 0 0 -4,-3.0 5,-1.9 2,-0.2 3,-0.9 0.945 114.4 48.5 -60.7 -50.9 -2.6 29.6 2.3 26 27 A A H ><5S+ 0 0 48 -4,-4.1 3,-1.6 1,-0.3 -2,-0.2 0.890 108.7 53.3 -60.3 -35.2 0.7 31.4 3.0 27 28 A D H 3<5S+ 0 0 103 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.707 105.4 56.7 -69.4 -23.9 -1.1 34.1 4.9 28 29 A A T <<5S- 0 0 50 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.481 126.9-100.8 -81.5 -7.1 -2.7 31.4 7.0 29 30 A G T < 5S+ 0 0 62 -3,-1.6 -3,-0.2 -4,-0.4 -2,-0.1 0.406 76.6 137.6 103.8 -9.5 0.7 30.0 8.0 30 31 A Y < - 0 0 32 -5,-1.9 2,-0.5 -6,-0.2 -1,-0.3 -0.493 58.0-123.5 -67.6 152.0 0.9 27.1 5.6 31 32 A E E -a 2 0A 110 -30,-2.7 -28,-3.2 -2,-0.1 2,-0.5 -0.808 36.7-159.6 -88.4 133.6 4.3 26.5 3.9 32 33 A V E -a 3 0A 41 -2,-0.5 2,-0.6 -30,-0.2 -28,-0.2 -0.963 21.3-174.5-126.0 127.8 3.4 26.7 0.2 33 34 A D E -a 4 0A 61 -30,-3.1 -28,-2.5 -2,-0.5 2,-0.5 -0.943 14.4-172.0-115.9 108.8 5.4 25.3 -2.8 34 35 A S E -a 5 0A 53 -2,-0.6 2,-0.4 -30,-0.2 -28,-0.2 -0.886 4.8-179.2-104.5 140.3 3.8 26.3 -6.0 35 36 A R E -a 6 0A 75 -30,-3.5 -28,-1.9 -2,-0.5 2,-0.3 -0.994 30.8-120.8-138.0 144.3 5.0 24.8 -9.3 36 37 A D E > -a 7 0A 45 -2,-0.4 3,-1.4 -30,-0.2 4,-0.4 -0.637 26.5-133.3 -76.3 136.2 4.0 25.2 -12.9 37 38 A A G > S+ 0 0 5 -30,-3.1 3,-1.3 -2,-0.3 -29,-0.2 0.829 104.1 69.8 -58.6 -34.1 3.0 21.8 -14.2 38 39 A A G 3 S+ 0 0 63 -31,-0.4 -1,-0.3 1,-0.3 -30,-0.1 0.854 105.1 40.6 -53.9 -33.1 5.2 22.4 -17.2 39 40 A S G < S+ 0 0 83 -3,-1.4 -1,-0.3 2,-0.0 -2,-0.2 0.483 95.9 101.8 -93.1 -4.4 8.2 22.1 -14.9 40 41 A V < - 0 0 23 -3,-1.3 2,-0.5 -4,-0.4 -3,-0.0 -0.462 55.9-143.5 -95.1 164.9 7.4 19.2 -12.6 41 42 A E - 0 0 169 -2,-0.2 4,-0.1 1,-0.1 -2,-0.0 -0.964 11.9-149.2-118.2 131.1 8.3 15.7 -12.4 42 43 A A > + 0 0 13 -2,-0.5 3,-2.1 2,-0.1 4,-0.3 0.773 61.6 105.7 -68.9 -36.3 5.6 13.3 -11.3 43 44 A G T 3 S- 0 0 52 1,-0.3 37,-0.2 2,-0.1 -2,-0.1 -0.316 109.4 -19.5 -57.0 116.8 7.5 10.6 -9.5 44 45 A G T > S+ 0 0 22 35,-3.2 3,-1.9 -2,-0.2 -1,-0.3 0.597 91.7 146.6 63.3 10.7 6.9 11.1 -5.8 45 46 A L T < S+ 0 0 10 -3,-2.1 36,-0.1 34,-0.4 -2,-0.1 0.811 70.7 45.4 -47.4 -38.4 5.8 14.8 -6.4 46 47 A F T > S+ 0 0 0 34,-2.3 3,-2.1 -4,-0.3 -1,-0.3 0.576 83.8 124.4 -86.8 -2.8 3.2 14.7 -3.6 47 48 A E T < S+ 0 0 131 -3,-1.9 3,-0.1 33,-0.5 34,-0.0 -0.392 77.5 11.8 -65.0 129.5 5.5 13.1 -1.1 48 49 A G T 3 S+ 0 0 60 1,-0.3 2,-0.4 -2,-0.1 -1,-0.3 0.444 97.3 117.7 84.9 7.9 6.0 15.2 2.1 49 50 A F < - 0 0 26 -3,-2.1 -1,-0.3 1,-0.1 37,-0.2 -0.870 54.0-155.2-105.6 141.8 3.1 17.5 1.4 50 51 A D S S+ 0 0 84 -48,-2.8 36,-0.6 -2,-0.4 2,-0.4 0.756 85.1 17.8 -79.1 -23.3 0.2 17.6 3.8 51 52 A L E -bc 3 86A 0 -49,-1.6 -47,-2.2 34,-0.1 2,-0.5 -0.995 65.6-160.4-149.7 136.7 -2.1 18.9 1.0 52 53 A V E -bc 4 87A 0 34,-2.7 36,-1.6 -2,-0.4 2,-0.5 -0.982 4.9-166.7-124.1 129.0 -1.8 19.0 -2.7 53 54 A L E -bc 5 88A 0 -49,-3.5 -47,-2.5 -2,-0.5 2,-0.6 -0.955 5.9-162.5-116.6 123.3 -3.8 21.4 -4.8 54 55 A L E -bc 6 89A 0 34,-2.3 36,-2.9 -2,-0.5 2,-0.4 -0.888 5.3-172.4-112.5 122.2 -3.9 20.8 -8.5 55 56 A G E +bc 7 90A 0 -49,-3.3 -47,-2.1 -2,-0.6 2,-0.3 -0.951 14.0 156.8-107.1 138.5 -5.0 23.5 -10.9 56 57 A C E -b 8 0A 0 34,-2.0 -47,-0.2 -2,-0.4 48,-0.1 -0.962 31.3-134.2-158.7 131.4 -5.6 22.9 -14.7 57 58 A S - 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0 0 50 -3,-1.9 32,-4.5 1,-0.1 2,-0.6 -0.381 56.6-126.0 -74.8 138.6 -3.1 12.4 0.2 86 87 A K E +cd 51 117A 58 -36,-0.6 -34,-2.7 -37,-0.2 2,-0.3 -0.784 47.0 163.3 -85.2 127.0 -5.4 15.3 1.0 87 88 A V E -cd 52 118A 0 30,-2.4 32,-2.4 -2,-0.6 33,-0.6 -0.940 24.8-173.9-144.0 162.1 -5.9 17.0 -2.2 88 89 A A E -c 53 0A 0 -36,-1.6 -34,-2.3 -2,-0.3 2,-0.4 -0.969 17.2-141.1-156.8 149.8 -8.3 19.5 -3.8 89 90 A C E +c 54 0A 0 31,-0.5 34,-2.4 -2,-0.3 2,-0.3 -0.941 17.6 176.1-120.6 155.6 -8.5 20.6 -7.4 90 91 A F E +ce 55 123A 0 -36,-2.9 -34,-2.0 -2,-0.4 2,-0.3 -0.928 6.1 159.3-150.6 160.3 -9.2 24.0 -9.1 91 92 A G E - e 0 124A 0 32,-1.4 34,-2.7 -2,-0.3 2,-0.3 -0.898 34.1-113.6-177.6 160.1 -9.3 25.3 -12.6 92 93 A C E + e 0 125A 7 -2,-0.3 -34,-1.3 32,-0.2 2,-0.3 -0.707 45.9 139.9-104.1 141.9 -10.6 28.1 -15.0 93 94 A G E - e 0 126A 18 32,-2.5 34,-2.2 34,-0.3 2,-0.4 -0.818 45.6-107.1-154.7-161.7 -13.0 27.3 -17.7 94 95 A D > - 0 0 65 -2,-0.3 3,-1.9 32,-0.2 7,-0.1 -0.931 12.6-140.0-148.4 126.3 -16.0 28.8 -19.2 95 96 A S T 3 S+ 0 0 63 -2,-0.4 5,-0.2 1,-0.3 31,-0.1 0.573 93.8 73.4 -66.1 -2.3 -19.5 27.7 -18.7 96 97 A S T 3 S+ 0 0 96 3,-0.1 -1,-0.3 -3,-0.0 2,-0.2 0.596 83.2 86.5 -86.6 -12.0 -20.6 28.2 -22.4 97 98 A Y S < S- 0 0 126 -3,-1.9 3,-0.4 1,-0.1 -36,-0.1 -0.490 92.4-112.7 -81.7 162.5 -18.6 25.2 -23.4 98 99 A E S S+ 0 0 118 -37,-0.5 2,-0.7 1,-0.3 -1,-0.1 0.911 110.4 37.7 -61.6 -43.3 -20.0 21.8 -23.3 99 100 A Y S > S- 0 0 100 -38,-0.3 3,-2.1 -39,-0.1 -1,-0.3 -0.752 83.8-153.8-114.0 88.4 -17.8 20.5 -20.5 100 101 A F T 3 S- 0 0 61 -2,-0.7 -5,-0.1 -3,-0.4 -7,-0.1 -0.362 79.9 -17.3 -67.9 123.3 -17.3 23.4 -18.1 101 102 A C T >> S+ 0 0 1 1,-0.2 4,-1.4 24,-0.1 3,-1.0 0.827 84.6 163.6 50.1 36.9 -14.1 22.9 -16.3 102 103 A G H <> + 0 0 1 -3,-2.1 4,-2.5 1,-0.3 5,-0.2 0.752 67.9 64.5 -58.3 -23.3 -14.1 19.3 -17.4 103 104 A A H 3> S+ 0 0 0 -4,-0.3 4,-2.7 2,-0.2 5,-0.3 0.886 96.4 53.9 -68.0 -36.6 -10.4 19.1 -16.5 104 105 A V H <> S+ 0 0 0 -3,-1.0 4,-2.3 1,-0.2 5,-0.2 0.921 110.7 48.4 -58.2 -43.1 -11.2 19.7 -12.9 105 106 A D H X S+ 0 0 75 -4,-1.4 4,-2.7 1,-0.2 -2,-0.2 0.913 111.0 49.7 -64.7 -43.6 -13.6 16.7 -13.1 106 107 A A H X S+ 0 0 33 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.928 113.4 44.5 -60.5 -46.5 -11.0 14.5 -14.8 107 108 A I H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.933 114.0 50.4 -65.7 -41.0 -8.2 15.2 -12.3 108 109 A E H X S+ 0 0 16 -4,-2.3 4,-2.9 -5,-0.3 5,-0.2 0.948 110.5 48.2 -64.0 -47.1 -10.5 14.9 -9.4 109 110 A E H X S+ 0 0 93 -4,-2.7 4,-2.8 -5,-0.2 -1,-0.2 0.921 111.1 51.0 -61.3 -39.2 -11.8 11.6 -10.6 110 111 A K H X S+ 0 0 76 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.922 112.4 47.3 -62.3 -44.6 -8.3 10.3 -11.2 111 112 A L H <>S+ 0 0 0 -4,-2.9 5,-2.6 1,-0.2 4,-0.3 0.932 109.4 53.0 -60.6 -41.3 -7.3 11.3 -7.7 112 113 A K H ><5S+ 0 0 95 -4,-2.9 3,-1.8 1,-0.3 -2,-0.2 0.941 109.8 48.0 -61.4 -43.5 -10.3 9.7 -6.3 113 114 A N H 3<5S+ 0 0 121 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.763 105.6 57.9 -71.5 -26.3 -9.5 6.5 -8.0 114 115 A L T 3<5S- 0 0 33 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.383 122.1-109.4 -78.1 1.4 -5.9 6.7 -6.8 115 116 A G T < 5 + 0 0 32 -3,-1.8 -31,-2.1 -4,-0.3 -3,-0.2 0.710 65.2 153.6 83.4 17.0 -7.4 6.8 -3.2 116 117 A A < - 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