==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 06-OCT-08 3ESX . COMPND 2 MOLECULE: FLAVODOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ANABAENA SP.; . AUTHOR B.HERGUEDAS,J.A.HERMOSO,M.MARTINEZ-JULVEZ,G.GONI,M.MEDINA . 337 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15829.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 241 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 5.3 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 20 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 1 0 0 0 0 2 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 1 5 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 6 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 . 2 2 0 0 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 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 K 0 0 96 0, 0.0 28,-0.1 0, 0.0 29,-0.1 0.000 360.0 360.0 360.0-122.3 8.1 10.2 21.9 2 3 A K + 0 0 90 27,-0.4 46,-0.9 26,-0.2 2,-0.5 0.941 360.0 40.9 -86.7 -51.7 9.4 6.8 20.5 3 4 A I E -ab 30 48A 0 26,-1.9 28,-2.4 44,-0.1 2,-0.6 -0.892 63.8-160.6-103.7 127.0 6.7 5.5 18.2 4 5 A G E -ab 31 49A 0 44,-2.0 46,-2.6 -2,-0.5 2,-0.7 -0.926 6.3-161.3 -99.6 116.4 4.7 7.7 15.8 5 6 A L E -ab 32 50A 0 26,-2.8 28,-3.1 -2,-0.6 2,-0.7 -0.897 4.6-168.4 -98.4 114.7 1.4 6.2 14.7 6 7 A F E +ab 33 51A 2 44,-2.6 46,-1.9 -2,-0.7 2,-0.3 -0.871 15.0 177.4-107.8 101.5 0.1 7.9 11.6 7 8 A Y E -ab 34 52A 19 26,-2.2 28,-2.7 -2,-0.7 2,-0.3 -0.769 20.8-156.4-109.3 147.5 -3.5 6.8 10.9 8 9 A G + 0 0 0 44,-2.0 2,-0.3 -2,-0.3 6,-0.1 -0.893 20.0 177.7-112.2 149.8 -6.1 7.7 8.3 9 10 A T + 0 0 23 -2,-0.3 27,-0.1 5,-0.1 55,-0.0 -0.992 27.1 172.5-154.8 146.6 -9.8 7.2 8.9 10 11 A Q S S+ 0 0 118 -2,-0.3 -1,-0.1 53,-0.0 46,-0.0 0.682 95.2 18.9-116.1 -51.4 -13.2 7.8 7.3 11 12 A T S S- 0 0 88 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.377 110.2-107.9-106.8 3.2 -15.8 6.2 9.5 12 13 A G S > S+ 0 0 22 3,-0.0 4,-2.0 4,-0.0 5,-0.1 0.360 84.7 115.4 98.5 -2.6 -13.5 6.0 12.6 13 14 A K H > S+ 0 0 73 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.933 78.7 47.8 -70.7 -46.6 -12.6 2.3 12.9 14 15 A T H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.852 111.0 56.3 -59.3 -35.2 -8.8 2.6 12.2 15 16 A K H > S+ 0 0 86 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.940 106.8 46.8 -60.6 -51.4 -8.9 5.4 14.8 16 17 A S H X S+ 0 0 60 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.927 112.3 50.9 -53.6 -50.2 -10.5 3.2 17.5 17 18 A V H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.892 107.6 53.7 -57.7 -42.2 -7.9 0.5 16.7 18 19 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.865 105.3 53.9 -58.9 -40.0 -5.1 3.1 17.0 19 20 A E H X S+ 0 0 100 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.869 108.7 48.1 -64.3 -38.2 -6.3 4.1 20.5 20 21 A I H X S+ 0 0 47 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.836 107.6 56.7 -69.7 -35.5 -6.2 0.4 21.6 21 22 A I H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.896 107.7 47.8 -61.1 -42.6 -2.7 0.2 20.2 22 23 A R H X S+ 0 0 73 -4,-2.0 4,-0.8 2,-0.2 8,-0.3 0.929 112.3 49.7 -62.3 -46.2 -1.6 3.1 22.3 23 24 A D H >< S+ 0 0 107 -4,-1.9 3,-0.6 1,-0.2 -2,-0.2 0.888 110.9 49.5 -59.6 -43.6 -3.2 1.5 25.4 24 25 A E H 3< S+ 0 0 44 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.821 106.2 56.4 -66.3 -34.9 -1.5 -1.8 24.7 25 26 A F H 3< S- 0 0 7 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.671 116.8-102.9 -72.3 -18.7 2.0 -0.3 24.3 26 27 A G X< - 0 0 35 -4,-0.8 3,-1.2 -3,-0.6 4,-0.4 0.262 52.6 -63.8 89.2 141.3 2.0 1.4 27.7 27 28 A N T 3 S+ 0 0 109 1,-0.2 3,-0.2 -4,-0.1 -1,-0.1 0.520 117.3 22.8 -46.9 -63.9 1.4 5.1 28.0 28 29 A D T 3 S+ 0 0 98 1,-0.2 -1,-0.2 -3,-0.1 -26,-0.2 0.637 99.2 91.2 -80.9 -8.8 3.8 7.6 26.5 29 30 A V S < S+ 0 0 24 -3,-1.2 -26,-1.9 -7,-0.1 2,-0.5 0.915 83.8 40.8 -54.4 -62.9 5.2 5.2 23.9 30 31 A V E -a 3 0A 0 -4,-0.4 2,-0.4 -8,-0.3 -26,-0.2 -0.788 66.5-158.2 -98.6 127.2 2.9 5.7 20.9 31 32 A T E -a 4 0A 34 -28,-2.4 -26,-2.8 -2,-0.5 2,-0.8 -0.862 18.5-132.1 -99.3 138.9 1.7 9.2 19.7 32 33 A L E -a 5 0A 57 -2,-0.4 2,-0.6 -28,-0.2 -26,-0.2 -0.760 24.0-176.4-102.2 99.6 -1.5 9.2 17.6 33 34 A H E -a 6 0A 45 -28,-3.1 -26,-2.2 -2,-0.8 2,-0.7 -0.828 19.1-148.1 -98.5 118.6 -1.4 11.4 14.4 34 35 A D E > -a 7 0A 41 -2,-0.6 3,-2.7 -28,-0.2 4,-0.4 -0.762 15.2-145.6 -78.3 112.9 -4.5 11.8 12.2 35 36 A V G > S+ 0 0 4 -28,-2.7 3,-0.5 -2,-0.7 -27,-0.1 0.646 93.5 72.0 -62.3 -16.1 -2.9 12.1 8.8 36 37 A S G 3 S+ 0 0 44 -29,-0.3 -1,-0.3 1,-0.2 -28,-0.1 0.694 107.1 36.4 -66.2 -22.7 -5.7 14.6 7.7 37 38 A Q G < S+ 0 0 162 -3,-2.7 -1,-0.2 2,-0.1 -2,-0.2 0.320 106.4 100.1-107.6 2.1 -4.0 17.1 10.1 38 39 A A < - 0 0 15 -3,-0.5 2,-0.3 -4,-0.4 -3,-0.0 -0.447 60.1-144.2 -94.0 158.9 -0.4 16.0 9.3 39 40 A E > - 0 0 137 -2,-0.1 3,-1.9 1,-0.0 4,-0.3 -0.899 31.0-117.3-111.0 150.9 2.3 17.3 7.0 40 41 A V G > S+ 0 0 20 -2,-0.3 3,-1.0 1,-0.3 4,-0.2 0.760 112.8 64.1 -61.6 -24.2 4.6 14.7 5.3 41 42 A T G > S+ 0 0 45 1,-0.2 3,-1.6 2,-0.2 4,-0.3 0.655 81.6 78.8 -72.9 -16.3 7.6 16.1 7.2 42 43 A D G X S+ 0 0 40 -3,-1.9 3,-1.6 1,-0.3 -1,-0.2 0.792 82.5 66.5 -59.2 -28.9 6.0 15.0 10.6 43 44 A L G X S+ 0 0 3 -3,-1.0 3,-1.0 -4,-0.3 -1,-0.3 0.693 87.5 68.5 -66.7 -20.3 7.2 11.4 9.7 44 45 A N G < S+ 0 0 41 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.666 84.5 72.6 -67.4 -20.4 10.8 12.7 10.1 45 46 A D G < S+ 0 0 93 -3,-1.6 2,-0.3 -4,-0.3 -1,-0.2 0.551 95.2 55.8 -77.8 -7.7 10.2 13.1 13.8 46 47 A Y < - 0 0 24 -3,-1.0 -43,-0.1 -4,-0.1 3,-0.1 -0.941 49.6-167.2-129.4 147.8 10.3 9.3 14.5 47 48 A Q S S+ 0 0 103 -45,-0.5 34,-2.3 -2,-0.3 2,-0.5 0.640 90.3 53.0 -97.9 -25.5 12.6 6.4 13.9 48 49 A Y E S-bc 3 81A 71 -46,-0.9 -44,-2.0 32,-0.2 2,-0.4 -0.966 76.9-176.2-111.7 126.1 9.9 3.9 14.8 49 50 A L E -bc 4 82A 0 32,-2.7 34,-2.8 -2,-0.5 2,-0.4 -0.934 21.8-163.0-126.2 143.3 6.7 4.3 12.8 50 51 A I E -bc 5 83A 0 -46,-2.6 -44,-2.6 -2,-0.4 2,-0.6 -0.992 15.4-157.6-122.3 123.4 3.2 2.6 12.8 51 52 A I E -bc 6 84A 0 32,-3.2 34,-2.3 -2,-0.4 2,-0.5 -0.886 7.9-169.2-107.0 113.8 1.2 3.3 9.6 52 53 A G E +bc 7 85A 0 -46,-1.9 -44,-2.0 -2,-0.6 34,-0.2 -0.894 17.7 151.1-111.5 124.6 -2.6 2.9 9.9 53 54 A C - 0 0 0 32,-2.0 48,-0.4 -2,-0.5 2,-0.1 -0.878 30.2-148.2-158.6 118.5 -4.9 2.8 6.8 54 55 A P - 0 0 6 0, 0.0 8,-0.8 0, 0.0 2,-0.5 -0.437 28.2-118.6 -77.6 159.1 -8.2 1.3 5.8 55 56 A T E -F 61 0B 27 32,-0.9 2,-0.3 6,-0.1 6,-0.2 -0.860 37.3-177.0 -98.3 130.7 -8.9 0.3 2.1 56 57 A W E > +F 60 0B 75 4,-2.5 4,-2.5 -2,-0.5 44,-0.0 -0.850 50.3 18.5-125.9 161.9 -11.8 2.2 0.5 57 58 A N T 4 S- 0 0 131 -2,-0.3 -1,-0.2 2,-0.2 4,-0.1 0.846 127.7 -48.0 48.3 51.9 -13.6 2.2 -2.9 58 59 A I T 4 S- 0 0 116 1,-0.2 -1,-0.2 -3,-0.2 39,-0.1 0.985 128.4 -12.9 55.5 74.7 -12.5 -1.2 -4.1 59 60 A G T 4 S+ 0 0 7 37,-0.3 2,-0.2 1,-0.2 -2,-0.2 0.612 102.2 129.0 89.1 16.4 -8.8 -1.3 -3.5 60 61 A K E < -F 56 0B 118 -4,-2.5 -4,-2.5 1,-0.1 40,-0.3 -0.668 60.2-102.3-105.6 156.9 -7.9 2.3 -2.9 61 62 A L E -F 55 0B 12 -2,-0.2 2,-0.2 -6,-0.2 -6,-0.1 -0.431 47.8 -96.7 -63.2 143.0 -6.0 4.3 -0.2 62 63 A Q >> - 0 0 0 -8,-0.8 4,-2.1 1,-0.1 3,-1.6 -0.503 45.7-113.0 -58.5 135.4 -8.1 6.1 2.4 63 64 A S H 3> S+ 0 0 82 1,-0.3 4,-1.4 2,-0.2 -1,-0.1 0.655 113.6 54.6 -61.2 -21.7 -8.2 9.7 0.9 64 65 A D H 34 S+ 0 0 56 2,-0.2 -1,-0.3 1,-0.2 4,-0.1 0.801 112.0 44.4 -79.7 -29.5 -6.1 11.3 3.6 65 66 A W H X> S+ 0 0 0 -3,-1.6 3,-1.1 2,-0.2 4,-0.6 0.823 110.0 56.2 -76.2 -32.4 -3.3 8.8 3.1 66 67 A E H >X S+ 0 0 96 -4,-2.1 3,-0.7 1,-0.2 4,-0.6 0.871 100.4 60.5 -59.0 -39.2 -3.9 9.4 -0.7 67 68 A G H 3< S+ 0 0 42 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.582 113.3 35.6 -63.8 -13.3 -3.3 13.1 0.1 68 69 A L H <> S+ 0 0 16 -3,-1.1 4,-0.5 -4,-0.1 -1,-0.2 0.383 91.6 95.7-118.9 -4.4 0.2 12.2 1.3 69 70 A Y H X< S+ 0 0 70 -3,-0.7 3,-1.1 -4,-0.6 4,-0.2 0.930 87.9 41.3 -58.1 -54.4 1.0 9.4 -1.1 70 71 A S G >< S+ 0 0 82 -4,-0.6 3,-1.7 1,-0.2 -1,-0.2 0.906 110.3 58.4 -60.5 -44.7 3.0 11.4 -3.7 71 72 A E G >4 S+ 0 0 66 1,-0.3 3,-2.0 2,-0.2 -1,-0.2 0.501 79.3 88.2 -67.6 -6.2 4.8 13.5 -1.0 72 73 A L G X< S+ 0 0 0 -3,-1.1 3,-1.2 -4,-0.5 -1,-0.3 0.742 78.0 67.5 -63.5 -19.3 6.3 10.3 0.4 73 74 A D G < S+ 0 0 78 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.598 89.9 64.6 -71.5 -13.0 9.0 10.9 -2.1 74 75 A D G < S+ 0 0 124 -3,-2.0 2,-0.4 -4,-0.1 -1,-0.2 0.330 94.8 72.9 -94.1 7.2 10.0 13.9 -0.1 75 76 A V S < S- 0 0 3 -3,-1.2 2,-0.7 -4,-0.0 -34,-0.0 -0.963 71.0-138.5-128.0 140.5 11.0 11.9 3.0 76 77 A D + 0 0 97 -2,-0.4 36,-0.1 1,-0.1 -3,-0.1 -0.856 18.2 178.1 -96.7 109.9 14.0 9.6 3.7 77 78 A F > + 0 0 0 34,-1.4 3,-2.0 -2,-0.7 37,-0.3 0.356 36.2 132.1 -92.3 4.1 12.8 6.4 5.5 78 79 A N T 3 S+ 0 0 112 33,-0.5 35,-0.2 1,-0.3 3,-0.1 -0.376 74.1 17.5 -58.6 130.0 16.4 5.0 5.6 79 80 A G T 3 S+ 0 0 68 33,-0.6 2,-0.3 1,-0.3 -1,-0.3 0.353 100.8 118.3 88.4 -3.7 17.2 3.8 9.1 80 81 A K < - 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