==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 30-NOV-00 1GAO . COMPND 2 MOLECULE: FERREDOXIN I; . SOURCE 2 ORGANISM_SCIENTIFIC: AZOTOBACTER VINELANDII; . AUTHOR C.D.STOUT,B.K.BURGESS,G.S.PRASAD,V.SRIDHAR,Y.S.JUNG . 424 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21759.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 213 50.2 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 . 40 9.4 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 . 4 0.9 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 . 13 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 21.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 14.4 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 6 0 0 0 0 0 2 0 2 0 0 0 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 . 4 0 8 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 . 4 4 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 1 A A 0 0 22 0, 0.0 56,-2.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 143.5 20.6 10.4 32.4 2 2 A F E -A 56 0A 9 54,-0.2 2,-0.4 33,-0.2 54,-0.2 -0.769 360.0-152.5 -96.2 149.3 20.3 6.9 31.3 3 3 A V E -A 55 0A 3 52,-2.4 52,-2.4 -2,-0.3 2,-0.4 -0.986 11.0-143.0-128.9 126.6 22.7 4.4 32.8 4 4 A V E -A 54 0A 2 -2,-0.4 50,-0.2 50,-0.2 2,-0.1 -0.745 32.9-166.2 -86.7 136.7 24.2 1.0 31.6 5 5 A T > - 0 0 2 48,-1.8 3,-2.1 -2,-0.4 4,-0.4 -0.439 35.0 -62.4-117.1-171.7 24.6 -1.5 34.5 6 6 A D G > S+ 0 0 15 1,-0.3 3,-1.6 2,-0.2 47,-0.1 0.731 116.7 64.5 -46.3 -42.5 26.2 -4.8 35.5 7 7 A N G 3 S+ 0 0 28 1,-0.3 -1,-0.3 45,-0.1 89,-0.2 0.672 90.7 66.2 -64.1 -15.8 24.5 -7.1 33.0 8 8 A C G X> S+ 0 0 12 -3,-2.1 3,-2.4 3,-0.1 4,-2.0 0.826 75.6 107.3 -71.9 -24.6 26.1 -5.4 30.0 9 9 A I T <4 S- 0 0 0 -3,-1.6 22,-0.2 -4,-0.4 95,-0.1 -0.346 96.7 -1.1 -69.6 120.0 29.6 -6.6 31.0 10 10 A K T 34 S+ 0 0 59 20,-1.8 -1,-0.3 -2,-0.2 84,-0.3 0.599 128.5 68.3 72.4 19.2 30.7 -9.4 28.7 11 11 A C T <4 + 0 0 0 -3,-2.4 77,-2.9 19,-0.4 80,-0.2 0.603 59.3 164.8-112.7 -62.3 27.5 -9.2 26.7 12 12 A K < + 0 0 16 -4,-2.0 19,-0.1 18,-0.2 -4,-0.1 0.925 5.8 172.2 38.7 63.3 27.9 -5.8 25.1 13 13 A Y - 0 0 34 74,-0.2 72,-0.3 1,-0.1 -1,-0.1 0.840 23.7-153.3 -65.0 -34.9 25.2 -6.5 22.6 14 14 A T + 0 0 3 70,-0.1 4,-0.3 1,-0.1 3,-0.3 0.649 56.0 126.2 61.3 23.6 25.3 -2.9 21.3 15 15 A D > + 0 0 39 1,-0.2 3,-1.5 2,-0.1 4,-0.4 0.895 64.5 69.6 -69.9 -34.8 21.7 -3.0 20.1 16 16 A C G > S+ 0 0 11 1,-0.2 3,-1.3 2,-0.1 4,-0.5 0.815 85.5 64.9 -44.5 -42.0 21.3 0.2 22.3 17 17 A V G 3 S+ 0 0 3 -3,-0.3 3,-0.5 1,-0.2 -1,-0.2 0.721 91.9 62.5 -68.0 -20.0 23.4 2.5 20.0 18 18 A E G < S+ 0 0 116 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.1 0.658 104.9 44.9 -79.3 -16.1 21.0 2.3 16.9 19 19 A V S < S+ 0 0 44 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.2 0.433 84.2 111.3-103.4 -8.5 18.1 3.9 18.7 20 20 A C - 0 0 18 -4,-0.5 3,-0.4 -3,-0.5 5,-0.1 -0.635 52.3-159.5 -79.5 119.6 20.0 6.7 20.4 21 21 A P S S+ 0 0 38 0, 0.0 -1,-0.2 0, 0.0 287,-0.1 0.685 89.3 35.2 -68.9 -22.6 19.0 10.1 18.8 22 22 A V S S- 0 0 48 285,-0.1 -2,-0.0 0, 0.0 285,-0.0 0.359 99.3-121.9-117.4 4.4 22.2 11.9 20.1 23 23 A D + 0 0 70 -3,-0.4 -6,-0.1 -6,-0.2 16,-0.1 0.944 53.7 153.4 50.5 50.8 25.1 9.2 19.9 24 24 A C + 0 0 3 14,-0.1 11,-2.9 56,-0.1 2,-0.5 0.038 29.9 115.8 -96.8 27.4 25.9 9.5 23.6 25 25 A F E -B 34 0B 2 56,-0.4 56,-2.8 9,-0.2 2,-0.4 -0.858 47.5-159.7-104.8 130.3 27.3 5.9 23.9 26 26 A Y E -BC 33 80B 29 7,-2.8 7,-2.2 -2,-0.5 2,-0.6 -0.926 14.5-127.7-117.6 133.2 30.9 5.3 24.7 27 27 A E E +B 32 0B 17 52,-2.4 5,-0.2 -2,-0.4 -2,-0.0 -0.697 25.1 173.5 -93.6 112.0 32.8 2.1 24.0 28 28 A G - 0 0 2 3,-2.5 3,-0.4 -2,-0.6 78,-0.1 -0.567 48.3 -99.9 -94.6 167.2 34.8 -0.1 26.4 29 29 A P S S+ 0 0 33 0, 0.0 77,-0.1 0, 0.0 -1,-0.0 0.857 118.9 6.3 -52.9 -41.1 36.4 -3.5 25.6 30 30 A N S S+ 0 0 2 75,-0.5 -20,-1.8 58,-0.0 -19,-0.4 0.049 130.2 48.6-134.4 24.7 33.6 -5.5 27.2 31 31 A F - 0 0 0 -3,-0.4 -3,-2.5 -22,-0.2 2,-0.3 -0.982 57.6-144.3-158.8 162.5 31.1 -2.7 28.2 32 32 A L E -B 27 0B 2 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.992 17.2-166.1-131.6 140.3 29.2 0.4 26.9 33 33 A V E -B 26 0B 0 -7,-2.2 -7,-2.8 -2,-0.3 2,-0.5 -0.880 18.3-126.6-123.8 159.4 28.4 3.6 29.0 34 34 A I E -B 25 0B 1 -2,-0.3 -9,-0.2 -9,-0.2 41,-0.2 -0.923 23.9-125.1-107.0 121.8 26.0 6.5 28.5 35 35 A H > - 0 0 13 -11,-2.9 4,-2.5 -2,-0.5 3,-0.5 -0.512 20.3-151.5 -66.5 116.6 27.4 10.1 28.6 36 36 A P T 4 S+ 0 0 40 0, 0.0 -1,-0.2 0, 0.0 36,-0.1 0.768 91.2 50.6 -68.0 -26.7 25.2 11.7 31.3 37 37 A D T 4 S+ 0 0 135 1,-0.1 -2,-0.1 35,-0.1 35,-0.0 0.804 116.3 40.9 -78.2 -32.5 25.5 15.2 29.9 38 38 A E T 4 S+ 0 0 69 -3,-0.5 -1,-0.1 -14,-0.1 2,-0.1 0.826 89.7 98.1 -87.1 -34.0 24.6 14.2 26.4 39 39 A C < - 0 0 19 -4,-2.5 -5,-0.0 -15,-0.2 -19,-0.0 -0.372 54.6-163.7 -62.2 129.2 21.8 11.8 27.1 40 40 A I - 0 0 54 -2,-0.1 -1,-0.1 -39,-0.1 -3,-0.0 0.028 37.9-113.8-104.7 23.4 18.5 13.5 26.7 41 41 A D + 0 0 55 1,-0.1 -2,-0.1 -39,-0.0 15,-0.0 0.625 69.8 137.2 50.8 28.9 16.4 10.9 28.6 42 42 A C - 0 0 10 1,-0.1 -1,-0.1 -40,-0.0 275,-0.1 0.791 51.4-147.3 -70.4 -25.1 14.3 9.7 25.6 43 43 A A + 0 0 23 1,-0.1 3,-0.3 268,-0.0 -1,-0.1 0.535 54.0 134.4 63.8 19.0 14.7 6.0 26.8 44 44 A S S > S+ 0 0 23 1,-0.2 4,-0.6 2,-0.1 -24,-0.1 0.845 71.7 53.1 -58.8 -34.3 14.7 4.6 23.2 45 45 A C H >> S+ 0 0 10 1,-0.2 3,-0.6 2,-0.1 4,-0.5 0.850 89.5 74.5 -72.8 -35.4 17.7 2.5 24.2 46 46 A E H >4 S+ 0 0 43 -3,-0.3 3,-1.2 1,-0.3 8,-0.3 0.870 99.3 42.4 -55.6 -49.9 16.3 0.8 27.3 47 47 A P H 34 S+ 0 0 91 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.800 109.2 63.2 -58.4 -31.2 13.9 -1.7 25.6 48 48 A E H << S+ 0 0 93 -3,-0.6 -2,-0.2 -4,-0.6 -33,-0.1 0.479 78.3 96.2 -75.1 -7.4 16.6 -2.4 23.0 49 49 A C X< - 0 0 13 -3,-1.2 3,-1.2 -4,-0.5 5,-0.1 -0.772 54.8-166.4 -87.5 109.9 19.1 -3.9 25.5 50 50 A P T 3 S+ 0 0 62 0, 0.0 -1,-0.2 0, 0.0 -42,-0.0 0.889 94.7 55.5 -54.6 -36.4 18.8 -7.8 25.5 51 51 A A T 3 S- 0 0 5 -3,-0.1 -44,-0.1 1,-0.1 45,-0.1 0.722 100.6-141.8 -67.7 -21.5 20.8 -7.6 28.7 52 52 A Q < + 0 0 93 -3,-1.2 -45,-0.1 -6,-0.2 -1,-0.1 0.921 58.9 134.7 50.4 46.8 18.2 -5.3 30.2 53 53 A A + 0 0 0 -48,-0.1 -48,-1.8 -7,-0.1 2,-0.4 0.506 35.5 96.5-101.3 -11.7 21.1 -3.4 31.7 54 54 A I E +A 4 0A 4 -8,-0.3 2,-0.3 -50,-0.2 -50,-0.2 -0.681 49.5 171.0 -85.2 135.6 20.0 0.1 30.9 55 55 A F E -A 3 0A 46 -52,-2.4 -52,-2.4 -2,-0.4 5,-0.2 -1.000 40.6-104.5-143.7 143.8 18.1 2.1 33.5 56 56 A S E > -A 2 0A 14 -2,-0.3 3,-1.7 -54,-0.2 4,-0.3 -0.388 45.8-113.2 -55.6 136.9 16.9 5.6 34.1 57 57 A E G > S+ 0 0 83 -56,-2.7 3,-0.8 1,-0.3 -1,-0.1 0.813 116.9 50.5 -51.0 -37.2 19.3 7.1 36.6 58 58 A D G 3 S+ 0 0 149 1,-0.2 -1,-0.3 -57,-0.2 -56,-0.1 0.703 112.9 46.6 -76.3 -16.0 16.6 7.3 39.3 59 59 A E G < S+ 0 0 94 -3,-1.7 -1,-0.2 2,-0.0 -2,-0.2 0.168 75.5 128.2-110.9 21.4 15.6 3.7 38.8 60 60 A V S < S- 0 0 6 -3,-0.8 5,-0.1 -4,-0.3 4,-0.0 -0.656 73.9 -95.4 -71.7 127.3 19.1 2.1 38.8 61 61 A P > - 0 0 36 0, 0.0 3,-2.1 0, 0.0 4,-0.2 -0.027 27.0-115.3 -48.6 144.3 18.9 -0.7 41.4 62 62 A E G > S+ 0 0 167 1,-0.3 3,-0.9 2,-0.2 -2,-0.1 0.860 115.3 49.2 -52.6 -40.5 20.1 -0.0 44.9 63 63 A D G 3 S+ 0 0 113 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.391 109.1 52.5 -82.5 1.8 23.0 -2.5 44.6 64 64 A M G X + 0 0 32 -3,-2.1 3,-1.9 1,-0.1 -1,-0.2 0.222 67.0 118.6-121.8 18.4 24.2 -1.1 41.3 65 65 A Q T X> + 0 0 90 -3,-0.9 3,-1.4 1,-0.3 4,-0.7 0.704 60.7 74.9 -55.7 -25.4 24.5 2.5 42.2 66 66 A E H 3> S+ 0 0 87 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.834 85.7 69.2 -57.4 -32.1 28.3 2.5 41.5 67 67 A F H <> S+ 0 0 0 -3,-1.9 4,-2.4 2,-0.2 -1,-0.3 0.672 85.6 63.1 -64.8 -24.2 27.4 2.5 37.8 68 68 A I H <> S+ 0 0 39 -3,-1.4 4,-1.9 -4,-0.2 -1,-0.2 0.985 112.4 37.4 -61.0 -56.8 26.0 6.0 37.7 69 69 A Q H X S+ 0 0 135 -4,-0.7 4,-2.6 1,-0.2 -2,-0.2 0.892 114.6 56.4 -63.7 -41.0 29.3 7.4 38.6 70 70 A L H X S+ 0 0 47 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.861 106.0 50.2 -60.1 -36.2 31.1 4.8 36.5 71 71 A N H X S+ 0 0 3 -4,-2.4 4,-1.8 -3,-0.2 -1,-0.2 0.935 110.7 50.9 -65.6 -41.9 29.2 5.8 33.4 72 72 A A H X S+ 0 0 30 -4,-1.9 4,-0.7 -5,-0.2 -2,-0.2 0.931 114.6 42.4 -61.3 -45.4 30.1 9.4 34.0 73 73 A E H >< S+ 0 0 108 -4,-2.6 3,-0.7 1,-0.2 4,-0.5 0.929 117.0 43.0 -69.9 -46.3 33.8 8.5 34.4 74 74 A L H 3X S+ 0 0 20 -4,-2.5 4,-2.1 1,-0.2 3,-0.4 0.700 104.6 64.0 -75.6 -22.1 34.3 6.2 31.5 75 75 A A H 3< S+ 0 0 5 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.736 99.2 56.6 -71.4 -25.3 32.2 8.2 29.1 76 76 A E T << S+ 0 0 125 -4,-0.7 -1,-0.2 -3,-0.7 -2,-0.2 0.735 119.6 28.8 -74.2 -21.9 34.9 10.9 29.5 77 77 A V T 4 S+ 0 0 65 -4,-0.5 -2,-0.2 -3,-0.4 -3,-0.1 0.613 100.8 83.4-116.6 -17.1 37.7 8.5 28.4 78 78 A W S < S- 0 0 10 -4,-2.1 -50,-0.1 1,-0.1 28,-0.0 -0.646 80.1-106.7 -89.0 146.4 36.2 5.9 26.0 79 79 A P - 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