==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 01-OCT-97 1AWD . COMPND 2 MOLECULE: FERREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: 'CHLORELLA' FUSCA; . AUTHOR G.M.SHELDRICK . 94 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4941.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 60 63.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 20.2 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 . 1 1.1 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 . 8 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.1 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 1 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 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 Y 0 0 105 0, 0.0 15,-3.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 159.7 10.6 66.7 51.7 2 2 A K E -A 15 0A 104 13,-0.2 81,-1.9 11,-0.0 2,-0.5 -0.782 360.0-162.3 -91.0 126.7 10.6 70.3 50.3 3 3 A V E -Ab 14 83A 0 11,-3.0 11,-2.5 -2,-0.5 2,-0.6 -0.961 3.4-159.5-113.7 120.5 12.0 70.5 46.8 4 4 A T E -Ab 13 84A 18 79,-2.8 81,-2.7 -2,-0.5 2,-0.6 -0.900 10.9-163.9 -98.7 115.2 13.0 74.0 45.6 5 5 A L E -Ab 12 85A 0 7,-3.2 7,-2.8 -2,-0.6 2,-0.9 -0.906 10.0-156.8-106.8 122.2 13.2 74.0 41.7 6 6 A K E +Ab 11 86A 76 79,-2.9 81,-2.2 -2,-0.6 5,-0.2 -0.855 29.6 172.2 -98.9 103.7 15.0 76.8 40.0 7 7 A T E > -A 10 0A 18 3,-2.0 3,-1.9 -2,-0.9 81,-0.0 -0.636 48.2-101.4-113.0 165.7 13.4 76.8 36.6 8 8 A P T 3 S+ 0 0 101 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 0.841 123.3 46.8 -55.4 -38.1 13.7 79.2 33.7 9 9 A S T 3 S- 0 0 105 1,-0.3 2,-0.2 3,-0.0 -3,-0.0 0.322 128.3 -73.9 -84.8 0.5 10.3 80.8 34.5 10 10 A G E < -A 7 0A 30 -3,-1.9 -3,-2.0 2,-0.1 2,-0.3 -0.661 63.8 -44.6 134.4 174.3 11.2 81.2 38.2 11 11 A E E -A 6 0A 120 -5,-0.2 2,-0.4 -2,-0.2 -5,-0.2 -0.599 49.1-171.4 -76.8 136.1 11.6 79.3 41.5 12 12 A E E -A 5 0A 68 -7,-2.8 -7,-3.2 -2,-0.3 2,-0.4 -0.987 9.5-154.7-123.3 142.2 9.0 76.8 42.4 13 13 A T E +A 4 0A 81 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.975 21.1 167.2-116.7 130.4 8.6 74.9 45.8 14 14 A I E -A 3 0A 15 -11,-2.5 -11,-3.0 -2,-0.4 2,-0.5 -0.882 34.0-118.7-131.3 163.9 6.9 71.6 45.9 15 15 A E E -A 2 0A 128 -2,-0.3 -13,-0.2 -13,-0.2 14,-0.0 -0.910 30.9-179.5-102.4 132.6 6.5 68.8 48.5 16 16 A C - 0 0 0 -15,-3.0 6,-0.1 -2,-0.5 -2,-0.0 -0.941 22.3-131.1-137.1 116.4 7.9 65.4 47.4 17 17 A P > - 0 0 48 0, 0.0 3,-1.9 0, 0.0 8,-0.1 -0.175 29.0-109.7 -59.3 158.5 7.7 62.3 49.6 18 18 A E T 3 S+ 0 0 120 1,-0.3 60,-0.0 60,-0.1 63,-0.0 0.671 119.8 49.6 -65.8 -18.8 10.8 60.2 50.0 19 19 A D T 3 S+ 0 0 105 2,-0.1 2,-0.4 59,-0.1 -1,-0.3 0.082 97.1 83.1-110.9 21.5 9.3 57.5 47.9 20 20 A T S < S- 0 0 27 -3,-1.9 2,-0.1 59,-0.1 56,-0.1 -0.974 80.4-115.7-122.2 136.5 8.2 59.7 45.0 21 21 A Y > - 0 0 62 -2,-0.4 4,-2.3 57,-0.2 5,-0.2 -0.423 24.1-122.0 -68.7 146.3 10.3 60.8 42.1 22 22 A I H > S+ 0 0 0 55,-2.8 4,-2.5 1,-0.2 5,-0.2 0.907 111.7 51.1 -55.0 -44.7 11.0 64.5 41.8 23 23 A L H > S+ 0 0 0 51,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.912 109.0 50.7 -62.7 -41.0 9.5 64.7 38.3 24 24 A D H > S+ 0 0 54 50,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.911 111.4 48.0 -64.0 -42.7 6.3 63.0 39.4 25 25 A A H X S+ 0 0 3 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.896 110.0 53.0 -63.6 -38.9 5.9 65.4 42.3 26 26 A A H <>S+ 0 0 0 -4,-2.5 5,-2.5 -5,-0.2 3,-0.3 0.908 109.2 48.4 -63.2 -40.2 6.5 68.3 40.1 27 27 A E H ><5S+ 0 0 64 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.916 108.2 53.8 -67.6 -41.6 3.8 67.1 37.7 28 28 A E H 3<5S+ 0 0 155 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.780 106.0 55.0 -60.8 -26.4 1.4 66.6 40.6 29 29 A A T 3<5S- 0 0 58 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.287 125.6-102.3 -88.9 5.5 2.0 70.2 41.6 30 30 A G T < 5S+ 0 0 62 -3,-1.9 -3,-0.2 1,-0.3 2,-0.2 0.595 75.9 137.4 87.5 11.1 1.1 71.4 38.1 31 31 A L < - 0 0 26 -5,-2.5 2,-0.4 -6,-0.2 -1,-0.3 -0.552 47.7-144.4 -90.7 157.6 4.6 72.0 36.7 32 32 A D + 0 0 156 -2,-0.2 -5,-0.1 2,-0.0 -9,-0.0 -0.664 28.1 172.3-120.1 73.0 5.7 71.1 33.3 33 33 A L - 0 0 13 -2,-0.4 2,-0.1 -10,-0.2 12,-0.1 -0.504 38.3 -98.3 -78.8 148.9 9.3 70.0 33.6 34 34 A P + 0 0 44 0, 0.0 2,-0.3 0, 0.0 54,-0.1 -0.397 52.9 147.7 -75.6 146.7 11.0 68.5 30.6 35 35 A Y + 0 0 110 -2,-0.1 8,-0.0 10,-0.1 0, 0.0 -0.949 20.7 176.2-157.2 172.9 11.4 64.8 30.0 36 36 A S S S+ 0 0 83 -2,-0.3 -1,-0.1 6,-0.0 6,-0.0 0.210 80.8 20.2-141.9 -78.2 11.6 62.2 27.3 37 37 A C S S- 0 0 57 1,-0.1 -2,-0.0 0, 0.0 0, 0.0 0.784 72.9-155.2 -75.3 -27.7 12.2 58.5 28.2 38 38 A R S S+ 0 0 80 1,-0.1 -1,-0.1 -15,-0.0 -3,-0.0 0.709 72.2 93.3 51.1 26.6 11.2 58.7 31.9 39 39 A A S S- 0 0 53 37,-0.0 -1,-0.1 0, 0.0 21,-0.0 0.247 103.3-103.6-131.6 13.8 13.5 55.8 32.5 40 40 A G S S+ 0 0 1 19,-0.1 20,-3.2 20,-0.1 21,-1.4 0.666 94.1 107.7 77.9 14.1 16.9 57.2 33.5 41 41 A A S S+ 0 0 57 19,-0.2 2,-0.2 18,-0.2 -1,-0.1 0.061 73.5 34.5-116.0 21.2 18.3 56.5 30.0 42 42 A C S S- 0 0 29 20,-0.0 19,-0.2 -6,-0.0 20,-0.1 -0.777 76.8-118.4-150.1-167.5 18.6 59.9 28.4 43 43 A S S > S+ 0 0 3 -2,-0.2 3,-1.6 18,-0.1 50,-0.1 0.245 75.3 110.4-125.9 17.8 19.4 63.4 29.7 44 44 A S T 3 S+ 0 0 28 1,-0.3 46,-0.2 46,-0.1 44,-0.1 0.802 83.9 42.0 -66.2 -27.6 16.2 65.3 28.9 45 45 A C T 3 S+ 0 0 7 44,-0.1 29,-1.4 43,-0.1 -1,-0.3 0.187 87.1 145.0-100.0 13.0 15.1 65.7 32.6 46 46 A A E < +C 73 0A 1 -3,-1.6 43,-2.2 27,-0.2 44,-0.5 -0.267 16.9 162.3 -63.2 140.1 18.6 66.5 33.8 47 47 A G E -C 72 0A 0 25,-2.7 25,-2.4 41,-0.2 2,-0.4 -0.803 34.5-113.5-136.4-175.6 19.1 69.0 36.6 48 48 A K E -CD 71 86A 78 38,-2.4 38,-3.0 -2,-0.3 2,-0.5 -0.995 21.0-133.0-125.9 125.5 21.8 70.0 39.0 49 49 A V E + D 0 85A 30 21,-3.1 36,-0.2 -2,-0.4 3,-0.1 -0.654 27.2 171.5 -76.4 120.4 21.5 69.5 42.8 50 50 A E E + 0 0 96 34,-2.9 2,-0.3 -2,-0.5 35,-0.2 0.623 69.2 11.2-100.1 -20.9 22.6 72.7 44.6 51 51 A S E S+ D 0 84A 71 33,-1.3 33,-2.1 2,-0.0 -1,-0.4 -0.966 108.2 13.7-156.7 145.7 21.6 71.6 48.1 52 52 A G S S- 0 0 27 -2,-0.3 2,-0.3 31,-0.2 31,-0.2 -0.312 79.1 -76.9 84.3-170.8 20.5 68.4 49.8 53 53 A E - 0 0 128 29,-0.3 27,-2.7 -2,-0.1 28,-0.6 -0.953 31.2-165.0-134.1 152.6 20.7 64.9 48.5 54 54 A V E -E 79 0B 29 -2,-0.3 2,-0.5 25,-0.3 23,-0.0 -0.877 17.3-138.9-127.2 160.2 19.0 62.6 46.1 55 55 A D E +E 78 0B 73 23,-2.5 23,-2.9 -2,-0.3 3,-0.1 -0.982 29.9 160.0-117.9 115.3 18.8 58.9 45.4 56 56 A Q > + 0 0 20 -2,-0.5 3,-2.2 21,-0.2 21,-0.1 -0.248 16.0 145.1-126.0 39.4 18.8 58.2 41.6 57 57 A S T 3 + 0 0 99 1,-0.3 -1,-0.1 3,-0.0 20,-0.1 0.775 67.0 57.7 -54.6 -34.5 20.0 54.5 41.7 58 58 A D T 3 S+ 0 0 103 18,-0.5 -1,-0.3 -3,-0.1 19,-0.1 0.658 83.5 108.1 -74.3 -10.2 17.9 53.4 38.7 59 59 A Q < + 0 0 22 -3,-2.2 -18,-0.2 17,-0.3 -19,-0.1 -0.348 38.2 172.8 -59.9 153.9 19.5 56.0 36.4 60 60 A S + 0 0 90 -20,-3.2 -19,-0.2 -18,-0.1 -1,-0.1 0.415 59.4 71.0-139.5 0.4 21.8 54.8 33.8 61 61 A F S S+ 0 0 82 -21,-1.4 2,-0.2 -19,-0.2 -20,-0.1 0.873 81.3 73.9 -86.3 -41.3 22.8 57.7 31.5 62 62 A L S S- 0 0 8 -22,-0.2 2,-0.1 -20,-0.1 11,-0.0 -0.500 74.2-135.7 -73.2 143.6 25.0 59.8 33.8 63 63 A D > - 0 0 82 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.406 31.1 -99.6 -89.9 175.7 28.5 58.7 34.6 64 64 A D H > S+ 0 0 136 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.860 122.1 56.7 -65.6 -31.5 30.0 58.9 38.0 65 65 A A H > S+ 0 0 58 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.914 109.0 46.0 -60.0 -46.4 31.9 62.1 37.1 66 66 A Q H 4>S+ 0 0 34 2,-0.2 5,-2.0 1,-0.2 3,-0.4 0.939 113.5 47.4 -65.4 -43.9 28.6 63.9 36.2 67 67 A M H ><5S+ 0 0 55 -4,-2.3 3,-2.0 1,-0.2 -2,-0.2 0.908 106.9 59.0 -64.2 -37.2 26.8 62.6 39.3 68 68 A G H 3<5S+ 0 0 71 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.787 103.0 52.9 -56.5 -33.9 29.8 63.7 41.3 69 69 A K T 3<5S- 0 0 121 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.465 129.1 -96.2 -85.7 -2.5 29.2 67.3 40.0 70 70 A G T < 5 + 0 0 17 -3,-2.0 -21,-3.1 1,-0.3 -3,-0.2 0.436 69.1 154.0 104.6 0.5 25.6 67.2 41.1 71 71 A F E < -C 48 0A 12 -5,-2.0 2,-0.3 -23,-0.2 -1,-0.3 -0.393 19.6-174.0 -66.1 144.9 23.8 66.2 37.9 72 72 A V E -C 47 0A 0 -25,-2.4 -25,-2.7 -29,-0.1 2,-0.9 -1.000 29.2-138.9-140.8 136.5 20.5 64.4 38.5 73 73 A L E > -C 46 0A 0 -2,-0.3 3,-1.8 -27,-0.2 -27,-0.2 -0.855 21.5-160.6 -94.2 103.7 17.9 62.7 36.3 74 74 A T G > S+ 0 0 5 -29,-1.4 -51,-2.2 -2,-0.9 3,-0.7 0.701 80.3 70.1 -63.2 -19.5 14.8 64.0 37.9 75 75 A C G 3 S+ 0 0 7 1,-0.2 -1,-0.3 -53,-0.2 -54,-0.1 0.715 115.1 23.9 -71.4 -19.3 12.6 61.3 36.4 76 76 A V G < S+ 0 0 4 -3,-1.8 2,-0.5 -56,-0.1 -18,-0.5 0.004 99.3 110.8-133.3 26.3 14.1 58.6 38.6 77 77 A A < - 0 0 0 -3,-0.7 -55,-2.8 -21,-0.1 -21,-0.2 -0.902 45.0-163.5-109.8 127.8 15.4 60.7 41.5 78 78 A Y E -E 55 0B 74 -23,-2.9 -23,-2.5 -2,-0.5 2,-0.3 -0.852 23.9-122.5 -95.3 143.8 14.0 60.6 45.1 79 79 A P E -E 54 0B 0 0, 0.0 -25,-0.3 0, 0.0 -59,-0.1 -0.617 21.6-174.4 -75.6 139.6 14.9 63.4 47.5 80 80 A T S S+ 0 0 70 -27,-2.7 2,-0.3 -2,-0.3 -26,-0.2 0.260 76.7 3.3-112.7 9.4 16.5 62.1 50.7 81 81 A S S S- 0 0 35 -28,-0.6 -1,-0.1 -79,-0.1 2,-0.1 -0.914 111.5 -53.7-162.1 175.4 16.4 65.5 52.3 82 82 A D - 0 0 79 -2,-0.3 2,-0.4 -81,-0.1 -29,-0.3 -0.469 69.0-161.3 -55.5 143.6 15.1 68.9 51.3 83 83 A V E -b 3 0A 3 -81,-1.9 -79,-2.8 -31,-0.2 2,-0.5 -0.989 24.4-155.3-137.7 138.1 16.6 69.6 47.9 84 84 A T E -bD 4 51A 27 -33,-2.1 -34,-2.9 -2,-0.4 -33,-1.3 -0.991 22.4-175.8-109.3 125.2 17.3 72.5 45.6 85 85 A I E -bD 5 49A 0 -81,-2.7 -79,-2.9 -2,-0.5 2,-0.6 -0.990 24.2-144.8-123.8 130.0 17.6 71.6 42.0 86 86 A L E -bD 6 48A 51 -38,-3.0 -38,-2.4 -2,-0.4 3,-0.2 -0.849 32.7-151.8 -83.8 117.4 18.5 73.8 39.0 87 87 A T + 0 0 7 -81,-2.2 -40,-0.2 -2,-0.6 -41,-0.1 -0.253 65.1 42.8 -86.3 176.3 16.3 72.4 36.2 88 88 A H + 0 0 87 -42,-0.3 3,-0.3 -54,-0.1 -41,-0.2 0.880 66.9 138.6 59.0 44.8 16.9 72.4 32.5 89 89 A Q >> + 0 0 44 -43,-2.2 3,-1.0 -3,-0.2 4,-0.5 0.262 26.6 109.8-104.4 14.8 20.6 71.5 32.7 90 90 A E G >4 S+ 0 0 70 -44,-0.5 3,-1.7 1,-0.3 4,-0.3 0.902 77.4 55.8 -54.7 -41.7 20.8 69.0 29.9 91 91 A A G >4 S+ 0 0 85 -3,-0.3 3,-1.6 1,-0.3 -1,-0.3 0.790 95.8 67.0 -61.8 -28.9 22.9 71.4 27.8 92 92 A A G <4 S+ 0 0 55 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.632 94.1 59.8 -70.4 -14.4 25.4 71.7 30.7 93 93 A L G << 0 0 24 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.590 360.0 360.0 -82.8 -14.5 26.3 68.0 30.1 94 94 A Y < 0 0 197 -3,-1.6 0, 0.0 -4,-0.3 0, 0.0 -0.610 360.0 360.0-117.8 360.0 27.5 68.6 26.5