==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 14-APR-03 1OFF . COMPND 2 MOLECULE: FERREDOXIN I; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCYSTIS SP.; . AUTHOR R.H.H.VAN DEN HEUVEL,A.MATTEVI . 95 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4981.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 60 63.2 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 . 20 21.1 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 . 10 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 10.5 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 0 1 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 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 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 2 A A 0 0 83 0, 0.0 19,-3.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 156.7 4.3 -0.3 -2.0 2 3 A S E -A 19 0A 61 17,-0.3 2,-0.3 18,-0.1 17,-0.3 -0.978 360.0-157.3-128.4 144.6 7.3 1.5 -0.5 3 4 A Y E -A 18 0A 56 15,-3.0 15,-2.9 -2,-0.4 2,-0.6 -0.839 20.0-118.6-123.3 153.7 9.6 4.0 -2.3 4 5 A T E -A 17 0A 54 -2,-0.3 81,-2.0 13,-0.2 2,-0.6 -0.825 29.0-163.9 -90.7 123.1 13.1 5.3 -2.0 5 6 A V E -Ab 16 85A 0 11,-3.3 11,-2.7 -2,-0.6 2,-0.5 -0.942 4.9-155.6-112.8 113.5 13.0 9.1 -1.4 6 7 A K E -Ab 15 86A 68 79,-3.1 81,-2.8 -2,-0.6 2,-0.5 -0.805 12.5-160.1 -86.3 129.0 16.3 10.9 -2.0 7 8 A L E -Ab 14 87A 0 7,-3.4 7,-2.9 -2,-0.5 2,-0.8 -0.935 9.4-163.5-116.9 124.5 16.4 14.2 -0.0 8 9 A I E +Ab 13 88A 47 79,-2.3 81,-2.7 -2,-0.5 5,-0.2 -0.910 20.8 174.2-109.0 107.9 18.8 17.0 -0.8 9 10 A T - 0 0 22 3,-2.1 3,-0.3 -2,-0.8 81,-0.1 -0.570 50.7 -96.2-102.9 170.8 19.0 19.3 2.0 10 11 A P S S+ 0 0 93 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 0.700 125.8 51.0 -55.8 -22.1 21.2 22.4 2.6 11 12 A D S S- 0 0 161 1,-0.2 2,-0.3 0, 0.0 -3,-0.0 0.816 123.5 -80.4 -86.6 -33.5 23.5 20.0 4.6 12 13 A G - 0 0 32 -3,-0.3 -3,-2.1 -5,-0.0 2,-0.4 -0.909 60.5 -42.1 168.9-140.0 23.9 17.3 2.0 13 14 A E E +A 8 0A 132 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.991 43.7 167.5-135.4 133.5 22.1 14.2 0.5 14 15 A S E -A 7 0A 44 -7,-2.9 -7,-3.4 -2,-0.4 2,-0.4 -0.885 20.9-146.2-136.2 163.4 20.2 11.4 2.0 15 16 A S E +A 6 0A 78 -2,-0.3 2,-0.3 -9,-0.3 -9,-0.2 -1.000 19.9 178.5-131.4 133.5 17.8 8.5 1.0 16 17 A I E -A 5 0A 16 -11,-2.7 -11,-3.3 -2,-0.4 2,-0.4 -0.899 30.0-115.4-127.8 156.5 15.0 7.2 3.1 17 18 A E E -A 4 0A 111 -2,-0.3 2,-0.4 -13,-0.2 -13,-0.2 -0.817 34.5-179.5 -90.8 135.5 12.3 4.5 2.6 18 19 A C E -A 3 0A 3 -15,-2.9 -15,-3.0 -2,-0.4 6,-0.1 -0.975 21.8-132.8-142.4 119.5 8.8 5.8 2.5 19 20 A S E > -A 2 0A 45 -2,-0.4 3,-2.0 -17,-0.3 -17,-0.3 -0.299 30.5-111.1 -63.0 155.5 5.6 3.8 2.1 20 21 A D T 3 S+ 0 0 70 -19,-3.1 -1,-0.1 1,-0.3 -18,-0.1 0.629 120.5 50.5 -63.5 -13.5 3.0 4.9 -0.4 21 22 A D T 3 S+ 0 0 114 -20,-0.3 2,-0.4 2,-0.1 -1,-0.3 0.094 94.5 84.7-112.1 24.3 0.8 5.7 2.6 22 23 A T S < S- 0 0 26 -3,-2.0 2,-0.1 59,-0.1 -4,-0.0 -0.989 80.4-120.9-118.2 132.5 3.3 7.7 4.6 23 24 A Y > - 0 0 53 -2,-0.4 4,-2.8 57,-0.2 57,-0.2 -0.434 24.1-119.6 -65.6 147.4 3.9 11.5 3.9 24 25 A I H > S+ 0 0 0 55,-3.2 4,-2.3 1,-0.2 53,-0.2 0.888 112.9 52.0 -59.1 -42.2 7.4 12.4 2.9 25 26 A L H > S+ 0 0 0 51,-2.4 4,-2.6 54,-0.2 -1,-0.2 0.911 110.6 48.7 -59.9 -42.6 7.9 14.7 5.9 26 27 A D H > S+ 0 0 54 50,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.918 110.5 50.0 -65.7 -44.1 6.8 11.9 8.3 27 28 A A H X S+ 0 0 4 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.912 110.5 51.1 -57.9 -38.9 9.1 9.4 6.7 28 29 A A H X>S+ 0 0 0 -4,-2.3 5,-2.0 -5,-0.2 4,-1.1 0.925 110.4 48.4 -68.7 -42.9 11.9 11.9 7.0 29 30 A E H <5S+ 0 0 60 -4,-2.6 3,-0.5 1,-0.2 -1,-0.2 0.904 107.8 55.5 -60.5 -39.6 11.2 12.5 10.7 30 31 A E H <5S+ 0 0 153 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.915 105.4 52.1 -60.7 -38.2 11.0 8.7 11.3 31 32 A A H <5S- 0 0 66 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.795 125.7-105.9 -68.9 -27.6 14.5 8.4 9.9 32 33 A G T <5S+ 0 0 63 -4,-1.1 -3,-0.2 -3,-0.5 -2,-0.1 0.395 72.8 137.1 117.3 3.0 15.7 11.1 12.3 33 34 A L < - 0 0 53 -5,-2.0 2,-0.6 1,-0.0 -1,-0.3 -0.352 50.3-133.4 -77.3 160.6 16.1 14.1 10.0 34 35 A D + 0 0 141 -2,-0.1 -1,-0.0 2,-0.0 -5,-0.0 -0.861 32.3 169.2-120.2 89.1 14.9 17.6 10.8 35 36 A L - 0 0 4 -2,-0.6 12,-0.1 -10,-0.2 -26,-0.0 -0.743 40.0 -97.1 -96.7 153.9 13.0 19.1 7.9 36 37 A P + 0 0 35 0, 0.0 2,-0.3 0, 0.0 54,-0.1 -0.306 52.0 150.7 -71.5 151.6 11.0 22.3 8.3 37 38 A Y + 0 0 110 10,-0.1 8,-0.0 9,-0.0 0, 0.0 -0.960 20.1 167.3-168.4 163.7 7.3 22.5 9.0 38 39 A S S S+ 0 0 86 -2,-0.3 -1,-0.0 6,-0.0 0, 0.0 0.233 81.3 22.2-139.9 -83.0 4.5 24.5 10.7 39 40 A C S S- 0 0 57 1,-0.1 -2,-0.0 2,-0.0 0, 0.0 0.769 71.3-157.8 -67.7 -27.1 0.9 23.7 9.9 40 41 A R S S+ 0 0 85 1,-0.1 -1,-0.1 2,-0.0 -3,-0.0 0.744 71.3 93.1 46.1 31.4 1.4 20.1 8.8 41 42 A A S S- 0 0 64 37,-0.0 -1,-0.1 0, 0.0 37,-0.0 0.233 103.3-102.4-135.6 14.1 -1.9 20.4 6.9 42 43 A G S S+ 0 0 0 19,-0.1 20,-2.9 1,-0.1 21,-0.5 0.608 92.7 108.4 78.4 14.2 -0.9 21.6 3.4 43 44 A A S S+ 0 0 57 18,-0.2 2,-0.2 19,-0.1 -1,-0.1 0.172 72.3 36.1-110.7 14.5 -1.9 25.2 4.0 44 45 A C S S- 0 0 27 20,-0.0 19,-0.2 1,-0.0 18,-0.1 -0.750 75.0-115.5-147.6-166.5 1.4 27.0 4.2 45 46 A S S > S+ 0 0 19 -2,-0.2 3,-1.8 18,-0.1 50,-0.1 0.339 78.7 105.7-122.6 5.3 4.9 27.0 2.6 46 47 A T T 3 S+ 0 0 32 1,-0.3 46,-0.3 46,-0.1 44,-0.1 0.880 87.4 40.3 -54.1 -42.9 7.0 26.0 5.6 47 48 A C T 3 S+ 0 0 5 44,-0.1 29,-1.5 43,-0.1 -1,-0.3 0.220 84.8 148.8 -94.2 13.8 7.6 22.5 4.4 48 49 A A E < +C 75 0A 1 -3,-1.8 43,-2.2 27,-0.2 44,-0.5 -0.158 16.2 169.9 -58.0 137.3 8.1 23.3 0.7 49 50 A G E -C 74 0A 0 25,-2.4 25,-2.4 42,-0.2 2,-0.5 -0.852 30.0-122.7-133.7 174.1 10.4 21.1 -1.3 50 51 A K E -CD 73 88A 55 38,-2.5 38,-3.0 -2,-0.3 2,-0.5 -0.973 16.9-145.2-126.9 119.0 11.2 20.7 -5.0 51 52 A I E + D 0 87A 31 21,-3.1 36,-0.2 -2,-0.5 3,-0.1 -0.688 22.9 170.1 -77.0 128.0 10.7 17.4 -6.8 52 53 A T E + 0 0 76 34,-2.6 2,-0.3 -2,-0.5 -1,-0.1 0.634 68.3 16.9-110.3 -21.8 13.3 16.8 -9.5 53 54 A A E S+ D 0 86A 49 33,-1.1 33,-2.0 2,-0.0 -1,-0.4 -0.986 108.8 15.9-147.6 148.2 12.6 13.1 -10.3 54 55 A G S S- 0 0 45 -2,-0.3 2,-0.3 31,-0.2 31,-0.2 -0.259 77.7 -91.4 83.9-170.4 9.7 10.8 -9.6 55 56 A S - 0 0 51 29,-0.3 27,-2.8 -2,-0.0 28,-0.9 -0.962 25.1-157.5-144.4 158.5 6.2 11.8 -8.6 56 57 A V E -E 81 0B 30 -2,-0.3 2,-0.6 25,-0.3 23,-0.1 -0.818 22.4-127.4-126.3 168.9 4.0 12.4 -5.5 57 58 A D E +E 80 0B 70 23,-2.9 23,-2.7 -2,-0.3 3,-0.2 -0.960 37.7 158.3-112.4 103.4 0.4 12.4 -4.6 58 59 A Q > + 0 0 23 -2,-0.6 3,-2.5 21,-0.3 21,-0.1 -0.216 15.5 142.3-113.2 41.3 -0.1 15.8 -2.9 59 60 A S T 3 + 0 0 93 1,-0.3 -1,-0.1 19,-0.0 20,-0.1 0.768 69.3 56.6 -57.0 -27.1 -3.8 16.0 -3.3 60 61 A D T 3 S+ 0 0 103 18,-0.5 -1,-0.3 -3,-0.2 2,-0.1 0.483 79.2 111.8 -87.0 -0.3 -4.3 17.6 0.1 61 62 A Q < + 0 0 32 -3,-2.5 -18,-0.2 17,-0.2 -19,-0.1 -0.474 33.6 167.7 -66.9 143.1 -2.0 20.5 -0.6 62 63 A S + 0 0 93 -20,-2.9 -19,-0.1 -18,-0.1 -1,-0.1 0.190 60.2 67.4-140.1 16.9 -3.8 23.8 -0.8 63 64 A F S S+ 0 0 95 -21,-0.5 2,-0.3 -19,-0.2 -20,-0.1 0.777 78.4 81.4-105.6 -38.1 -1.1 26.5 -0.8 64 65 A L - 0 0 9 -22,-0.2 2,-0.1 -20,-0.1 11,-0.0 -0.516 69.6-138.1 -78.3 134.5 0.8 26.0 -4.0 65 66 A D > - 0 0 81 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.328 32.3 -95.7 -81.5 174.2 -0.5 27.6 -7.2 66 67 A D H > S+ 0 0 138 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.844 124.1 48.4 -63.7 -37.0 -0.6 25.8 -10.6 67 68 A D H > S+ 0 0 129 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.885 109.8 52.1 -70.1 -40.4 2.7 27.4 -11.8 68 69 A Q H 4>S+ 0 0 41 2,-0.2 5,-2.4 1,-0.2 -2,-0.2 0.909 111.6 48.0 -62.5 -39.0 4.5 26.5 -8.6 69 70 A I H ><5S+ 0 0 64 -4,-2.4 3,-1.9 3,-0.2 -2,-0.2 0.938 108.2 53.5 -63.1 -46.3 3.3 22.9 -9.1 70 71 A E H 3<5S+ 0 0 166 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.898 105.0 55.9 -54.3 -43.8 4.5 22.9 -12.7 71 72 A A T 3<5S- 0 0 62 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.477 126.6-101.0 -68.5 -5.5 7.9 24.1 -11.4 72 73 A G T < 5 + 0 0 10 -3,-1.9 -21,-3.1 1,-0.3 -3,-0.2 0.483 65.8 156.2 98.9 8.1 8.1 21.0 -9.1 73 74 A Y E < -C 50 0A 30 -5,-2.4 2,-0.3 -23,-0.2 -1,-0.3 -0.398 16.0-177.9 -72.4 139.1 7.1 22.5 -5.8 74 75 A V E -C 49 0A 2 -25,-2.4 -25,-2.4 -2,-0.1 2,-0.9 -0.981 32.1-130.5-134.5 152.3 5.7 20.1 -3.2 75 76 A L E > -C 48 0A 0 -2,-0.3 3,-1.8 -27,-0.2 4,-0.4 -0.881 23.1-159.5-102.3 101.2 4.4 20.4 0.3 76 77 A T T 3 S+ 0 0 3 -29,-1.5 -51,-2.4 -2,-0.9 3,-0.4 0.712 83.5 65.8 -58.4 -20.8 6.3 17.6 2.0 77 78 A C T 3 S+ 0 0 5 1,-0.2 -1,-0.3 -53,-0.2 -54,-0.1 0.673 115.5 26.5 -75.8 -17.2 3.8 17.4 4.9 78 79 A V S < S+ 0 0 7 -3,-1.8 2,-0.5 -55,-0.0 -18,-0.5 0.148 98.2 108.4-127.7 16.7 1.0 16.2 2.7 79 80 A A - 0 0 0 -3,-0.4 -55,-3.2 -4,-0.4 -21,-0.3 -0.849 45.7-167.5-103.3 123.7 2.9 14.5 -0.1 80 81 A Y E -E 57 0B 61 -23,-2.7 -23,-2.9 -2,-0.5 2,-0.2 -0.840 29.5-114.4 -98.6 145.7 2.9 10.8 -0.5 81 82 A P E -E 56 0B 0 0, 0.0 -25,-0.3 0, 0.0 -59,-0.1 -0.526 27.5-176.8 -74.8 143.5 5.5 9.3 -2.8 82 83 A T S S+ 0 0 62 -27,-2.8 2,-0.3 1,-0.3 -26,-0.2 0.392 74.5 3.1-117.8 2.1 4.1 7.6 -5.9 83 84 A S S S- 0 0 34 -28,-0.9 -1,-0.3 -79,-0.0 -80,-0.1 -0.919 103.8 -64.5-158.1 175.8 7.4 6.4 -7.3 84 85 A D S S+ 0 0 96 -2,-0.3 2,-0.3 -3,-0.1 -29,-0.3 -0.464 72.0 178.4 -60.2 139.5 11.0 6.6 -6.1 85 86 A C E -b 5 0A 5 -81,-2.0 -79,-3.1 -31,-0.2 2,-0.4 -0.950 35.5-132.8-149.4 167.5 11.8 10.3 -6.1 86 87 A T E -bD 6 53A 31 -33,-2.0 -34,-2.6 -2,-0.3 -33,-1.1 -0.998 24.9-177.8-127.9 126.6 14.2 13.0 -5.4 87 88 A I E -bD 7 51A 0 -81,-2.8 -79,-2.3 -2,-0.4 2,-0.5 -0.993 21.0-144.8-131.9 125.0 13.1 16.1 -3.4 88 89 A E E -bD 8 50A 45 -38,-3.0 -38,-2.5 -2,-0.4 3,-0.2 -0.812 30.1-150.8 -86.6 127.0 15.3 19.1 -2.6 89 90 A T + 0 0 6 -81,-2.7 -40,-0.2 -2,-0.5 -41,-0.1 -0.402 66.0 43.0 -97.5 174.5 14.2 20.3 0.8 90 91 A H + 0 0 65 -42,-0.4 3,-0.3 -54,-0.1 -41,-0.2 0.884 68.1 140.6 62.2 41.6 14.1 23.7 2.5 91 92 A K >> + 0 0 50 -43,-2.2 3,-1.6 -3,-0.2 4,-0.6 0.325 25.8 109.8 -98.0 7.7 12.7 25.4 -0.6 92 93 A E G >4 S+ 0 0 80 -44,-0.5 3,-2.3 -46,-0.3 -1,-0.2 0.887 72.4 61.8 -48.2 -47.6 10.3 27.8 1.0 93 94 A E G 34 S+ 0 0 171 1,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.735 92.6 65.6 -56.9 -26.6 12.5 30.8 0.1 94 95 A D G <4 0 0 71 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.810 360.0 360.0 -59.9 -32.8 12.0 30.0 -3.6 95 96 A L << 0 0 66 -3,-2.3 -1,-0.2 -4,-0.6 -2,-0.2 0.693 360.0 360.0 -78.5 360.0 8.3 30.8 -3.2