==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IRON-SULFUR PROTEIN 19-MAR-98 1A70 . COMPND 2 MOLECULE: FERREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SPINACIA OLERACEA; . AUTHOR C.BINDA,A.CODA,A.MATTEVI,A.ALIVERTI,G.ZANETTI . 97 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5337.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 65 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 21.6 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 1.0 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 . 10 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 10.3 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 0 1 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 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 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 A 0 0 90 0, 0.0 19,-2.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -91.2 2.4 -5.4 5.5 2 2 A A E -A 19 0A 50 17,-0.3 2,-0.3 18,-0.1 82,-0.1 -0.946 360.0-160.3-141.0 156.3 6.0 -4.3 5.3 3 3 A Y E -A 18 0A 63 15,-2.7 15,-3.6 -2,-0.3 2,-0.6 -0.870 25.1 -97.1-139.2 170.6 7.7 -1.6 3.3 4 4 A K E -A 17 0A 65 -2,-0.3 81,-2.1 13,-0.2 2,-0.5 -0.781 32.6-166.3 -94.4 121.0 11.0 -0.5 2.0 5 5 A V E -Ab 16 85A 0 11,-2.6 11,-1.5 -2,-0.6 2,-0.5 -0.936 4.1-169.0-104.7 123.7 12.9 2.1 4.0 6 6 A T E -Ab 15 86A 31 79,-3.3 81,-2.4 -2,-0.5 2,-0.5 -0.946 8.5-166.4-106.8 122.7 15.8 4.0 2.5 7 7 A L E -Ab 14 87A 0 7,-2.7 7,-2.1 -2,-0.5 2,-0.9 -0.923 12.0-152.3-109.8 133.8 17.8 6.0 5.1 8 8 A V E +Ab 13 88A 52 79,-2.5 81,-2.0 -2,-0.5 5,-0.2 -0.870 28.8 178.2 -98.0 98.5 20.4 8.6 3.9 9 9 A T E > -A 12 0A 16 3,-1.5 3,-2.4 -2,-0.9 81,-0.1 -0.630 42.9-102.5-104.4 167.9 22.9 8.7 6.8 10 10 A P T 3 S+ 0 0 91 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.789 121.8 37.2 -56.4 -30.7 26.0 10.6 7.2 11 11 A T T 3 S- 0 0 142 1,-0.3 2,-0.1 0, 0.0 -3,-0.0 0.154 129.2 -45.2-106.1 12.3 28.2 7.7 6.4 12 12 A G E < -A 9 0A 31 -3,-2.4 -3,-1.5 2,-0.0 -1,-0.3 -0.486 59.2 -74.3 141.0 152.5 26.0 6.2 3.7 13 13 A N E -A 8 0A 118 -5,-0.2 2,-0.4 -2,-0.1 -5,-0.2 -0.544 42.2-179.1 -77.8 143.2 22.6 5.0 2.4 14 14 A V E -A 7 0A 45 -7,-2.1 -7,-2.7 -2,-0.3 2,-0.3 -0.998 7.4-161.4-142.7 140.9 21.2 1.8 3.8 15 15 A E E +A 6 0A 123 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.868 16.3 157.3-120.0 159.0 17.9 -0.0 2.9 16 16 A F E -A 5 0A 11 -11,-1.5 -11,-2.6 -2,-0.3 2,-0.3 -0.941 41.9-100.5-172.4 154.2 15.8 -2.6 4.8 17 17 A Q E -A 4 0A 114 -2,-0.3 -13,-0.2 -13,-0.2 -2,-0.0 -0.679 36.0-163.8 -86.1 135.6 12.2 -3.9 4.9 18 18 A C E -A 3 0A 0 -15,-3.6 -15,-2.7 -2,-0.3 6,-0.1 -0.967 16.5-129.8-130.8 122.8 9.9 -2.6 7.8 19 19 A P E > -A 2 0A 50 0, 0.0 3,-1.8 0, 0.0 -17,-0.3 -0.358 25.5-120.4 -65.0 142.5 6.7 -4.0 9.0 20 20 A D T 3 S+ 0 0 71 -19,-2.4 -18,-0.1 1,-0.3 60,-0.0 0.496 111.5 58.1 -64.9 -7.2 3.9 -1.4 9.3 21 21 A D T 3 S+ 0 0 127 -20,-0.3 2,-0.4 2,-0.1 -1,-0.3 0.040 93.1 76.0-110.9 23.1 3.7 -2.2 13.0 22 22 A V S < S- 0 0 29 -3,-1.8 2,-0.1 59,-0.1 -4,-0.0 -0.995 82.5-112.1-134.9 136.6 7.3 -1.5 14.0 23 23 A Y > - 0 0 59 -2,-0.4 4,-2.7 57,-0.1 5,-0.2 -0.404 27.3-118.5 -65.4 147.9 8.9 1.9 14.5 24 24 A I H > S+ 0 0 0 55,-2.3 4,-2.7 1,-0.2 5,-0.2 0.907 112.5 50.6 -47.8 -52.3 11.5 3.0 12.0 25 25 A L H > S+ 0 0 0 51,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.932 110.6 47.3 -57.2 -50.4 14.2 3.2 14.8 26 26 A D H > S+ 0 0 51 50,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.934 112.5 50.2 -57.3 -46.1 13.6 -0.2 16.2 27 27 A A H X S+ 0 0 5 -4,-2.7 4,-1.1 1,-0.2 -2,-0.2 0.929 110.8 49.2 -58.1 -46.8 13.6 -1.8 12.7 28 28 A A H ><>S+ 0 0 0 -4,-2.7 5,-2.5 -5,-0.2 3,-0.5 0.909 109.9 51.4 -59.3 -42.3 16.8 -0.1 11.9 29 29 A E H ><5S+ 0 0 59 -4,-2.4 3,-2.1 1,-0.2 -2,-0.2 0.932 105.4 56.0 -57.4 -48.8 18.4 -1.3 15.2 30 30 A E H 3<5S+ 0 0 144 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.675 104.8 52.3 -52.3 -33.4 17.3 -4.9 14.4 31 31 A E T <<5S- 0 0 131 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.412 126.4-102.9 -84.7 -3.2 19.2 -4.7 11.1 32 32 A G T < 5S+ 0 0 70 -3,-2.1 2,-0.4 1,-0.3 -3,-0.2 0.700 72.3 145.3 88.4 20.9 22.3 -3.6 13.0 33 33 A I < - 0 0 32 -5,-2.5 2,-0.8 -6,-0.1 -1,-0.3 -0.752 43.8-138.0 -92.8 135.5 22.2 0.1 12.2 34 34 A D + 0 0 142 -2,-0.4 -5,-0.0 2,-0.0 -1,-0.0 -0.805 30.9 168.3 -97.9 112.6 23.3 2.7 14.8 35 35 A L - 0 0 3 -2,-0.8 2,-0.1 -10,-0.1 12,-0.0 -0.846 37.2-101.3-115.1 151.6 21.0 5.7 14.9 36 36 A P + 0 0 47 0, 0.0 2,-0.3 0, 0.0 54,-0.1 -0.410 50.0 149.8 -72.4 150.2 20.9 8.4 17.5 37 37 A Y + 0 0 118 -2,-0.1 8,-0.0 1,-0.1 10,-0.0 -0.990 20.4 169.4-163.4 168.0 18.3 8.5 20.2 38 38 A S S S+ 0 0 73 -2,-0.3 -1,-0.1 6,-0.0 0, 0.0 0.312 80.1 22.6-141.7 -77.4 17.7 9.6 23.8 39 39 A C S S- 0 0 53 1,-0.1 -2,-0.0 2,-0.0 0, 0.0 0.754 70.9-157.9 -72.4 -31.5 14.2 9.5 25.4 40 40 A R S S+ 0 0 93 1,-0.1 -1,-0.1 0, 0.0 -3,-0.0 0.690 70.8 93.8 60.8 15.8 12.7 6.9 22.9 41 41 A A S S- 0 0 69 37,-0.0 -1,-0.1 20,-0.0 21,-0.1 0.060 100.3-104.8-124.7 18.6 9.3 8.3 23.8 42 42 A G S S+ 0 0 1 19,-0.1 20,-2.7 1,-0.1 21,-1.0 0.727 93.0 102.8 67.1 26.3 8.6 11.0 21.1 43 43 A S + 0 0 63 19,-0.2 2,-0.2 18,-0.1 -1,-0.1 0.357 68.7 55.6-124.4 13.3 9.2 14.0 23.2 44 44 A C S S- 0 0 28 1,-0.0 3,-0.2 20,-0.0 19,-0.1 -0.769 72.8-120.7-136.3 179.2 12.6 15.2 22.2 45 45 A S S > S+ 0 0 32 -2,-0.2 3,-1.8 1,-0.2 46,-0.1 0.421 82.5 98.1 -97.0 -4.7 14.8 16.3 19.1 46 46 A S T 3 S+ 0 0 19 1,-0.3 46,-0.3 46,-0.1 -1,-0.2 0.799 85.0 39.1 -53.7 -45.4 17.4 13.6 19.4 47 47 A C T 3 S+ 0 0 6 -3,-0.2 29,-1.6 44,-0.1 -1,-0.3 0.096 87.1 148.1 -93.5 18.1 16.2 11.1 16.8 48 48 A A E < +C 75 0A 2 -3,-1.8 43,-2.1 27,-0.2 44,-0.5 -0.288 16.0 166.4 -60.1 143.3 15.1 13.7 14.3 49 49 A G E -C 74 0A 0 25,-2.6 25,-2.5 41,-0.2 2,-0.4 -0.823 34.3-116.1-139.6 177.3 15.2 13.1 10.6 50 50 A K E -CD 73 88A 48 38,-2.1 38,-3.0 -2,-0.2 2,-0.5 -0.985 25.5-133.1-124.7 121.5 13.7 14.9 7.4 51 51 A L E + D 0 87A 48 21,-2.7 36,-0.2 -2,-0.4 3,-0.1 -0.636 26.9 175.8 -77.1 120.7 11.2 12.8 5.2 52 52 A K E + 0 0 93 34,-2.9 2,-0.3 -2,-0.5 -1,-0.2 0.867 64.8 4.4 -92.1 -44.5 12.2 13.1 1.6 53 53 A T E S+ D 0 86A 89 33,-1.4 33,-2.1 2,-0.0 -1,-0.3 -0.998 103.1 24.4-145.8 138.5 9.7 10.8 -0.1 54 54 A G S S- 0 0 33 -2,-0.3 2,-0.3 31,-0.2 31,-0.2 -0.589 76.0 -71.6 110.1-173.0 6.7 8.8 1.1 55 55 A S - 0 0 64 29,-0.3 27,-2.3 -2,-0.2 28,-0.7 -0.936 37.1-172.1-129.8 151.0 4.2 8.9 4.0 56 56 A L E -E 81 0B 32 -2,-0.3 2,-0.6 25,-0.2 23,-0.0 -0.926 25.2-128.1-137.2 159.2 4.4 8.1 7.8 57 57 A N E +E 80 0B 57 23,-3.1 23,-2.5 -2,-0.3 3,-0.2 -0.967 30.4 167.4-110.9 113.7 2.2 7.8 10.8 58 58 A Q > + 0 0 30 -2,-0.6 3,-2.3 21,-0.2 -1,-0.1 0.010 32.6 123.3-113.2 21.5 3.5 10.1 13.6 59 59 A D T 3 S+ 0 0 133 1,-0.3 -1,-0.1 21,-0.1 20,-0.1 0.817 70.9 57.5 -53.4 -38.0 0.5 9.9 16.0 60 60 A D T 3 S+ 0 0 85 18,-0.5 -1,-0.3 -3,-0.2 2,-0.3 0.453 89.1 90.7 -74.1 -6.1 2.6 8.7 18.9 61 61 A Q < + 0 0 29 -3,-2.3 -18,-0.1 17,-0.2 -19,-0.1 -0.671 46.8 177.9 -88.9 154.9 5.0 11.6 18.8 62 62 A S + 0 0 91 -20,-2.7 -19,-0.2 -2,-0.3 -1,-0.1 0.419 61.6 71.2-131.9 1.8 4.3 14.8 20.9 63 63 A F S S+ 0 0 86 -21,-1.0 2,-0.2 -19,-0.1 -20,-0.1 0.882 77.5 74.4 -89.3 -44.2 7.1 17.2 20.4 64 64 A L S S- 0 0 12 -22,-0.2 2,-0.1 -20,-0.1 33,-0.0 -0.561 73.3-131.1 -76.4 146.9 6.8 18.7 16.8 65 65 A D > - 0 0 75 -2,-0.2 4,-2.2 1,-0.1 3,-0.3 -0.380 32.2 -99.4 -83.8 164.2 4.2 21.2 16.0 66 66 A D H > S+ 0 0 132 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.860 124.4 54.6 -53.4 -35.5 1.9 20.9 12.9 67 67 A D H > S+ 0 0 116 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.896 105.8 48.6 -65.1 -45.0 4.1 23.3 11.1 68 68 A Q H >>S+ 0 0 19 -3,-0.3 5,-2.2 2,-0.2 4,-0.7 0.913 112.3 49.8 -62.8 -42.1 7.3 21.4 11.7 69 69 A I H ><5S+ 0 0 50 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.917 109.4 51.3 -59.8 -46.4 5.5 18.2 10.5 70 70 A D H 3<5S+ 0 0 132 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.841 103.3 59.1 -57.3 -38.5 4.4 20.1 7.4 71 71 A E H 3<5S- 0 0 120 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.682 126.2-105.4 -66.3 -20.7 8.1 21.1 6.9 72 72 A G T <<5 + 0 0 16 -3,-1.1 -21,-2.7 -4,-0.7 -3,-0.2 0.525 66.4 154.7 105.6 14.7 8.8 17.4 6.8 73 73 A W E < -C 50 0A 6 -5,-2.2 2,-0.3 -23,-0.2 -1,-0.3 -0.479 19.8-171.5 -72.6 144.4 10.4 16.8 10.2 74 74 A V E -C 49 0A 1 -25,-2.5 -25,-2.6 -2,-0.1 2,-0.7 -0.998 25.3-142.4-138.6 144.8 10.1 13.3 11.7 75 75 A L E > -C 48 0A 0 -2,-0.3 3,-1.9 -27,-0.2 -27,-0.2 -0.904 17.3-159.0-105.3 105.7 10.9 11.6 15.1 76 76 A T G > S+ 0 0 5 -29,-1.6 -51,-1.9 -2,-0.7 3,-0.7 0.752 84.4 62.0 -63.5 -21.3 12.3 8.3 14.1 77 77 A C G 3 S+ 0 0 7 1,-0.2 -1,-0.3 -53,-0.2 -54,-0.1 0.582 115.0 33.9 -77.7 -9.3 11.6 6.6 17.5 78 78 A A G < S+ 0 0 4 -3,-1.9 -18,-0.5 -37,-0.1 2,-0.4 0.150 94.5 103.9-130.8 21.8 7.8 7.2 17.1 79 79 A A < - 0 0 0 -3,-0.7 -55,-2.3 -4,-0.1 -21,-0.2 -0.927 45.7-162.0-115.8 131.0 7.1 6.9 13.4 80 80 A Y E -E 57 0B 55 -23,-2.5 -23,-3.1 -2,-0.4 2,-0.2 -0.888 25.4-123.4-103.9 138.5 5.5 4.0 11.4 81 81 A P E -E 56 0B 0 0, 0.0 -25,-0.2 0, 0.0 -59,-0.1 -0.618 22.3-175.5 -77.6 138.2 5.9 3.8 7.6 82 82 A V S S- 0 0 72 -27,-2.3 2,-0.3 -2,-0.2 -26,-0.2 0.355 74.4 -1.7-108.9 -1.0 2.7 3.8 5.6 83 83 A S S S- 0 0 34 -28,-0.7 -1,-0.2 -79,-0.0 -80,-0.1 -0.918 107.1 -51.8-163.5-179.1 4.4 3.3 2.3 84 84 A D - 0 0 96 -2,-0.3 -29,-0.3 -3,-0.1 2,-0.3 -0.444 67.5-169.7 -64.8 146.5 7.9 3.1 1.0 85 85 A V E -b 5 0A 3 -81,-2.1 -79,-3.3 -31,-0.2 2,-0.5 -0.986 28.8-149.7-146.7 152.5 9.9 6.0 2.3 86 86 A T E +bD 6 53A 39 -33,-2.1 -34,-2.9 -2,-0.3 -33,-1.4 -0.984 25.1 179.5-114.5 127.0 13.2 7.9 2.1 87 87 A I E -bD 7 51A 0 -81,-2.4 -79,-2.5 -2,-0.5 2,-0.6 -0.988 25.1-141.0-132.7 131.9 14.5 9.7 5.2 88 88 A E E -bD 8 50A 53 -38,-3.0 -38,-2.1 -2,-0.4 -79,-0.2 -0.816 31.4-157.4 -87.8 123.5 17.6 11.8 5.9 89 89 A T + 0 0 9 -81,-2.0 -40,-0.1 -2,-0.6 -41,-0.1 -0.317 60.3 45.1 -96.3 178.4 18.9 10.9 9.5 90 90 A H + 0 0 84 -42,-0.2 -41,-0.2 -54,-0.1 -1,-0.2 0.946 67.3 133.9 52.6 59.0 21.1 12.7 12.1 91 91 A K >> + 0 0 34 -43,-2.1 3,-2.3 -3,-0.1 4,-0.7 0.276 24.6 112.0-118.7 8.2 19.3 16.1 11.7 92 92 A K G >4 S+ 0 0 90 -44,-0.5 3,-0.8 1,-0.3 -1,-0.1 0.846 77.0 54.7 -49.9 -41.1 18.9 17.1 15.3 93 93 A E G 34 S+ 0 0 172 1,-0.2 -1,-0.3 -45,-0.1 -2,-0.1 0.525 106.3 52.2 -76.1 -6.2 21.3 19.9 15.0 94 94 A E G <4 S+ 0 0 116 -3,-2.3 -1,-0.2 2,-0.0 -2,-0.2 0.516 81.3 117.5-107.2 -7.4 19.4 21.5 12.0 95 95 A L << + 0 0 36 -3,-0.8 2,-0.3 -4,-0.7 -50,-0.0 -0.312 35.2 166.3 -65.4 138.9 16.0 21.6 13.7 96 96 A T 0 0 91 -2,-0.1 -2,-0.0 -28,-0.0 -3,-0.0 -0.932 360.0 360.0-145.7 166.4 14.4 25.0 14.3 97 97 A A 0 0 121 -2,-0.3 -2,-0.0 -33,-0.0 -33,-0.0 -0.582 360.0 360.0 -83.7 360.0 10.9 26.2 15.2