==== 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 05-MAY-98 1PFD . COMPND 2 MOLECULE: FERREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PETROSELINUM CRISPUM; . AUTHOR S.-C.IM,G.LIU,C.LUCHINAT,A.G.SYKES,I.BERTINI . 96 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5306.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 61 63.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 18.8 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 . 0 0.0 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 . 1 1.0 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 . 15 15.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 11.5 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 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 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 1 2 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 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 81 0, 0.0 18,-0.1 0, 0.0 81,-0.1 0.000 360.0 360.0 360.0 79.2 16.6 -5.1 -0.1 2 2 A T - 0 0 75 79,-0.1 17,-0.3 1,-0.1 2,-0.2 0.980 360.0-159.8 58.8 78.3 14.0 -5.4 -2.9 3 3 A Y E -A 18 0A 70 15,-2.3 15,-2.7 78,-0.2 2,-1.2 -0.491 24.6-106.7 -97.4 159.6 11.2 -7.5 -1.3 4 4 A N E -A 17 0A 67 13,-0.2 2,-0.6 -2,-0.2 81,-0.2 -0.691 41.9-172.9 -83.0 90.1 8.4 -9.6 -2.6 5 5 A V E -A 16 0A 0 11,-2.4 11,-2.6 -2,-1.2 2,-0.5 -0.798 10.1-152.4 -89.5 124.0 5.3 -7.5 -2.0 6 6 A K E -Ab 15 86A 42 79,-2.5 81,-2.4 -2,-0.6 2,-0.6 -0.851 6.7-167.4 -89.8 132.2 1.9 -9.0 -2.7 7 7 A L E -Ab 14 87A 0 7,-0.9 7,-2.3 -2,-0.5 2,-1.3 -0.952 13.4-150.0-111.7 103.6 -0.9 -6.7 -3.6 8 8 A I E - b 0 88A 51 79,-2.9 81,-1.4 -2,-0.6 42,-0.2 -0.670 28.6-179.8 -71.6 95.9 -4.2 -8.7 -3.4 9 9 A T >> - 0 0 10 -2,-1.3 3,-2.1 79,-0.2 4,-1.3 -0.745 43.5-111.8 -92.8 156.8 -6.0 -6.7 -6.1 10 10 A P T 34 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.819 118.4 67.8 -53.6 -35.3 -9.6 -7.5 -7.2 11 11 A D T 34 S- 0 0 146 1,-0.1 -3,-0.1 3,-0.0 0, 0.0 0.734 132.6 -87.9 -54.3 -31.0 -8.0 -8.7 -10.5 12 12 A G T <4 S- 0 0 49 -3,-2.1 -4,-0.1 -5,-0.1 -1,-0.1 0.781 76.2 -47.3 113.5 61.0 -6.6 -11.5 -8.4 13 13 A E < - 0 0 93 -4,-1.3 -5,-0.3 1,-0.1 2,-0.2 0.672 38.5-147.9 72.0 142.7 -3.2 -10.5 -6.9 14 14 A V E -A 7 0A 42 -7,-2.3 -7,-0.9 2,-0.0 2,-0.3 -0.765 13.6-166.8-139.9 87.3 -0.1 -8.8 -8.2 15 15 A E E +A 6 0A 106 -9,-0.2 2,-0.3 -2,-0.2 -9,-0.2 -0.628 25.4 159.7 -66.7 132.2 3.1 -10.0 -6.5 16 16 A F E -A 5 0A 3 -11,-2.6 -11,-2.4 -2,-0.3 2,-0.6 -0.930 43.6 -94.5-153.4 166.7 5.9 -7.7 -7.4 17 17 A K E -A 4 0A 92 -2,-0.3 2,-0.4 -13,-0.2 -13,-0.2 -0.844 38.6-179.0 -96.2 123.0 9.4 -6.5 -6.3 18 18 A C E -A 3 0A 0 -15,-2.7 -15,-2.3 -2,-0.6 2,-0.2 -0.987 22.0-130.3-127.1 123.0 9.5 -3.3 -4.2 19 19 A D > - 0 0 49 -2,-0.4 3,-2.3 -17,-0.3 8,-0.1 -0.461 17.7-126.2 -68.7 143.0 12.6 -1.6 -2.9 20 20 A D T 3 S+ 0 0 57 1,-0.3 -1,-0.1 -2,-0.2 63,-0.0 0.723 115.9 49.4 -56.4 -25.0 12.9 -0.7 0.8 21 21 A D T 3 S+ 0 0 144 59,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.019 104.7 72.2-107.9 21.3 13.7 2.8 -0.5 22 22 A V S < S- 0 0 30 -3,-2.3 2,-0.2 59,-0.1 -4,-0.0 -0.953 83.0-104.1-134.5 158.3 10.8 3.0 -3.0 23 23 A Y > - 0 0 30 -2,-0.3 2,-2.6 57,-0.1 4,-1.3 -0.548 31.2-114.6 -78.7 144.9 7.0 3.5 -2.6 24 24 A V T 4 S+ 0 0 8 55,-1.8 -1,-0.1 -2,-0.2 56,-0.1 -0.353 115.4 38.5 -73.0 61.2 4.5 0.6 -3.1 25 25 A L T >> S+ 0 0 5 -2,-2.6 4,-2.8 54,-0.1 3,-0.7 -0.006 104.1 61.4-169.1 -61.6 3.2 2.4 -6.2 26 26 A D H 3> S+ 0 0 64 51,-0.3 4,-1.1 1,-0.3 -2,-0.1 0.917 116.5 33.9 -50.1 -56.0 6.2 4.0 -8.0 27 27 A Q H 3X S+ 0 0 52 -4,-1.3 4,-0.7 1,-0.2 -1,-0.3 0.604 113.7 63.0 -77.1 -13.8 7.8 0.5 -8.6 28 28 A A H X>>S+ 0 0 0 -3,-0.7 5,-2.7 -5,-0.3 4,-1.7 0.945 99.4 51.2 -75.6 -50.5 4.4 -1.2 -9.0 29 29 A E H 3<5S+ 0 0 106 -4,-2.8 -2,-0.2 3,-0.3 3,-0.2 0.891 102.8 63.1 -53.4 -39.0 3.5 0.9 -12.1 30 30 A E H 3<5S+ 0 0 151 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.845 107.4 40.9 -51.6 -38.8 6.9 -0.2 -13.5 31 31 A E H <<5S- 0 0 105 -3,-1.3 -1,-0.2 -4,-0.7 -2,-0.2 0.732 132.1 -98.0 -82.6 -23.9 5.7 -3.9 -13.4 32 32 A G T <5 + 0 0 59 -4,-1.7 2,-0.8 1,-0.2 -3,-0.3 0.477 66.8 160.0 122.2 15.2 2.3 -2.6 -14.7 33 33 A I < - 0 0 13 -5,-2.7 2,-1.9 -8,-0.1 -1,-0.2 -0.568 28.0-159.6 -80.6 108.4 0.4 -2.4 -11.4 34 34 A D - 0 0 145 -2,-0.8 -1,-0.1 -6,-0.1 -9,-0.0 -0.545 21.4-177.3 -80.0 72.9 -2.7 -0.1 -11.7 35 35 A I - 0 0 6 -2,-1.9 2,-2.5 -10,-0.1 -26,-0.0 -0.432 43.6 -96.4 -68.5 156.2 -3.1 0.6 -8.0 36 36 A P + 0 0 39 0, 0.0 11,-0.3 0, 0.0 2,-0.3 -0.444 69.7 155.7 -76.4 71.1 -6.1 2.8 -7.0 37 37 A Y + 0 0 112 -2,-2.5 3,-0.1 1,-0.1 40,-0.0 -0.699 26.2 170.4 -93.8 150.9 -4.0 5.9 -6.8 38 38 A S - 0 0 90 1,-0.5 2,-0.3 -2,-0.3 -1,-0.1 0.503 68.8 -17.4-128.4 -22.5 -5.4 9.5 -7.2 39 39 A C - 0 0 39 8,-0.0 -1,-0.5 0, 0.0 2,-0.2 -0.927 52.6-124.2-168.3 170.4 -2.3 11.7 -6.2 40 40 A R S S+ 0 0 130 -2,-0.3 -3,-0.0 -3,-0.1 0, 0.0 -0.658 77.7 92.0-135.1 83.9 1.0 11.5 -4.4 41 41 A A S S- 0 0 79 -2,-0.2 -1,-0.0 21,-0.0 3,-0.0 0.506 80.7-125.1-132.5 -47.5 1.0 14.2 -1.6 42 42 A G S S+ 0 0 7 19,-0.1 20,-0.4 20,-0.0 33,-0.0 0.850 78.9 98.6 99.0 46.3 -0.3 12.4 1.5 43 43 A S + 0 0 99 18,-0.1 2,-0.2 20,-0.0 20,-0.2 -0.483 59.1 115.5-154.1 69.2 -3.3 14.4 2.7 44 44 A C - 0 0 39 18,-0.2 3,-0.0 2,-0.1 0, 0.0 -0.494 64.1-134.3-131.3-176.6 -6.3 12.4 1.3 45 45 A S S S+ 0 0 93 -2,-0.2 2,-0.2 51,-0.0 3,-0.1 -0.306 89.3 42.1-144.7 50.2 -9.4 10.4 2.2 46 46 A S + 0 0 29 1,-0.1 -2,-0.1 46,-0.0 30,-0.1 -0.685 66.4 86.6-158.3-152.6 -8.8 7.5 -0.3 47 47 A C + 0 0 7 -11,-0.3 29,-2.1 -2,-0.2 30,-0.4 0.843 60.2 134.8 45.1 71.2 -5.8 5.4 -1.5 48 48 A A E -C 75 0A 0 27,-0.3 43,-2.8 28,-0.2 42,-0.4 -0.921 33.3-165.5-143.2 166.1 -5.5 2.5 1.0 49 49 A G E -C 74 0A 0 25,-2.9 25,-2.6 -2,-0.3 2,-0.6 -0.920 30.7-105.6-142.6 164.5 -4.9 -1.2 1.3 50 50 A K E -CD 73 88A 55 38,-2.3 38,-2.3 -2,-0.3 2,-0.4 -0.876 28.6-133.7 -98.7 110.3 -5.3 -3.9 4.0 51 51 A V E + D 0 87A 41 21,-1.0 36,-0.3 -2,-0.6 3,-0.1 -0.518 28.4 174.5 -58.5 115.0 -2.0 -5.1 5.5 52 52 A V E - 0 0 80 34,-2.5 2,-0.3 -2,-0.4 35,-0.2 0.854 62.1 -23.4 -88.6 -48.0 -2.4 -8.9 5.6 53 53 A S E S+ D 0 86A 74 33,-2.4 33,-2.5 19,-0.0 -1,-0.4 -0.961 99.3 49.0-160.9 174.0 1.2 -9.7 6.8 54 54 A G S S- 0 0 29 31,-0.3 2,-0.3 -2,-0.3 31,-0.2 -0.222 76.2 -94.0 74.5-176.6 4.8 -8.5 7.0 55 55 A S + 0 0 81 29,-0.2 27,-0.8 -2,-0.1 28,-0.7 -0.971 39.9 173.9-135.1 149.4 5.6 -4.9 8.2 56 56 A I E -E 81 0B 34 -2,-0.3 2,-0.5 25,-0.2 -36,-0.0 -0.906 28.7-118.6-147.5 165.3 6.2 -1.7 6.3 57 57 A D E +E 80 0B 68 23,-2.7 23,-2.9 -2,-0.3 -2,-0.0 -0.967 31.7 162.1-119.1 113.5 6.7 2.0 7.0 58 58 A Q > + 0 0 21 -2,-0.5 2,-2.7 21,-0.3 3,-1.2 -0.126 25.4 139.9-110.9 31.8 4.2 4.6 5.9 59 59 A S T 3 + 0 0 100 1,-0.2 20,-0.1 21,-0.1 3,-0.0 -0.362 62.3 67.9 -74.5 64.8 5.4 7.4 8.3 60 60 A D T 3 S+ 0 0 73 -2,-2.7 -1,-0.2 18,-0.2 19,-0.1 0.411 79.7 77.1-154.5 -42.4 5.0 9.9 5.5 61 61 A Q < - 0 0 28 -3,-1.2 -18,-0.1 17,-0.4 2,-0.1 -0.059 62.1-143.6 -68.5 178.6 1.2 10.3 4.8 62 62 A S S S+ 0 0 87 -20,-0.4 -18,-0.2 -3,-0.0 3,-0.1 -0.630 74.4 62.3-145.0 82.8 -1.4 12.2 6.8 63 63 A F + 0 0 38 1,-0.4 -20,-0.0 -20,-0.2 -18,-0.0 0.080 64.7 86.7-156.4 -73.2 -4.7 10.2 6.6 64 64 A L - 0 0 8 1,-0.1 -1,-0.4 4,-0.1 2,-0.1 -0.131 67.3-133.3 -56.4 138.5 -5.0 6.7 8.1 65 65 A D > - 0 0 81 1,-0.1 4,-2.7 -3,-0.1 5,-0.2 -0.352 23.5-106.4 -83.1 166.4 -5.9 6.7 11.8 66 66 A D H > S+ 0 0 140 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.911 123.1 56.8 -53.6 -44.0 -4.2 4.5 14.5 67 67 A E H > S+ 0 0 151 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.955 108.2 43.6 -52.0 -61.5 -7.4 2.5 14.4 68 68 A Q H >>S+ 0 0 18 2,-0.2 5,-2.1 1,-0.2 4,-1.0 0.920 115.4 49.0 -54.9 -50.1 -7.1 1.7 10.7 69 69 A M H ><5S+ 0 0 67 -4,-2.7 3,-1.7 3,-0.2 4,-0.5 0.977 116.8 40.9 -52.0 -59.4 -3.4 0.9 11.0 70 70 A D H 3<5S+ 0 0 152 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.882 110.1 59.8 -56.0 -42.3 -3.9 -1.4 14.0 71 71 A A H 3<5S- 0 0 67 -4,-3.3 -1,-0.3 -5,-0.3 -2,-0.2 0.653 133.7 -88.9 -63.4 -20.7 -7.0 -2.8 12.3 72 72 A G T <<5S+ 0 0 14 -3,-1.7 -21,-1.0 -4,-1.0 2,-0.3 0.706 83.2 128.1 119.6 33.8 -4.8 -3.9 9.4 73 73 A Y E < +C 50 0A 25 -5,-2.1 2,-0.3 -4,-0.5 -1,-0.3 -0.770 27.7 179.1-119.0 162.7 -4.7 -0.9 7.0 74 74 A V E -C 49 0A 4 -25,-2.6 -25,-2.9 -2,-0.3 17,-0.1 -0.978 35.1-104.8-152.5 147.6 -2.1 1.2 5.1 75 75 A L E -C 48 0A 2 -2,-0.3 -27,-0.3 -27,-0.2 -28,-0.1 -0.427 25.2-146.7 -64.5 154.6 -2.0 4.1 2.6 76 76 A T S S+ 0 0 5 -29,-2.1 -28,-0.2 -40,-0.1 3,-0.1 0.177 87.8 53.3-116.0 19.2 -1.1 2.9 -0.9 77 77 A C S S+ 0 0 2 -30,-0.4 2,-0.6 1,-0.2 -51,-0.3 0.714 113.4 34.2-111.4 -48.4 0.8 6.1 -2.2 78 78 A H S S+ 0 0 8 -55,-0.1 -17,-0.4 -20,-0.1 2,-0.3 -0.868 82.1 122.0-117.7 89.9 3.4 6.6 0.6 79 79 A A - 0 0 2 -2,-0.6 -55,-1.8 -3,-0.1 -21,-0.3 -0.937 41.8-155.0-152.1 131.9 4.6 3.2 2.0 80 80 A Y E -E 57 0B 62 -23,-2.9 -23,-2.7 -2,-0.3 2,-0.6 -0.946 22.0-130.2-108.9 123.0 8.1 1.7 2.1 81 81 A P E -E 56 0B 0 0, 0.0 -25,-0.2 0, 0.0 -78,-0.2 -0.637 23.0-178.0 -76.3 113.9 8.3 -2.2 2.2 82 82 A T S S- 0 0 57 -27,-0.8 2,-0.3 -2,-0.6 -26,-0.2 0.640 71.0 -12.2 -89.5 -12.5 10.6 -3.2 5.1 83 83 A S S S- 0 0 46 -28,-0.7 2,-0.4 -80,-0.0 -80,-0.1 -0.896 106.9 -44.1-157.8-177.9 10.3 -6.9 4.3 84 84 A D S S- 0 0 106 -2,-0.3 2,-0.3 -79,-0.1 -79,-0.2 -0.526 70.7-175.6 -53.5 113.2 8.2 -9.3 2.2 85 85 A V - 0 0 1 -2,-0.4 -79,-2.5 -81,-0.2 2,-0.5 -0.929 23.0-151.2-120.6 145.8 4.7 -7.8 3.0 86 86 A V E +bD 6 53A 42 -33,-2.5 -34,-2.5 -2,-0.3 -33,-2.4 -0.991 28.5 160.0-114.7 125.6 1.2 -9.0 1.9 87 87 A I E -bD 7 51A 6 -81,-2.4 -79,-2.9 -2,-0.5 2,-0.5 -0.955 35.6-130.4-138.0 155.5 -1.4 -6.3 1.6 88 88 A E E -bD 8 50A 50 -38,-2.3 -38,-2.3 -2,-0.3 -79,-0.2 -0.955 25.6-150.1-102.9 128.4 -4.8 -6.0 -0.2 89 89 A T + 0 0 1 -81,-1.4 -40,-0.2 -2,-0.5 -39,-0.1 -0.274 68.8 58.9 -86.4 178.7 -5.2 -2.9 -2.4 90 90 A H + 0 0 73 -42,-0.4 -41,-0.2 1,-0.1 -1,-0.1 0.937 62.5 135.7 69.3 51.4 -8.5 -1.0 -3.2 91 91 A K > + 0 0 17 -43,-2.8 3,-0.5 -17,-0.1 4,-0.2 -0.148 24.6 109.5-127.6 37.6 -9.4 -0.3 0.5 92 92 A E G >> S+ 0 0 82 -44,-0.3 3,-2.6 1,-0.2 4,-1.4 0.975 88.5 41.9 -65.2 -70.1 -10.6 3.3 0.4 93 93 A E G 34 S+ 0 0 166 1,-0.3 -1,-0.2 2,-0.2 -2,-0.1 0.091 110.7 60.3 -72.9 33.2 -14.2 2.2 1.0 94 94 A E G <4 S+ 0 0 82 -2,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.346 108.9 39.7-122.0 -3.9 -13.0 -0.3 3.6 95 95 A I T <4 0 0 17 -3,-2.6 -2,-0.2 -4,-0.2 -3,-0.1 0.742 360.0 360.0-111.7 -39.4 -11.4 2.2 6.0 96 96 A V < 0 0 130 -4,-1.4 -51,-0.0 -5,-0.1 -50,-0.0 -0.453 360.0 360.0 -80.5 360.0 -13.7 5.2 6.0