==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 10-OCT-98 1FRQ . COMPND 2 MOLECULE: PROTEIN (FERREDOXIN:NADP+ OXIDOREDUCTASE); . SOURCE 2 ORGANISM_SCIENTIFIC: SPINACIA OLERACEA; . AUTHOR A.ALIVERTI,Z.DENG,D.RAVASI,L.PIUBELLI,P.A.KARPLUS,G.ZANETTI . 296 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14423.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 204 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 16.2 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 . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 19 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 18.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 0 2 0 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 1 1 2 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 . 6 0 1 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 19 A H 0 0 243 0, 0.0 2,-0.4 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 121.6 27.2 29.1 22.6 2 20 A S - 0 0 21 1,-0.1 5,-0.0 2,-0.1 287,-0.0 -0.878 360.0-164.3-119.0 148.8 26.6 25.4 22.7 3 21 A K S S+ 0 0 57 -2,-0.4 138,-3.2 138,-0.1 139,-0.4 0.512 79.5 77.1 -93.9 -10.1 24.6 23.2 25.0 4 22 A K B S-A 140 0A 7 136,-0.3 2,-2.4 137,-0.1 3,-0.4 -0.541 98.3-100.5-103.9 162.0 26.6 20.3 23.5 5 23 A M S S+ 0 0 26 134,-2.6 134,-0.2 1,-0.2 -1,-0.1 -0.490 72.1 134.2 -76.9 67.2 30.1 19.0 24.1 6 24 A E > + 0 0 56 -2,-2.4 3,-1.4 132,-0.1 2,-0.2 0.633 26.6 112.0 -89.6 -22.4 31.4 20.7 20.9 7 25 A E T 3 S- 0 0 104 -3,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.405 90.3 -0.1 -66.2 123.9 34.6 22.3 22.1 8 26 A G T 3 S+ 0 0 71 -2,-0.2 -1,-0.3 1,-0.2 2,-0.1 0.742 88.9 156.6 74.0 24.2 37.8 20.8 20.6 9 27 A I < - 0 0 29 -3,-1.4 2,-0.4 1,-0.0 -1,-0.2 -0.420 37.2-129.4 -78.7 161.7 36.1 18.1 18.5 10 28 A T - 0 0 42 41,-0.4 2,-0.4 -2,-0.1 43,-0.2 -0.930 24.3-177.9-117.5 132.3 37.8 16.6 15.5 11 29 A V - 0 0 71 -2,-0.4 122,-0.2 120,-0.1 120,-0.0 -0.994 64.3 -9.4-134.0 126.5 36.1 16.4 12.2 12 30 A N + 0 0 65 120,-2.6 -1,-0.1 -2,-0.4 121,-0.1 0.879 66.1 151.6 55.0 44.2 37.5 14.8 9.1 13 31 A K S S+ 0 0 92 118,-0.9 2,-0.4 1,-0.1 -1,-0.1 0.933 77.4 39.4 -63.1 -44.7 41.0 14.3 10.2 14 32 A F B S-B 131 0B 31 117,-2.2 117,-2.4 6,-0.0 -1,-0.1 -0.858 80.9-167.5-108.0 139.0 40.9 11.4 7.7 15 33 A K B > -C 18 0C 100 3,-1.0 3,-1.2 -2,-0.4 114,-0.1 -0.732 38.5 -98.2-123.2 167.8 39.2 11.7 4.3 16 34 A P T 3 S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 45,-0.0 0.879 124.3 49.4 -52.7 -37.6 38.2 9.4 1.5 17 35 A K T 3 S+ 0 0 204 1,-0.3 -3,-0.0 -3,-0.0 0, 0.0 0.687 127.6 24.3 -74.8 -18.3 41.3 10.2 -0.4 18 36 A T B < S+C 15 0C 83 -3,-1.2 -3,-1.0 2,-0.0 -1,-0.3 -0.526 84.6 175.7-148.2 69.6 43.5 9.5 2.6 19 37 A P - 0 0 37 0, 0.0 2,-0.4 0, 0.0 111,-0.2 -0.150 35.0-111.0 -76.3 166.3 41.7 7.2 4.9 20 38 A Y E -D 129 0D 34 109,-3.2 109,-3.5 -6,-0.1 2,-0.6 -0.859 29.6-140.7 -94.4 136.9 43.2 5.8 8.1 21 39 A V E +D 128 0D 63 -2,-0.4 107,-0.2 107,-0.2 2,-0.2 -0.913 28.6 171.5-105.2 115.2 43.8 2.0 7.8 22 40 A G E -D 127 0D 2 105,-3.0 105,-2.7 -2,-0.6 2,-0.4 -0.620 25.1-121.3-112.6 178.7 42.9 0.1 10.9 23 41 A R E -DE 126 45D 133 22,-0.7 22,-3.0 103,-0.3 2,-0.4 -0.945 22.6-112.4-125.4 148.2 42.7 -3.6 11.7 24 42 A C E + E 0 44D 3 101,-2.9 100,-3.7 -2,-0.4 20,-0.2 -0.618 29.7 175.9 -79.5 129.7 39.9 -5.7 12.9 25 43 A L E + 0 0 75 18,-3.2 2,-0.3 -2,-0.4 -1,-0.2 0.816 68.4 3.1 -94.4 -50.7 40.4 -7.1 16.5 26 44 A L E - E 0 43D 76 17,-1.1 17,-2.3 96,-0.1 -1,-0.4 -0.989 51.6-174.4-141.0 150.1 37.1 -8.8 17.1 27 45 A N E + E 0 42D 27 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.923 17.5 174.7-147.8 111.8 33.9 -9.4 15.1 28 46 A T E - E 0 41D 70 13,-2.2 13,-2.6 -2,-0.3 2,-0.5 -0.981 32.2-128.7-125.1 137.9 31.0 -11.1 16.9 29 47 A K E - E 0 40D 67 -2,-0.4 11,-0.3 11,-0.2 -2,-0.0 -0.687 26.4-177.1 -79.9 124.2 27.4 -11.8 15.9 30 48 A I + 0 0 49 9,-2.7 2,-0.3 -2,-0.5 164,-0.2 0.372 53.2 78.1-108.0 5.0 25.3 -10.4 18.6 31 49 A T S S- 0 0 8 8,-0.7 160,-0.2 160,-0.1 2,-0.1 -0.803 80.7-115.9-106.2 152.3 21.7 -11.3 17.5 32 50 A G - 0 0 33 158,-2.3 -2,-0.1 -2,-0.3 -1,-0.0 -0.392 32.4 -99.5 -80.2 173.5 20.4 -14.8 18.0 33 51 A D S S+ 0 0 149 1,-0.2 4,-0.2 -2,-0.1 -1,-0.1 0.756 120.3 62.3 -62.7 -29.6 19.4 -17.2 15.2 34 52 A D S S+ 0 0 109 2,-0.1 3,-0.2 156,-0.0 -1,-0.2 0.999 81.5 107.0 -54.9 -65.2 15.7 -16.3 15.6 35 53 A A S S- 0 0 11 1,-0.2 2,-1.4 4,-0.0 -4,-0.1 0.452 80.4-118.9 -18.4 127.2 16.4 -12.7 14.7 36 54 A P S S- 0 0 49 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.687 90.5 -3.6 -76.8 98.1 15.3 -11.4 11.3 37 55 A G S S- 0 0 37 -2,-1.4 2,-0.3 -3,-0.2 63,-0.1 0.133 88.1 -93.5 96.1 144.8 18.8 -10.5 10.0 38 56 A E - 0 0 57 61,-0.2 61,-2.6 -8,-0.0 2,-0.4 -0.718 28.1-165.1 -99.1 151.4 22.1 -10.5 11.7 39 57 A T E - F 0 98D 12 -2,-0.3 -9,-2.7 59,-0.3 -8,-0.7 -0.992 9.4-161.4-133.5 134.2 23.8 -7.7 13.5 40 58 A W E -EF 29 97D 45 57,-2.8 57,-3.0 -2,-0.4 2,-0.6 -0.902 12.6-148.2-122.5 145.0 27.5 -7.8 14.4 41 59 A H E -EF 28 96D 20 -13,-2.6 -13,-2.2 -2,-0.3 2,-0.4 -0.965 27.3-178.8-109.6 123.1 29.6 -5.8 16.9 42 60 A M E -EF 27 95D 0 53,-2.6 53,-2.5 -2,-0.6 2,-0.5 -0.956 17.3-151.3-132.6 145.4 33.1 -5.3 15.7 43 61 A V E -EF 26 94D 4 -17,-2.3 -18,-3.2 -2,-0.4 -17,-1.1 -0.916 11.8-168.4-116.9 132.0 36.1 -3.6 17.1 44 62 A F E -EF 24 93D 0 49,-2.9 49,-1.8 -2,-0.5 2,-0.3 -0.901 21.0-122.9-117.6 150.4 38.9 -2.0 15.2 45 63 A S E +EF 23 92D 18 -22,-3.0 -22,-0.7 -2,-0.4 47,-0.2 -0.674 34.1 160.8 -85.9 140.2 42.4 -0.8 16.2 46 64 A H > - 0 0 3 45,-2.8 3,-2.8 -2,-0.3 4,-0.2 0.308 42.2-134.7-139.0 1.9 43.1 2.8 15.5 47 65 A E T 3 - 0 0 116 44,-1.2 44,-0.2 1,-0.3 45,-0.1 0.770 68.8 -60.3 48.3 31.8 46.0 3.4 17.8 48 66 A G T 3 S+ 0 0 40 43,-0.2 -1,-0.3 2,-0.1 43,-0.1 0.645 109.2 120.2 74.0 17.6 44.6 6.7 19.0 49 67 A E < + 0 0 85 -3,-2.8 -2,-0.1 1,-0.2 -1,-0.1 0.781 64.5 60.9 -84.9 -24.6 44.8 8.2 15.6 50 68 A I S S- 0 0 3 -4,-0.2 2,-2.2 -37,-0.0 -1,-0.2 -0.827 71.4-164.2-105.1 97.7 41.1 8.9 15.4 51 69 A P + 0 0 59 0, 0.0 -41,-0.4 0, 0.0 2,-0.1 -0.411 27.2 169.2 -81.6 69.6 40.3 11.3 18.3 52 70 A Y - 0 0 15 -2,-2.2 2,-0.3 31,-0.2 -41,-0.1 -0.326 24.5-146.2 -80.4 164.9 36.5 10.7 18.2 53 71 A R > - 0 0 67 -43,-0.2 3,-2.0 4,-0.1 26,-0.2 -0.914 38.3 -80.4-125.0 154.8 33.8 11.8 20.8 54 72 A E T 3 S+ 0 0 5 -2,-0.3 85,-0.5 1,-0.3 28,-0.1 -0.234 116.9 31.9 -53.8 136.7 30.5 10.1 21.8 55 73 A G T 3 S+ 0 0 5 24,-0.4 82,-0.4 1,-0.3 -1,-0.3 0.200 95.0 114.4 97.5 -15.3 27.8 10.7 19.2 56 74 A Q < - 0 0 1 -3,-2.0 23,-2.6 22,-0.1 -1,-0.3 -0.301 52.9-139.7 -85.3 174.0 30.1 10.9 16.2 57 75 A S E -GH 78 133D 21 76,-2.3 76,-2.8 21,-0.3 2,-0.3 -0.827 2.0-147.5-125.6 165.0 30.3 8.6 13.2 58 76 A V E -G 77 0D 0 19,-2.1 19,-2.5 -2,-0.3 2,-0.4 -0.931 20.3-126.1-126.0 152.7 33.2 7.2 11.1 59 77 A G E -GH 76 130D 0 71,-2.1 71,-2.3 -2,-0.3 2,-0.4 -0.800 16.8-153.5-100.3 142.7 33.0 6.4 7.4 60 78 A V E -GH 75 129D 0 15,-3.0 15,-2.3 -2,-0.4 69,-0.2 -0.974 3.0-159.8-117.8 127.1 33.9 3.0 6.0 61 79 A I E - H 0 128D 15 67,-1.8 67,-0.6 -2,-0.4 13,-0.1 -0.957 22.7-142.6-102.9 101.6 35.2 2.6 2.4 62 80 A P - 0 0 2 0, 0.0 10,-0.5 0, 0.0 52,-0.1 -0.415 24.6 -96.2 -67.1 148.3 34.6 -1.1 1.6 63 81 A D S S+ 0 0 84 8,-0.1 2,-0.2 51,-0.1 54,-0.0 -0.304 83.9 43.5 -61.8 148.8 37.2 -2.9 -0.5 64 82 A G S S- 0 0 51 8,-0.1 8,-0.9 5,-0.1 2,-0.3 -0.596 81.4 -83.0 111.0-176.4 36.7 -3.2 -4.3 65 83 A E B -I 71 0E 133 6,-0.2 4,-0.1 -2,-0.2 2,-0.1 -0.882 34.1-113.1-127.0 157.6 35.6 -0.9 -7.1 66 84 A D > - 0 0 31 4,-3.5 3,-2.2 -2,-0.3 4,-0.1 -0.281 54.7 -78.9 -77.1 178.0 32.2 0.2 -8.3 67 85 A K T 3 S+ 0 0 201 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.605 132.8 56.8 -55.7 -11.9 31.0 -0.9 -11.8 68 86 A N T 3 S- 0 0 99 2,-0.2 -1,-0.3 3,-0.0 -2,-0.1 -0.014 119.3-105.4-107.0 22.5 33.2 1.9 -13.2 69 87 A G S < S+ 0 0 40 -3,-2.2 -2,-0.1 1,-0.2 3,-0.1 0.499 82.8 125.0 69.8 0.3 36.4 0.7 -11.7 70 88 A K S S- 0 0 123 1,-0.1 -4,-3.5 -4,-0.1 -1,-0.2 -0.559 71.5 -87.9 -91.0 156.5 36.4 3.5 -9.1 71 89 A P B -I 65 0E 95 0, 0.0 -6,-0.2 0, 0.0 -1,-0.1 -0.325 53.4 -96.9 -63.5 143.3 36.6 3.0 -5.3 72 90 A H - 0 0 33 -8,-0.9 2,-0.1 -10,-0.5 3,-0.1 -0.221 42.4-101.2 -58.1 152.6 33.2 2.4 -3.5 73 91 A K - 0 0 147 1,-0.1 -1,-0.1 -3,-0.1 2,-0.1 -0.400 44.1-102.3 -68.5 151.0 31.6 5.4 -1.9 74 92 A L - 0 0 62 -13,-0.1 2,-0.3 -2,-0.1 -13,-0.2 -0.400 29.5-151.5 -77.4 152.6 32.0 5.6 1.8 75 93 A R E -G 60 0D 84 -15,-2.3 -15,-3.0 -2,-0.1 2,-0.4 -0.903 15.3-128.2-119.0 144.8 29.1 4.6 4.1 76 94 A L E -G 59 0D 95 -2,-0.3 2,-0.4 -17,-0.2 -17,-0.2 -0.859 21.2-174.8 -98.6 142.1 28.7 6.1 7.7 77 95 A Y E -G 58 0D 34 -19,-2.5 -19,-2.1 -2,-0.4 2,-0.2 -0.993 28.0-121.3-133.8 128.3 28.3 4.2 10.9 78 96 A S E -G 57 0D 23 -2,-0.4 18,-0.5 -21,-0.2 2,-0.3 -0.533 38.6-106.9 -65.9 143.9 27.6 5.8 14.2 79 97 A I - 0 0 0 -23,-2.6 -24,-0.4 -2,-0.2 82,-0.3 -0.590 29.1-165.9 -75.1 132.0 30.3 4.9 16.7 80 98 A A + 0 0 0 14,-2.6 2,-0.3 -2,-0.3 15,-0.2 0.394 65.5 70.6 -99.7 -1.0 29.0 2.3 19.3 81 99 A S S S- 0 0 0 13,-0.6 80,-0.2 1,-0.1 13,-0.1 -0.855 85.1-111.8-116.1 153.5 31.9 2.7 21.8 82 100 A S - 0 0 0 -2,-0.3 3,-0.5 78,-0.2 12,-0.1 -0.229 46.2 -89.0 -72.3 172.4 32.6 5.6 24.0 83 101 A A S S+ 0 0 32 1,-0.3 -31,-0.2 78,-0.1 9,-0.1 0.830 130.1 46.0 -54.8 -36.5 35.8 7.8 23.4 84 102 A L S S- 0 0 57 1,-0.1 6,-3.1 5,-0.1 7,-0.5 0.737 109.5-146.1 -79.0 -28.5 38.0 5.5 25.6 85 103 A G > - 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