==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 07-SEP-96 1QUF . COMPND 2 MOLECULE: FERREDOXIN-NADP+ REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NOSTOC SP.; . AUTHOR L.SERRE,M.FREY,F.M.D.VELLIEUX . 296 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14100.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 199 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 15.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 23 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 19.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 2 1 0 2 1 1 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 0 2 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 PARALLEL BRIDGES PER LADDER . 6 1 1 2 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 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 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 8 A A 0 0 150 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 159.6 71.7 0.8 61.4 2 9 A D + 0 0 145 1,-0.2 0, 0.0 0, 0.0 0, 0.0 -0.255 360.0 77.9 175.1 -45.7 71.0 4.2 62.7 3 10 A V S S- 0 0 49 1,-0.0 -1,-0.2 45,-0.0 2,-0.2 -0.672 83.2-133.1 -85.5 115.7 67.6 3.3 64.2 4 11 A P + 0 0 21 0, 0.0 2,-0.3 0, 0.0 44,-0.2 -0.460 31.0 174.2 -70.4 136.8 68.0 1.5 67.4 5 12 A V - 0 0 57 -2,-0.2 124,-0.2 122,-0.1 42,-0.0 -0.978 55.3 -14.1-148.0 131.7 65.9 -1.6 67.8 6 13 A N + 0 0 58 122,-3.2 3,-0.1 -2,-0.3 123,-0.1 0.823 59.9 155.5 46.5 53.3 65.8 -4.3 70.5 7 14 A L S S+ 0 0 74 120,-0.6 2,-0.4 1,-0.2 -1,-0.1 0.670 80.6 35.8 -74.4 -19.7 69.1 -3.6 72.5 8 15 A Y B S-A 127 0A 39 119,-1.5 119,-0.7 120,-0.1 -1,-0.2 -0.998 77.6-173.9-136.1 129.1 67.2 -5.3 75.3 9 16 A R B > -B 12 0B 143 3,-0.6 3,-1.6 -2,-0.4 116,-0.1 -0.786 42.1 -92.2-119.5 164.4 64.8 -8.2 74.8 10 17 A P T 3 S+ 0 0 54 0, 0.0 46,-0.0 0, 0.0 116,-0.0 0.722 117.3 60.0 -46.6 -36.5 62.5 -10.0 77.3 11 18 A N T 3 S+ 0 0 142 1,-0.3 -3,-0.0 0, 0.0 0, 0.0 0.754 126.3 13.8 -69.2 -28.4 65.0 -12.8 78.3 12 19 A A B < S-B 9 0B 60 -3,-1.6 -3,-0.6 2,-0.0 -1,-0.3 -0.566 88.2-178.3-148.1 77.9 67.4 -10.3 79.7 13 20 A P - 0 0 26 0, 0.0 2,-0.4 0, 0.0 113,-0.2 -0.218 35.9 -92.7 -78.1 165.1 65.8 -6.9 80.0 14 21 A F E -C 125 0C 16 111,-2.9 111,-2.8 1,-0.1 2,-1.3 -0.674 30.9-138.7 -78.5 128.4 67.3 -3.6 81.2 15 22 A I E -C 124 0C 76 -2,-0.4 109,-0.2 109,-0.2 2,-0.2 -0.784 34.6-178.9 -87.6 92.6 66.8 -3.1 84.9 16 23 A G E -C 123 0C 1 107,-2.7 107,-2.6 -2,-1.3 2,-0.4 -0.517 19.8-131.2 -87.7 171.2 65.9 0.6 84.8 17 24 A K E -CD 122 39C 91 22,-1.0 22,-3.7 105,-0.2 105,-0.2 -0.985 17.1-121.1-129.9 127.9 65.1 2.8 87.8 18 25 A V E + D 0 38C 4 103,-2.2 102,-2.6 -2,-0.4 20,-0.2 -0.365 27.2 176.7 -62.8 135.3 62.1 5.1 88.2 19 26 A I E - 0 0 73 18,-2.8 2,-0.3 1,-0.4 -1,-0.2 0.724 66.8 -1.7-106.9 -41.4 63.0 8.7 88.8 20 27 A S E - D 0 37C 21 17,-0.9 17,-2.2 98,-0.1 -1,-0.4 -0.991 44.9-165.0-152.1 151.7 59.6 10.3 88.9 21 28 A N E + D 0 36C 25 -2,-0.3 15,-0.2 15,-0.2 -3,-0.0 -0.802 28.4 177.0-140.3 95.7 55.9 9.3 88.5 22 29 A E E - D 0 35C 115 13,-2.2 13,-3.3 -2,-0.3 2,-0.3 -0.775 29.9-109.0-109.3 145.7 53.9 12.5 87.9 23 30 A P E + D 0 34C 65 0, 0.0 11,-0.2 0, 0.0 9,-0.0 -0.538 26.1 178.3 -76.8 133.2 50.2 13.1 87.2 24 31 A L + 0 0 18 9,-2.9 2,-0.6 -2,-0.3 170,-0.2 0.743 66.8 74.4 -98.6 -35.5 49.0 14.3 83.8 25 32 A V S S- 0 0 20 8,-0.9 166,-0.2 168,-0.1 3,-0.1 -0.788 77.4-150.8 -84.6 117.4 45.3 14.3 84.4 26 33 A K > - 0 0 109 164,-2.2 3,-1.5 -2,-0.6 -2,-0.1 -0.305 37.7 -57.2 -81.6 177.6 44.5 17.3 86.6 27 34 A E T 3 S+ 0 0 192 1,-0.2 -1,-0.2 -2,-0.1 3,-0.1 -0.271 124.0 28.6 -58.9 130.8 41.6 17.8 89.1 28 35 A G T 3 S+ 0 0 71 1,-0.3 -1,-0.2 -3,-0.1 2,-0.2 0.430 94.9 121.0 98.1 2.1 38.2 17.3 87.5 29 36 A G < - 0 0 22 -3,-1.5 2,-0.7 161,-0.2 -1,-0.3 -0.518 69.7-107.9 -99.1 167.1 39.3 14.9 84.8 30 37 A I S S- 0 0 95 -2,-0.2 2,-0.1 -3,-0.1 158,-0.1 -0.821 78.6 -13.1 -93.5 112.0 38.3 11.4 84.0 31 38 A G S S- 0 0 55 -2,-0.7 2,-0.4 -6,-0.1 -2,-0.1 -0.413 73.0 -75.5 107.8-174.9 41.2 9.1 84.9 32 39 A I + 0 0 61 62,-0.2 62,-2.3 -2,-0.1 2,-0.4 -0.978 40.8 165.8-140.7 111.0 44.9 8.6 85.9 33 40 A V E - E 0 93C 10 -2,-0.4 -9,-2.9 60,-0.2 -8,-0.9 -0.987 20.3-164.6-130.3 122.8 47.5 9.1 83.2 34 41 A Q E -DE 23 92C 26 58,-2.5 58,-2.1 -2,-0.4 2,-0.8 -0.875 22.3-135.8-116.6 153.5 51.0 9.4 84.6 35 42 A H E -DE 22 91C 18 -13,-3.3 -13,-2.2 -2,-0.3 2,-0.4 -0.886 30.0-172.5-106.8 102.7 54.3 10.6 83.2 36 43 A I E -DE 21 90C 0 54,-1.4 54,-2.2 -2,-0.8 2,-0.4 -0.842 7.4-158.8-104.8 130.3 56.9 8.1 84.4 37 44 A K E -DE 20 89C 25 -17,-2.2 -18,-2.8 -2,-0.4 -17,-0.9 -0.885 6.0-158.6-109.1 137.0 60.6 8.7 83.9 38 45 A F E -DE 18 88C 0 50,-3.5 50,-1.6 -2,-0.4 2,-0.3 -0.952 18.7-124.0-122.8 135.3 63.2 5.9 84.0 39 46 A D E -DE 17 87C 46 -22,-3.7 -22,-1.0 -2,-0.4 48,-0.2 -0.571 22.9-176.7 -72.4 129.3 66.9 6.1 84.5 40 47 A L > + 0 0 9 46,-3.3 3,-1.4 -2,-0.3 5,-0.4 0.381 41.9 119.5-108.4 -2.5 68.8 4.5 81.6 41 48 A T T 3 + 0 0 68 45,-0.6 3,-0.1 1,-0.2 -24,-0.1 -0.437 62.9 46.8 -66.9 142.3 72.4 4.8 83.0 42 49 A G T 3 S+ 0 0 86 1,-0.4 -1,-0.2 -2,-0.1 2,-0.2 0.133 114.1 44.6 109.5 -13.5 74.1 1.5 83.5 43 50 A G S < S- 0 0 23 -3,-1.4 -1,-0.4 2,-0.1 -3,-0.1 -0.649 83.2-106.9-141.9-165.1 73.2 0.3 80.0 44 51 A N + 0 0 88 -2,-0.2 2,-0.8 -3,-0.1 -3,-0.1 -0.088 50.6 145.6-129.8 39.8 72.9 1.2 76.4 45 52 A L + 0 0 5 -5,-0.4 2,-0.4 -38,-0.1 -2,-0.1 -0.693 20.9 172.7 -81.3 106.3 69.2 1.6 75.6 46 53 A K + 0 0 117 -2,-0.8 2,-0.3 82,-0.0 -39,-0.2 -0.884 6.2 179.1-109.4 149.3 69.2 4.4 73.0 47 54 A Y - 0 0 5 -2,-0.4 2,-0.2 31,-0.3 -42,-0.1 -0.973 15.5-142.9-149.7 165.1 65.9 5.2 71.4 48 55 A I > - 0 0 28 -2,-0.3 3,-1.2 -44,-0.2 2,-0.3 -0.608 40.7 -64.2-124.4 179.7 64.4 7.5 68.8 49 56 A E T 3 S+ 0 0 4 1,-0.2 86,-0.5 -2,-0.2 28,-0.1 -0.508 114.9 18.8 -73.0 133.7 61.2 9.4 68.3 50 57 A G T 3 S+ 0 0 1 1,-0.3 -1,-0.2 24,-0.3 83,-0.2 0.310 97.2 122.6 94.4 -9.9 58.0 7.5 67.7 51 58 A Q < - 0 0 0 -3,-1.2 23,-2.8 22,-0.1 -1,-0.3 -0.183 47.7-145.7 -78.4 175.7 59.4 4.3 69.2 52 59 A S E -FG 73 129C 5 77,-2.4 77,-2.3 21,-0.3 2,-0.3 -0.785 3.9-154.7-132.0 174.8 58.2 2.2 72.0 53 60 A I E -F 72 0C 0 19,-1.9 19,-2.1 -2,-0.3 2,-0.3 -0.957 20.6-117.9-148.3 156.0 59.7 0.1 74.8 54 61 A G E -F 71 0C 0 -2,-0.3 72,-1.7 17,-0.2 2,-0.4 -0.711 14.7-160.6 -99.9 152.5 58.3 -2.8 76.8 55 62 A I E -FH 70 125C 0 15,-1.4 15,-1.4 -2,-0.3 70,-0.2 -0.998 10.4-150.8-129.5 121.5 57.7 -3.0 80.5 56 63 A I E - H 0 124C 18 68,-1.9 68,-0.6 -2,-0.4 13,-0.2 -0.894 19.7-142.6 -96.1 115.7 57.4 -6.5 82.0 57 64 A P - 0 0 5 0, 0.0 10,-0.3 0, 0.0 53,-0.1 -0.395 19.5-105.0 -76.8 158.1 55.2 -6.2 85.0 58 65 A P S S+ 0 0 77 0, 0.0 55,-0.1 0, 0.0 10,-0.0 -0.310 75.3 32.6 -76.9 165.7 55.8 -8.2 88.1 59 66 A G S S- 0 0 55 8,-0.1 8,-1.8 -2,-0.0 2,-0.3 -0.196 82.6 -71.4 89.8-177.3 53.8 -11.3 89.1 60 67 A V B -J 66 0D 89 6,-0.2 5,-0.1 1,-0.2 7,-0.0 -0.825 38.6-117.9-119.5 156.5 52.0 -14.1 87.4 61 68 A D > - 0 0 59 4,-3.0 3,-0.7 -2,-0.3 -1,-0.2 0.152 50.1 -78.1 -77.7-162.1 48.8 -14.2 85.3 62 69 A K T 3 S+ 0 0 202 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.746 131.8 52.3 -74.7 -13.3 45.6 -16.2 86.2 63 70 A N T 3 S- 0 0 133 2,-0.2 -1,-0.2 3,-0.1 0, 0.0 0.411 118.1-106.7 -99.9 -2.2 47.3 -19.4 84.9 64 71 A G S < S+ 0 0 48 -3,-0.7 -2,-0.1 1,-0.3 3,-0.1 0.301 78.5 126.8 96.2 -10.3 50.5 -19.1 86.9 65 72 A K - 0 0 152 1,-0.1 -4,-3.0 -5,-0.1 -1,-0.3 -0.529 68.6 -92.2 -84.1 145.8 52.8 -18.0 84.1 66 73 A P B -J 60 0D 106 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.079 46.2 -97.8 -52.5 153.2 54.9 -14.9 84.3 67 74 A E - 0 0 19 -8,-1.8 2,-0.2 -10,-0.3 -8,-0.1 -0.575 37.3-140.8 -78.2 130.9 53.5 -11.6 83.0 68 75 A K - 0 0 107 -2,-0.3 -13,-0.1 1,-0.2 -1,-0.0 -0.525 31.4 -78.9 -89.8 159.0 54.7 -10.7 79.6 69 76 A L - 0 0 50 -2,-0.2 2,-0.4 -13,-0.2 -13,-0.2 0.033 30.9-149.4 -52.0 157.8 55.6 -7.1 78.4 70 77 A R E -F 55 0C 79 -15,-1.4 -15,-1.4 40,-0.1 2,-0.4 -0.990 21.6-127.6-128.9 130.8 53.2 -4.4 77.4 71 78 A L E -F 54 0C 88 -2,-0.4 2,-0.4 -17,-0.2 -17,-0.2 -0.718 26.3-175.6 -84.7 141.2 54.4 -1.9 74.8 72 79 A Y E -F 53 0C 41 -19,-2.1 -19,-1.9 -2,-0.4 2,-0.2 -0.989 28.5-116.0-135.8 133.2 54.2 1.7 75.6 73 80 A S E -F 52 0C 12 -2,-0.4 18,-0.6 -21,-0.2 -21,-0.3 -0.555 38.4-108.2 -66.3 141.0 55.0 4.6 73.2 74 81 A I B -I 90 0C 1 -23,-2.8 -24,-0.3 -2,-0.2 83,-0.3 -0.543 26.1-164.0 -73.0 129.3 58.0 6.6 74.4 75 82 A A + 0 0 0 14,-2.9 2,-0.2 -2,-0.3 15,-0.2 0.523 68.0 67.5 -89.1 -11.6 56.8 10.1 75.6 76 83 A S S S- 0 0 0 13,-0.9 81,-0.2 1,-0.1 5,-0.1 -0.638 83.2-112.1-109.1 165.0 60.3 11.5 75.5 77 84 A T > - 0 0 1 -2,-0.2 3,-0.7 3,-0.1 12,-0.1 -0.225 47.9 -87.6 -79.9-177.3 62.7 12.4 72.7 78 85 A R T 3 S+ 0 0 71 1,-0.2 -31,-0.3 79,-0.1 3,-0.1 0.801 129.9 51.4 -62.8 -28.9 66.0 10.5 72.2 79 86 A H T 3 >S- 0 0 25 1,-0.2 6,-2.9 6,-0.1 5,-1.7 0.695 109.8-126.9 -82.3 -19.3 67.7 12.9 74.6 80 87 A G T X 5 - 0 0 1 -3,-0.7 3,-0.8 3,-0.2 -1,-0.2 -0.327 35.4 -64.7 93.7 172.2 65.1 12.5 77.4 81 88 A D T 3 5S+ 0 0 41 1,-0.2 -1,-0.2 -2,-0.1 -3,-0.0 0.729 137.2 44.2 -69.4 -27.2 63.1 15.1 79.2 82 89 A D T 3 5S- 0 0 86 -3,-0.2 -1,-0.2 84,-0.0 -2,-0.1 0.282 111.0-122.8-101.2 8.4 66.2 16.7 80.8 83 90 A V T < 5S+ 0 0 40 -3,-0.8 -3,-0.2 1,-0.1 -2,-0.1 0.937 79.4 115.2 44.0 64.0 68.0 16.6 77.5 84 91 A D S - 0 0 13 -13,-2.4 4,-1.3 -2,-0.4 5,-0.3 -0.420 23.7-131.9 -62.8 143.1 45.0 -3.6 84.0 109 116 A V H > S+ 0 0 66 2,-0.2 4,-1.7 1,-0.1 3,-0.3 0.985 97.0 28.3 -61.0 -69.4 48.1 -5.4 85.3 110 117 A C H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.872 120.5 54.5 -65.0 -36.1 51.0 -3.5 83.8 111 118 A S H > S+ 0 0 8 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.788 110.6 44.0 -68.1 -34.3 49.3 -0.1 83.7 112 119 A T H X S+ 0 0 34 -4,-1.3 4,-1.0 -3,-0.3 -1,-0.2 0.844 112.2 54.3 -76.9 -37.9 48.2 -0.0 87.3 113 120 A Y H < S+ 0 0 51 -4,-1.7 3,-0.3 -5,-0.3 -2,-0.2 0.936 115.1 40.8 -59.3 -45.5 51.7 -1.2 88.3 114 121 A L H >< S+ 0 0 0 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.863 110.1 54.0 -73.7 -42.0 53.2 1.6 86.4 115 122 A T H 3< S+ 0 0 7 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.643 118.7 38.7 -68.8 -12.0 50.7 4.4 87.4 116 123 A H T 3< S+ 0 0 113 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.189 86.2 128.8-120.7 13.8 51.5 3.5 91.0 117 124 A I < - 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