==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 02-MAR-10 3LZW . COMPND 2 MOLECULE: FERREDOXIN--NADP REDUCTASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR H.KOMORI,D.SEO,T.SAKURAI,Y.HIGUCHI . 329 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16820.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 28 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 59 17.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 1 0 1 0 0 1 1 0 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 3 2 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 PARALLEL BRIDGES PER LADDER . 2 3 0 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 0 1 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 1 A M 0 0 150 0, 0.0 2,-0.2 0, 0.0 107,-0.2 0.000 360.0 360.0 360.0 131.4 -33.1 -16.9 9.3 2 2 A R E -a 108 0A 127 105,-1.8 107,-2.1 2,-0.0 2,-0.4 -0.716 360.0-138.7-114.5 171.8 -33.7 -13.5 10.8 3 3 A E E -a 109 0A 112 -2,-0.2 2,-0.8 105,-0.2 107,-0.2 -0.987 7.2-156.7-140.1 126.2 -33.1 -10.1 9.2 4 4 A D E - 0 0 33 105,-2.9 107,-0.3 -2,-0.4 104,-0.0 -0.902 10.7-169.7 -99.8 106.5 -31.6 -6.9 10.5 5 5 A T E + 0 0 106 -2,-0.8 2,-0.6 105,-0.1 -1,-0.1 0.318 51.0 110.2 -86.7 9.4 -33.1 -4.2 8.3 6 6 A K E - 0 0 108 1,-0.0 2,-1.0 105,-0.0 105,-0.7 -0.758 66.1-140.0 -80.3 123.1 -30.8 -1.4 9.7 7 7 A V E -a 111 0A 61 -2,-0.6 105,-0.3 103,-0.1 25,-0.1 -0.761 22.5-154.7 -83.3 105.6 -28.2 -0.4 7.0 8 8 A Y E -a 112 0A 20 103,-2.2 105,-2.7 -2,-1.0 106,-0.3 -0.404 16.3-133.7 -74.9 155.7 -25.0 0.0 9.0 9 9 A D E S+ 0 0 35 23,-0.4 105,-1.8 1,-0.3 2,-0.4 0.953 92.9 18.1 -70.4 -53.9 -22.3 2.3 7.8 10 10 A I E -ab 114 33A 1 22,-2.5 24,-2.1 103,-0.2 2,-0.5 -0.985 64.9-171.7-125.2 122.5 -19.5 -0.2 8.4 11 11 A T E -ab 115 34A 0 103,-1.9 105,-2.4 -2,-0.4 2,-0.5 -0.980 14.1-154.3-114.1 125.4 -19.9 -3.9 8.9 12 12 A I E -ab 116 35A 0 22,-3.5 24,-3.0 -2,-0.5 2,-0.9 -0.849 5.6-148.5-104.5 125.8 -16.8 -5.8 10.0 13 13 A I E S+ab 117 36A 12 103,-1.7 105,-2.5 -2,-0.5 24,-0.2 -0.841 73.5 21.5 -96.7 102.3 -16.3 -9.5 9.3 14 14 A G - 0 0 10 22,-3.1 23,-0.2 -2,-0.9 106,-0.1 0.379 63.1-137.8 109.9 124.6 -14.3 -10.9 12.1 15 15 A G + 0 0 0 26,-0.2 28,-3.1 4,-0.1 29,-0.2 -0.222 57.2 125.5-107.2 41.2 -13.7 -9.7 15.7 16 16 A G S > S- 0 0 9 102,-0.6 4,-2.5 27,-0.3 28,-0.2 -0.150 84.9 -74.2 -78.4-174.8 -10.0 -10.3 16.1 17 17 A P H > S+ 0 0 14 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.861 134.9 48.9 -56.0 -37.6 -7.6 -7.6 17.1 18 18 A V H > S+ 0 0 13 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.932 111.4 48.9 -71.4 -43.0 -7.7 -5.8 13.7 19 19 A G H > S+ 0 0 0 99,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.873 110.5 52.5 -58.7 -40.8 -11.6 -6.0 13.6 20 20 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.925 112.0 43.5 -63.7 -44.2 -11.7 -4.5 17.1 21 21 A F H X S+ 0 0 34 -4,-2.1 4,-2.7 -5,-0.2 -2,-0.2 0.893 112.0 54.6 -71.7 -35.2 -9.5 -1.6 16.2 22 22 A T H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.941 108.1 49.9 -55.2 -48.2 -11.4 -1.1 13.0 23 23 A A H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.932 110.1 50.4 -57.1 -49.0 -14.6 -0.9 15.1 24 24 A F H X S+ 0 0 15 -4,-2.3 4,-1.7 1,-0.2 3,-0.4 0.932 110.4 48.5 -53.2 -50.7 -13.0 1.7 17.3 25 25 A Y H X S+ 0 0 38 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.837 104.5 59.9 -66.6 -30.0 -11.9 3.8 14.4 26 26 A G H <>S+ 0 0 0 -4,-2.1 5,-2.5 1,-0.2 3,-0.4 0.908 105.6 49.6 -57.8 -41.8 -15.4 3.6 12.9 27 27 A G H ><5S+ 0 0 8 -4,-1.7 3,-1.9 -3,-0.4 -2,-0.2 0.880 104.3 58.1 -63.3 -39.6 -16.6 5.3 16.1 28 28 A M H 3<5S+ 0 0 19 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.780 108.9 45.9 -61.0 -29.4 -13.9 7.9 15.7 29 29 A R T 3<5S- 0 0 33 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.142 117.9-113.3-100.4 18.5 -15.4 8.8 12.3 30 30 A Q T < 5 + 0 0 174 -3,-1.9 2,-0.4 1,-0.2 -3,-0.2 0.868 65.8 149.0 54.3 42.8 -19.0 8.8 13.7 31 31 A A < - 0 0 8 -5,-2.5 2,-0.2 -6,-0.1 -1,-0.2 -0.852 54.3-113.5-105.2 140.4 -20.0 5.7 11.7 32 32 A S - 0 0 29 -2,-0.4 -22,-2.5 -25,-0.1 2,-0.4 -0.567 43.3-158.4 -66.9 134.8 -22.6 3.1 12.8 33 33 A V E -b 10 0A 2 48,-0.5 50,-2.5 -2,-0.2 2,-0.4 -0.975 21.3-178.2-129.9 133.3 -20.6 -0.1 13.3 34 34 A K E -bc 11 83A 0 -24,-2.1 -22,-3.5 -2,-0.4 2,-0.5 -0.996 9.9-159.5-123.4 137.2 -21.4 -3.8 13.4 35 35 A I E -bc 12 84A 0 48,-2.6 50,-3.0 -2,-0.4 2,-0.5 -0.970 4.3-164.8-109.9 128.7 -19.0 -6.7 14.1 36 36 A I E +bc 13 85A 2 -24,-3.0 -22,-3.1 -2,-0.5 2,-0.4 -0.966 14.1 179.5-112.0 125.4 -19.9 -10.2 12.9 37 37 A E - 0 0 11 48,-2.6 51,-2.5 -2,-0.5 50,-0.3 -0.994 30.1-145.7-134.2 134.4 -17.8 -13.0 14.5 38 38 A S S S+ 0 0 24 -2,-0.4 51,-0.2 49,-0.3 -1,-0.1 0.825 82.0 63.4 -62.8 -40.9 -17.9 -16.8 14.1 39 39 A L S S- 0 0 2 2,-0.3 48,-1.9 48,-0.1 49,-0.3 -0.368 89.9-114.8 -84.5 164.9 -16.9 -17.6 17.7 40 40 A P S S+ 0 0 40 0, 0.0 2,-0.3 0, 0.0 46,-0.1 0.228 100.4 52.2 -82.2 15.8 -18.9 -16.9 20.9 41 41 A Q S S- 0 0 80 3,-0.0 -2,-0.3 0, 0.0 3,-0.3 -0.980 78.1-127.3-143.2 154.9 -15.9 -14.6 21.9 42 42 A L S S+ 0 0 22 -2,-0.3 -26,-0.2 1,-0.1 28,-0.1 -0.496 72.3 79.7 -88.3 167.5 -14.0 -11.7 20.4 43 43 A G >> - 0 0 0 -28,-3.1 4,-1.2 -2,-0.2 3,-1.1 0.227 66.3-151.1 119.3 -12.2 -10.2 -11.7 20.1 44 44 A G H 3> S- 0 0 9 -3,-0.3 4,-2.2 1,-0.2 5,-0.3 -0.154 72.3 -5.7 58.3-135.7 -9.4 -13.9 17.1 45 45 A Q H 3>>S+ 0 0 55 1,-0.2 4,-2.3 2,-0.2 5,-0.9 0.819 135.2 56.7 -63.7 -33.4 -6.1 -15.7 17.1 46 46 A L H <>5S+ 0 0 5 -3,-1.1 4,-1.2 3,-0.2 -2,-0.2 0.967 115.0 34.5 -64.3 -51.4 -4.9 -14.0 20.3 47 47 A S H <5S+ 0 0 11 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.828 126.3 40.6 -74.5 -31.8 -7.9 -15.1 22.4 48 48 A A H <5S+ 0 0 15 -4,-2.2 -3,-0.2 -5,-0.1 -2,-0.2 0.831 130.1 20.0 -85.6 -34.7 -8.3 -18.5 20.7 49 49 A L H <5S+ 0 0 95 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.2 0.710 135.7 9.3-116.0 -27.7 -4.7 -19.6 20.3 50 50 A Y ><< + 0 0 65 -4,-1.2 3,-1.6 -5,-0.9 16,-0.4 -0.063 63.4 145.5-150.7 48.0 -2.4 -17.8 22.6 51 51 A P T 3 S+ 0 0 42 0, 0.0 16,-2.4 0, 0.0 17,-0.3 0.764 79.6 49.1 -59.7 -27.2 -4.3 -15.7 25.2 52 52 A E T 3 S+ 0 0 70 14,-0.2 2,-0.2 13,-0.1 -5,-0.1 0.567 90.7 99.8 -87.3 -15.0 -1.7 -16.3 27.9 53 53 A K S < S- 0 0 93 -3,-1.6 13,-2.7 -7,-0.2 2,-0.4 -0.467 71.3-122.3 -85.6 148.8 1.5 -15.4 25.9 54 54 A Y E -H 65 0B 108 11,-0.2 2,-0.4 -2,-0.2 11,-0.3 -0.742 20.8-151.6 -89.5 130.9 3.4 -12.2 26.0 55 55 A I E -H 64 0B 14 9,-3.1 9,-1.8 -2,-0.4 3,-0.1 -0.866 13.6-177.9-102.5 137.7 3.7 -10.3 22.7 56 56 A Y + 0 0 157 -2,-0.4 -1,-0.1 7,-0.2 5,-0.1 0.539 68.3 61.7-115.2 -10.5 6.8 -8.0 22.3 57 57 A D + 0 0 92 2,-0.1 2,-0.5 3,-0.1 240,-0.3 0.027 65.1 113.1-116.3 26.3 6.4 -6.4 18.9 58 58 A V S > S- 0 0 7 3,-0.4 3,-2.1 -3,-0.1 2,-0.0 -0.877 82.3 -99.4 -92.0 129.7 3.1 -4.3 19.2 59 59 A A T 3 S+ 0 0 87 -2,-0.5 -2,-0.1 1,-0.3 -1,-0.0 -0.243 103.9 12.2 -60.1 124.5 4.1 -0.7 19.0 60 60 A G T 3 S+ 0 0 77 1,-0.1 -1,-0.3 -2,-0.0 3,-0.1 0.302 102.3 101.6 95.2 -6.5 4.3 1.0 22.4 61 61 A F < - 0 0 72 -3,-2.1 -3,-0.4 1,-0.2 3,-0.2 -0.873 49.9-168.0-113.7 100.0 4.2 -2.3 24.5 62 62 A P S S- 0 0 119 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.887 88.1 -15.2 -48.4 -39.3 7.5 -3.5 25.8 63 63 A K S S+ 0 0 127 -3,-0.1 2,-0.3 -6,-0.0 -7,-0.2 -0.909 70.7 179.9-159.5 146.1 5.4 -6.6 26.5 64 64 A I E -H 55 0B 5 -9,-1.8 -9,-3.1 -2,-0.3 2,-0.1 -0.956 31.1-119.8-149.3 130.1 1.7 -7.3 26.6 65 65 A R E > -H 54 0B 85 -2,-0.3 4,-1.9 -11,-0.3 3,-0.5 -0.461 31.8-123.7 -62.4 134.5 -0.2 -10.5 27.4 66 66 A A H > S+ 0 0 0 -13,-2.7 4,-2.0 -16,-0.4 -14,-0.2 0.887 109.9 47.2 -54.0 -48.3 -2.3 -11.3 24.3 67 67 A Q H > S+ 0 0 43 -16,-2.4 4,-2.5 1,-0.2 -1,-0.3 0.830 108.6 56.5 -65.1 -31.6 -5.7 -11.4 26.1 68 68 A E H > S+ 0 0 80 -3,-0.5 4,-2.6 -17,-0.3 -1,-0.2 0.897 105.3 51.5 -64.9 -39.7 -4.8 -8.1 27.8 69 69 A L H X S+ 0 0 5 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.940 110.4 48.7 -60.7 -47.7 -4.3 -6.5 24.4 70 70 A I H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.923 111.5 49.3 -56.5 -46.4 -7.7 -7.8 23.3 71 71 A N H X S+ 0 0 67 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.892 108.7 53.5 -63.2 -38.7 -9.3 -6.4 26.5 72 72 A N H X S+ 0 0 47 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.884 108.3 49.7 -59.6 -42.8 -7.6 -3.1 25.9 73 73 A L H X S+ 0 0 6 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.881 109.4 51.7 -63.5 -39.9 -9.1 -2.9 22.4 74 74 A K H X S+ 0 0 81 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.904 110.7 48.4 -62.2 -41.0 -12.5 -3.7 23.9 75 75 A E H < S+ 0 0 140 -4,-2.3 4,-0.4 2,-0.2 3,-0.3 0.910 109.3 53.6 -65.1 -43.1 -12.0 -0.9 26.4 76 76 A Q H >< S+ 0 0 69 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.934 112.4 42.7 -55.7 -49.7 -11.0 1.4 23.6 77 77 A M H >< S+ 0 0 6 -4,-2.4 3,-2.1 1,-0.2 -1,-0.2 0.692 93.1 84.8 -74.8 -15.5 -14.2 0.7 21.6 78 78 A A T 3< S+ 0 0 73 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.690 77.7 67.7 -60.9 -20.8 -16.4 0.9 24.7 79 79 A K T < S+ 0 0 109 -3,-1.0 -1,-0.3 -4,-0.4 2,-0.2 0.705 103.9 50.9 -70.8 -19.2 -16.6 4.7 24.3 80 80 A F S < S- 0 0 51 -3,-2.1 2,-0.5 -4,-0.1 -56,-0.0 -0.659 91.8-102.0-115.0 168.9 -18.6 4.2 21.1 81 81 A D + 0 0 154 -2,-0.2 -48,-0.5 -54,-0.1 2,-0.3 -0.816 41.3 167.4 -93.6 128.6 -21.7 2.1 20.1 82 82 A Q - 0 0 43 -2,-0.5 2,-0.6 -50,-0.1 -48,-0.2 -0.984 32.3-134.7-132.4 147.7 -21.2 -1.1 18.2 83 83 A T E -c 34 0A 49 -50,-2.5 -48,-2.6 -2,-0.3 2,-0.5 -0.921 26.1-159.9 -95.7 120.5 -23.6 -3.9 17.4 84 84 A I E -c 35 0A 61 -2,-0.6 2,-0.6 -50,-0.2 -48,-0.2 -0.919 10.3-171.6-109.4 123.9 -21.8 -7.2 18.1 85 85 A C E -c 36 0A 13 -50,-3.0 -48,-2.6 -2,-0.5 3,-0.4 -0.884 12.7-175.3-117.8 95.9 -23.1 -10.4 16.5 86 86 A L + 0 0 65 -2,-0.6 -48,-0.2 1,-0.2 3,-0.1 -0.426 62.2 33.4 -87.0 166.1 -21.3 -13.4 17.9 87 87 A E S S+ 0 0 112 -48,-1.9 2,-0.4 -50,-0.3 -49,-0.3 0.852 91.2 119.5 54.0 39.1 -21.7 -17.1 16.8 88 88 A Q - 0 0 8 -51,-2.5 2,-0.6 -3,-0.4 -1,-0.2 -0.976 45.9-165.4-135.5 119.0 -22.3 -15.9 13.2 89 89 A A - 0 0 14 -2,-0.4 17,-0.8 -51,-0.2 2,-0.3 -0.928 25.9-125.6-103.1 121.3 -20.1 -16.9 10.3 90 90 A V E +D 105 0A 12 -2,-0.6 15,-0.3 15,-0.2 33,-0.1 -0.510 34.1 170.1 -68.1 125.7 -20.7 -14.8 7.1 91 91 A E E + 0 0 97 13,-3.0 2,-0.3 1,-0.3 14,-0.2 0.592 62.3 30.1-108.4 -24.2 -21.4 -17.1 4.2 92 92 A S E +D 104 0A 40 12,-1.7 12,-2.4 2,-0.0 2,-0.4 -0.995 51.8 179.5-143.6 134.1 -22.5 -14.6 1.5 93 93 A V E +D 103 0A 10 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.985 15.2 168.7-131.7 126.3 -21.7 -11.0 0.7 94 94 A E E -D 102 0A 89 8,-2.3 8,-3.2 -2,-0.4 2,-0.7 -0.992 31.9-136.1-141.1 130.6 -23.3 -9.3 -2.3 95 95 A K E -D 101 0A 73 -2,-0.4 6,-0.2 6,-0.2 5,-0.1 -0.764 32.8-142.0 -84.0 117.8 -23.4 -5.7 -3.4 96 96 A Q > - 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