==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-FEB-11 3QNS . COMPND 2 MOLECULE: DYP PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS JOSTII RHA1; . AUTHOR J.C.GRIGG,J.N.ROBERTS,R.SINGH,L.D.ELTIS,M.E.P.MURPHY . 311 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14284.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 209 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 22.5 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 . 4 1.3 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 . 21 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 22.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 2 0 1 1 3 0 0 0 1 1 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 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 . 5 3 1 0 2 1 1 1 1 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 1 0 0 0 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 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 5 A V 0 0 149 0, 0.0 10,-0.0 0, 0.0 7,-0.0 0.000 360.0 360.0 360.0 136.5 -60.8 32.7 -10.7 2 6 A A - 0 0 56 3,-0.1 2,-0.5 1,-0.1 6,-0.0 -0.204 360.0-137.6 -62.2 153.2 -57.1 32.9 -9.8 3 7 A R S S- 0 0 130 1,-0.1 53,-0.1 3,-0.0 55,-0.1 -0.970 73.0 -27.3-118.7 117.9 -54.5 34.5 -12.2 4 8 A L S S+ 0 0 11 -2,-0.5 -1,-0.1 51,-0.5 54,-0.1 0.864 94.7 143.7 49.1 44.4 -51.1 32.8 -12.8 5 9 A A > - 0 0 16 40,-0.1 3,-0.9 41,-0.0 54,-0.4 -0.965 50.1-125.4-115.6 120.5 -51.2 31.2 -9.4 6 10 A P T 3 S+ 0 0 9 0, 0.0 54,-0.2 0, 0.0 297,-0.2 -0.235 92.7 29.4 -56.2 151.1 -49.8 27.7 -8.8 7 11 A Q T 3 S+ 0 0 18 52,-1.9 2,-1.9 1,-0.2 53,-0.2 0.651 72.1 158.4 73.4 21.2 -52.1 25.1 -7.2 8 12 A A X + 0 0 16 -3,-0.9 3,-0.8 51,-0.4 -1,-0.2 -0.529 4.6 165.0 -75.6 82.6 -55.3 26.7 -8.6 9 13 A V T 3 + 0 0 7 -2,-1.9 -1,-0.2 1,-0.2 251,-0.1 0.823 62.7 64.4 -69.3 -31.9 -57.5 23.7 -8.3 10 14 A L T 3 S+ 0 0 69 -3,-0.2 146,-0.2 145,-0.0 -1,-0.2 0.300 70.1 132.6 -85.6 16.1 -60.9 25.5 -8.7 11 15 A T < - 0 0 22 -3,-0.8 3,-0.1 1,-0.1 47,-0.0 -0.281 57.9-112.8 -70.5 147.7 -60.3 26.8 -12.3 12 16 A P - 0 0 73 0, 0.0 -1,-0.1 0, 0.0 143,-0.0 -0.235 48.7 -68.9 -74.6 169.2 -63.1 26.3 -14.9 13 17 A P - 0 0 98 0, 0.0 2,-0.3 0, 0.0 228,-0.0 -0.143 54.7-154.5 -56.0 150.6 -62.9 23.9 -17.8 14 18 A S - 0 0 19 -3,-0.1 93,-0.2 227,-0.1 3,-0.1 -0.825 26.2-119.2-126.1 168.3 -60.5 24.9 -20.6 15 19 A A S S+ 0 0 53 -2,-0.3 122,-2.1 91,-0.2 2,-0.3 0.769 97.7 24.7 -76.1 -27.4 -60.1 24.3 -24.4 16 20 A A E +AB 106 136A 9 90,-1.9 90,-2.1 120,-0.2 2,-0.3 -0.973 65.0 175.5-138.0 150.9 -56.7 22.6 -23.9 17 21 A S E -AB 105 135A 3 118,-2.0 118,-1.3 -2,-0.3 2,-0.4 -0.980 17.9-150.6-148.4 164.2 -54.8 20.7 -21.2 18 22 A L E -AB 104 134A 2 86,-2.7 86,-2.9 -2,-0.3 2,-0.6 -0.988 7.3-166.3-135.5 127.5 -51.6 18.8 -20.6 19 23 A F E -AB 103 133A 0 114,-2.8 114,-2.2 -2,-0.4 2,-0.5 -0.967 13.2-178.7-112.6 113.6 -51.4 16.0 -18.0 20 24 A L E -AB 102 132A 4 82,-2.4 82,-2.5 -2,-0.6 2,-0.4 -0.966 7.6-173.5-113.8 130.6 -47.7 15.1 -17.2 21 25 A V E +AB 101 131A 4 110,-2.7 109,-3.0 -2,-0.5 110,-1.8 -0.992 12.3 179.6-122.0 130.3 -46.8 12.3 -14.8 22 26 A L E -AB 100 129A 2 78,-2.5 77,-2.7 -2,-0.4 78,-2.2 -0.911 24.7-139.6-129.3 154.6 -43.1 11.8 -13.9 23 27 A V E - B 0 128A 46 105,-2.4 105,-2.6 -2,-0.3 2,-0.3 -0.917 27.3-131.7-106.5 137.4 -41.0 9.6 -11.7 24 28 A A E - B 0 127A 3 -2,-0.4 103,-0.3 103,-0.2 7,-0.1 -0.682 24.5-104.9 -88.3 145.2 -38.1 11.2 -9.8 25 29 A G - 0 0 22 101,-2.9 -1,-0.1 -2,-0.3 9,-0.1 -0.247 26.3-119.3 -62.1 158.3 -34.6 9.9 -9.8 26 30 A D S S+ 0 0 155 4,-0.1 -1,-0.1 5,-0.0 2,-0.1 0.570 78.8 97.3 -76.6 -14.2 -33.3 8.1 -6.7 27 31 A S S > S- 0 0 53 1,-0.1 4,-2.3 99,-0.1 5,-0.1 -0.375 78.5-122.4 -83.4 159.6 -30.4 10.4 -5.8 28 32 A D H > S+ 0 0 101 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.867 115.8 54.0 -60.4 -38.5 -30.3 13.2 -3.3 29 33 A D H > S+ 0 0 126 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.908 108.6 48.7 -64.1 -41.4 -29.3 15.6 -6.2 30 34 A D H > S+ 0 0 34 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.913 110.7 50.4 -65.5 -41.9 -32.3 14.5 -8.2 31 35 A R H X S+ 0 0 81 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.918 111.5 48.7 -59.7 -44.4 -34.6 15.0 -5.2 32 36 A A H X S+ 0 0 58 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.907 110.8 50.0 -64.2 -43.6 -33.1 18.5 -4.7 33 37 A T H X S+ 0 0 52 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.939 111.2 49.0 -59.4 -49.5 -33.6 19.4 -8.3 34 38 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.944 112.6 47.6 -55.9 -49.6 -37.2 18.2 -8.3 35 39 A C H X S+ 0 0 5 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.880 110.9 52.2 -61.4 -36.8 -37.9 20.3 -5.1 36 40 A D H X S+ 0 0 117 -4,-2.4 4,-1.3 -5,-0.2 -1,-0.2 0.952 112.9 44.1 -62.4 -48.5 -36.3 23.3 -6.6 37 41 A V H < S+ 0 0 15 -4,-2.6 3,-0.2 1,-0.2 -2,-0.2 0.946 118.5 41.3 -64.1 -47.7 -38.4 23.2 -9.7 38 42 A I H >< S+ 0 0 0 -4,-2.7 3,-1.5 1,-0.2 -1,-0.2 0.904 111.7 53.3 -73.7 -37.4 -41.7 22.5 -8.1 39 43 A S H 3< S+ 0 0 22 -4,-2.4 -1,-0.2 -5,-0.3 3,-0.2 0.783 117.3 40.3 -65.6 -26.1 -41.3 24.9 -5.2 40 44 A G T >< S+ 0 0 30 -4,-1.3 3,-2.4 -5,-0.2 -1,-0.3 0.019 75.6 126.4-106.8 27.2 -40.6 27.7 -7.7 41 45 A I T <> + 0 0 2 -3,-1.5 4,-2.2 1,-0.3 5,-0.2 0.705 59.2 74.9 -64.9 -19.3 -43.2 26.6 -10.3 42 46 A D H 3> S+ 0 0 59 -3,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.801 88.0 65.7 -58.8 -27.6 -44.7 30.1 -10.3 43 47 A G H <> S+ 0 0 37 -3,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.988 108.3 32.5 -60.0 -62.5 -41.6 31.1 -12.3 44 48 A P H > S+ 0 0 27 0, 0.0 4,-2.3 0, 0.0 5,-0.4 0.888 115.7 60.0 -64.1 -35.8 -42.3 29.1 -15.5 45 49 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.928 114.1 36.0 -58.2 -44.4 -46.1 29.6 -15.0 46 50 A K H X S+ 0 0 114 -4,-2.3 4,-2.3 2,-0.2 5,-0.3 0.878 111.0 61.6 -74.2 -36.8 -45.6 33.3 -15.2 47 51 A A H < S+ 0 0 54 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.892 121.5 24.0 -57.6 -42.2 -42.9 33.1 -17.9 48 52 A V H >< S+ 0 0 2 -4,-2.3 3,-1.4 -5,-0.2 -2,-0.2 0.904 124.3 50.1 -84.7 -52.2 -45.3 31.4 -20.3 49 53 A G H >< S+ 0 0 0 -4,-2.5 3,-1.6 -5,-0.4 6,-0.3 0.782 97.7 64.3 -68.3 -29.9 -48.7 32.6 -19.0 50 54 A F T 3< S+ 0 0 142 -4,-2.3 -1,-0.3 1,-0.3 -3,-0.1 0.733 89.3 72.2 -64.4 -20.7 -48.0 36.3 -18.8 51 55 A R T < S+ 0 0 188 -3,-1.4 2,-0.5 -5,-0.3 -1,-0.3 0.592 87.9 69.4 -70.4 -11.9 -47.6 36.3 -22.6 52 56 A E S X S- 0 0 19 -3,-1.6 3,-1.6 -4,-0.2 5,-0.1 -0.946 78.7-144.4-108.1 125.6 -51.4 35.8 -23.1 53 57 A L T 3 S+ 0 0 165 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.894 98.5 55.9 -56.9 -41.0 -53.4 38.8 -22.1 54 58 A A T 3 S- 0 0 78 1,-0.1 -1,-0.3 -3,-0.1 -4,-0.1 0.666 95.5-142.1 -66.3 -19.7 -56.3 36.7 -20.7 55 59 A G < + 0 0 10 -3,-1.6 -51,-0.5 -6,-0.3 -2,-0.1 0.918 44.2 153.4 58.0 46.5 -53.9 34.8 -18.3 56 60 A S + 0 0 41 -7,-0.2 2,-0.3 -53,-0.1 -1,-0.1 0.624 30.8 110.7 -81.5 -12.5 -55.7 31.5 -18.9 57 61 A L + 0 0 3 -8,-0.2 -53,-0.5 -5,-0.1 2,-0.3 -0.457 41.7 173.7 -74.3 129.0 -52.7 29.3 -18.1 58 62 A S E -C 105 0A 12 47,-2.5 47,-2.0 -2,-0.3 2,-0.3 -0.945 13.5-167.3-129.7 157.1 -52.9 27.3 -14.9 59 63 A C E -C 104 0A 0 -54,-0.4 -52,-1.9 -2,-0.3 2,-0.5 -0.929 1.5-170.9-148.2 117.1 -50.6 24.6 -13.4 60 64 A V E -C 103 0A 3 43,-2.4 43,-2.7 -2,-0.3 2,-0.5 -0.946 12.9-152.9-109.4 126.4 -51.4 22.3 -10.4 61 65 A V E -C 102 0A 0 -2,-0.5 2,-0.4 41,-0.2 41,-0.2 -0.861 9.7-168.7-100.5 126.9 -48.5 20.3 -9.0 62 66 A G E -C 101 0A 0 39,-2.5 39,-2.3 -2,-0.5 2,-0.4 -0.895 6.0-154.8-111.0 148.5 -49.3 16.9 -7.3 63 67 A V E -CD 100 299A 0 236,-2.8 236,-3.2 -2,-0.4 37,-0.2 -0.987 16.7-126.4-126.2 127.6 -46.8 14.9 -5.3 64 68 A G > - 0 0 3 35,-2.7 4,-2.7 -2,-0.4 5,-0.2 -0.290 23.9-112.9 -70.2 157.6 -47.0 11.1 -4.8 65 69 A A H > S+ 0 0 6 232,-0.4 4,-2.1 1,-0.2 5,-0.1 0.891 114.4 50.1 -58.8 -42.8 -46.9 9.5 -1.3 66 70 A Q H > S+ 0 0 144 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.935 114.2 43.2 -66.5 -43.5 -43.6 7.8 -1.8 67 71 A F H >> S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 3,-0.7 0.904 109.4 58.9 -68.9 -38.4 -41.8 11.0 -3.0 68 72 A W H >X S+ 0 0 1 -4,-2.7 4,-2.7 1,-0.3 3,-0.7 0.922 102.7 53.3 -52.1 -46.1 -43.5 13.0 -0.3 69 73 A D H 3< S+ 0 0 75 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.771 105.6 54.9 -63.9 -26.7 -41.9 10.7 2.3 70 74 A R H << S+ 0 0 66 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.807 121.2 27.7 -71.5 -31.2 -38.5 11.4 0.7 71 75 A V H << S+ 0 0 27 -4,-1.4 239,-0.4 -3,-0.7 -2,-0.2 0.629 131.7 29.2-109.8 -18.2 -38.9 15.2 1.1 72 76 A S >< + 0 0 23 -4,-2.7 3,-1.1 -5,-0.2 -1,-0.2 -0.484 65.7 159.1-145.1 64.4 -41.2 15.9 4.0 73 77 A A T 3 S+ 0 0 88 1,-0.2 3,-0.1 -3,-0.2 -1,-0.1 0.729 73.7 45.2 -64.4 -26.2 -40.6 12.9 6.3 74 78 A S T 3 S+ 0 0 127 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.351 112.7 45.1-105.3 7.2 -41.9 14.6 9.5 75 79 A S < + 0 0 48 -3,-1.1 -1,-0.2 -6,-0.0 0, 0.0 -0.916 64.4 163.8-153.1 120.8 -45.0 16.2 8.2 76 80 A K - 0 0 83 -2,-0.3 95,-0.1 -3,-0.1 96,-0.1 -1.000 41.0-103.0-144.6 138.0 -47.6 14.5 6.0 77 81 A P > - 0 0 4 0, 0.0 3,-1.4 0, 0.0 92,-0.0 -0.280 42.6-111.5 -55.7 148.4 -51.3 15.1 5.0 78 82 A A T 3 S+ 0 0 60 1,-0.3 185,-0.0 91,-0.0 91,-0.0 0.689 108.1 31.5 -59.4 -28.2 -53.7 12.8 6.9 79 83 A H T 3 S+ 0 0 84 2,-0.0 2,-0.6 0, 0.0 -1,-0.3 0.085 78.7 133.5-125.7 25.3 -54.8 10.7 3.9 80 84 A L < + 0 0 9 -3,-1.4 -16,-0.0 -15,-0.1 219,-0.0 -0.678 24.7 129.9 -83.0 120.3 -51.8 10.5 1.6 81 85 A H - 0 0 58 -2,-0.6 -16,-0.2 3,-0.0 3,-0.1 -0.953 61.7 -78.0-155.7 162.6 -51.0 7.0 0.3 82 86 A P - 0 0 73 0, 0.0 216,-0.1 0, 0.0 214,-0.1 -0.370 65.4 -79.9 -65.1 152.0 -50.4 5.4 -3.1 83 87 A F - 0 0 10 214,-0.2 212,-0.0 13,-0.2 12,-0.0 -0.245 46.4-128.5 -49.9 130.6 -53.4 4.7 -5.3 84 88 A V - 0 0 80 -3,-0.1 -1,-0.1 10,-0.1 9,-0.0 -0.764 23.3-130.7 -87.5 116.7 -55.1 1.4 -4.1 85 89 A P - 0 0 80 0, 0.0 2,-0.4 0, 0.0 10,-0.0 -0.328 17.7-146.1 -68.7 148.8 -55.6 -0.9 -7.0 86 90 A L E -K 93 0B 22 7,-2.2 7,-2.4 185,-0.0 2,-0.6 -0.969 11.3-164.8-118.0 137.9 -59.0 -2.5 -7.5 87 91 A S E -K 92 0B 98 -2,-0.4 5,-0.2 5,-0.2 4,-0.0 -0.890 20.7-174.7-119.3 93.9 -59.7 -6.0 -8.9 88 92 A G - 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