==== 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 07-JAN-12 3VEG . COMPND 2 MOLECULE: DYPB; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS JOSTII; . AUTHOR J.C.GRIGG,R.SINGH,Z.ARMSTRONG,L.D.ELTIS,M.E.P.MURPHY . 927 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38159.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 620 66.9 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 . 209 22.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 63 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 102 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 202 21.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 3 3 3 5 7 0 0 0 5 1 0 3 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 . 16 8 3 0 6 3 3 3 3 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 . 5 3 0 0 0 0 0 0 0 3 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 6 A A 0 0 94 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 104.1 -46.2 -9.9 7.3 2 7 A R - 0 0 51 1,-0.2 53,-0.1 55,-0.0 55,-0.1 -0.735 360.0 -31.9 -87.3 120.1 -43.6 -7.1 8.0 3 8 A L S S+ 0 0 4 -2,-0.5 -1,-0.2 51,-0.5 54,-0.1 0.775 93.1 141.2 42.5 41.6 -43.6 -4.0 5.7 4 9 A A > - 0 0 3 -3,-0.3 3,-0.6 40,-0.1 54,-0.4 -0.949 54.5-116.6-108.2 131.3 -44.6 -6.0 2.6 5 10 A P T 3 S+ 0 0 3 0, 0.0 54,-0.2 0, 0.0 297,-0.2 -0.249 96.1 29.4 -55.6 154.5 -47.1 -4.4 0.2 6 11 A Q T 3 + 0 0 12 52,-1.7 2,-1.5 1,-0.2 53,-0.2 0.811 69.6 161.0 64.3 30.6 -50.6 -6.1 -0.2 7 12 A A X + 0 0 7 -3,-0.6 3,-0.6 51,-0.4 -1,-0.2 -0.723 6.9 169.4 -80.3 89.0 -50.6 -7.5 3.3 8 13 A V T 3 + 0 0 6 -2,-1.5 -1,-0.2 1,-0.2 2,-0.1 0.780 64.2 60.9 -76.6 -29.7 -54.3 -8.1 3.3 9 14 A L T 3 S+ 0 0 76 -3,-0.2 -1,-0.2 145,-0.0 146,-0.1 -0.062 70.7 140.0 -95.7 36.1 -54.4 -10.1 6.5 10 15 A T < - 0 0 29 -3,-0.6 3,-0.1 1,-0.1 47,-0.0 -0.454 53.6-113.4 -78.6 147.8 -53.1 -7.5 8.9 11 16 A P - 0 0 101 0, 0.0 -1,-0.1 0, 0.0 229,-0.0 -0.124 49.7 -69.5 -69.4 177.8 -54.7 -7.2 12.4 12 17 A P - 0 0 108 0, 0.0 2,-0.3 0, 0.0 228,-0.0 -0.279 53.0-152.1 -63.7 155.9 -56.6 -4.1 13.4 13 18 A S - 0 0 18 -3,-0.1 93,-0.2 1,-0.1 3,-0.1 -0.896 26.0-123.1-128.7 161.0 -54.8 -0.9 14.0 14 19 A A S S+ 0 0 53 -2,-0.3 122,-1.9 1,-0.1 2,-0.3 0.738 97.8 23.4 -67.3 -26.8 -55.2 2.2 16.1 15 20 A A E +AB 105 135A 11 90,-1.6 90,-1.9 120,-0.2 2,-0.3 -0.986 63.8 175.2-143.2 150.3 -55.1 4.4 13.0 16 21 A S E -AB 104 134A 4 118,-2.2 118,-1.2 -2,-0.3 2,-0.4 -0.975 17.3-148.4-148.8 169.4 -55.7 4.2 9.2 17 22 A L E -AB 103 133A 1 86,-2.6 86,-3.1 -2,-0.3 2,-0.6 -0.992 7.5-165.8-140.1 125.0 -55.8 6.2 6.0 18 23 A F E -AB 102 132A 0 114,-2.5 114,-2.2 -2,-0.4 2,-0.5 -0.968 11.9-177.8-113.9 115.6 -58.1 5.4 3.1 19 24 A L E -AB 101 131A 0 82,-2.4 82,-2.4 -2,-0.6 2,-0.5 -0.973 7.1-170.8-118.2 120.7 -57.1 7.3 -0.0 20 25 A V E -AB 100 130A 3 110,-2.9 109,-3.4 -2,-0.5 110,-1.8 -0.947 13.3-178.3-109.0 128.7 -59.1 7.0 -3.3 21 26 A L E -AB 99 128A 3 78,-2.6 77,-3.1 -2,-0.5 78,-2.7 -0.949 23.7-145.0-128.8 146.8 -57.6 8.5 -6.4 22 27 A V E - B 0 127A 45 105,-2.5 105,-2.4 -2,-0.3 2,-0.1 -0.954 26.2-135.0-104.9 127.6 -58.6 8.9 -10.1 23 28 A A E - B 0 126A 6 -2,-0.5 103,-0.3 103,-0.2 7,-0.1 -0.479 25.0-103.9 -77.5 151.6 -55.7 8.7 -12.6 24 29 A G - 0 0 19 101,-2.5 -1,-0.1 -2,-0.1 6,-0.1 -0.275 25.1-113.1 -71.8 161.6 -55.3 11.2 -15.5 25 30 A D S S+ 0 0 153 4,-0.1 -1,-0.1 5,-0.0 -2,-0.0 0.827 81.3 94.6 -59.8 -41.0 -56.2 10.6 -19.2 26 31 A S S > S- 0 0 54 1,-0.1 4,-2.0 3,-0.0 5,-0.1 -0.009 79.2-122.4 -68.2 158.9 -52.6 10.7 -20.7 27 32 A D H > S+ 0 0 114 2,-0.2 4,-1.4 1,-0.2 -1,-0.1 0.814 116.2 53.2 -64.2 -33.0 -50.2 7.9 -21.4 28 33 A D H > S+ 0 0 125 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.917 105.6 51.5 -67.6 -46.8 -47.7 9.7 -19.1 29 34 A D H > S+ 0 0 33 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.925 110.8 50.3 -54.5 -45.7 -50.2 9.9 -16.2 30 35 A R H X S+ 0 0 68 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.838 110.9 48.3 -60.4 -38.0 -50.7 6.1 -16.6 31 36 A A H X S+ 0 0 55 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.891 111.2 48.8 -73.3 -41.9 -47.0 5.4 -16.6 32 37 A T H X S+ 0 0 55 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.959 112.1 49.4 -59.4 -50.9 -46.3 7.5 -13.5 33 38 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.928 113.9 46.1 -55.4 -48.4 -49.2 5.8 -11.7 34 39 A C H X S+ 0 0 14 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.877 111.5 51.5 -64.6 -38.2 -47.8 2.4 -12.7 35 40 A D H X S+ 0 0 121 -4,-2.7 4,-1.3 2,-0.2 -2,-0.2 0.938 113.5 45.5 -62.9 -44.1 -44.3 3.4 -11.7 36 41 A V H < S+ 0 0 18 -4,-3.1 3,-0.2 1,-0.2 -2,-0.2 0.949 117.0 41.1 -65.1 -52.3 -45.5 4.5 -8.3 37 42 A I H >< S+ 0 0 0 -4,-2.7 3,-1.2 1,-0.2 -1,-0.2 0.849 112.3 54.4 -70.6 -33.4 -47.7 1.6 -7.4 38 43 A S H 3< S+ 0 0 22 -4,-2.2 3,-0.3 -5,-0.3 -1,-0.2 0.809 115.5 40.7 -70.5 -27.1 -45.3 -1.1 -8.8 39 44 A G T >< S+ 0 0 34 -4,-1.3 3,-2.3 -3,-0.2 -1,-0.3 0.064 77.2 126.9-102.2 25.4 -42.6 0.3 -6.6 40 45 A I T <> + 0 0 1 -3,-1.2 4,-2.0 1,-0.3 -1,-0.2 0.683 59.4 72.2 -60.7 -19.1 -44.8 0.9 -3.5 41 46 A D H 3> S+ 0 0 43 -3,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.732 89.6 64.9 -72.0 -16.8 -42.5 -1.1 -1.3 42 47 A G H <> S+ 0 0 18 -3,-2.3 4,-3.2 2,-0.2 5,-0.2 0.997 107.9 34.0 -63.6 -69.4 -40.1 1.9 -1.5 43 48 A P H > S+ 0 0 29 0, 0.0 4,-2.3 0, 0.0 5,-0.4 0.935 117.2 59.6 -50.1 -45.8 -42.2 4.5 0.3 44 49 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.888 114.3 33.4 -52.4 -47.9 -43.6 1.7 2.5 45 50 A K H X S+ 0 0 9 -4,-2.0 4,-2.3 2,-0.2 5,-0.3 0.868 111.1 65.1 -77.0 -35.1 -40.2 0.8 3.9 46 51 A A H < S+ 0 0 1 -4,-3.2 -2,-0.2 -5,-0.2 -1,-0.2 0.835 120.9 20.8 -57.1 -37.0 -38.9 4.4 3.7 47 52 A V H >< S+ 0 0 0 -4,-2.3 3,-1.5 -5,-0.2 4,-0.3 0.858 122.4 55.7 -95.0 -42.0 -41.5 5.3 6.4 48 53 A G H >< S+ 0 0 0 -4,-2.5 3,-1.5 -5,-0.4 6,-0.3 0.805 98.5 60.5 -66.3 -34.2 -42.3 2.0 8.0 49 54 A F T 3< S+ 0 0 17 -4,-2.3 -1,-0.3 1,-0.2 -3,-0.1 0.755 90.8 72.0 -63.3 -22.1 -38.7 1.1 8.9 50 55 A R T < S+ 0 0 4 -3,-1.5 2,-0.5 -5,-0.3 -1,-0.2 0.676 88.4 71.7 -69.9 -16.7 -38.6 4.3 11.1 51 56 A E S X S- 0 0 14 -3,-1.5 3,-0.9 -4,-0.3 5,-0.1 -0.901 76.0-147.5-102.5 123.0 -40.9 2.7 13.6 52 57 A L T 3 S+ 0 0 65 -2,-0.5 -1,-0.2 1,-0.2 707,-0.0 0.929 97.8 53.1 -51.7 -53.0 -39.4 -0.1 15.7 53 58 A A T 3 S- 0 0 79 1,-0.1 -1,-0.2 578,-0.1 -4,-0.1 0.692 95.8-143.3 -57.0 -25.3 -42.7 -2.2 15.9 54 59 A G < + 0 0 12 -3,-0.9 -51,-0.5 -6,-0.3 -2,-0.1 0.883 44.8 151.1 60.1 44.1 -43.1 -2.1 12.1 55 60 A S + 0 0 43 -7,-0.1 2,-0.2 -53,-0.1 -1,-0.1 0.628 30.4 114.1 -80.1 -15.5 -46.9 -1.7 12.3 56 61 A L + 0 0 3 -8,-0.2 -53,-0.5 -5,-0.1 2,-0.3 -0.344 38.4 169.8 -67.0 129.1 -47.2 0.1 9.0 57 62 A S E -C 104 0A 9 47,-2.8 47,-2.0 -2,-0.2 2,-0.3 -0.958 15.0-167.8-135.4 155.6 -49.0 -1.6 6.1 58 63 A C E -C 103 0A 0 -54,-0.4 -52,-1.7 -2,-0.3 2,-0.5 -0.953 1.4-167.9-145.2 121.0 -50.2 -0.4 2.8 59 64 A V E -C 102 0A 2 43,-2.4 43,-2.7 -2,-0.3 2,-0.5 -0.966 13.0-149.8-110.6 128.8 -52.6 -2.3 0.4 60 65 A V E -C 101 0A 0 -2,-0.5 2,-0.4 41,-0.2 41,-0.2 -0.843 11.5-169.4 -97.6 129.4 -53.0 -1.1 -3.2 61 66 A G E -C 100 0A 0 39,-2.5 39,-2.2 -2,-0.5 2,-0.4 -0.915 5.9-155.8-114.6 145.1 -56.2 -1.5 -5.0 62 67 A V E -CD 99 298A 0 236,-2.7 236,-3.0 -2,-0.4 37,-0.2 -0.981 16.1-128.4-122.7 129.9 -56.8 -0.9 -8.7 63 68 A G > - 0 0 3 35,-2.5 4,-2.4 -2,-0.4 234,-0.2 -0.283 24.8-110.8 -70.9 159.3 -60.2 -0.1 -10.3 64 69 A A H > S+ 0 0 6 232,-0.4 4,-2.2 1,-0.2 5,-0.1 0.903 114.9 47.9 -56.0 -49.2 -61.6 -2.1 -13.3 65 70 A Q H > S+ 0 0 145 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.931 113.4 46.4 -60.0 -47.7 -61.3 0.8 -15.8 66 71 A F H > S+ 0 0 1 1,-0.2 4,-0.9 2,-0.2 3,-0.4 0.890 109.7 54.6 -65.5 -37.9 -57.8 1.7 -14.8 67 72 A W H >X S+ 0 0 2 -4,-2.4 4,-2.7 1,-0.2 3,-1.6 0.949 104.3 54.1 -58.1 -49.4 -56.8 -2.0 -15.0 68 73 A D H 3< S+ 0 0 75 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.759 105.1 56.3 -55.8 -29.2 -58.1 -2.3 -18.6 69 74 A R H 3< S+ 0 0 69 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.757 119.7 28.9 -70.0 -27.3 -55.9 0.7 -19.4 70 75 A V H << S+ 0 0 39 -3,-1.6 -2,-0.2 -4,-0.9 -3,-0.1 0.659 132.9 24.3-111.1 -19.2 -52.7 -1.1 -18.2 71 76 A S < + 0 0 20 -4,-2.7 3,-0.4 -5,-0.1 -1,-0.2 -0.506 57.8 152.0-151.6 68.7 -53.4 -4.8 -18.7 72 77 A A S S+ 0 0 86 1,-0.2 3,-0.1 -4,-0.2 -4,-0.1 0.727 72.1 67.4 -71.9 -21.4 -56.0 -5.5 -21.5 73 78 A S S S+ 0 0 120 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.775 111.3 20.8 -73.8 -30.3 -54.4 -8.9 -22.2 74 79 A S - 0 0 49 -3,-0.4 -1,-0.2 -6,-0.0 -3,-0.0 -0.996 64.4-174.6-145.7 146.1 -55.4 -10.5 -18.8 75 80 A K - 0 0 80 -2,-0.3 95,-0.1 -3,-0.1 2,-0.1 -0.985 33.8-107.0-138.6 134.7 -58.0 -9.7 -16.2 76 81 A P > - 0 0 2 0, 0.0 3,-1.6 0, 0.0 92,-0.0 -0.426 43.7-110.6 -59.7 143.8 -58.8 -11.1 -12.7 77 82 A A T 3 S+ 0 0 62 1,-0.3 185,-0.0 -2,-0.1 91,-0.0 0.717 109.7 33.5 -53.3 -29.6 -62.0 -13.2 -13.0 78 83 A H T 3 S+ 0 0 61 2,-0.0 2,-0.7 0, 0.0 -1,-0.3 0.260 78.6 131.2-118.4 15.0 -64.2 -10.8 -11.0 79 84 A L < + 0 0 7 -3,-1.6 219,-0.0 -15,-0.1 -16,-0.0 -0.586 25.8 126.8 -77.8 113.4 -63.0 -7.3 -11.8 80 85 A H - 0 0 60 -2,-0.7 -16,-0.2 217,-0.0 3,-0.1 -0.952 63.4 -78.2-150.0 163.2 -65.8 -4.9 -12.8 81 86 A P - 0 0 72 0, 0.0 2,-0.1 0, 0.0 214,-0.1 -0.212 63.4 -81.2 -61.4 160.3 -66.9 -1.5 -11.5 82 87 A F - 0 0 10 214,-0.2 12,-0.0 13,-0.2 212,-0.0 -0.438 48.1-125.4 -59.1 133.3 -68.9 -1.3 -8.3 83 88 A V - 0 0 63 -2,-0.1 -1,-0.1 -3,-0.1 9,-0.1 -0.726 20.8-129.4 -89.1 121.8 -72.6 -2.1 -9.0 84 89 A P - 0 0 79 0, 0.0 2,-0.4 0, 0.0 -1,-0.0 -0.344 18.8-148.8 -69.7 150.3 -75.0 0.6 -7.8 85 90 A L E -K 92 0B 10 7,-2.1 7,-2.0 185,-0.0 2,-0.5 -0.968 13.0-171.7-121.3 136.4 -78.0 -0.5 -5.7 86 91 A S E +K 91 0B 102 -2,-0.4 5,-0.2 5,-0.2 189,-0.0 -0.938 19.0 176.8-125.9 104.6 -81.4 1.1 -5.7 87 92 A G - 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