==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 07-JUL-10 3AK4 . COMPND 2 MOLECULE: NADH-DEPENDENT QUINUCLIDINONE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS; . AUTHOR T.MIYAKAWA,M.KATAOKA,D.TAKESHITA,F.NOMOTO,K.NAGATA,S.SHIMIZU . 1032 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33488.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 787 76.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 137 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 48 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 110 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 413 40.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 33 3.2 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 0 0 0 4 4 3 8 0 4 4 2 1 0 0 0 4 0 0 0 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 15 9 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 4 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 3 A G > 0 0 91 0, 0.0 3,-1.0 0, 0.0 288,-0.0 0.000 360.0 360.0 360.0 155.0 -40.4 9.8 32.9 2 4 A I T 3 + 0 0 47 1,-0.2 238,-0.8 237,-0.1 237,-0.5 0.615 360.0 56.5 -74.8 -12.0 -42.3 9.5 29.6 3 5 A F T 3 S+ 0 0 28 236,-0.2 2,-0.2 235,-0.1 -1,-0.2 0.420 83.6 114.6 -91.7 -0.1 -39.0 8.7 27.9 4 6 A D < - 0 0 71 -3,-1.0 235,-0.3 1,-0.1 27,-0.2 -0.498 40.0-178.9 -77.8 131.2 -38.3 5.7 30.1 5 7 A L > + 0 0 2 25,-2.6 3,-2.1 -2,-0.2 26,-0.2 0.114 29.4 151.9-111.0 18.8 -38.2 2.2 28.7 6 8 A S T 3 + 0 0 72 24,-0.4 26,-0.2 1,-0.3 3,-0.1 -0.248 69.0 11.9 -54.1 131.1 -37.5 0.4 32.1 7 9 A G T 3 S+ 0 0 53 24,-1.2 -1,-0.3 1,-0.3 2,-0.2 0.380 97.1 129.7 84.6 -2.1 -38.9 -3.1 32.2 8 10 A R < - 0 0 56 -3,-2.1 25,-2.5 23,-0.2 2,-0.5 -0.614 52.0-136.4 -93.4 149.9 -39.6 -3.3 28.5 9 11 A K E -a 33 0A 51 -2,-0.2 74,-3.1 23,-0.2 75,-1.9 -0.915 25.7-174.2-113.1 118.9 -38.5 -6.2 26.2 10 12 A A E -ab 34 84A 0 23,-2.6 25,-2.8 -2,-0.5 2,-0.4 -0.861 19.0-157.8-118.6 144.1 -37.1 -5.4 22.8 11 13 A I E -ab 35 85A 1 73,-2.8 75,-3.1 -2,-0.3 2,-0.5 -0.985 10.1-167.7-114.7 129.7 -35.9 -7.2 19.6 12 14 A V E > -ab 36 86A 0 23,-2.7 25,-2.3 -2,-0.4 3,-0.8 -0.955 6.4-157.5-113.2 112.8 -33.5 -5.5 17.3 13 15 A T E 3 S+ab 37 87A 6 73,-2.3 75,-1.6 -2,-0.5 76,-0.2 -0.723 84.6 19.3 -81.9 139.3 -33.0 -7.1 13.8 14 16 A G T > S+ 0 0 9 23,-2.3 3,-0.5 -2,-0.4 6,-0.4 0.767 84.0 138.5 74.4 27.5 -29.6 -6.1 12.3 15 17 A G T < + 0 0 0 -3,-0.8 9,-0.1 22,-0.5 23,-0.1 0.320 37.2 93.1 -88.8 6.0 -28.3 -5.0 15.7 16 18 A S T 3 S- 0 0 6 21,-0.1 2,-0.3 1,-0.1 -1,-0.2 0.768 95.0 -4.6 -70.2 -28.7 -24.7 -6.4 15.3 17 19 A K S X> S+ 0 0 115 -3,-0.5 4,-1.4 30,-0.0 3,-0.8 -0.930 105.8 8.0-155.3 171.8 -23.0 -3.3 13.9 18 20 A G H 3> S- 0 0 31 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 -0.119 123.6 -2.5 54.2-130.8 -23.4 0.3 12.7 19 21 A I H 3> S+ 0 0 27 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.908 136.2 52.2 -59.3 -45.2 -26.9 1.9 13.2 20 22 A G H <> S+ 0 0 0 -3,-0.8 4,-2.4 -6,-0.4 -5,-0.2 0.876 108.7 50.6 -61.1 -42.1 -28.5 -1.3 14.7 21 23 A A H X S+ 0 0 12 -4,-1.4 4,-2.2 -7,-0.2 -1,-0.2 0.927 111.3 48.8 -63.2 -43.5 -25.7 -1.6 17.3 22 24 A A H X S+ 0 0 11 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.886 110.2 51.9 -60.0 -41.8 -26.2 2.0 18.3 23 25 A I H X S+ 0 0 2 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.915 108.9 49.7 -60.1 -47.2 -30.0 1.4 18.5 24 26 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.924 112.6 47.4 -61.2 -45.9 -29.5 -1.7 20.8 25 27 A R H X S+ 0 0 118 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.864 112.7 48.6 -60.9 -40.0 -27.2 0.3 23.1 26 28 A A H X S+ 0 0 14 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.878 110.7 49.6 -70.5 -41.2 -29.6 3.4 23.3 27 29 A L H <>S+ 0 0 0 -4,-2.4 5,-2.3 2,-0.2 4,-0.3 0.933 112.9 48.3 -57.9 -49.8 -32.7 1.2 24.1 28 30 A D H ><5S+ 0 0 12 -4,-2.1 3,-1.6 -5,-0.2 -2,-0.2 0.905 109.4 52.3 -54.3 -47.5 -30.7 -0.5 26.9 29 31 A K H 3<5S+ 0 0 158 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.823 106.2 54.8 -60.6 -31.0 -29.5 2.9 28.2 30 32 A A T 3<5S- 0 0 21 -4,-1.4 -25,-2.6 -3,-0.1 -24,-0.4 0.493 132.7 -90.6 -84.6 -3.7 -33.1 4.0 28.3 31 33 A G T < 5S+ 0 0 14 -3,-1.6 -24,-1.2 1,-0.3 -3,-0.2 0.341 81.6 130.9 117.0 -7.3 -34.0 0.9 30.5 32 34 A A < - 0 0 0 -5,-2.3 2,-0.5 -26,-0.2 -1,-0.3 -0.423 55.0-129.3 -75.1 151.6 -34.9 -1.9 28.1 33 35 A T E -a 9 0A 25 -25,-2.5 -23,-2.6 -28,-0.2 2,-0.5 -0.918 36.4-152.0 -91.8 129.5 -33.7 -5.4 28.0 34 36 A V E -a 10 0A 0 -2,-0.5 22,-1.2 20,-0.4 2,-0.4 -0.884 21.3-166.8-120.8 127.3 -32.6 -6.1 24.4 35 37 A A E -ac 11 56A 0 -25,-2.8 -23,-2.7 -2,-0.5 2,-0.5 -0.919 16.8-151.6 -99.5 134.9 -32.3 -9.2 22.2 36 38 A I E -ac 12 57A 0 20,-2.4 22,-2.8 -2,-0.4 2,-0.6 -0.949 8.3-168.7-108.4 120.7 -30.3 -8.8 19.0 37 39 A A E +ac 13 58A 2 -25,-2.3 -23,-2.3 -2,-0.5 -22,-0.5 -0.953 27.0 148.2-108.5 120.8 -31.2 -11.0 15.9 38 40 A D E - c 0 59A 18 20,-1.9 22,-1.6 -2,-0.6 3,-0.1 -0.975 60.0-119.9-151.8 154.6 -28.5 -10.8 13.2 39 41 A L S S+ 0 0 119 -2,-0.3 2,-0.9 20,-0.2 -1,-0.1 0.787 112.1 58.4 -62.8 -31.9 -26.8 -12.7 10.4 40 42 A D > + 0 0 50 1,-0.2 4,-1.8 2,-0.1 -1,-0.2 -0.823 64.8 169.9-104.3 90.9 -23.5 -12.2 12.3 41 43 A V H > S+ 0 0 46 -2,-0.9 4,-2.5 2,-0.2 -1,-0.2 0.800 72.7 62.1 -75.3 -31.5 -24.2 -13.8 15.7 42 44 A M H > S+ 0 0 156 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.954 109.9 41.3 -54.5 -53.6 -20.6 -13.5 16.9 43 45 A A H > S+ 0 0 25 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.899 113.7 53.6 -61.8 -43.1 -20.8 -9.7 16.6 44 46 A A H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.870 106.5 52.4 -58.3 -40.3 -24.3 -9.7 18.1 45 47 A Q H X S+ 0 0 99 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.893 107.5 52.0 -65.1 -40.8 -23.1 -11.7 21.1 46 48 A A H X S+ 0 0 70 -4,-1.6 4,-1.0 2,-0.2 -2,-0.2 0.906 111.7 46.1 -61.1 -47.1 -20.3 -9.1 21.7 47 49 A V H >< S+ 0 0 9 -4,-2.1 3,-0.8 1,-0.2 4,-0.3 0.956 113.0 49.2 -58.4 -50.5 -22.7 -6.2 21.7 48 50 A V H >< S+ 0 0 9 -4,-2.6 3,-1.9 1,-0.2 -2,-0.2 0.893 103.0 62.0 -58.2 -40.8 -25.2 -8.0 24.0 49 51 A A H 3< S+ 0 0 78 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.818 104.2 49.1 -55.8 -36.0 -22.4 -8.9 26.5 50 52 A G T << S+ 0 0 57 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.418 86.0 112.8 -86.7 2.6 -21.8 -5.2 27.1 51 53 A L X - 0 0 15 -3,-1.9 3,-0.6 -4,-0.3 -26,-0.1 -0.494 64.5-137.8 -77.9 145.8 -25.4 -4.2 27.7 52 54 A E T 3 S+ 0 0 156 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 0.869 95.5 46.6 -68.2 -37.9 -26.5 -3.0 31.3 53 55 A N T 3 S- 0 0 61 -21,-0.3 2,-0.2 1,-0.3 -1,-0.2 0.144 109.9-105.4-101.8 21.0 -29.8 -4.9 31.5 54 56 A G < + 0 0 41 -3,-0.6 -20,-0.4 -6,-0.2 -1,-0.3 -0.638 48.6 173.1 90.8-153.9 -28.9 -8.4 30.3 55 57 A G - 0 0 33 -2,-0.2 2,-0.3 -22,-0.1 -20,-0.3 -0.721 24.2-106.0 134.1 179.1 -30.0 -9.5 26.9 56 58 A F E -c 35 0A 53 -22,-1.2 -20,-2.4 -2,-0.2 2,-0.5 -1.000 11.0-148.6-149.3 135.2 -29.8 -12.2 24.3 57 59 A A E +c 36 0A 7 -2,-0.3 2,-0.3 -22,-0.2 -20,-0.2 -0.942 22.0 176.8-108.5 128.2 -28.1 -12.8 20.9 58 60 A V E -c 37 0A 2 -22,-2.8 -20,-1.9 -2,-0.5 2,-0.3 -0.978 30.0-119.0-130.2 143.9 -29.8 -15.0 18.2 59 61 A E E +c 38 0A 134 -2,-0.3 2,-0.3 -22,-0.2 -20,-0.2 -0.615 41.6 166.4 -76.9 132.0 -28.8 -15.9 14.6 60 62 A V - 0 0 8 -22,-1.6 2,-0.5 -2,-0.3 8,-0.1 -0.993 34.0-158.2-143.9 148.7 -31.4 -14.8 12.0 61 63 A D > - 0 0 43 -2,-0.3 3,-1.8 3,-0.3 7,-0.4 -0.950 14.6-162.0-118.7 106.4 -31.6 -14.4 8.2 62 64 A V T 3 S+ 0 0 10 -2,-0.5 56,-0.2 1,-0.3 57,-0.2 0.612 82.7 72.0 -66.7 -13.8 -34.5 -11.9 7.8 63 65 A T T 3 S+ 0 0 31 1,-0.1 2,-0.5 55,-0.1 -1,-0.3 0.645 93.0 65.4 -71.5 -14.8 -34.9 -12.9 4.1 64 66 A K <> - 0 0 118 -3,-1.8 4,-2.2 1,-0.1 3,-0.5 -0.944 69.1-150.8-121.3 120.4 -36.4 -16.3 5.2 65 67 A R H > S+ 0 0 50 -2,-0.5 4,-2.7 1,-0.2 5,-0.2 0.833 98.8 53.3 -53.3 -41.6 -39.8 -16.7 7.0 66 68 A A H > S+ 0 0 81 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.878 110.8 48.3 -65.7 -36.0 -38.7 -20.0 8.9 67 69 A S H > S+ 0 0 34 -3,-0.5 4,-2.8 -6,-0.2 5,-0.3 0.955 113.5 45.0 -66.5 -51.0 -35.6 -18.2 10.2 68 70 A V H X S+ 0 0 2 -4,-2.2 4,-2.3 -7,-0.4 5,-0.2 0.900 113.1 51.1 -57.8 -48.9 -37.5 -15.1 11.4 69 71 A D H X S+ 0 0 64 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.953 115.3 41.9 -54.2 -51.9 -40.2 -17.2 13.0 70 72 A A H X S+ 0 0 64 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.915 115.9 47.4 -67.5 -43.5 -37.7 -19.4 14.9 71 73 A A H X S+ 0 0 5 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.888 111.6 51.2 -67.0 -39.0 -35.4 -16.6 16.0 72 74 A M H X S+ 0 0 4 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.923 111.1 47.0 -64.6 -44.0 -38.3 -14.4 17.2 73 75 A Q H X S+ 0 0 83 -4,-2.0 4,-2.7 -5,-0.2 -2,-0.2 0.914 112.2 50.8 -60.4 -45.8 -39.7 -17.2 19.3 74 76 A K H X S+ 0 0 116 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.934 112.9 45.8 -58.7 -49.9 -36.3 -18.0 20.8 75 77 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 6,-0.2 0.901 113.7 48.5 -56.8 -48.1 -35.7 -14.3 21.7 76 78 A I H X>S+ 0 0 20 -4,-2.5 4,-1.7 2,-0.2 5,-1.2 0.931 111.1 50.7 -60.1 -45.7 -39.2 -13.9 23.2 77 79 A D H <5S+ 0 0 110 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.910 113.6 45.3 -58.0 -48.5 -38.8 -17.1 25.3 78 80 A A H <5S+ 0 0 60 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.893 114.8 47.2 -61.4 -44.5 -35.4 -15.8 26.6 79 81 A L H <5S- 0 0 20 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.728 100.5-133.3 -67.6 -25.3 -36.8 -12.2 27.4 80 82 A G T <5S+ 0 0 72 -4,-1.7 2,-0.3 -5,-0.2 -3,-0.2 0.689 79.1 17.5 73.0 20.6 -39.9 -13.6 29.1 81 83 A G < - 0 0 24 -5,-1.2 2,-0.3 -6,-0.2 -2,-0.2 -0.952 68.5-128.7 164.9 178.3 -41.9 -11.1 27.1 82 84 A F + 0 0 12 -2,-0.3 -72,-0.2 1,-0.1 3,-0.1 -0.798 32.7 146.8-166.0 112.6 -42.0 -8.8 24.1 83 85 A D + 0 0 50 -74,-3.1 52,-1.6 -2,-0.3 2,-0.4 0.611 65.3 37.3-118.1 -25.3 -43.0 -5.1 23.8 84 86 A L E -bd 10 135A 10 -75,-1.9 -73,-2.8 50,-0.2 2,-0.5 -0.993 49.7-167.8-147.8 131.4 -40.8 -3.5 21.0 85 87 A L E -bd 11 136A 0 50,-2.6 52,-2.4 -2,-0.4 2,-0.6 -0.983 1.1-172.5-121.7 125.8 -39.4 -4.4 17.6 86 88 A C E -bd 12 137A 1 -75,-3.1 -73,-2.3 -2,-0.5 2,-1.0 -0.962 10.8-163.9-109.5 104.9 -36.8 -2.3 15.8 87 89 A A E +bd 13 138A 1 50,-1.5 52,-2.4 -2,-0.6 -73,-0.1 -0.812 30.9 145.9 -92.7 99.9 -36.4 -3.9 12.3 88 90 A N + 0 0 20 -75,-1.6 -74,-0.2 -2,-1.0 -1,-0.2 0.631 17.1 124.2-110.4 -23.0 -33.1 -2.4 11.2 89 91 A A + 0 0 20 -76,-0.2 2,-0.3 26,-0.1 50,-0.1 -0.156 35.3 149.2 -55.3 133.1 -31.4 -5.0 9.0 90 92 A G - 0 0 30 -76,-0.1 2,-0.3 25,-0.1 18,-0.1 -0.981 25.7-165.8-161.1 158.5 -30.6 -3.7 5.5 91 93 A V - 0 0 30 -2,-0.3 2,-0.3 17,-0.2 21,-0.1 -0.903 4.3-164.9-136.9 167.6 -28.1 -3.9 2.6 92 94 A S - 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