==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 23-JUL-11 3ZV5 . COMPND 2 MOLECULE: CIS-2,3-DIHYDROBIPHENYL-2,3-DIOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PANDORAEA PNOMENUSA; . AUTHOR S.DHINDWAL,D.N.PATIL,P.KUMAR . 543 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21594.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 387 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 11.0 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 1 0.2 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 . 25 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 181 33.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.0 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 4 0 0 2 1 0 1 1 3 0 0 3 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 2 6 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 2 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 1 A M > 0 0 142 0, 0.0 3,-0.8 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 119.7 8.6 -10.3 -31.5 2 2 A K T 3 + 0 0 31 1,-0.2 27,-0.1 235,-0.0 26,-0.1 0.816 360.0 36.9 -54.0 -28.2 8.3 -8.1 -28.4 3 3 A L T > S+ 0 0 2 25,-1.5 3,-2.2 22,-0.1 -1,-0.2 0.023 70.4 162.2-127.4 22.2 11.8 -9.3 -27.4 4 4 A T T < S+ 0 0 96 -3,-0.8 26,-0.2 1,-0.3 25,-0.1 -0.192 77.9 5.1 -56.4 132.8 14.2 -9.9 -30.3 5 5 A G T 3 S+ 0 0 36 24,-1.6 -1,-0.3 1,-0.2 25,-0.2 0.455 96.3 133.4 75.6 -0.5 17.9 -10.1 -29.2 6 6 A E < - 0 0 36 -3,-2.2 25,-2.1 19,-0.1 2,-0.4 -0.509 45.7-145.0 -82.0 155.0 17.0 -9.9 -25.5 7 7 A V E -a 31 0A 4 23,-0.2 74,-2.6 -2,-0.1 75,-2.2 -0.980 15.3-170.8-126.2 119.7 18.7 -12.3 -23.0 8 8 A A E -ab 32 82A 1 23,-2.5 25,-2.9 -2,-0.4 2,-0.4 -0.817 14.8-159.0-108.4 147.6 16.9 -13.7 -20.0 9 9 A L E -ab 33 83A 0 73,-2.9 75,-3.5 -2,-0.3 2,-0.4 -0.991 20.0-178.8-120.2 122.9 18.1 -15.7 -17.0 10 10 A I E > -ab 34 84A 0 23,-3.2 25,-1.8 -2,-0.4 3,-0.6 -0.969 16.1-149.7-125.2 128.2 15.2 -17.6 -15.3 11 11 A T E 3 S+a 35 0A 0 73,-1.8 25,-0.2 -2,-0.4 75,-0.1 -0.777 85.1 22.3-100.1 151.0 15.5 -19.7 -12.2 12 12 A G T > S+ 0 0 8 23,-2.2 3,-0.6 -2,-0.3 6,-0.5 0.751 83.0 137.9 61.9 31.4 13.1 -22.7 -11.8 13 13 A G T < + 0 0 0 -3,-0.6 9,-0.2 22,-0.6 23,-0.1 0.266 45.5 78.0 -91.3 11.0 12.5 -22.6 -15.6 14 14 A A T 3 S+ 0 0 6 21,-0.1 2,-0.3 8,-0.1 -1,-0.2 0.539 102.5 26.9 -96.3 -9.5 12.6 -26.4 -16.3 15 15 A S S X> S- 0 0 32 -3,-0.6 4,-1.6 27,-0.0 3,-0.9 -0.905 108.5 -10.1-138.1 170.5 9.0 -26.9 -15.0 16 16 A G H >> S- 0 0 18 -2,-0.3 4,-1.9 1,-0.2 3,-0.7 0.068 123.2 -5.8 49.7-140.6 5.7 -25.1 -14.5 17 17 A L H 3> S+ 0 0 7 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.810 132.9 59.2 -56.0 -36.7 5.5 -21.3 -15.0 18 18 A G H <> S+ 0 0 0 -3,-0.9 4,-1.6 -6,-0.5 -5,-0.3 0.833 108.2 45.9 -67.1 -35.0 9.3 -21.1 -15.5 19 19 A R H S+ 0 0 2 -4,-3.3 5,-2.3 1,-0.2 3,-0.4 0.878 110.6 48.0 -62.0 -39.8 10.5 -15.8 -24.3 26 26 A V H ><5S+ 0 0 20 -4,-2.4 3,-1.9 1,-0.2 -1,-0.2 0.901 108.1 55.1 -65.5 -42.1 12.1 -17.8 -27.1 27 27 A A H 3<5S+ 0 0 68 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.717 105.7 56.0 -60.8 -20.2 8.9 -17.4 -29.2 28 28 A E T 3<5S- 0 0 29 -4,-0.9 -25,-1.5 -3,-0.4 -1,-0.3 0.190 128.0 -96.6 -97.6 11.1 9.4 -13.6 -28.7 29 29 A G T < 5S+ 0 0 16 -3,-1.9 -24,-1.6 1,-0.3 -3,-0.2 0.310 82.3 129.6 89.2 -5.7 13.0 -13.6 -30.0 30 30 A A < - 0 0 1 -5,-2.3 2,-0.4 -26,-0.2 -1,-0.3 -0.298 52.8-134.8 -78.8 161.0 14.9 -13.9 -26.7 31 31 A R E -a 7 0A 97 -25,-2.1 -23,-2.5 -2,-0.1 2,-0.5 -0.954 27.8-149.7-113.0 137.0 17.6 -16.3 -25.7 32 32 A V E -ac 8 53A 0 20,-3.2 22,-2.6 -2,-0.4 2,-0.4 -0.937 18.2-164.2-125.9 127.8 17.2 -17.9 -22.3 33 33 A A E -ac 9 54A 0 -25,-2.9 -23,-3.2 -2,-0.5 2,-0.5 -0.861 17.6-163.3 -97.1 137.5 19.4 -19.3 -19.5 34 34 A V E -ac 10 55A 0 20,-2.1 22,-3.6 -2,-0.4 2,-0.6 -0.977 12.9-163.3-124.7 126.2 17.8 -21.5 -16.9 35 35 A L E +ac 11 56A 0 -25,-1.8 -23,-2.2 -2,-0.5 -22,-0.6 -0.974 33.8 145.6-101.7 122.0 19.1 -22.4 -13.5 36 36 A D E - c 0 57A 18 20,-1.7 22,-1.9 -2,-0.6 -2,-0.1 -0.964 53.6-133.0-149.0 157.8 17.2 -25.4 -12.2 37 37 A K S S+ 0 0 147 -2,-0.3 2,-1.1 20,-0.2 22,-0.1 0.648 81.9 97.9 -84.0 -15.3 17.9 -28.5 -10.1 38 38 A S > - 0 0 34 1,-0.2 4,-1.9 20,-0.1 5,-0.2 -0.630 51.3-175.2 -86.6 99.8 16.2 -30.8 -12.7 39 39 A A H > S+ 0 0 41 -2,-1.1 4,-1.6 1,-0.2 3,-0.3 0.943 81.0 42.1 -52.1 -63.0 18.8 -32.4 -15.0 40 40 A E H > S+ 0 0 127 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.816 115.0 49.0 -60.2 -40.8 16.5 -34.2 -17.4 41 41 A R H > S+ 0 0 90 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.781 108.1 56.0 -69.9 -31.1 14.0 -31.4 -17.8 42 42 A L H X S+ 0 0 4 -4,-1.9 4,-1.0 -3,-0.3 -2,-0.2 0.847 110.2 45.0 -65.6 -37.1 16.8 -28.9 -18.4 43 43 A R H X S+ 0 0 141 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.862 109.3 56.4 -73.3 -36.4 18.0 -31.0 -21.3 44 44 A E H X S+ 0 0 111 -4,-1.7 4,-1.0 1,-0.2 -2,-0.2 0.909 109.1 46.3 -58.1 -46.6 14.4 -31.4 -22.5 45 45 A L H X S+ 0 0 0 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.784 110.6 54.5 -66.5 -28.6 14.0 -27.6 -22.7 46 46 A E H X S+ 0 0 48 -4,-1.0 4,-0.8 1,-0.2 5,-0.5 0.923 108.7 46.0 -72.1 -43.6 17.4 -27.4 -24.5 47 47 A V H < S+ 0 0 118 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.688 110.2 56.2 -74.5 -18.7 16.5 -29.8 -27.3 48 48 A A H < S+ 0 0 58 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.803 114.7 36.9 -77.7 -30.0 13.1 -28.1 -27.7 49 49 A H H >< S- 0 0 31 -4,-1.0 3,-1.7 -3,-0.4 -2,-0.2 0.310 89.7-144.3-116.7 5.9 14.7 -24.7 -28.3 50 50 A G T 3< S- 0 0 67 -4,-0.8 -3,-0.1 1,-0.3 -4,-0.1 0.704 75.4 -24.4 43.0 57.8 17.9 -25.4 -30.4 51 51 A G T 3 S+ 0 0 56 -5,-0.5 -1,-0.3 2,-0.4 -4,-0.1 0.212 119.5 88.5 98.0 -18.1 20.6 -22.8 -29.2 52 52 A N S < S+ 0 0 52 -3,-1.7 -20,-3.2 -6,-0.2 2,-0.4 0.327 89.0 57.6 -91.8 1.5 18.2 -20.1 -27.9 53 53 A A E -c 32 0A 8 -22,-0.2 -2,-0.4 -7,-0.2 2,-0.4 -0.978 59.7-174.6-143.8 126.2 18.2 -21.9 -24.6 54 54 A V E -c 33 0A 13 -22,-2.6 -20,-2.1 -2,-0.4 2,-0.5 -0.915 13.0-157.2-118.1 137.7 21.0 -22.8 -22.2 55 55 A G E -c 34 0A 8 -2,-0.4 2,-0.5 -22,-0.2 -20,-0.2 -0.972 5.4-167.1-125.0 128.0 20.4 -24.9 -19.1 56 56 A V E -c 35 0A 3 -22,-3.6 -20,-1.7 -2,-0.5 2,-0.2 -0.954 15.8-140.8-119.2 115.4 22.5 -25.0 -16.0 57 57 A V E +c 36 0A 69 -2,-0.5 2,-0.3 -22,-0.2 -20,-0.2 -0.523 53.4 103.0 -66.6 131.3 22.0 -27.7 -13.3 58 58 A G - 0 0 9 -22,-1.9 2,-0.4 -2,-0.2 -20,-0.1 -0.895 66.1 -82.4 166.3 170.0 22.3 -26.3 -9.9 59 59 A D > - 0 0 43 -2,-0.3 3,-1.6 1,-0.1 7,-0.3 -0.814 17.5-145.1-101.8 130.1 20.7 -25.1 -6.7 60 60 A V T 3 S+ 0 0 12 -2,-0.4 61,-0.2 1,-0.3 -1,-0.1 0.750 100.3 64.5 -59.0 -26.0 19.2 -21.6 -6.2 61 61 A R T 3 S+ 0 0 79 60,-0.1 2,-0.6 4,-0.0 -1,-0.3 0.565 89.2 76.6 -73.6 -17.4 20.4 -21.8 -2.5 62 62 A S <> - 0 0 42 -3,-1.6 4,-1.6 1,-0.2 5,-0.1 -0.918 66.9-158.3 -98.4 115.6 24.1 -21.9 -3.5 63 63 A L H > S+ 0 0 53 -2,-0.6 4,-3.2 2,-0.2 5,-0.2 0.848 93.6 60.3 -50.8 -38.0 25.4 -18.5 -4.6 64 64 A Q H > S+ 0 0 126 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.941 104.3 44.5 -63.2 -50.5 28.1 -20.4 -6.5 65 65 A D H > S+ 0 0 31 -6,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.892 114.7 52.0 -57.3 -41.5 25.7 -22.3 -8.8 66 66 A Q H X S+ 0 0 0 -4,-1.6 4,-2.3 -7,-0.3 -2,-0.2 0.928 109.7 47.5 -61.7 -47.8 23.9 -19.1 -9.3 67 67 A K H X S+ 0 0 93 -4,-3.2 4,-2.6 2,-0.2 -2,-0.2 0.900 111.2 52.7 -56.4 -43.9 27.2 -17.4 -10.2 68 68 A R H X S+ 0 0 106 -4,-3.0 4,-3.3 2,-0.2 5,-0.3 0.941 106.6 52.1 -58.4 -48.1 27.9 -20.3 -12.5 69 69 A A H X S+ 0 0 0 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.922 111.0 47.5 -55.2 -47.0 24.5 -19.8 -14.2 70 70 A A H X S+ 0 0 5 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.936 113.7 48.3 -54.9 -48.8 25.3 -16.1 -14.7 71 71 A E H X S+ 0 0 117 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.926 111.5 47.7 -62.3 -50.8 28.8 -17.1 -16.1 72 72 A R H X S+ 0 0 104 -4,-3.3 4,-3.6 2,-0.2 5,-0.2 0.905 111.8 52.2 -56.4 -44.7 27.4 -19.7 -18.5 73 73 A C H X S+ 0 0 0 -4,-2.5 4,-3.5 -5,-0.3 5,-0.5 0.923 111.7 45.4 -57.5 -49.5 24.7 -17.2 -19.7 74 74 A L H X S+ 0 0 65 -4,-2.7 4,-2.3 3,-0.2 -2,-0.2 0.925 115.5 47.7 -58.3 -47.8 27.4 -14.6 -20.4 75 75 A A H < S+ 0 0 89 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.929 119.6 38.6 -59.4 -47.9 29.5 -17.2 -22.1 76 76 A A H < S+ 0 0 49 -4,-3.6 -2,-0.2 -5,-0.2 -3,-0.2 0.933 135.4 15.4 -68.3 -44.0 26.6 -18.5 -24.2 77 77 A F H < S- 0 0 41 -4,-3.5 -3,-0.2 -5,-0.2 -2,-0.2 0.595 88.0-121.9-117.2 -14.3 24.9 -15.2 -24.9 78 78 A G S < S+ 0 0 61 -4,-2.3 2,-0.3 -5,-0.5 -4,-0.2 -0.055 82.6 17.0 98.1 -33.0 27.1 -12.2 -24.3 79 79 A K - 0 0 84 -6,-0.3 2,-0.4 -71,-0.0 -2,-0.1 -0.926 64.1-122.6-155.4 175.2 24.9 -10.4 -21.8 80 80 A I + 0 0 0 49,-0.4 53,-0.3 -2,-0.3 55,-0.3 -0.980 26.0 168.8-126.6 113.8 21.9 -10.7 -19.3 81 81 A D + 0 0 4 -74,-2.6 55,-1.9 -2,-0.4 2,-0.4 0.863 69.3 27.6 -87.1 -41.5 19.0 -8.2 -20.0 82 82 A T E -bd 8 136A 3 -75,-2.2 -73,-2.9 53,-0.2 2,-0.5 -0.982 60.2-159.9-134.7 121.1 16.3 -9.7 -17.7 83 83 A L E -bd 9 137A 0 53,-2.3 55,-3.0 -2,-0.4 -73,-0.2 -0.898 9.9-175.0 -95.3 122.7 16.7 -11.7 -14.4 84 84 A I E -b 10 0A 0 -75,-3.5 -73,-1.8 -2,-0.5 2,-0.3 -0.711 5.5-166.6-117.4 79.7 13.5 -13.7 -13.5 85 85 A P + 0 0 0 0, 0.0 55,-2.1 0, 0.0 34,-0.1 -0.563 32.9 138.9 -71.1 136.9 14.0 -15.3 -10.1 86 86 A N + 0 0 18 -2,-0.3 -74,-0.2 53,-0.2 -68,-0.1 0.471 12.6 124.0-155.5 -24.6 11.2 -17.8 -10.0 87 87 A A + 0 0 17 -52,-0.1 2,-0.3 31,-0.1 -75,-0.1 -0.340 41.4 166.1 -63.2 142.2 12.2 -21.2 -8.5 88 88 A G - 0 0 29 -76,-0.1 104,-0.4 30,-0.0 2,-0.3 -0.989 34.7-148.5-160.7 162.5 9.9 -22.0 -5.6 89 89 A I - 0 0 20 -2,-0.3 104,-0.2 22,-0.2 2,-0.2 -0.977 20.3-142.0-136.7 140.5 8.5 -24.5 -3.0 90 90 A W - 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