==== 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 12-FEB-11 2Y99 . COMPND 2 MOLECULE: CIS-2,3-DIHYDROBIPHENYL-2,3-DIOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: COMAMONAS TESTOSTERONI; . AUTHOR S.DHINDWAL,D.N.PATIL,P.KUMAR . 534 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21924.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 370 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 11.6 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 . 2 0.4 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 . 30 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 176 33.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.2 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 3 0 1 2 0 0 1 1 4 0 0 2 0 2 0 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 1 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 0 145 0, 0.0 3,-0.7 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 37.7 8.7 8.0 13.0 2 2 A K T 3 + 0 0 24 1,-0.2 229,-0.5 228,-0.0 27,-0.1 0.737 360.0 54.2 -75.0 -24.9 6.3 8.7 15.9 3 3 A L T > + 0 0 1 25,-1.2 3,-1.9 22,-0.1 -1,-0.2 -0.026 66.1 151.7-110.3 29.7 7.9 12.0 17.1 4 4 A T T < S+ 0 0 88 -3,-0.7 26,-0.2 1,-0.3 25,-0.1 -0.428 78.9 4.8 -62.9 126.2 8.0 14.2 13.9 5 5 A G T 3 S+ 0 0 45 24,-1.2 2,-0.3 1,-0.3 -1,-0.3 0.528 100.6 130.5 76.7 7.4 7.8 17.8 14.9 6 6 A E < - 0 0 21 -3,-1.9 25,-3.0 23,-0.4 2,-0.5 -0.730 45.4-150.9 -95.0 142.9 8.0 17.1 18.6 7 7 A V E -a 31 0A 3 -2,-0.3 74,-2.5 23,-0.2 75,-1.9 -0.957 14.5-174.1-119.7 120.2 10.5 18.8 20.9 8 8 A A E -ab 32 82A 2 23,-2.9 25,-2.7 -2,-0.5 2,-0.5 -0.807 16.8-153.8-110.5 149.1 11.9 17.1 24.0 9 9 A L E -ab 33 83A 0 73,-2.5 75,-3.5 -2,-0.3 2,-0.5 -0.993 18.5-176.1-117.9 122.3 14.1 18.3 26.9 10 10 A I E > -ab 34 84A 0 23,-2.8 25,-1.2 -2,-0.5 3,-0.6 -0.975 13.1-148.0-122.9 121.3 16.1 15.5 28.5 11 11 A T E 3 S+a 35 0A 2 73,-1.8 75,-0.2 -2,-0.5 25,-0.2 -0.578 81.2 16.0 -84.4 150.8 18.4 16.1 31.6 12 12 A G T 3 S+ 0 0 13 23,-3.0 3,-0.5 -2,-0.2 6,-0.4 0.852 82.7 141.3 57.2 39.6 21.5 14.0 32.1 13 13 A G < + 0 0 0 -3,-0.6 9,-0.2 22,-0.4 -1,-0.1 0.059 37.0 90.5-103.9 23.8 21.4 12.9 28.5 14 14 A A S S+ 0 0 2 1,-0.2 2,-0.3 21,-0.1 -1,-0.2 0.552 98.9 10.6 -92.5 -10.5 25.1 13.0 27.6 15 15 A S S >> S+ 0 0 50 -3,-0.5 3,-0.8 0, 0.0 4,-0.6 -0.981 108.1 7.7-160.0 163.2 25.7 9.4 28.6 16 16 A G H >> S- 0 0 32 -2,-0.3 4,-2.0 1,-0.2 3,-0.5 -0.233 122.0 -11.0 62.3-147.9 23.9 6.2 29.6 17 17 A L H 3> S+ 0 0 12 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.838 136.0 58.3 -52.7 -40.5 20.1 5.9 29.3 18 18 A G H <> S+ 0 0 0 -3,-0.8 4,-1.9 -6,-0.4 -5,-0.2 0.917 107.5 45.8 -54.7 -48.6 19.8 9.7 28.7 19 19 A R H S+ 0 0 2 -4,-3.2 5,-2.6 1,-0.2 3,-0.4 0.916 111.6 48.3 -55.7 -47.0 14.3 10.6 19.9 26 26 A V H ><5S+ 0 0 18 -4,-2.9 3,-1.6 1,-0.2 -1,-0.2 0.895 110.4 52.3 -59.7 -40.8 16.3 12.2 17.1 27 27 A A H 3<5S+ 0 0 70 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.737 104.4 57.0 -67.5 -23.5 15.9 9.0 15.1 28 28 A E T 3<5S- 0 0 23 -4,-1.4 -25,-1.2 -3,-0.4 -1,-0.3 0.299 128.0-100.3 -88.0 7.5 12.1 9.3 15.6 29 29 A G T < 5S+ 0 0 25 -3,-1.6 -24,-1.2 1,-0.3 -23,-0.4 0.680 78.2 140.1 81.7 19.9 12.2 12.8 14.1 30 30 A A < - 0 0 0 -5,-2.6 2,-0.5 -26,-0.2 -1,-0.3 -0.515 51.7-128.5 -89.7 160.3 12.2 14.6 17.4 31 31 A R E -a 7 0A 98 -25,-3.0 -23,-2.9 -2,-0.2 2,-0.4 -0.958 30.6-160.8-109.1 127.7 14.1 17.7 18.4 32 32 A V E -ac 8 53A 0 20,-2.2 22,-2.2 -2,-0.5 2,-0.4 -0.923 17.1-166.2-123.3 129.1 16.1 17.3 21.6 33 33 A A E -ac 9 54A 1 -25,-2.7 -23,-2.8 -2,-0.4 2,-0.5 -0.926 17.0-158.5-107.1 136.4 17.6 19.7 24.1 34 34 A V E -ac 10 55A 0 20,-2.6 22,-3.1 -2,-0.4 2,-0.6 -0.958 12.3-164.5-123.7 126.5 20.0 18.3 26.7 35 35 A L E +ac 11 56A 0 -25,-1.2 -23,-3.0 -2,-0.5 -22,-0.4 -0.947 32.0 144.6-104.8 119.9 21.1 19.7 30.1 36 36 A D E - c 0 57A 18 20,-1.6 22,-2.0 -2,-0.6 6,-0.0 -0.982 55.1-128.6-151.1 157.1 24.2 18.0 31.4 37 37 A K S S+ 0 0 143 -2,-0.3 2,-0.8 20,-0.2 22,-0.1 0.637 87.6 89.9 -80.0 -16.3 27.4 18.8 33.4 38 38 A S > - 0 0 37 1,-0.2 4,-1.3 20,-0.1 5,-0.1 -0.746 53.0-177.5 -90.7 107.1 29.6 17.2 30.8 39 39 A A H > S+ 0 0 34 -2,-0.8 4,-1.8 2,-0.2 5,-0.2 0.915 80.3 46.9 -68.7 -46.8 30.6 19.9 28.2 40 40 A E H > S+ 0 0 148 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.785 112.7 49.5 -72.1 -29.6 32.7 17.7 25.8 41 41 A R H > S+ 0 0 108 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.811 108.6 54.7 -74.8 -32.9 30.0 14.9 25.7 42 42 A L H X S+ 0 0 2 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.896 109.9 45.0 -65.5 -43.1 27.3 17.5 25.0 43 43 A R H X S+ 0 0 132 -4,-1.8 4,-2.2 2,-0.2 5,-0.2 0.863 112.1 53.1 -67.9 -37.8 29.2 18.9 21.9 44 44 A E H X S+ 0 0 95 -4,-1.4 4,-1.2 2,-0.2 -2,-0.2 0.882 110.9 47.0 -60.3 -42.1 29.8 15.3 20.8 45 45 A L H X S+ 0 0 0 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.876 109.9 54.5 -65.6 -40.9 26.1 14.7 21.1 46 46 A E H < S+ 0 0 47 -4,-2.2 7,-0.3 1,-0.2 5,-0.3 0.886 109.8 44.1 -62.3 -44.2 25.4 17.9 19.2 47 47 A V H >< S+ 0 0 124 -4,-2.2 3,-0.7 1,-0.2 -1,-0.2 0.755 108.7 58.6 -74.8 -25.0 27.6 17.0 16.2 48 48 A A H 3< S+ 0 0 54 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.769 119.8 29.5 -71.8 -28.0 26.1 13.5 16.1 49 49 A H T 3X S- 0 0 29 -4,-1.1 4,-2.1 -3,-0.2 3,-0.4 -0.570 89.3-163.1-130.6 67.7 22.7 15.0 15.7 50 50 A G B <4 S-d 53 0A 61 -3,-0.7 -3,-0.1 1,-0.2 4,-0.1 -0.361 72.4 -5.3 -62.3 112.8 23.4 18.3 13.8 51 51 A G T 4 S+ 0 0 52 2,-0.5 -1,-0.2 -2,-0.3 -4,-0.1 -0.164 124.8 70.6 100.1 -38.3 20.4 20.6 14.0 52 52 A N T 4 S+ 0 0 56 -3,-0.4 -20,-2.2 -6,-0.2 2,-0.4 0.780 99.1 46.4 -81.9 -29.0 18.0 18.3 15.8 53 53 A A E < -cd 32 50A 7 -4,-2.1 -2,-0.5 -7,-0.3 2,-0.4 -0.933 59.8-173.4-121.1 139.6 19.9 18.3 19.2 54 54 A V E -c 33 0A 14 -22,-2.2 -20,-2.6 -2,-0.4 2,-0.4 -0.998 12.8-148.4-131.8 132.3 21.3 21.2 21.3 55 55 A G E -c 34 0A 4 -2,-0.4 2,-0.4 -22,-0.2 -20,-0.2 -0.806 7.1-166.7-104.0 138.7 23.4 20.9 24.4 56 56 A V E -c 35 0A 7 -22,-3.1 -20,-1.6 -2,-0.4 2,-0.5 -0.984 19.2-134.9-126.0 120.7 23.5 23.2 27.4 57 57 A V E +c 36 0A 70 -2,-0.4 2,-0.3 -22,-0.2 -20,-0.2 -0.614 54.0 105.0 -78.2 121.0 26.2 23.0 30.0 58 58 A G - 0 0 11 -22,-2.0 2,-0.4 -2,-0.5 -20,-0.1 -0.984 65.5 -86.3-178.1 174.4 24.8 23.2 33.6 59 59 A D > - 0 0 39 -2,-0.3 3,-1.0 1,-0.1 6,-0.3 -0.856 19.5-146.7-103.0 133.5 23.9 21.5 36.8 60 60 A V T 3 S+ 0 0 13 -2,-0.4 61,-0.2 1,-0.2 62,-0.1 0.728 101.2 63.4 -68.3 -21.9 20.5 19.9 37.4 61 61 A R T 3 S+ 0 0 79 60,-0.1 2,-0.5 4,-0.0 -1,-0.2 0.725 90.6 80.7 -71.2 -24.0 20.7 20.9 41.0 62 62 A S <> - 0 0 41 -3,-1.0 4,-1.2 1,-0.1 5,-0.1 -0.763 65.7-160.2 -88.5 124.5 20.7 24.6 39.9 63 63 A L H > S+ 0 0 55 -2,-0.5 4,-2.3 2,-0.2 -1,-0.1 0.816 94.6 55.7 -69.5 -31.7 17.3 26.0 39.0 64 64 A Q H > S+ 0 0 118 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.820 106.2 49.5 -72.6 -32.3 19.0 28.8 37.0 65 65 A D H > S+ 0 0 37 -6,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.790 111.1 50.6 -72.9 -30.3 20.8 26.1 34.9 66 66 A Q H X S+ 0 0 1 -4,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.885 111.4 47.8 -69.2 -41.8 17.4 24.4 34.4 67 67 A K H X S+ 0 0 103 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.882 109.8 52.6 -64.7 -41.0 16.0 27.8 33.4 68 68 A R H X S+ 0 0 99 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.869 110.7 48.7 -59.7 -39.7 18.9 28.3 31.0 69 69 A A H X S+ 0 0 1 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.938 112.7 45.9 -65.3 -49.6 18.1 24.9 29.5 70 70 A A H X S+ 0 0 9 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.853 115.7 47.8 -60.6 -37.9 14.4 25.7 29.1 71 71 A E H X S+ 0 0 134 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.865 111.8 48.7 -71.0 -40.5 15.3 29.1 27.6 72 72 A R H X S+ 0 0 116 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.819 110.3 51.9 -70.0 -34.4 17.9 27.6 25.2 73 73 A C H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 5,-0.4 0.914 111.5 46.3 -68.1 -45.3 15.4 25.0 24.0 74 74 A L H X S+ 0 0 74 -4,-1.7 4,-2.1 3,-0.2 -2,-0.2 0.904 112.6 51.3 -60.9 -43.9 12.8 27.6 23.3 75 75 A A H < S+ 0 0 88 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.893 120.0 34.0 -61.0 -42.4 15.3 29.8 21.5 76 76 A A H < S+ 0 0 51 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.836 136.6 17.9 -84.4 -36.9 16.5 26.9 19.3 77 77 A F H < S- 0 0 32 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.428 89.7-128.3-122.6 -3.4 13.3 24.9 18.8 78 78 A G S < S+ 0 0 59 -4,-2.1 2,-0.3 -5,-0.4 -4,-0.2 0.177 79.0 33.6 81.9 -19.2 10.4 27.3 19.7 79 79 A K - 0 0 79 -6,-0.4 2,-0.4 -71,-0.0 -2,-0.1 -0.972 62.1-134.8-158.2 164.8 8.7 24.9 22.1 80 80 A I + 0 0 0 49,-0.3 53,-0.3 -2,-0.3 55,-0.3 -0.927 26.5 165.6-129.3 107.4 9.0 22.1 24.7 81 81 A D + 0 0 13 -74,-2.5 55,-1.9 -2,-0.4 2,-0.4 0.906 68.4 24.5 -85.2 -48.4 6.5 19.3 24.2 82 82 A T E -be 8 136A 4 -75,-1.9 -73,-2.5 53,-0.2 2,-0.5 -0.975 62.5-159.6-127.0 131.0 8.0 16.6 26.4 83 83 A L E -be 9 137A 0 53,-2.4 55,-3.1 -2,-0.4 -73,-0.2 -0.937 4.7-170.5-107.0 127.7 10.3 16.9 29.5 84 84 A I E -b 10 0A 0 -75,-3.5 -73,-1.8 -2,-0.5 2,-0.8 -0.813 5.8-163.9-117.4 87.9 12.3 13.9 30.5 85 85 A P + 0 0 0 0, 0.0 55,-2.3 0, 0.0 34,-0.1 -0.642 32.9 146.9 -67.3 110.4 14.0 14.5 33.9 86 86 A N + 0 0 16 -2,-0.8 2,-0.2 -75,-0.2 -74,-0.1 0.552 17.0 119.7-127.3 -18.8 16.5 11.7 33.7 87 87 A A + 0 0 12 -3,-0.2 2,-0.3 -52,-0.1 -75,-0.1 -0.386 39.8 160.9 -63.8 121.4 19.7 12.8 35.6 88 88 A G - 0 0 27 -2,-0.2 2,-0.4 -76,-0.1 104,-0.3 -0.951 30.9-148.0-144.5 161.3 20.4 10.5 38.5 89 89 A I - 0 0 27 -2,-0.3 104,-0.2 22,-0.2 2,-0.1 -0.990 15.4-142.6-133.6 134.7 23.1 9.3 40.9 90 90 A W - 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