==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 10-MAY-10 3MY7 . COMPND 2 MOLECULE: ALCOHOL DEHYDROGENASE/ACETALDEHYDE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO PARAHAEMOLYTICUS; . AUTHOR A.J.STEIN,A.WEGER,L.VOLKART,M.GU,A.JOACHIMIAK,MIDWEST CENTER . 1651 17 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 63871.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1248 75.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 223 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.2 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 . 125 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 179 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 593 35.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 1.7 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 1 1 3 4 7 8 4 5 1 5 1 0 8 3 5 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 15 17 10 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 PARALLEL BRIDGES PER LADDER . 3 2 0 3 0 1 3 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 . 1 0 0 4 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 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 2 A P 0 0 121 0, 0.0 2,-0.6 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 103.7 12.4 17.4 -22.3 2 3 A V + 0 0 3 160,-0.1 163,-1.7 1,-0.1 162,-0.7 -0.887 360.0 127.6-117.4 96.7 9.2 15.3 -23.0 3 4 A T S S+ 0 0 78 -2,-0.6 2,-0.2 161,-0.2 -1,-0.1 0.415 72.2 22.7-124.5 -8.5 7.3 16.4 -26.1 4 5 A N S > S- 0 0 75 -3,-0.2 4,-2.2 166,-0.0 3,-0.3 -0.879 88.7 -80.0-151.8-175.0 7.1 13.0 -27.9 5 6 A X H > S+ 0 0 97 1,-0.2 4,-2.6 -2,-0.2 5,-0.2 0.823 119.2 46.5 -64.4 -47.7 7.1 9.2 -27.7 6 7 A A H > S+ 0 0 74 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.764 116.8 49.1 -67.0 -27.0 10.8 8.3 -27.5 7 8 A E H > S+ 0 0 60 -3,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.831 110.3 48.7 -80.4 -36.1 11.1 11.1 -24.9 8 9 A L H X S+ 0 0 1 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.970 115.2 45.0 -64.9 -53.5 8.1 9.8 -22.9 9 10 A D H X S+ 0 0 80 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.927 113.8 50.0 -51.9 -52.4 9.5 6.2 -23.0 10 11 A A H X S+ 0 0 47 -4,-1.7 4,-1.0 -5,-0.2 -1,-0.2 0.834 113.4 46.0 -56.9 -36.0 13.0 7.5 -22.1 11 12 A X H X S+ 0 0 13 -4,-1.8 4,-2.2 2,-0.2 3,-0.3 0.914 108.1 55.9 -76.4 -40.1 11.6 9.5 -19.2 12 13 A I H X S+ 0 0 1 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.883 105.6 53.5 -55.0 -42.3 9.5 6.6 -17.9 13 14 A A H X S+ 0 0 58 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.846 106.3 51.8 -64.1 -36.1 12.7 4.5 -17.8 14 15 A R H X S+ 0 0 102 -4,-1.0 4,-2.1 -3,-0.3 144,-0.3 0.901 112.0 45.7 -68.4 -40.2 14.4 7.1 -15.6 15 16 A V H X S+ 0 0 1 -4,-2.2 4,-3.3 2,-0.2 5,-0.3 0.892 108.0 59.0 -68.2 -37.6 11.5 7.2 -13.2 16 17 A K H X S+ 0 0 85 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.930 110.5 41.4 -52.6 -49.6 11.5 3.3 -13.3 17 18 A K H X S+ 0 0 50 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.853 112.8 54.7 -67.6 -39.1 15.1 3.4 -12.0 18 19 A A H X S+ 0 0 8 -4,-2.1 4,-3.3 2,-0.2 5,-0.2 0.970 109.4 46.5 -59.5 -52.6 14.4 6.2 -9.5 19 20 A Q H X S+ 0 0 27 -4,-3.3 4,-3.2 1,-0.2 -2,-0.2 0.909 107.7 58.3 -58.5 -41.8 11.6 4.2 -8.0 20 21 A E H < S+ 0 0 113 -4,-2.2 4,-0.5 -5,-0.3 -1,-0.2 0.926 113.1 39.4 -50.3 -48.7 13.9 1.1 -7.9 21 22 A E H >< S+ 0 0 45 -4,-2.2 3,-1.3 -3,-0.2 4,-0.3 0.919 114.8 52.8 -67.0 -43.4 16.3 3.1 -5.8 22 23 A F H >< S+ 0 0 0 -4,-3.3 3,-2.1 1,-0.3 -2,-0.2 0.852 96.6 67.5 -63.4 -37.7 13.5 4.8 -3.7 23 24 A A T 3< S+ 0 0 32 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.787 97.6 55.5 -47.4 -33.8 12.0 1.4 -2.9 24 25 A T T < S+ 0 0 114 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.575 84.2 116.1 -80.6 -12.0 15.1 0.7 -0.8 25 26 A Y < - 0 0 39 -3,-2.1 2,-0.1 -4,-0.3 -3,-0.0 -0.204 64.9-118.4 -64.7 147.4 14.8 3.8 1.4 26 27 A S > - 0 0 56 1,-0.1 4,-2.6 59,-0.0 5,-0.2 -0.400 23.9-112.3 -77.7 160.8 14.2 3.7 5.1 27 28 A Q H > S+ 0 0 50 2,-0.2 4,-3.2 1,-0.2 5,-0.1 0.873 119.9 55.0 -60.2 -37.2 11.1 5.2 6.9 28 29 A E H > S+ 0 0 67 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.946 109.2 45.5 -58.1 -52.9 13.4 7.8 8.5 29 30 A Q H > S+ 0 0 90 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.894 114.5 49.7 -55.6 -46.1 14.7 8.9 5.0 30 31 A V H X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 -2,-0.2 0.947 108.7 51.9 -58.8 -49.0 11.1 8.9 3.7 31 32 A D H X S+ 0 0 60 -4,-3.2 4,-2.9 1,-0.2 5,-0.2 0.893 109.8 50.0 -53.9 -42.9 9.9 11.0 6.7 32 33 A K H X S+ 0 0 134 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.902 113.6 44.0 -67.2 -45.2 12.7 13.6 6.0 33 34 A I H X S+ 0 0 1 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.915 114.0 52.5 -59.9 -45.8 11.8 13.8 2.3 34 35 A F H X S+ 0 0 1 -4,-3.2 4,-1.8 1,-0.2 -2,-0.2 0.910 113.3 41.9 -62.2 -46.1 8.1 14.0 3.2 35 36 A R H X S+ 0 0 60 -4,-2.9 4,-2.3 -5,-0.2 -1,-0.2 0.935 116.8 48.5 -64.1 -47.6 8.5 16.8 5.7 36 37 A A H X S+ 0 0 35 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.877 114.3 44.6 -64.5 -37.0 11.0 18.7 3.5 37 38 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.864 113.2 49.3 -81.2 -33.8 8.8 18.5 0.4 38 39 A S H X S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.3 -1,-0.2 0.890 111.3 50.4 -68.2 -38.7 5.6 19.3 2.1 39 40 A L H X S+ 0 0 95 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.894 111.5 47.4 -68.3 -42.7 7.2 22.4 3.8 40 41 A A H X S+ 0 0 29 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.928 111.5 50.8 -59.6 -50.4 8.6 23.7 0.4 41 42 A A H >< S+ 0 0 0 -4,-2.1 3,-0.6 1,-0.2 -2,-0.2 0.934 111.9 47.7 -54.5 -50.4 5.2 23.2 -1.3 42 43 A N H >< S+ 0 0 23 -4,-2.4 3,-2.3 1,-0.2 -1,-0.2 0.916 107.5 55.6 -53.9 -47.5 3.4 25.1 1.5 43 44 A Q H 3< S+ 0 0 78 -4,-2.3 3,-0.3 1,-0.3 -1,-0.2 0.764 105.5 52.5 -62.4 -23.4 6.0 27.9 1.3 44 45 A A T S+ 0 0 83 -3,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.889 78.4 34.3 -35.2 -61.4 1.5 28.5 -1.5 46 47 A I H > S+ 0 0 83 -3,-0.3 4,-2.7 -4,-0.2 5,-0.3 0.980 116.4 49.0 -75.6 -58.4 1.0 32.0 -3.0 47 48 A P H > S+ 0 0 76 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.821 114.3 48.2 -56.9 -28.9 3.3 32.0 -6.0 48 49 A L H X S+ 0 0 7 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.886 111.4 50.4 -77.7 -34.7 1.8 28.7 -7.2 49 50 A A H X S+ 0 0 0 -4,-1.6 4,-2.3 -5,-0.4 5,-0.2 0.928 112.3 46.9 -60.2 -46.9 -1.7 30.0 -6.6 50 51 A Q H X S+ 0 0 107 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.921 111.7 50.5 -63.4 -48.4 -1.0 33.1 -8.6 51 52 A Q H X S+ 0 0 59 -4,-1.9 4,-2.5 -5,-0.3 5,-0.3 0.914 109.1 53.1 -53.2 -46.3 0.6 31.2 -11.4 52 53 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 5,-0.3 0.958 111.8 42.6 -59.0 -54.5 -2.5 28.8 -11.5 53 54 A V H X S+ 0 0 30 -4,-2.3 4,-1.5 1,-0.2 5,-0.3 0.911 114.6 51.8 -56.8 -44.7 -5.1 31.6 -11.9 54 55 A E H < S+ 0 0 83 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.957 115.8 38.6 -60.7 -51.3 -3.0 33.5 -14.4 55 56 A E H < S+ 0 0 55 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.886 122.5 37.4 -69.7 -45.2 -2.4 30.6 -16.8 56 57 A S H < S- 0 0 20 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.643 97.8-133.9 -84.5 -15.2 -5.7 28.7 -16.7 57 58 A G < + 0 0 44 -4,-1.5 2,-0.3 -5,-0.3 -3,-0.1 0.707 67.7 96.6 70.1 24.0 -7.7 32.0 -16.6 58 59 A X + 0 0 14 -5,-0.3 -1,-0.2 -6,-0.3 233,-0.2 -0.893 56.1 20.0-138.7 165.9 -10.1 30.8 -13.8 59 60 A G S S- 0 0 13 231,-3.1 2,-0.5 -2,-0.3 175,-0.1 -0.051 78.9 -61.4 77.7-170.7 -10.7 30.9 -10.1 60 61 A I >> - 0 0 46 1,-0.1 4,-2.0 231,-0.1 3,-1.5 -0.977 32.2-142.1-128.1 113.2 -9.6 33.1 -7.1 61 62 A V H 3> S+ 0 0 37 -2,-0.5 4,-1.6 1,-0.3 -1,-0.1 0.836 100.9 46.3 -39.6 -54.3 -5.9 33.4 -6.1 62 63 A E H 3> S+ 0 0 127 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.688 111.1 52.8 -77.3 -11.5 -6.5 33.4 -2.3 63 64 A D H <> S+ 0 0 31 -3,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.831 110.6 47.4 -82.6 -33.8 -8.9 30.4 -2.5 64 65 A K H X S+ 0 0 4 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.740 103.7 62.1 -73.7 -26.9 -6.3 28.5 -4.4 65 66 A V H X S+ 0 0 23 -4,-1.6 4,-2.1 -5,-0.3 -1,-0.2 0.949 106.3 46.1 -59.6 -45.2 -3.7 29.5 -1.8 66 67 A I H X S+ 0 0 69 -4,-0.9 4,-2.6 1,-0.2 -2,-0.2 0.843 110.9 52.1 -66.0 -42.2 -5.9 27.6 0.7 67 68 A K H X S+ 0 0 31 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.910 109.9 48.7 -55.7 -48.7 -6.1 24.6 -1.7 68 69 A N H X S+ 0 0 1 -4,-2.7 4,-0.5 1,-0.2 -2,-0.2 0.874 111.7 51.3 -64.8 -35.0 -2.3 24.6 -2.0 69 70 A H H >X>S+ 0 0 62 -4,-2.1 4,-1.4 1,-0.2 5,-1.3 0.939 110.5 46.2 -62.6 -49.2 -2.1 24.8 1.8 70 71 A F H 3<>S+ 0 0 108 -4,-2.6 5,-0.8 1,-0.3 -2,-0.2 0.833 110.7 53.8 -70.0 -25.0 -4.4 21.9 2.4 71 72 A A H 3<5S+ 0 0 10 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.622 124.5 25.0 -79.0 -11.0 -2.6 19.8 -0.3 72 73 A S H < S+ 0 0 14 -4,-1.5 3,-1.0 -5,-0.2 -2,-0.2 0.324 83.1 109.1-119.1 6.6 0.2 11.3 7.4 80 81 A K T 3< S+ 0 0 17 -4,-1.6 -1,-0.1 1,-0.2 -3,-0.1 0.906 97.0 31.0 -44.3 -46.9 3.4 12.3 9.3 81 82 A D T 3 S+ 0 0 153 -4,-0.3 2,-0.3 -3,-0.1 -1,-0.2 0.338 90.6 119.2-100.7 5.5 3.1 9.2 11.5 82 83 A E < - 0 0 76 -3,-1.0 2,-0.3 1,-0.1 -3,-0.0 -0.572 61.7-128.9 -78.0 130.9 1.4 6.7 9.0 83 84 A Q + 0 0 102 -2,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.627 40.9 154.6 -82.1 135.4 3.3 3.6 8.3 84 85 A T + 0 0 1 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.455 55.8 63.1-135.1 -17.8 3.8 2.8 4.5 85 86 A C S S- 0 0 12 2,-0.1 2,-0.2 10,-0.1 10,-0.1 -0.855 93.6 -7.8-114.7 148.3 7.0 0.7 4.4 86 87 A G E S+A 94 0A 32 8,-0.8 8,-2.5 -2,-0.3 2,-0.3 -0.420 101.7 9.6 87.4-140.5 7.8 -2.7 5.9 87 88 A I E A 93 0A 109 6,-0.2 6,-0.2 -2,-0.2 -2,-0.1 -0.629 360.0 360.0 -90.1 141.1 5.9 -5.0 8.3 88 89 A L 0 0 92 4,-2.5 4,-0.6 -2,-0.3 -2,-0.0 -0.768 360.0 360.0-125.6 360.0 2.2 -4.2 9.2 89 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 90 97 A T 0 0 131 0, 0.0 2,-0.3 0, 0.0 321,-0.2 0.000 360.0 360.0 360.0 138.4 2.5 -15.3 8.7 91 98 A X E - B 0 410A 54 319,-1.9 319,-3.0 2,-0.0 2,-0.5 -0.983 360.0-121.7-163.3 159.9 3.0 -11.5 8.1 92 99 A T E - B 0 409A 40 -4,-0.6 -4,-2.5 -2,-0.3 2,-0.5 -0.964 21.6-167.9-117.0 125.8 1.9 -8.4 6.0 93 100 A I E -AB 87 408A 10 315,-2.8 315,-1.6 -2,-0.5 2,-0.3 -0.948 13.7-142.2-114.8 123.7 4.5 -6.4 4.0 94 101 A A E -AB 86 407A 1 -8,-2.5 -8,-0.8 -2,-0.5 313,-0.2 -0.647 25.2-178.1 -81.8 139.6 3.5 -3.0 2.5 95 102 A E E - 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