==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-FEB-98 1A4U . COMPND 2 MOLECULE: ALCOHOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SCAPTODROSOPHILA LEBANONENSIS; . AUTHOR J.BENACH,S.ATRIAN,R.GONZALEZ-DUARTE,R.LADENSTEIN . 508 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19561.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 382 75.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 2.0 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 . 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 . 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 . 58 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 160 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 2 2 0 0 2 0 4 0 0 0 4 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 6 2 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 65 0, 0.0 2,-0.6 0, 0.0 227,-0.1 0.000 360.0 360.0 360.0 121.6 27.8 2.2 -10.2 2 2 A D - 0 0 104 1,-0.1 26,-0.0 2,-0.1 224,-0.0 -0.761 360.0-162.5 -87.1 120.0 28.3 -0.5 -13.0 3 3 A L > + 0 0 0 -2,-0.6 3,-2.0 2,-0.1 28,-0.2 0.496 48.1 127.5 -80.0 -3.6 26.9 -3.8 -11.9 4 4 A T T 3 S- 0 0 51 1,-0.3 26,-0.2 26,-0.1 25,-0.2 -0.343 84.1 -1.3 -58.4 127.9 28.8 -5.7 -14.6 5 5 A N T 3 S+ 0 0 91 24,-2.8 -1,-0.3 1,-0.2 2,-0.2 0.682 98.9 145.6 64.8 20.8 30.9 -8.5 -13.1 6 6 A K < - 0 0 52 -3,-2.0 25,-1.9 23,-0.2 26,-1.1 -0.601 48.3-131.4 -90.6 151.6 29.7 -7.7 -9.6 7 7 A N E -a 32 0A 2 -2,-0.2 79,-2.1 24,-0.2 80,-1.6 -0.913 31.1-175.7-103.8 120.9 29.1 -10.3 -6.9 8 8 A V E -ab 33 87A 2 24,-2.7 26,-3.4 -2,-0.6 2,-0.5 -0.942 20.0-159.2-124.9 140.2 25.8 -9.8 -5.1 9 9 A I E -ab 34 88A 0 78,-2.5 80,-2.6 -2,-0.4 2,-0.5 -0.967 13.3-170.1-114.4 128.3 24.0 -11.5 -2.2 10 10 A F E > -ab 35 89A 0 24,-3.3 26,-2.2 -2,-0.5 3,-0.8 -0.946 10.3-153.4-125.8 111.2 20.3 -11.1 -2.1 11 11 A V E 3 S+ab 36 90A 3 78,-3.1 80,-1.6 -2,-0.5 26,-0.2 -0.749 86.0 4.6 -84.6 120.1 18.4 -12.2 1.1 12 12 A A T > S+ 0 0 13 24,-2.8 3,-0.9 -2,-0.6 -1,-0.3 0.887 80.0 153.9 73.4 44.0 14.8 -13.1 0.1 13 13 A A T < + 0 0 0 -3,-0.8 9,-0.4 1,-0.2 8,-0.2 0.770 64.2 59.5 -72.5 -28.0 15.3 -12.6 -3.6 14 14 A L T 3 S+ 0 0 16 4,-0.1 2,-0.3 5,-0.1 -1,-0.2 0.295 93.8 82.5 -87.7 11.8 12.5 -15.0 -4.6 15 15 A G S X S- 0 0 34 -3,-0.9 3,-2.4 76,-0.1 4,-0.4 -0.883 93.1 -41.1-123.4 151.9 9.7 -13.2 -2.8 16 16 A G T >> S- 0 0 36 -2,-0.3 3,-1.2 1,-0.3 4,-0.7 -0.046 127.1 -4.9 42.4-129.3 7.4 -10.2 -3.5 17 17 A I H 3> S+ 0 0 28 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.650 125.3 78.5 -67.2 -14.2 9.1 -7.3 -5.1 18 18 A G H <> S+ 0 0 0 -3,-2.4 4,-2.3 1,-0.2 -1,-0.3 0.855 89.5 51.9 -63.5 -35.8 12.3 -9.3 -4.7 19 19 A L H <> S+ 0 0 30 -3,-1.2 4,-2.3 -4,-0.4 -1,-0.2 0.924 111.9 44.0 -67.9 -45.8 11.5 -11.5 -7.7 20 20 A D H X S+ 0 0 22 -4,-0.7 4,-1.3 1,-0.2 -1,-0.2 0.802 115.3 50.5 -69.3 -27.9 10.9 -8.6 -10.1 21 21 A T H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.881 109.6 50.7 -74.5 -38.7 14.0 -6.9 -8.7 22 22 A S H X S+ 0 0 0 -4,-2.3 4,-2.6 -9,-0.4 5,-0.2 0.892 105.3 56.2 -65.0 -41.0 16.0 -10.1 -9.2 23 23 A R H X S+ 0 0 57 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.906 112.0 42.9 -57.8 -42.2 14.8 -10.3 -12.8 24 24 A E H < S+ 0 0 32 -4,-1.3 3,-0.4 2,-0.2 4,-0.3 0.866 112.3 54.0 -72.6 -36.6 16.2 -6.8 -13.5 25 25 A L H >< S+ 0 0 1 -4,-2.2 3,-2.2 1,-0.2 5,-0.3 0.933 103.1 54.4 -64.1 -48.3 19.4 -7.4 -11.6 26 26 A V H >< S+ 0 0 0 -4,-2.6 3,-1.0 1,-0.3 4,-0.2 0.737 98.8 64.9 -60.1 -22.4 20.3 -10.6 -13.5 27 27 A K T 3< S+ 0 0 110 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.665 87.1 72.8 -74.1 -15.1 20.0 -8.6 -16.7 28 28 A R T < S- 0 0 60 -3,-2.2 -1,-0.2 -4,-0.3 -2,-0.2 0.296 111.1-113.0 -83.5 9.3 23.0 -6.4 -15.6 29 29 A N < - 0 0 58 -3,-1.0 -24,-2.8 -25,-0.2 -23,-0.2 0.939 45.0-174.4 60.2 53.2 25.5 -9.2 -16.2 30 30 A L - 0 0 1 -5,-0.3 26,-0.2 -4,-0.2 -23,-0.2 -0.365 25.8-138.3 -72.2 157.6 26.5 -9.9 -12.6 31 31 A K S S+ 0 0 107 -25,-1.9 25,-2.1 1,-0.3 2,-0.4 0.936 87.1 9.4 -80.6 -53.4 29.4 -12.4 -12.1 32 32 A N E -ac 7 56A 18 -26,-1.1 -24,-2.7 23,-0.2 2,-0.5 -0.993 60.4-169.1-132.1 134.8 27.7 -14.1 -9.1 33 33 A F E -ac 8 57A 0 23,-2.6 25,-2.2 -2,-0.4 2,-0.6 -0.954 12.1-166.7-124.3 106.8 24.2 -13.8 -7.8 34 34 A V E -ac 9 58A 1 -26,-3.4 -24,-3.3 -2,-0.5 2,-0.5 -0.865 2.2-161.5-101.3 118.0 23.8 -15.5 -4.4 35 35 A I E -ac 10 59A 0 23,-3.2 25,-2.7 -2,-0.6 2,-0.6 -0.865 5.5-171.6-102.3 124.7 20.2 -16.0 -3.2 36 36 A L E +ac 11 60A 2 -26,-2.2 -24,-2.8 -2,-0.5 2,-0.3 -0.957 24.5 145.0-116.6 112.8 19.6 -16.6 0.5 37 37 A D E - c 0 61A 34 23,-1.5 25,-2.5 -2,-0.6 3,-0.1 -0.960 56.5-112.8-144.3 162.9 16.0 -17.6 1.3 38 38 A R S S+ 0 0 146 -2,-0.3 2,-0.4 23,-0.2 -1,-0.1 0.939 101.2 15.7 -61.1 -51.8 14.1 -19.8 3.7 39 39 A V S S- 0 0 81 22,-0.1 -1,-0.2 23,-0.1 2,-0.1 -0.978 84.3-112.1-129.4 140.8 12.7 -22.2 1.0 40 40 A E - 0 0 94 -2,-0.4 3,-0.1 -3,-0.1 21,-0.0 -0.400 16.7-154.6 -70.1 143.0 13.8 -22.7 -2.6 41 41 A N > - 0 0 60 1,-0.1 4,-2.8 -2,-0.1 5,-0.2 -0.886 8.7-170.9-119.2 93.8 11.4 -21.7 -5.4 42 42 A P H > S+ 0 0 80 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.851 83.8 51.6 -52.8 -43.3 12.5 -23.9 -8.3 43 43 A T H > S+ 0 0 106 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.954 113.3 43.6 -62.1 -50.6 10.3 -22.1 -10.8 44 44 A A H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.914 115.2 49.4 -62.1 -42.7 11.7 -18.7 -9.9 45 45 A L H X S+ 0 0 14 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.921 111.8 48.7 -62.1 -44.8 15.2 -20.0 -9.8 46 46 A A H X S+ 0 0 59 -4,-2.8 4,-1.8 -5,-0.2 -1,-0.2 0.887 110.7 51.3 -62.7 -40.7 14.8 -21.6 -13.2 47 47 A E H X S+ 0 0 71 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.907 108.8 50.4 -64.2 -43.9 13.4 -18.4 -14.7 48 48 A L H X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 3,-0.4 0.927 110.6 48.2 -61.4 -47.1 16.2 -16.3 -13.4 49 49 A K H < S+ 0 0 89 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.887 109.7 54.2 -62.0 -37.0 18.9 -18.6 -14.9 50 50 A A H < S+ 0 0 80 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.800 102.0 59.4 -67.1 -28.8 17.0 -18.6 -18.2 51 51 A I H < S+ 0 0 61 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.913 128.7 3.1 -66.9 -44.6 17.1 -14.8 -18.3 52 52 A N >< - 0 0 24 -4,-1.4 3,-1.9 3,-0.1 -1,-0.2 -0.662 60.0-178.4-146.5 85.8 20.9 -14.6 -18.2 53 53 A P T 3 S+ 0 0 113 0, 0.0 4,-0.1 0, 0.0 -3,-0.1 0.686 80.5 74.3 -57.9 -16.3 22.8 -17.9 -18.3 54 54 A K T 3 S+ 0 0 139 -28,-0.1 2,-0.3 2,-0.1 -5,-0.1 0.805 81.6 80.9 -66.9 -30.3 26.0 -15.8 -18.1 55 55 A V S < S- 0 0 6 -3,-1.9 2,-0.9 -6,-0.1 -23,-0.2 -0.617 82.6-130.6 -81.7 132.5 25.3 -15.1 -14.5 56 56 A N E -c 32 0A 89 -25,-2.1 -23,-2.6 -2,-0.3 2,-0.6 -0.738 29.3-165.9 -83.2 108.8 26.4 -17.8 -11.9 57 57 A I E +c 33 0A 12 -2,-0.9 2,-0.4 -25,-0.2 -23,-0.2 -0.865 9.8 178.0-103.3 124.0 23.3 -18.1 -9.8 58 58 A T E -c 34 0A 39 -25,-2.2 -23,-3.2 -2,-0.6 2,-0.4 -0.942 13.0-154.7-124.1 145.6 23.5 -20.0 -6.5 59 59 A F E -c 35 0A 40 -2,-0.4 2,-0.4 -25,-0.2 -23,-0.2 -0.961 9.4-176.4-121.5 137.0 20.9 -20.6 -3.8 60 60 A H E -c 36 0A 37 -25,-2.7 -23,-1.5 -2,-0.4 2,-0.2 -1.000 32.0-116.2-132.3 132.9 21.5 -21.2 -0.1 61 61 A T E +c 37 0A 108 -2,-0.4 2,-0.3 -25,-0.2 -23,-0.2 -0.517 45.5 171.8 -67.6 130.7 18.8 -22.0 2.4 62 62 A Y - 0 0 16 -25,-2.5 2,-0.6 -2,-0.2 -50,-0.1 -0.956 27.8-164.4-151.2 127.9 18.8 -19.2 5.0 63 63 A D > - 0 0 53 -2,-0.3 3,-2.3 1,-0.1 -26,-0.1 -0.941 13.5-153.5-111.3 109.7 16.5 -18.2 7.9 64 64 A V T 3 S+ 0 0 15 -2,-0.6 49,-0.1 1,-0.3 50,-0.1 0.648 90.3 70.1 -57.7 -15.3 17.1 -14.6 8.9 65 65 A T T 3 S+ 0 0 53 48,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.517 76.1 105.6 -82.5 -3.3 15.9 -15.5 12.4 66 66 A V S < S- 0 0 35 -3,-2.3 5,-0.1 1,-0.1 47,-0.0 -0.319 83.8 -86.3 -72.6 159.3 19.0 -17.6 13.1 67 67 A P >> - 0 0 68 0, 0.0 4,-1.6 0, 0.0 3,-0.8 -0.212 37.0-109.6 -62.8 157.0 21.8 -16.3 15.5 68 68 A V H 3> S+ 0 0 26 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.833 119.1 60.7 -56.6 -34.9 24.5 -14.1 14.1 69 69 A A H 3> S+ 0 0 69 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.895 104.3 49.9 -59.8 -39.5 27.0 -17.0 14.6 70 70 A E H <> S+ 0 0 85 -3,-0.8 4,-1.8 1,-0.2 -1,-0.2 0.895 110.9 48.2 -65.5 -42.6 24.9 -19.1 12.2 71 71 A S H X S+ 0 0 1 -4,-1.6 4,-2.8 1,-0.2 5,-0.2 0.872 108.5 54.1 -66.9 -37.3 24.9 -16.3 9.7 72 72 A K H X S+ 0 0 72 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.864 106.1 54.5 -64.2 -35.3 28.7 -15.8 10.0 73 73 A K H X S+ 0 0 140 -4,-1.6 4,-1.5 -5,-0.2 -2,-0.2 0.944 112.7 40.8 -63.3 -50.0 29.1 -19.5 9.3 74 74 A L H X S+ 0 0 30 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.924 114.9 51.0 -65.5 -46.1 27.1 -19.4 6.0 75 75 A L H X S+ 0 0 4 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.865 105.6 57.0 -60.3 -36.6 28.7 -16.1 4.9 76 76 A K H X S+ 0 0 144 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.920 105.8 50.4 -60.3 -43.3 32.1 -17.5 5.5 77 77 A K H X S+ 0 0 117 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.901 112.6 46.8 -60.1 -43.7 31.4 -20.3 3.1 78 78 A I H X S+ 0 0 3 -4,-1.9 4,-3.0 1,-0.2 5,-0.3 0.920 113.9 46.1 -66.7 -46.1 30.2 -17.8 0.5 79 79 A F H X S+ 0 0 22 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.826 108.9 56.6 -66.6 -33.2 33.2 -15.5 0.9 80 80 A D H < S+ 0 0 137 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.909 115.8 37.0 -64.6 -41.0 35.6 -18.4 0.8 81 81 A Q H < S+ 0 0 120 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.918 128.3 32.5 -77.3 -46.1 34.2 -19.4 -2.6 82 82 A L H < S- 0 0 28 -4,-3.0 2,-1.6 -5,-0.2 -3,-0.2 0.727 85.0-153.2 -83.3 -26.1 33.6 -16.0 -4.1 83 83 A K S < S+ 0 0 163 -4,-2.4 2,-0.3 -5,-0.3 -1,-0.1 -0.247 73.6 37.4 80.2 -48.3 36.5 -14.2 -2.4 84 84 A T - 0 0 58 -2,-1.6 2,-0.4 -6,-0.1 -4,-0.0 -0.956 59.7-164.5-135.3 153.8 34.7 -10.9 -2.6 85 85 A V - 0 0 6 -2,-0.3 -77,-0.2 1,-0.1 3,-0.1 -0.987 2.3-172.9-136.9 123.1 31.1 -9.7 -2.3 86 86 A D + 0 0 49 -79,-2.1 46,-1.0 -2,-0.4 2,-0.4 0.856 67.4 19.4 -86.2 -39.5 30.2 -6.2 -3.6 87 87 A I E -bd 8 132A 2 -80,-1.6 -78,-2.5 44,-0.2 2,-0.5 -0.992 53.7-161.1-139.9 143.7 26.7 -5.7 -2.4 88 88 A L E -bd 9 133A 0 44,-2.3 46,-2.9 -2,-0.4 2,-0.6 -0.985 10.1-163.2-121.2 128.8 24.3 -7.2 0.1 89 89 A I E -bd 10 134A 0 -80,-2.6 -78,-3.1 -2,-0.5 2,-0.9 -0.961 4.0-159.0-115.7 116.1 20.6 -6.7 -0.3 90 90 A N E +bd 11 135A 4 44,-2.2 46,-2.5 -2,-0.6 -78,-0.1 -0.830 30.9 149.2 -96.4 102.8 18.5 -7.4 2.8 91 91 A G + 0 0 13 -80,-1.6 -73,-0.1 -2,-0.9 -1,-0.1 0.191 17.9 131.4-121.8 18.5 15.0 -8.1 1.6 92 92 A A + 0 0 20 14,-0.1 2,-0.3 15,-0.0 19,-0.1 -0.439 31.7 148.8 -70.7 143.9 13.5 -10.5 4.1 93 93 A G - 0 0 50 -2,-0.1 2,-0.3 2,-0.0 10,-0.1 -0.972 30.6-164.3-172.9 157.3 10.0 -9.4 5.3 94 94 A I - 0 0 38 -2,-0.3 2,-0.5 9,-0.2 13,-0.1 -0.992 8.4-156.7-148.6 145.2 6.6 -10.4 6.6 95 95 A L + 0 0 53 -2,-0.3 98,-0.3 12,-0.0 2,-0.1 -0.923 48.7 112.2-127.9 103.4 3.3 -8.5 6.9 96 96 A D > - 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