==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 11-FEB-04 1SBY . COMPND 2 MOLECULE: ALCOHOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SCAPTODROSOPHILA LEBANONENSIS; . AUTHOR J.BENACH,R.MEIJERS,S.ATRIAN,R.GONZALEZ-DUARTE,V.S.LAMZIN, . 508 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19082.0 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 . 51 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 168 33.1 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 1 2 0 0 2 0 2 1 1 0 4 2 0 0 0 0 0 0 0 0 2 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 50 0, 0.0 2,-0.8 0, 0.0 227,-0.1 0.000 360.0 360.0 360.0 108.6 -5.1 1.5 42.8 2 2 A D - 0 0 105 1,-0.1 224,-0.0 2,-0.1 26,-0.0 -0.897 360.0-157.3 -83.6 111.2 -5.7 -0.2 46.1 3 3 A L > + 0 0 0 -2,-0.8 3,-2.3 2,-0.1 28,-0.3 0.617 51.9 123.1 -71.4 -11.2 -4.4 -3.7 45.2 4 4 A T T 3 S- 0 0 49 1,-0.3 26,-0.3 26,-0.1 25,-0.2 -0.305 86.8 -0.6 -52.0 127.6 -6.4 -5.3 48.0 5 5 A N T 3 S+ 0 0 100 24,-2.7 -1,-0.3 1,-0.2 25,-0.2 0.590 101.3 138.8 66.0 17.7 -8.6 -8.0 46.5 6 6 A K < - 0 0 51 -3,-2.3 25,-1.9 23,-0.1 26,-1.4 -0.503 51.4-129.8 -92.1 161.7 -7.4 -7.4 43.0 7 7 A N E -a 32 0A 4 24,-0.2 79,-2.5 -2,-0.2 80,-1.5 -0.957 28.9-175.5-109.8 122.4 -6.6 -9.9 40.3 8 8 A V E -ab 33 87A 1 24,-2.4 26,-3.1 -2,-0.5 2,-0.5 -0.977 17.7-159.4-126.4 132.6 -3.3 -9.4 38.5 9 9 A I E -ab 34 88A 0 78,-2.5 80,-2.6 -2,-0.4 2,-0.5 -0.940 13.6-169.8-103.5 128.4 -1.7 -11.3 35.6 10 10 A F E > -ab 35 89A 0 24,-2.8 26,-2.3 -2,-0.5 3,-0.8 -0.940 8.9-157.5-126.0 110.0 2.1 -10.9 35.5 11 11 A V E 3 S+ab 36 90A 5 78,-2.9 80,-1.6 -2,-0.5 26,-0.2 -0.722 86.4 11.3 -81.3 123.4 3.9 -12.1 32.4 12 12 A A T > S+ 0 0 16 24,-2.9 3,-0.8 -2,-0.5 -1,-0.3 0.854 80.3 152.2 74.0 42.8 7.6 -12.8 33.3 13 13 A A T < + 0 0 0 -3,-0.8 9,-0.4 23,-0.4 -2,-0.1 0.633 60.7 60.2 -76.1 -12.9 7.0 -12.5 37.0 14 14 A L T 3 S+ 0 0 17 4,-0.2 -1,-0.2 22,-0.1 23,-0.1 0.368 81.0 94.3-108.5 4.9 9.8 -14.8 38.0 15 15 A G S <> S- 0 0 38 -3,-0.8 4,-3.3 76,-0.0 5,-0.3 -0.012 96.0 -77.2 -79.7-168.1 12.9 -13.0 36.6 16 16 A G H > S+ 0 0 28 2,-0.2 4,-1.6 1,-0.2 5,-0.2 0.973 131.5 26.2 -62.0 -59.1 15.1 -10.7 38.6 17 17 A I H > S+ 0 0 30 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.896 122.2 58.2 -65.2 -44.4 12.9 -7.5 38.6 18 18 A G H > S+ 0 0 4 -6,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.922 107.0 44.9 -51.2 -53.3 9.8 -9.7 38.2 19 19 A L H X S+ 0 0 19 -4,-3.3 4,-2.6 2,-0.2 -1,-0.2 0.913 113.6 48.5 -69.5 -38.3 10.3 -11.7 41.3 20 20 A D H X S+ 0 0 21 -4,-1.6 4,-1.5 -5,-0.3 -1,-0.2 0.896 114.5 47.0 -67.8 -34.2 11.2 -8.7 43.5 21 21 A T H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.929 112.0 51.1 -66.1 -42.5 8.2 -6.9 42.1 22 22 A S H X S+ 0 0 0 -4,-3.0 4,-2.4 -9,-0.4 -2,-0.2 0.875 105.2 55.9 -61.1 -41.9 6.1 -10.0 42.8 23 23 A R H X S+ 0 0 54 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.915 112.9 42.3 -57.4 -42.1 7.4 -10.2 46.4 24 24 A E H X S+ 0 0 27 -4,-1.5 4,-0.6 1,-0.2 3,-0.3 0.905 111.3 55.2 -72.6 -40.7 6.1 -6.7 46.9 25 25 A L H >< S+ 0 0 0 -4,-2.8 3,-1.6 1,-0.2 5,-0.5 0.901 105.5 51.2 -56.1 -45.8 2.8 -7.3 45.1 26 26 A V H >< S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.3 -1,-0.2 0.768 97.7 66.8 -74.6 -18.6 1.9 -10.3 47.2 27 27 A K H 3< S+ 0 0 106 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.749 91.7 69.5 -63.7 -20.5 2.5 -8.2 50.3 28 28 A R T << S- 0 0 49 -3,-1.6 -1,-0.2 -4,-0.6 -2,-0.2 0.328 109.9-112.8 -85.8 5.2 -0.5 -6.2 49.1 29 29 A N < - 0 0 69 -3,-1.3 -24,-2.7 -25,-0.2 -3,-0.1 0.873 44.8-177.1 73.4 33.3 -3.3 -8.7 49.7 30 30 A L - 0 0 3 -5,-0.5 26,-0.2 -26,-0.3 -23,-0.2 -0.279 27.9-138.1 -51.0 150.0 -4.2 -9.4 46.1 31 31 A K S S+ 0 0 116 -25,-1.9 25,-2.2 1,-0.3 2,-0.4 0.948 87.7 9.2 -74.2 -55.4 -7.1 -11.9 45.6 32 32 A N E -ac 7 56A 19 -26,-1.4 -24,-2.4 23,-0.2 2,-0.5 -0.996 59.1-169.5-131.3 136.2 -5.4 -13.7 42.7 33 33 A F E -ac 8 57A 0 23,-2.5 25,-2.4 -2,-0.4 2,-0.6 -0.984 13.4-166.6-125.4 110.4 -1.9 -13.4 41.4 34 34 A V E -ac 9 58A 0 -26,-3.1 -24,-2.8 -2,-0.5 2,-0.5 -0.909 3.8-158.2-108.0 112.2 -1.5 -15.2 38.1 35 35 A I E -ac 10 59A 0 23,-3.2 25,-2.7 -2,-0.6 2,-0.6 -0.828 8.5-174.1 -95.3 124.7 2.1 -15.8 36.9 36 36 A L E +ac 11 60A 0 -26,-2.3 -24,-2.9 -2,-0.5 -23,-0.4 -0.965 25.2 144.8-116.9 106.7 2.7 -16.4 33.2 37 37 A D E - c 0 61A 34 23,-1.6 25,-1.9 -2,-0.6 26,-0.1 -0.966 57.4-112.0-144.1 166.7 6.3 -17.4 32.5 38 38 A R S S+ 0 0 137 -2,-0.3 2,-0.4 23,-0.2 -1,-0.1 0.849 100.9 24.2 -69.6 -37.3 8.3 -19.6 30.2 39 39 A V S S- 0 0 90 22,-0.1 -1,-0.2 23,-0.1 2,-0.1 -0.991 84.0-114.8-134.1 137.5 9.5 -22.0 32.9 40 40 A E - 0 0 105 -2,-0.4 -2,-0.0 -3,-0.1 -4,-0.0 -0.396 21.8-163.4 -65.4 139.3 8.0 -22.9 36.3 41 41 A N > - 0 0 57 1,-0.1 4,-2.1 -2,-0.1 5,-0.2 -0.830 7.3-176.7-126.9 94.0 10.1 -22.0 39.4 42 42 A P H > S+ 0 0 89 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.804 82.0 57.0 -63.1 -28.7 8.8 -23.9 42.4 43 43 A T H > S+ 0 0 112 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.939 108.9 45.3 -66.7 -45.1 11.2 -22.2 44.8 44 44 A A H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.903 111.7 52.6 -66.4 -40.3 9.9 -18.8 43.9 45 45 A L H X S+ 0 0 18 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.908 109.8 48.9 -59.5 -45.3 6.3 -19.9 44.1 46 46 A A H X S+ 0 0 59 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.885 110.2 52.4 -59.0 -39.8 7.0 -21.3 47.6 47 47 A E H X S+ 0 0 71 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.959 110.2 46.4 -62.9 -47.9 8.6 -18.0 48.5 48 48 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.908 111.3 51.8 -62.0 -42.4 5.6 -16.0 47.4 49 49 A K H < S+ 0 0 115 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.888 109.1 50.9 -61.8 -36.1 3.2 -18.3 49.2 50 50 A A H < S+ 0 0 80 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.838 105.6 56.2 -71.3 -30.5 5.2 -17.9 52.4 51 51 A I H < S+ 0 0 58 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.944 131.0 3.8 -68.3 -39.9 5.1 -14.1 52.1 52 52 A N >< - 0 0 15 -4,-1.9 3,-1.4 -5,-0.2 -1,-0.3 -0.691 57.0-176.7-150.9 93.4 1.4 -14.0 52.0 53 53 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.648 81.9 71.5 -58.4 -16.5 -0.7 -17.2 52.4 54 54 A K T 3 S+ 0 0 174 -28,-0.1 2,-0.3 2,-0.1 -5,-0.1 0.711 80.2 85.9 -74.7 -27.0 -3.9 -15.1 51.7 55 55 A V S < S- 0 0 10 -3,-1.4 2,-0.9 -7,-0.2 -23,-0.2 -0.628 78.3-131.8 -81.0 135.0 -3.2 -14.6 48.0 56 56 A N E -c 32 0A 89 -25,-2.2 -23,-2.5 -2,-0.3 2,-0.5 -0.809 30.2-166.8 -84.7 106.6 -4.3 -17.2 45.5 57 57 A I E +c 33 0A 18 -2,-0.9 2,-0.3 -25,-0.2 -23,-0.2 -0.880 9.5 177.2-103.5 126.3 -1.2 -17.8 43.4 58 58 A T E -c 34 0A 39 -25,-2.4 -23,-3.2 -2,-0.5 2,-0.4 -0.909 13.9-150.2-128.6 152.5 -1.4 -19.7 40.2 59 59 A F E +c 35 0A 34 -2,-0.3 2,-0.4 -25,-0.2 -23,-0.2 -0.974 12.0 178.8-121.6 139.8 1.2 -20.5 37.5 60 60 A H E -c 36 0A 42 -25,-2.7 -23,-1.6 -2,-0.4 2,-0.2 -0.997 32.9-117.6-137.0 133.1 0.8 -21.0 33.7 61 61 A T E +c 37 0A 101 -2,-0.4 2,-0.3 -25,-0.2 -23,-0.2 -0.454 44.4 169.5 -60.3 132.8 3.5 -21.8 31.2 62 62 A Y - 0 0 12 -25,-1.9 2,-0.5 -2,-0.2 -50,-0.1 -0.933 25.1-169.3-156.7 129.7 3.6 -18.9 28.7 63 63 A D > - 0 0 48 -2,-0.3 3,-1.9 -26,-0.1 -26,-0.1 -0.983 17.4-148.9-119.2 117.6 6.0 -17.9 25.9 64 64 A V T 3 S+ 0 0 10 -2,-0.5 49,-0.1 1,-0.3 50,-0.1 0.582 90.9 71.9 -67.1 -9.5 5.4 -14.5 24.5 65 65 A T T 3 S+ 0 0 59 48,-0.0 -1,-0.3 2,-0.0 3,-0.1 0.480 74.6 106.3 -85.2 0.0 6.7 -15.6 21.1 66 66 A V S < S- 0 0 28 -3,-1.9 5,-0.1 1,-0.1 47,-0.0 -0.325 84.9 -86.8 -71.4 158.0 3.6 -17.7 20.4 67 67 A P >> - 0 0 73 0, 0.0 4,-1.6 0, 0.0 3,-1.2 -0.232 39.2-107.3 -61.5 156.8 1.0 -16.5 17.9 68 68 A V H 3> S+ 0 0 44 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.865 118.1 61.4 -57.1 -36.5 -1.8 -14.2 19.2 69 69 A A H 3> S+ 0 0 67 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.851 102.9 50.4 -57.2 -38.7 -4.4 -17.0 18.9 70 70 A E H <> S+ 0 0 111 -3,-1.2 4,-1.8 2,-0.2 -1,-0.2 0.884 110.3 49.5 -69.6 -37.2 -2.4 -19.0 21.5 71 71 A S H X S+ 0 0 1 -4,-1.6 4,-2.7 1,-0.2 5,-0.3 0.919 109.5 51.8 -64.9 -43.4 -2.3 -16.1 23.8 72 72 A K H X S+ 0 0 64 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.903 107.2 54.2 -56.5 -42.0 -6.1 -15.5 23.4 73 73 A K H X S+ 0 0 144 -4,-1.9 4,-1.4 -5,-0.2 -1,-0.2 0.915 112.6 42.0 -60.4 -46.3 -6.7 -19.2 24.2 74 74 A L H X S+ 0 0 33 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.941 116.0 47.8 -67.3 -48.6 -4.8 -19.0 27.5 75 75 A L H X S+ 0 0 1 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.873 106.0 59.5 -62.9 -36.6 -6.2 -15.6 28.5 76 76 A K H X S+ 0 0 107 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.924 107.3 46.6 -55.5 -46.6 -9.7 -16.8 27.7 77 77 A K H X S+ 0 0 121 -4,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.900 111.9 49.5 -64.6 -42.6 -9.4 -19.6 30.3 78 78 A I H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.949 112.9 47.1 -63.2 -47.0 -7.9 -17.3 33.0 79 79 A F H X S+ 0 0 20 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.876 111.3 52.7 -62.3 -36.9 -10.7 -14.8 32.5 80 80 A D H < S+ 0 0 135 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.956 113.9 42.2 -61.6 -48.9 -13.2 -17.6 32.5 81 81 A Q H < S+ 0 0 114 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.908 126.2 31.6 -63.4 -46.6 -11.9 -18.9 35.8 82 82 A L H < S- 0 0 28 -4,-2.7 2,-1.8 -5,-0.2 -1,-0.2 0.628 87.4-148.7 -87.3 -20.0 -11.4 -15.5 37.5 83 83 A K S < S+ 0 0 183 -4,-2.2 2,-0.3 -5,-0.3 -1,-0.1 -0.332 76.7 37.6 72.8 -47.7 -14.3 -13.7 35.8 84 84 A T - 0 0 76 -2,-1.8 2,-0.4 -6,-0.1 -4,-0.0 -0.948 60.0-164.8-131.7 150.8 -12.3 -10.4 36.1 85 85 A V - 0 0 6 -2,-0.3 -77,-0.2 1,-0.1 3,-0.1 -0.999 1.7-172.1-130.1 133.6 -8.8 -9.3 35.8 86 86 A D + 0 0 49 -79,-2.5 46,-0.7 -2,-0.4 2,-0.4 0.838 67.4 17.8 -90.3 -42.8 -7.7 -5.9 37.1 87 87 A I E -bd 8 132A 2 -80,-1.5 -78,-2.5 44,-0.2 2,-0.4 -1.000 53.4-159.9-140.6 135.9 -4.1 -5.5 35.8 88 88 A L E -bd 9 133A 0 44,-2.5 46,-2.8 -2,-0.4 2,-0.5 -0.982 10.5-162.4-111.3 128.9 -1.9 -7.0 33.2 89 89 A I E -bd 10 134A 0 -80,-2.6 -78,-2.9 -2,-0.4 2,-0.8 -0.968 3.6-159.1-110.2 117.1 1.9 -6.6 33.7 90 90 A N E +bd 11 135A 4 44,-2.4 46,-2.7 -2,-0.5 -78,-0.1 -0.864 29.0 152.7 -98.5 102.9 3.9 -7.3 30.5 91 91 A G + 0 0 15 -80,-1.6 -79,-0.1 -2,-0.8 -1,-0.1 0.368 16.8 129.0-112.5 0.6 7.4 -8.1 31.7 92 92 A A + 0 0 24 14,-0.1 2,-0.3 -74,-0.0 19,-0.1 -0.363 28.1 148.5 -68.7 138.2 9.2 -10.3 29.2 93 93 A G - 0 0 36 -2,-0.1 2,-0.3 2,-0.0 10,-0.1 -0.964 27.4-165.2-163.3 151.5 12.6 -9.3 28.0 94 94 A I - 0 0 38 -2,-0.3 2,-0.4 9,-0.2 13,-0.1 -0.944 10.5-153.2-129.4 155.5 15.9 -10.6 26.7 95 95 A L + 0 0 18 -2,-0.3 98,-0.3 93,-0.1 2,-0.1 -0.933 48.9 115.3-131.3 101.6 19.2 -8.7 26.3 96 96 A D > - 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