==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 25-NOV-98 1B14 . 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) . 18059.0 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 . 8 1.6 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 . 1 0.2 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 . 52 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 170 33.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.4 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 2 2 0 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 1 0 1 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 61 0, 0.0 2,-0.6 0, 0.0 227,-0.1 0.000 360.0 360.0 360.0 115.1 27.8 2.5 -9.7 2 2 A D - 0 0 104 1,-0.1 26,-0.0 2,-0.1 224,-0.0 -0.851 360.0-157.8 -90.1 120.8 28.2 0.2 -12.6 3 3 A L > + 0 0 1 -2,-0.6 3,-2.1 2,-0.1 28,-0.3 0.589 50.6 123.7 -82.3 -11.3 26.8 -3.2 -11.8 4 4 A T T 3 S- 0 0 51 1,-0.3 26,-0.3 26,-0.1 25,-0.2 -0.280 87.4 -2.1 -55.6 122.6 28.8 -5.1 -14.5 5 5 A N T 3 S+ 0 0 93 24,-3.0 -1,-0.3 1,-0.2 2,-0.2 0.678 99.7 143.2 67.3 20.1 30.9 -7.8 -12.9 6 6 A K < - 0 0 55 -3,-2.1 25,-1.3 23,-0.1 26,-1.1 -0.575 51.4-128.4 -85.6 156.7 29.8 -6.9 -9.4 7 7 A N E -a 32 0A 0 -2,-0.2 79,-2.6 24,-0.2 80,-1.9 -0.931 31.7-175.5-107.6 116.0 29.1 -9.5 -6.7 8 8 A V E -ab 33 87A 1 24,-2.9 26,-3.0 -2,-0.6 2,-0.5 -0.924 17.9-160.2-118.0 132.0 25.7 -9.0 -5.2 9 9 A I E -ab 34 88A 0 78,-3.0 80,-2.7 -2,-0.4 2,-0.6 -0.958 12.3-169.2-104.2 126.1 24.1 -10.7 -2.3 10 10 A F E > -ab 35 89A 0 24,-3.5 26,-2.3 -2,-0.5 3,-0.8 -0.931 9.9-152.9-120.2 107.7 20.3 -10.4 -2.2 11 11 A V E 3 S+ab 36 90A 3 78,-3.7 80,-1.4 -2,-0.6 26,-0.2 -0.708 85.9 4.1 -74.8 119.8 18.5 -11.5 0.9 12 12 A A T > S+ 0 0 15 24,-3.9 3,-0.7 -2,-0.6 -1,-0.3 0.926 79.4 157.6 70.9 49.4 15.0 -12.5 0.0 13 13 A A T < + 0 0 0 -3,-0.8 9,-0.4 23,-0.3 8,-0.1 0.581 61.2 64.0 -73.7 -13.3 15.5 -12.0 -3.7 14 14 A L T 3 S+ 0 0 12 4,-0.1 -1,-0.2 22,-0.1 30,-0.1 0.326 79.7 98.4-108.3 9.8 12.6 -14.4 -4.7 15 15 A G S <> S- 0 0 36 -3,-0.7 4,-3.8 76,-0.0 5,-0.4 -0.288 93.1 -79.8 -89.7 176.2 9.6 -12.5 -3.2 16 16 A G H > S+ 0 0 28 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.891 130.9 24.9 -45.0 -63.9 7.2 -10.2 -5.0 17 17 A I H > S+ 0 0 32 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.872 123.1 57.7 -68.3 -38.9 9.3 -7.1 -5.1 18 18 A G H > S+ 0 0 5 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.881 103.8 49.4 -53.7 -51.1 12.5 -9.1 -4.8 19 19 A L H X S+ 0 0 23 -4,-3.8 4,-2.7 2,-0.2 -1,-0.2 0.941 112.2 47.5 -68.1 -43.4 11.9 -11.2 -7.9 20 20 A D H X S+ 0 0 20 -4,-1.3 4,-1.0 -5,-0.4 -1,-0.2 0.839 114.1 47.3 -64.6 -34.6 11.1 -8.2 -10.1 21 21 A T H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.874 111.0 53.0 -67.9 -40.0 14.2 -6.4 -8.7 22 22 A S H X S+ 0 0 0 -4,-2.9 4,-2.6 -9,-0.4 5,-0.2 0.885 103.0 57.1 -64.4 -38.8 16.2 -9.6 -9.4 23 23 A R H X S+ 0 0 54 -4,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.890 111.6 42.9 -58.3 -40.6 15.0 -9.7 -13.0 24 24 A E H < S+ 0 0 27 -4,-1.0 4,-0.5 2,-0.2 -2,-0.2 0.887 111.8 53.2 -74.2 -40.3 16.4 -6.2 -13.5 25 25 A L H >< S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.2 5,-0.4 0.887 105.3 53.7 -61.6 -43.9 19.7 -6.9 -11.6 26 26 A V H >< S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.3 4,-0.3 0.869 99.6 62.5 -66.6 -29.1 20.5 -10.0 -13.7 27 27 A K T 3< S+ 0 0 94 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.725 90.6 72.7 -59.5 -20.2 20.2 -7.9 -16.9 28 28 A R T < S- 0 0 42 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.320 110.2-114.1 -80.2 1.5 23.1 -5.8 -15.6 29 29 A N < - 0 0 66 -3,-1.6 -24,-3.0 -25,-0.2 -23,-0.1 0.916 44.9-176.1 69.1 41.5 25.7 -8.5 -16.2 30 30 A L - 0 0 0 -5,-0.4 26,-0.2 -26,-0.3 3,-0.2 -0.400 26.4-140.6 -56.1 143.1 26.6 -9.2 -12.6 31 31 A K S S+ 0 0 96 -25,-1.3 25,-2.9 -28,-0.3 2,-0.4 0.962 87.8 12.7 -59.3 -69.3 29.5 -11.6 -12.1 32 32 A N E -ac 7 56A 15 -26,-1.1 -24,-2.9 23,-0.2 2,-0.6 -0.943 59.6-172.8-123.3 129.8 27.8 -13.3 -9.1 33 33 A F E -ac 8 57A 0 23,-2.7 25,-3.1 -2,-0.4 2,-0.6 -0.974 13.9-167.0-121.0 104.8 24.2 -12.9 -7.9 34 34 A V E -ac 9 58A 1 -26,-3.0 -24,-3.5 -2,-0.6 2,-0.5 -0.925 2.9-159.9-101.6 115.7 23.9 -14.7 -4.6 35 35 A I E -ac 10 59A 0 23,-4.2 25,-2.9 -2,-0.6 2,-0.5 -0.844 7.5-174.0 -98.9 119.6 20.3 -15.2 -3.4 36 36 A L E +ac 11 60A 0 -26,-2.3 -24,-3.9 -2,-0.5 -23,-0.3 -0.977 22.9 148.1-109.5 116.1 19.7 -15.9 0.3 37 37 A D E - c 0 61A 28 23,-1.6 25,-2.5 -2,-0.5 26,-0.1 -0.945 54.1-121.3-145.8 162.3 16.1 -16.7 1.0 38 38 A R S S+ 0 0 141 -2,-0.3 2,-0.4 23,-0.2 25,-0.1 0.859 97.8 35.8 -69.3 -42.8 14.3 -18.9 3.5 39 39 A V S S- 0 0 78 23,-0.1 2,-0.2 22,-0.1 -1,-0.2 -0.948 82.9-117.7-122.0 134.0 12.6 -21.0 0.9 40 40 A E - 0 0 132 -2,-0.4 3,-0.1 -3,-0.1 -2,-0.0 -0.449 19.2-170.2 -52.6 130.8 13.7 -22.2 -2.5 41 41 A N > + 0 0 64 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.812 5.9 179.2-122.5 91.2 11.7 -21.0 -5.5 42 42 A P H > S+ 0 0 88 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.876 80.6 55.0 -58.5 -41.3 13.0 -23.2 -8.4 43 43 A T H > S+ 0 0 106 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.993 111.7 42.5 -53.9 -62.8 10.6 -21.5 -10.8 44 44 A A H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.909 115.4 51.1 -50.2 -45.3 11.9 -18.1 -10.0 45 45 A L H X S+ 0 0 34 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.921 110.7 47.9 -61.2 -44.7 15.5 -19.4 -10.0 46 46 A A H X S+ 0 0 62 -4,-3.2 4,-2.4 2,-0.2 -2,-0.2 0.940 111.8 50.7 -61.6 -47.6 15.1 -21.0 -13.4 47 47 A E H X S+ 0 0 71 -4,-2.9 4,-2.3 -5,-0.2 -2,-0.2 0.963 110.6 47.9 -49.9 -57.0 13.6 -17.8 -14.8 48 48 A L H X S+ 0 0 0 -4,-2.6 4,-1.1 1,-0.2 -1,-0.2 0.877 110.5 51.9 -57.1 -43.1 16.4 -15.7 -13.5 49 49 A K H < S+ 0 0 100 -4,-2.3 3,-0.3 -5,-0.2 -1,-0.2 0.913 109.1 52.0 -59.1 -42.4 19.0 -18.1 -14.9 50 50 A A H < S+ 0 0 73 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.938 100.5 62.6 -58.6 -46.9 17.2 -17.9 -18.3 51 51 A I H < S+ 0 0 57 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.821 126.3 0.3 -54.6 -41.1 17.3 -14.1 -18.4 52 52 A N >< - 0 0 21 -4,-1.1 3,-1.4 -3,-0.3 -1,-0.3 -0.662 59.0-176.9-154.8 98.1 21.1 -13.7 -18.4 53 53 A P T 3 S+ 0 0 106 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.657 79.6 74.6 -78.0 -12.8 23.1 -16.9 -18.4 54 54 A K T 3 S+ 0 0 98 -28,-0.1 2,-0.4 2,-0.1 -5,-0.0 0.771 84.1 82.5 -58.8 -32.3 26.4 -14.9 -18.2 55 55 A V S < S- 0 0 8 -3,-1.4 2,-0.9 -6,-0.1 -23,-0.2 -0.641 82.2-132.6 -76.2 133.0 25.5 -14.2 -14.6 56 56 A N E -c 32 0A 88 -25,-2.9 -23,-2.7 -2,-0.4 2,-0.6 -0.747 25.9-162.6 -85.5 106.2 26.5 -16.8 -12.0 57 57 A I E -c 33 0A 9 -2,-0.9 2,-0.4 -25,-0.2 -23,-0.2 -0.841 9.5-177.4 -96.3 121.7 23.3 -17.2 -9.9 58 58 A T E -c 34 0A 32 -25,-3.1 -23,-4.2 -2,-0.6 2,-0.5 -0.944 10.4-158.8-120.4 142.6 23.7 -18.9 -6.5 59 59 A F E +c 35 0A 40 -2,-0.4 2,-0.4 -25,-0.2 -23,-0.2 -0.977 10.4 177.6-120.7 124.8 21.1 -19.8 -3.9 60 60 A H E -c 36 0A 26 -25,-2.9 -23,-1.6 -2,-0.5 2,-0.3 -0.976 34.7-115.4-120.2 139.9 21.7 -20.4 -0.2 61 61 A T E +c 37 0A 91 -2,-0.4 2,-0.3 -25,-0.2 -23,-0.2 -0.582 44.8 171.6 -70.3 131.7 19.0 -21.1 2.3 62 62 A Y - 0 0 13 -25,-2.5 2,-0.5 -2,-0.3 -23,-0.1 -0.915 26.3-168.3-152.3 121.9 18.8 -18.3 4.8 63 63 A D > - 0 0 40 -2,-0.3 3,-1.7 -25,-0.1 -26,-0.1 -0.960 17.7-149.2-103.1 126.0 16.5 -17.4 7.6 64 64 A V T 3 S+ 0 0 11 -2,-0.5 49,-0.2 1,-0.3 50,-0.1 0.598 90.2 73.0 -73.0 -9.4 17.2 -13.9 8.8 65 65 A T T 3 S+ 0 0 61 48,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.588 74.0 106.9 -82.4 -8.7 16.0 -14.8 12.3 66 66 A V S < S- 0 0 41 -3,-1.7 5,-0.1 1,-0.1 47,-0.0 -0.298 82.8 -91.8 -61.0 155.9 19.2 -16.9 12.9 67 67 A P >> - 0 0 70 0, 0.0 4,-1.7 0, 0.0 3,-1.0 -0.172 36.8-105.5 -68.0 153.3 21.8 -15.5 15.3 68 68 A V H 3> S+ 0 0 31 1,-0.3 4,-3.6 2,-0.2 5,-0.2 0.861 119.8 60.7 -47.9 -47.1 24.7 -13.4 13.9 69 69 A A H 3> S+ 0 0 63 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.879 105.3 49.1 -49.4 -47.0 27.2 -16.2 14.4 70 70 A E H <> S+ 0 0 94 -3,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.938 112.0 47.2 -56.9 -50.8 25.0 -18.2 11.9 71 71 A S H X S+ 0 0 0 -4,-1.7 4,-3.0 1,-0.2 -2,-0.2 0.893 111.2 52.6 -58.1 -43.3 24.9 -15.3 9.5 72 72 A K H X S+ 0 0 74 -4,-3.6 4,-2.8 2,-0.2 -2,-0.2 0.906 107.3 51.7 -56.0 -49.7 28.7 -15.0 9.9 73 73 A K H X S+ 0 0 123 -4,-2.6 4,-1.7 -5,-0.2 -2,-0.2 0.961 113.3 44.3 -49.9 -55.8 29.2 -18.7 9.1 74 74 A L H X S+ 0 0 11 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.921 114.3 49.1 -60.3 -43.0 27.2 -18.4 5.9 75 75 A L H X S+ 0 0 2 -4,-3.0 4,-3.7 1,-0.2 5,-0.3 0.900 105.5 57.6 -67.4 -41.7 28.9 -15.1 4.9 76 76 A K H X S+ 0 0 122 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.930 108.1 47.4 -40.8 -57.9 32.3 -16.5 5.5 77 77 A K H X S+ 0 0 92 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.873 114.4 46.3 -56.2 -44.5 31.6 -19.3 3.0 78 78 A I H X S+ 0 0 1 -4,-1.9 4,-2.9 2,-0.2 5,-0.3 0.946 114.9 45.9 -67.4 -46.5 30.2 -16.8 0.4 79 79 A F H X S+ 0 0 20 -4,-3.7 4,-1.7 1,-0.2 -2,-0.2 0.821 110.0 56.6 -65.1 -32.2 33.1 -14.5 0.8 80 80 A D H < S+ 0 0 92 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.942 113.6 38.2 -56.7 -54.8 35.4 -17.5 0.6 81 81 A Q H < S+ 0 0 118 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.1 0.958 129.0 30.7 -60.7 -55.6 34.1 -18.5 -2.8 82 82 A L H < S- 0 0 27 -4,-2.9 2,-1.9 -5,-0.2 -1,-0.2 0.610 85.1-153.8 -85.0 -23.1 33.6 -15.0 -4.3 83 83 A K S < S+ 0 0 140 -4,-1.7 2,-0.4 -5,-0.3 -1,-0.1 -0.174 74.8 40.9 74.4 -54.4 36.5 -13.3 -2.4 84 84 A T - 0 0 67 -2,-1.9 2,-0.4 -6,-0.1 -4,-0.0 -0.971 62.5-164.5-125.4 140.9 34.8 -9.9 -2.7 85 85 A V - 0 0 5 -2,-0.4 -77,-0.2 1,-0.1 3,-0.1 -0.997 3.5-174.3-120.7 133.5 31.1 -8.9 -2.3 86 86 A D + 0 0 49 -79,-2.6 46,-1.3 -2,-0.4 2,-0.4 0.871 66.2 21.3 -90.6 -43.8 30.2 -5.5 -3.6 87 87 A I E -bd 8 132A 0 -80,-1.9 -78,-3.0 44,-0.2 2,-0.5 -0.986 54.0-162.6-136.6 133.8 26.7 -5.1 -2.5 88 88 A L E -bd 9 133A 0 44,-2.6 46,-3.6 -2,-0.4 2,-0.5 -0.971 10.5-165.0-112.3 126.9 24.4 -6.6 0.1 89 89 A I E -bd 10 134A 1 -80,-2.7 -78,-3.7 -2,-0.5 2,-0.7 -0.983 4.1-160.0-114.4 118.7 20.6 -6.1 -0.3 90 90 A N E +bd 11 135A 4 44,-2.7 46,-3.6 -2,-0.5 -78,-0.1 -0.908 28.8 151.4 -99.5 106.4 18.5 -6.9 2.8 91 91 A G + 0 0 17 -80,-1.4 -73,-0.1 -2,-0.7 -79,-0.1 0.329 17.3 130.9-121.7 4.6 15.0 -7.5 1.5 92 92 A A + 0 0 24 14,-0.1 2,-0.3 -74,-0.0 19,-0.1 -0.358 28.9 156.1 -66.2 139.5 13.3 -9.9 4.0 93 93 A G - 0 0 36 -2,-0.1 2,-0.4 2,-0.0 10,-0.1 -0.969 26.6-167.3-162.3 142.0 9.9 -8.8 5.2 94 94 A I - 0 0 33 -2,-0.3 2,-0.5 9,-0.2 13,-0.1 -0.982 9.2-156.9-127.7 139.5 6.7 -10.1 6.6 95 95 A L + 0 0 15 -2,-0.4 98,-0.3 93,-0.1 2,-0.1 -0.947 49.2 113.6-113.7 109.6 3.4 -8.2 6.8 96 96 A D > - 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