==== 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 1B16 . COMPND 2 MOLECULE: PROTEIN (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) . 19243.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 384 75.6 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 . 50 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 11.2 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 . 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 0 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 55 0, 0.0 2,-0.7 0, 0.0 227,-0.1 0.000 360.0 360.0 360.0 129.1 28.3 1.9 -9.4 2 2 A D - 0 0 105 1,-0.1 224,-0.0 2,-0.1 26,-0.0 -0.920 360.0-159.2 -97.1 114.7 28.7 0.1 -12.7 3 3 A L > + 0 0 1 -2,-0.7 3,-2.4 2,-0.1 28,-0.3 0.623 49.9 123.0 -77.4 -11.7 27.3 -3.3 -11.9 4 4 A T T 3 S+ 0 0 49 1,-0.3 26,-0.3 26,-0.1 25,-0.2 -0.288 87.3 0.3 -53.6 129.2 29.2 -5.0 -14.8 5 5 A N T 3 S+ 0 0 107 24,-2.8 -1,-0.3 1,-0.2 25,-0.2 0.585 101.2 138.8 67.9 17.6 31.4 -7.8 -13.4 6 6 A K < - 0 0 51 -3,-2.4 25,-2.0 23,-0.1 26,-1.4 -0.422 51.5-128.7 -91.1 158.7 30.3 -7.2 -9.8 7 7 A N E -a 32 0A 7 24,-0.2 79,-2.5 23,-0.2 80,-1.5 -0.962 29.4-176.5-107.7 124.3 29.5 -9.7 -7.1 8 8 A V E -ab 33 87A 1 24,-2.4 26,-3.0 -2,-0.5 2,-0.5 -0.971 18.6-158.2-127.2 132.8 26.2 -9.2 -5.3 9 9 A I E -ab 34 88A 0 78,-2.5 80,-2.6 -2,-0.4 2,-0.5 -0.946 15.0-169.9-105.1 126.1 24.6 -11.1 -2.4 10 10 A F E > -ab 35 89A 0 24,-2.8 26,-2.2 -2,-0.5 3,-0.8 -0.932 8.8-157.7-124.4 105.6 20.8 -10.6 -2.2 11 11 A V E 3 S+ab 36 90A 4 78,-2.9 80,-1.8 -2,-0.5 26,-0.2 -0.738 85.7 11.4 -78.7 126.0 18.9 -11.8 0.8 12 12 A A T > S+ 0 0 14 24,-3.0 3,-0.7 -2,-0.5 -1,-0.2 0.851 79.9 152.3 71.0 47.3 15.2 -12.4 -0.1 13 13 A A T < + 0 0 0 -3,-0.8 9,-0.3 23,-0.5 24,-0.1 0.586 61.0 60.4 -78.6 -10.8 15.8 -12.1 -3.8 14 14 A L T 3 S+ 0 0 18 4,-0.1 -1,-0.2 22,-0.1 23,-0.1 0.426 80.0 96.1-110.4 6.7 12.9 -14.4 -4.8 15 15 A G S <> S- 0 0 40 -3,-0.7 4,-2.8 76,-0.0 5,-0.3 0.004 95.8 -79.6 -76.9-167.9 9.9 -12.5 -3.4 16 16 A G H > S+ 0 0 26 2,-0.2 4,-1.5 1,-0.2 5,-0.2 0.973 131.2 27.8 -63.0 -59.4 7.7 -10.1 -5.4 17 17 A I H > S+ 0 0 33 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.919 121.1 57.8 -67.0 -44.8 10.0 -7.1 -5.3 18 18 A G H > S+ 0 0 4 -6,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.879 106.6 45.7 -50.1 -55.2 13.1 -9.2 -5.0 19 19 A L H X S+ 0 0 18 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.899 113.0 48.7 -70.2 -35.5 12.5 -11.2 -8.2 20 20 A D H X S+ 0 0 22 -4,-1.5 4,-1.5 -5,-0.3 -1,-0.2 0.888 113.9 47.9 -68.2 -33.4 11.7 -8.2 -10.3 21 21 A T H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.945 111.7 51.0 -65.3 -43.2 14.8 -6.5 -8.9 22 22 A S H X S+ 0 0 0 -4,-2.9 4,-2.6 -9,-0.3 5,-0.2 0.878 104.7 56.0 -61.2 -42.1 16.8 -9.7 -9.6 23 23 A R H X S+ 0 0 55 -4,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.917 112.8 42.4 -55.4 -46.3 15.5 -9.8 -13.2 24 24 A E H X S+ 0 0 37 -4,-1.5 4,-0.6 2,-0.2 -2,-0.2 0.897 111.5 55.4 -68.3 -40.5 16.9 -6.2 -13.7 25 25 A L H ><>S+ 0 0 0 -4,-2.6 3,-1.4 1,-0.2 5,-0.5 0.912 104.9 51.2 -59.7 -45.7 20.2 -7.0 -11.8 26 26 A V H ><5S+ 0 0 0 -4,-2.6 3,-1.7 1,-0.3 -1,-0.2 0.850 101.6 61.9 -70.3 -22.9 21.1 -10.0 -14.0 27 27 A K H 3<5S+ 0 0 102 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.724 93.1 67.4 -66.9 -19.9 20.6 -7.8 -17.2 28 28 A R T <<5S- 0 0 48 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.382 113.7-115.8 -84.7 4.7 23.4 -5.6 -15.8 29 29 A N T < 5 - 0 0 60 -3,-1.7 -24,-2.8 -25,-0.2 -3,-0.1 0.888 41.7-173.7 68.8 43.1 26.0 -8.5 -16.4 30 30 A L < - 0 0 4 -5,-0.5 26,-0.2 -26,-0.3 -23,-0.2 -0.305 24.7-138.1 -51.9 153.4 27.0 -9.2 -12.8 31 31 A K S S+ 0 0 120 -25,-2.0 25,-2.3 1,-0.3 2,-0.4 0.934 87.6 11.3 -77.7 -57.0 29.8 -11.7 -12.4 32 32 A N E -ac 7 56A 18 -26,-1.4 -24,-2.4 23,-0.2 2,-0.5 -0.993 60.8-170.8-127.7 133.4 28.3 -13.5 -9.5 33 33 A F E -ac 8 57A 0 23,-2.5 25,-2.4 -2,-0.4 2,-0.6 -0.982 11.5-166.7-122.9 108.1 24.7 -13.2 -8.1 34 34 A V E -ac 9 58A 2 -26,-3.0 -24,-2.8 -2,-0.5 2,-0.5 -0.911 4.5-158.5-104.8 113.1 24.3 -15.1 -4.8 35 35 A I E -ac 10 59A 0 23,-2.9 25,-2.7 -2,-0.6 2,-0.5 -0.813 8.7-174.0 -96.5 122.0 20.7 -15.6 -3.7 36 36 A L E +ac 11 60A 1 -26,-2.2 -24,-3.0 -2,-0.5 -23,-0.5 -0.976 24.1 147.6-112.9 112.3 20.1 -16.2 -0.0 37 37 A D E - c 0 61A 33 23,-1.6 25,-2.2 -2,-0.5 3,-0.1 -0.971 55.7-113.0-147.9 165.6 16.4 -17.0 0.6 38 38 A R S S+ 0 0 140 -2,-0.3 2,-0.4 23,-0.2 25,-0.1 0.856 101.5 21.4 -70.2 -37.7 14.3 -19.1 3.0 39 39 A V S S- 0 0 86 23,-0.1 2,-0.2 22,-0.1 -1,-0.2 -0.998 84.4-117.3-133.0 134.9 13.0 -21.5 0.4 40 40 A E - 0 0 97 -2,-0.4 21,-0.0 -3,-0.1 -2,-0.0 -0.508 20.0-161.2 -70.1 144.1 14.5 -22.3 -3.0 41 41 A N > - 0 0 61 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.890 7.1-174.7-126.2 100.5 12.4 -21.6 -6.1 42 42 A P H > S+ 0 0 90 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.815 83.4 58.4 -68.3 -29.9 13.7 -23.5 -9.1 43 43 A T H > S+ 0 0 112 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.951 109.1 44.5 -60.2 -49.7 11.3 -21.8 -11.5 44 44 A A H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.899 111.8 52.4 -63.3 -41.3 12.7 -18.3 -10.6 45 45 A L H X S+ 0 0 9 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.920 110.5 48.6 -61.8 -44.6 16.3 -19.6 -10.8 46 46 A A H X S+ 0 0 62 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.893 110.5 51.8 -58.4 -41.6 15.6 -21.0 -14.3 47 47 A E H X S+ 0 0 73 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.927 110.5 47.3 -61.8 -46.2 14.0 -17.7 -15.3 48 48 A L H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.886 110.9 51.4 -66.1 -40.3 17.0 -15.6 -14.2 49 49 A K H < S+ 0 0 100 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.899 109.1 51.3 -65.2 -35.9 19.4 -17.9 -15.9 50 50 A A H < S+ 0 0 80 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.857 105.3 56.7 -66.5 -34.6 17.5 -17.6 -19.2 51 51 A I H < S+ 0 0 51 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.934 131.4 2.6 -62.5 -43.7 17.5 -13.8 -18.9 52 52 A N >< - 0 0 10 -4,-1.7 3,-1.4 3,-0.1 -1,-0.3 -0.691 59.2-176.2-149.6 96.2 21.4 -13.8 -18.8 53 53 A P T 3 S+ 0 0 108 0, 0.0 4,-0.1 0, 0.0 -3,-0.1 0.679 81.1 71.0 -63.1 -17.5 23.3 -17.1 -19.1 54 54 A K T 3 S+ 0 0 155 -28,-0.1 2,-0.3 2,-0.1 -5,-0.1 0.765 79.4 87.8 -72.5 -27.4 26.6 -15.2 -18.5 55 55 A V S < S- 0 0 9 -3,-1.4 2,-0.9 -7,-0.2 -23,-0.2 -0.561 78.9-131.4 -75.9 135.7 25.9 -14.5 -14.8 56 56 A N E -c 32 0A 86 -25,-2.3 -23,-2.5 -2,-0.3 2,-0.6 -0.791 31.8-169.6 -83.6 104.0 27.0 -17.1 -12.3 57 57 A I E +c 33 0A 13 -2,-0.9 2,-0.3 -25,-0.2 -23,-0.2 -0.887 8.2 176.3-104.7 120.5 23.8 -17.5 -10.3 58 58 A T E -c 34 0A 45 -25,-2.4 -23,-2.9 -2,-0.6 2,-0.4 -0.857 15.2-148.7-123.5 159.7 23.9 -19.5 -7.1 59 59 A F E -c 35 0A 33 -2,-0.3 2,-0.4 -25,-0.2 -23,-0.2 -0.988 11.5-179.3-130.1 134.5 21.4 -20.2 -4.3 60 60 A H E -c 36 0A 32 -25,-2.7 -23,-1.6 -2,-0.4 2,-0.2 -0.999 33.1-118.0-129.0 133.5 21.9 -20.8 -0.5 61 61 A T E +c 37 0A 104 -2,-0.4 2,-0.3 -25,-0.2 -23,-0.2 -0.470 44.8 170.0 -60.3 130.6 19.1 -21.6 1.9 62 62 A Y - 0 0 13 -25,-2.2 2,-0.5 -2,-0.2 -50,-0.1 -0.906 25.2-169.4-154.7 125.9 19.0 -18.8 4.5 63 63 A D > - 0 0 47 -2,-0.3 3,-1.9 -25,-0.1 -26,-0.0 -0.959 18.4-147.5-114.6 120.2 16.6 -17.8 7.2 64 64 A V T 3 S+ 0 0 12 -2,-0.5 49,-0.1 1,-0.3 50,-0.1 0.586 90.8 72.6 -67.3 -7.6 17.3 -14.4 8.7 65 65 A T T 3 S+ 0 0 60 48,-0.0 -1,-0.3 2,-0.0 3,-0.1 0.469 73.8 106.8 -89.0 -0.4 16.1 -15.5 12.1 66 66 A V S < S- 0 0 28 -3,-1.9 5,-0.1 1,-0.1 47,-0.0 -0.353 84.6 -85.9 -70.3 159.9 19.1 -17.7 12.8 67 67 A P >> - 0 0 72 0, 0.0 4,-1.5 0, 0.0 3,-1.1 -0.253 39.0-108.4 -64.5 155.9 21.7 -16.5 15.2 68 68 A V H 3> S+ 0 0 42 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.837 117.3 61.2 -57.3 -35.0 24.5 -14.2 14.0 69 69 A A H 3> S+ 0 0 65 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.858 103.0 51.1 -61.4 -35.2 27.1 -17.0 14.3 70 70 A E H <> S+ 0 0 111 -3,-1.1 4,-1.8 2,-0.2 -1,-0.2 0.891 109.6 49.8 -69.0 -38.1 25.2 -19.0 11.7 71 71 A S H X S+ 0 0 0 -4,-1.5 4,-2.6 1,-0.2 5,-0.2 0.904 109.8 51.7 -63.5 -43.1 25.1 -16.0 9.3 72 72 A K H X S+ 0 0 63 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.909 107.1 53.6 -58.9 -42.0 28.8 -15.6 9.8 73 73 A K H X S+ 0 0 154 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.923 112.8 42.8 -60.2 -45.3 29.4 -19.3 8.9 74 74 A L H X S+ 0 0 30 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.942 115.4 47.6 -67.4 -47.6 27.5 -19.0 5.7 75 75 A L H X S+ 0 0 2 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.872 105.7 60.3 -64.2 -35.5 29.0 -15.6 4.6 76 76 A K H X S+ 0 0 128 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.917 107.3 45.7 -55.8 -47.2 32.5 -16.9 5.4 77 77 A K H X S+ 0 0 101 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.901 112.7 49.2 -67.2 -39.1 32.1 -19.6 2.8 78 78 A I H X S+ 0 0 2 -4,-2.0 4,-2.6 1,-0.2 5,-0.3 0.956 113.6 46.3 -64.5 -46.3 30.7 -17.3 0.2 79 79 A F H X S+ 0 0 21 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.877 111.9 52.6 -59.7 -40.2 33.5 -14.8 0.7 80 80 A D H < S+ 0 0 133 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.951 113.6 42.2 -62.5 -49.7 36.0 -17.6 0.6 81 81 A Q H < S+ 0 0 120 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.903 125.7 32.8 -62.0 -45.0 34.7 -18.9 -2.7 82 82 A L H < S- 0 0 31 -4,-2.6 2,-1.7 -5,-0.2 -1,-0.2 0.619 87.3-148.9 -87.8 -22.5 34.3 -15.5 -4.4 83 83 A K S < S+ 0 0 183 -4,-2.0 2,-0.3 -5,-0.3 -1,-0.1 -0.300 75.9 36.7 78.4 -54.2 37.2 -13.7 -2.7 84 84 A T - 0 0 77 -2,-1.7 2,-0.4 -6,-0.1 -4,-0.0 -0.930 59.8-164.4-126.6 149.4 35.3 -10.4 -2.9 85 85 A V - 0 0 6 -2,-0.3 -77,-0.2 1,-0.1 3,-0.1 -0.996 2.2-172.1-127.2 134.2 31.7 -9.2 -2.5 86 86 A D + 0 0 50 -79,-2.5 46,-0.6 -2,-0.4 2,-0.4 0.834 67.0 17.6 -91.1 -42.0 30.7 -5.7 -3.8 87 87 A I E -bd 8 132A 1 -80,-1.5 -78,-2.5 44,-0.1 2,-0.4 -0.999 53.7-160.6-141.1 138.3 27.1 -5.3 -2.6 88 88 A L E -bd 9 133A 0 44,-2.5 46,-2.9 -2,-0.4 2,-0.5 -0.989 10.7-162.5-113.8 129.2 24.8 -6.9 0.0 89 89 A I E -bd 10 134A 0 -80,-2.6 -78,-2.9 -2,-0.4 2,-0.8 -0.977 3.4-159.3-112.0 122.7 21.0 -6.4 -0.3 90 90 A N E +bd 11 135A 3 44,-2.3 46,-2.6 -2,-0.5 -78,-0.1 -0.880 29.1 151.6-100.2 104.2 19.0 -7.1 2.8 91 91 A G + 0 0 15 -80,-1.8 -79,-0.1 -2,-0.8 -73,-0.1 0.336 16.5 130.0-115.7 2.0 15.4 -7.7 1.5 92 92 A A + 0 0 24 14,-0.1 2,-0.3 -77,-0.0 19,-0.1 -0.366 27.3 150.0 -70.8 138.3 13.6 -10.0 4.0 93 93 A G - 0 0 35 -2,-0.1 2,-0.3 2,-0.0 10,-0.1 -0.964 26.6-166.8-162.1 145.8 10.2 -9.0 5.2 94 94 A I - 0 0 39 -2,-0.3 2,-0.4 9,-0.2 13,-0.1 -0.934 11.2-152.2-126.6 154.8 6.8 -10.3 6.5 95 95 A L + 0 0 18 -2,-0.3 98,-0.3 93,-0.1 2,-0.1 -0.925 49.0 114.7-127.8 103.1 3.6 -8.4 7.0 96 96 A D > - 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