==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE (NAD(A)-CHOH(D)) 16-JAN-84 6ADH . COMPND 2 MOLECULE: HOLO-LIVER ALCOHOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; . AUTHOR H.EKLUND . 748 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28249.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 450 60.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 65 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 10.3 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 . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 2 0.3 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 . 74 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.0 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 8 2 0 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 2 5 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 PARALLEL BRIDGES PER LADDER . 9 3 2 2 1 2 1 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 2 1 2 0 1 0 0 0 0 1 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 S 0 0 105 0, 0.0 2,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-177.1 -2.1 16.0 -3.9 2 2 A T + 0 0 99 3,-0.2 2,-0.4 73,-0.0 3,-0.2 0.063 360.0 92.1 96.9 165.1 -3.4 19.3 -2.6 3 3 A A S S- 0 0 55 1,-0.1 3,-0.1 -2,-0.1 4,-0.0 -0.918 82.7 -75.6 166.2-142.0 -7.1 20.0 -3.1 4 4 A G S S+ 0 0 48 -2,-0.4 -1,-0.1 1,-0.1 2,-0.1 -0.107 105.8 52.6-156.3 -39.4 -10.6 20.0 -1.9 5 5 A K S S- 0 0 163 -3,-0.2 -3,-0.2 1,-0.2 -1,-0.1 -0.372 106.9 -33.8-103.1-172.7 -11.1 16.1 -2.6 6 6 A V - 0 0 76 -2,-0.1 2,-0.3 24,-0.1 23,-0.2 -0.122 53.5-151.5 -50.2 115.3 -9.2 12.9 -1.6 7 7 A I E -A 28 0A 2 21,-2.3 21,-1.1 -3,-0.1 2,-0.6 -0.699 2.6-152.3 -85.0 139.0 -5.4 13.2 -1.3 8 8 A K E +A 27 0A 117 -2,-0.3 19,-0.2 19,-0.2 2,-0.1 -0.793 38.6 142.4-117.8 86.4 -3.4 10.0 -2.1 9 9 A C E -A 26 0A 12 17,-0.7 17,-1.7 -2,-0.6 2,-0.3 -0.181 47.1 -84.9-109.5-161.5 -0.2 10.3 -0.1 10 10 A K E +A 25 0A 69 15,-0.2 138,-0.8 -2,-0.1 139,-0.3 -0.795 42.6 159.1-114.0 153.6 2.3 8.2 1.9 11 11 A A E -A 24 0A 0 13,-2.3 13,-2.6 -2,-0.3 2,-0.4 -0.897 40.9-107.9-158.5-179.3 2.3 7.2 5.6 12 12 A A E -A 23 0A 0 -2,-0.3 53,-0.4 11,-0.3 2,-0.3 -0.819 36.5-171.1-131.9 92.2 3.6 4.7 8.2 13 13 A V E -A 22 0A 1 9,-1.7 9,-2.3 -2,-0.4 2,-0.4 -0.648 16.6-146.6 -87.0 133.4 0.9 2.4 9.3 14 14 A L B +D 63 0B 0 49,-2.0 49,-1.3 -2,-0.3 3,-0.1 -0.816 20.2 174.8 -89.9 133.8 1.3 -0.0 12.3 15 15 A W + 0 0 73 1,-0.5 2,-0.3 -2,-0.4 -1,-0.1 0.527 64.8 23.0-116.8 -10.8 -0.7 -3.1 11.4 16 16 A E S > S- 0 0 97 4,-0.2 3,-1.6 3,-0.2 -1,-0.5 -0.951 83.7-100.8-167.7 136.6 0.4 -5.1 14.3 17 17 A E T 3 S+ 0 0 102 -2,-0.3 37,-0.2 1,-0.3 36,-0.1 -0.467 106.7 15.3 -61.2 107.5 1.7 -4.7 17.8 18 18 A K T 3 S+ 0 0 169 35,-0.9 -1,-0.3 -2,-0.5 36,-0.1 0.465 99.9 107.3 103.2 9.9 5.5 -5.3 17.9 19 19 A K S < S- 0 0 99 -3,-1.6 -1,-0.4 34,-0.2 -3,-0.2 -0.822 72.4-104.2-113.3 156.4 6.2 -5.1 14.2 20 20 A P - 0 0 93 0, 0.0 -5,-0.4 0, 0.0 2,-0.3 0.015 50.3 -80.7 -63.7-175.4 8.0 -2.3 12.3 21 21 A F - 0 0 16 -7,-0.1 2,-0.8 -6,-0.1 -7,-0.2 -0.729 28.1-139.6 -97.7 141.9 6.1 0.3 10.2 22 22 A S E -A 13 0A 48 -9,-2.3 -9,-1.7 -2,-0.3 2,-0.4 -0.879 15.4-145.9 -97.4 104.4 4.9 -0.3 6.7 23 23 A I E +A 12 0A 49 -2,-0.8 2,-0.3 -11,-0.2 -11,-0.3 -0.625 44.1 152.2 -69.3 130.4 5.5 2.9 4.8 24 24 A E E -A 11 0A 22 -13,-2.6 -13,-2.3 -2,-0.4 2,-0.5 -0.838 51.1 -83.0-150.4-179.5 2.5 2.9 2.4 25 25 A E E +A 10 0A 120 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.875 46.8 162.2 -95.7 121.3 -0.1 4.4 0.2 26 26 A V E -A 9 0A 0 -17,-1.7 -17,-0.7 -2,-0.5 2,-0.5 -0.892 33.5-129.5-133.0 161.5 -3.2 5.6 2.2 27 27 A E E -AB 8 131A 81 104,-2.5 104,-0.6 -2,-0.3 2,-0.5 -0.878 15.4-154.2-129.9 110.9 -5.9 8.1 1.0 28 28 A V E -A 7 0A 0 -21,-1.1 -21,-2.3 -2,-0.5 102,-0.2 -0.696 18.8-134.1 -83.0 115.5 -6.8 11.1 3.3 29 29 A A - 0 0 30 -2,-0.5 3,-0.1 -23,-0.2 -24,-0.1 -0.371 29.2 -92.7 -73.2 149.2 -10.2 12.3 2.8 30 30 A P - 0 0 31 0, 0.0 -1,-0.1 0, 0.0 -24,-0.1 -0.217 61.4 -82.2 -57.9 151.0 -10.9 16.0 2.5 31 31 A P - 0 0 24 0, 0.0 2,-0.5 0, 0.0 45,-0.1 -0.162 33.2-131.5 -63.0 160.2 -11.9 17.6 5.9 32 32 A K - 0 0 105 1,-0.2 45,-0.2 -3,-0.1 4,-0.1 -0.983 55.3 -62.1-118.6 115.5 -15.2 17.6 7.5 33 33 A A S S+ 0 0 51 -2,-0.5 -1,-0.2 1,-0.2 121,-0.1 0.571 128.3 17.8 2.4 114.1 -16.6 20.9 8.9 34 34 A H S S+ 0 0 90 1,-0.4 120,-0.4 119,-0.1 2,-0.3 0.634 103.7 112.6 82.2 20.6 -14.3 22.2 11.6 35 35 A E - 0 0 2 118,-0.2 42,-1.2 119,-0.1 -1,-0.4 -0.809 50.5-155.4-118.8 166.6 -11.4 20.1 10.6 36 36 A V E -FG 76 152C 0 116,-3.0 116,-1.3 -2,-0.3 2,-0.3 -0.821 4.8-153.5-150.7 97.0 -8.2 21.0 9.1 37 37 A R E - G 0 151C 0 38,-0.7 37,-1.6 -2,-0.3 38,-0.4 -0.606 21.5-158.0 -74.6 136.3 -6.0 18.7 7.0 38 38 A I E -FG 73 150C 0 112,-2.0 2,-0.8 -2,-0.3 112,-0.6 -0.980 17.7-127.9-126.2 123.4 -2.4 19.7 7.3 39 39 A K E -FG 72 149C 91 33,-3.5 33,-2.7 -2,-0.4 110,-0.2 -0.630 37.6-127.7 -74.8 107.2 0.6 19.0 4.9 40 40 A M E +F 71 0C 1 108,-1.3 31,-0.2 -2,-0.8 3,-0.1 -0.402 38.0 166.0 -69.3 129.8 3.3 17.5 7.1 41 41 A V E + 0 0 42 29,-1.2 333,-3.4 1,-0.3 2,-0.3 0.807 65.4 4.8 -99.8 -68.6 6.8 19.0 7.1 42 42 A A E -FH 70 373C 0 28,-1.2 28,-1.8 331,-0.2 -1,-0.3 -0.904 58.6-169.5-129.9 155.5 8.6 17.5 10.3 43 43 A T E -F 69 0C 0 329,-2.0 329,-0.4 -2,-0.3 2,-0.4 -0.890 13.7-132.5-138.4 165.5 7.9 14.9 13.1 44 44 A G - 0 0 0 24,-1.1 2,-0.9 -2,-0.3 24,-0.5 -0.957 12.1-134.4-127.3 142.5 9.3 13.7 16.4 45 45 A I + 0 0 2 325,-0.9 325,-0.3 -2,-0.4 2,-0.1 -0.874 34.3 171.1-103.9 95.4 10.0 10.3 17.8 46 46 A C - 0 0 11 -2,-0.9 4,-0.1 323,-0.1 3,-0.1 -0.108 41.7-118.1 -82.0 177.8 8.7 10.4 21.3 47 47 A R S >> S+ 0 0 110 2,-0.2 3,-2.8 1,-0.2 4,-2.5 0.800 110.4 68.7 -94.2 -37.6 8.5 7.2 23.3 48 48 A S T 34 S+ 0 0 24 1,-0.3 -1,-0.2 2,-0.3 18,-0.1 0.405 97.4 57.7 -62.4 3.1 4.7 7.3 23.7 49 49 A D T 34 S+ 0 0 0 2,-0.1 -1,-0.3 -3,-0.1 -2,-0.2 0.603 109.2 42.9-101.8 -22.7 4.9 6.6 20.0 50 50 A D T X> S+ 0 0 12 -3,-2.8 4,-1.6 2,-0.2 3,-1.0 0.643 99.4 69.4 -94.3 -26.3 6.9 3.4 20.7 51 51 A H H 3X>S+ 0 0 21 -4,-2.5 4,-3.3 1,-0.3 5,-2.9 0.813 97.8 58.8 -60.6 -25.4 4.6 2.5 23.7 52 52 A V H 345S+ 0 0 3 -5,-0.3 -1,-0.3 3,-0.2 -2,-0.2 0.689 100.8 50.0 -77.9 -23.9 2.2 1.9 20.8 53 53 A V H <45S+ 0 0 10 -3,-1.0 -35,-0.9 -36,-0.1 -1,-0.2 0.820 122.0 35.1 -86.2 -25.9 4.3 -0.7 19.0 54 54 A S H <5S- 0 0 48 -4,-1.6 -2,-0.2 -37,-0.2 -3,-0.2 0.908 111.9-123.5 -82.0 -50.8 4.8 -2.6 22.1 55 55 A G T <5S+ 0 0 19 -4,-3.3 -3,-0.2 -5,-0.3 -4,-0.1 0.670 71.3 131.1 108.6 32.2 1.3 -1.8 23.4 56 56 A T S - 0 0 196 -2,-0.4 3,-0.6 1,-0.1 -11,-0.2 -0.778 39.3 -87.1-100.7 146.1 -6.5 29.8 7.5 85 85 A P T 3 S+ 0 0 64 0, 0.0 -11,-0.2 0, 0.0 3,-0.1 -0.192 111.3 45.4 -62.4 155.2 -4.4 27.7 4.9 86 86 A G T 3 S+ 0 0 58 -13,-1.8 2,-0.3 1,-0.4 -12,-0.1 0.299 93.1 136.9 90.7 3.7 -0.8 28.3 4.0 87 87 A D < - 0 0 29 -3,-0.6 -14,-2.4 -13,-0.0 2,-0.6 -0.598 59.9-132.4 -85.2 135.2 -0.6 28.5 7.7 88 88 A K E +I 72 0C 49 -2,-0.3 72,-1.4 -16,-0.2 2,-0.3 -0.808 40.7 166.6 -85.3 120.2 2.0 26.9 9.8 89 89 A V E -IJ 71 159C 0 -18,-2.3 -18,-1.5 -2,-0.6 70,-0.3 -0.915 30.9-140.2-131.8 156.9 0.2 25.1 12.6 90 90 A I E - J 0 158C 0 68,-3.7 68,-1.7 -2,-0.3 -20,-0.2 -0.943 27.0-120.3-126.6 117.5 1.3 22.5 15.1 91 91 A P E - J 0 157C 0 0, 0.0 2,-0.5 0, 0.0 -22,-0.4 -0.232 20.1-138.6 -55.6 143.0 -1.1 19.5 15.9 92 92 A L - 0 0 4 64,-3.0 -24,-0.1 50,-0.2 82,-0.1 -0.942 16.8-172.4-114.9 107.3 -2.4 19.0 19.6 93 93 A F S S+ 0 0 22 -2,-0.5 22,-0.4 80,-0.4 -1,-0.1 0.733 92.7 47.0 -69.4 -26.3 -2.7 15.4 21.1 94 94 A T S S- 0 0 1 20,-0.1 -1,-0.2 21,-0.1 230,-0.1 -0.934 93.6-155.1-111.6 99.7 -4.5 17.0 24.2 95 95 A P - 0 0 11 0, 0.0 16,-0.6 0, 0.0 229,-0.3 -0.050 5.9-145.4 -70.6-179.6 -7.2 19.4 22.6 96 96 A Q + 0 0 34 59,-1.9 2,-0.1 228,-0.1 14,-0.0 -0.798 27.1 151.1-130.7 174.8 -8.8 22.6 24.1 97 97 A C - 0 0 40 -2,-0.3 2,-0.0 3,-0.1 -1,-0.0 -0.407 44.2 -93.5-165.7-112.1 -12.4 23.8 23.6 98 98 A G S S+ 0 0 54 -2,-0.1 3,-0.1 6,-0.0 -2,-0.0 -0.132 90.1 33.7 163.0 94.8 -14.8 25.9 25.8 99 99 A K S S+ 0 0 150 1,-0.5 5,-0.2 -2,-0.0 -2,-0.0 -0.527 72.3 108.0 154.7 -71.6 -17.4 24.6 28.2 100 100 A C S >> S- 0 0 9 1,-0.2 3,-2.9 3,-0.1 4,-1.2 -0.109 80.9-120.8 -39.4 112.9 -16.1 21.4 29.8 101 101 A R T 34 S+ 0 0 160 1,-0.3 -1,-0.2 2,-0.2 10,-0.0 0.614 112.2 61.0 -38.6 -21.0 -15.3 22.7 33.3 102 102 A V T >4 S+ 0 0 0 2,-0.2 3,-1.0 1,-0.2 7,-0.5 0.896 104.6 46.3 -78.1 -37.8 -11.7 21.6 32.7 103 103 A C T <4 S+ 0 0 15 -3,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.753 118.7 45.3 -67.3 -23.8 -11.3 23.9 29.8 104 104 A K T 3< S+ 0 0 147 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.099 91.9 96.0-110.4 19.3 -13.0 26.5 32.1 105 105 A H S X S- 0 0 36 -3,-1.0 3,-0.7 -5,-0.2 4,-0.2 -0.868 76.4-128.8-106.8 137.9 -11.0 25.9 35.3 106 106 A P T 3 S+ 0 0 118 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.893 107.1 34.4 -57.3 -33.0 -7.9 28.2 36.1 107 107 A E T 3 S+ 0 0 102 554,-0.1 -4,-0.1 1,-0.1 -3,-0.1 -0.691 91.6 103.6-120.9 72.6 -5.8 25.1 36.7 108 108 A G < + 0 0 10 -3,-0.7 2,-0.7 -2,-0.4 -5,-0.1 0.700 25.1 161.7-108.1 -92.9 -7.0 22.4 34.3 109 109 A N + 0 0 9 -7,-0.5 2,-0.7 -4,-0.2 215,-0.3 -0.866 53.3 89.1 104.2 -81.2 -5.1 21.3 31.1 110 110 A F S S- 0 0 8 -2,-0.7 2,-0.2 575,-0.3 550,-0.1 -0.330 73.1-142.6 -54.5 90.2 -6.6 17.8 30.2 111 111 A C > - 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