==== 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 19-MAR-98 1A71 . COMPND 2 MOLECULE: LIVER ALCOHOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; . AUTHOR T.D.COLBY,B.J.BAHNSON,J.K.CHIN,J.P.KLINMAN,B.M.GOLDSTEIN . 748 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27371.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 505 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 100 13.4 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 . 2 0.3 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 . 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 . 48 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 136 18.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 2.8 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 6 0 0 2 4 1 5 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 2 6 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 0 PARALLEL BRIDGES PER LADDER . 4 4 8 0 2 0 4 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 0 2 0 2 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 0 148 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.8 -23.7 -14.0 50.2 2 2 A T > + 0 0 57 72,-0.1 3,-2.5 3,-0.0 73,-0.1 0.435 360.0 125.0-117.1 -11.8 -22.0 -11.7 47.7 3 3 A A T 3 S+ 0 0 60 1,-0.3 3,-0.1 71,-0.1 72,-0.0 -0.272 84.4 6.6 -52.9 129.2 -25.1 -11.0 45.5 4 4 A G T 3 S+ 0 0 63 1,-0.2 -1,-0.3 72,-0.1 2,-0.3 0.429 112.3 96.5 77.2 -0.4 -25.6 -7.3 45.3 5 5 A K S < S- 0 0 125 -3,-2.5 -1,-0.2 24,-0.1 2,-0.2 -0.785 81.9 -91.2-121.1 163.4 -22.4 -6.3 47.1 6 6 A V - 0 0 69 -2,-0.3 2,-0.5 23,-0.1 23,-0.2 -0.489 39.2-147.5 -69.6 139.2 -18.9 -5.3 46.0 7 7 A I E -A 28 0A 13 21,-2.4 21,-3.4 -2,-0.2 2,-0.4 -0.939 4.5-155.5-115.0 127.6 -16.4 -8.1 45.7 8 8 A K E +A 27 0A 128 -2,-0.5 2,-0.3 19,-0.2 19,-0.2 -0.860 35.2 136.5 -97.5 138.4 -12.7 -7.8 46.4 9 9 A C E -A 26 0A 10 17,-2.3 17,-2.7 -2,-0.4 2,-0.3 -0.899 51.8 -80.2-161.7-176.7 -10.6 -10.3 44.6 10 10 A K E +A 25 0A 101 -2,-0.3 138,-2.6 15,-0.2 2,-0.3 -0.797 42.4 167.9-104.3 148.0 -7.3 -10.6 42.6 11 11 A A E -AB 24 147A 0 13,-1.9 13,-2.1 -2,-0.3 2,-0.8 -0.948 41.0-109.6-148.6 158.0 -6.9 -9.7 39.0 12 12 A A E -A 23 0A 0 134,-2.5 53,-0.5 -2,-0.3 2,-0.3 -0.897 40.7-166.3 -95.7 107.5 -3.9 -9.2 36.7 13 13 A V E -A 22 0A 0 9,-2.3 9,-2.9 -2,-0.8 2,-0.6 -0.775 14.2-147.2 -96.3 140.2 -3.8 -5.5 36.0 14 14 A L B +E 63 0B 1 49,-2.6 49,-1.9 -2,-0.3 7,-0.1 -0.964 21.6 172.1-108.2 113.5 -1.7 -4.0 33.2 15 15 A W + 0 0 64 -2,-0.6 2,-0.3 5,-0.4 -1,-0.2 0.825 66.3 9.7 -88.4 -38.6 -0.6 -0.6 34.3 16 16 A E S > S- 0 0 115 4,-0.2 3,-0.7 45,-0.1 -1,-0.2 -0.895 86.5 -93.9-135.7 166.7 1.8 0.2 31.5 17 17 A E T 3 S+ 0 0 92 -2,-0.3 37,-0.2 1,-0.2 36,-0.1 -0.440 105.1 19.8 -81.1 156.9 2.7 -1.3 28.2 18 18 A K T 3 S+ 0 0 157 35,-2.9 -1,-0.2 1,-0.2 36,-0.1 0.780 101.7 114.4 56.2 32.1 5.5 -3.8 27.9 19 19 A K S < S- 0 0 101 -3,-0.7 -1,-0.2 34,-0.1 3,-0.1 -0.899 73.5 -96.8-129.8 152.8 5.4 -4.4 31.6 20 20 A P - 0 0 90 0, 0.0 -5,-0.4 0, 0.0 -4,-0.2 -0.314 48.4 -95.8 -65.6 154.5 4.5 -7.6 33.6 21 21 A F - 0 0 9 -7,-0.1 2,-0.7 -6,-0.1 -7,-0.2 -0.358 31.7-130.8 -69.5 153.5 0.9 -8.0 34.9 22 22 A S E -A 13 0A 33 -9,-2.9 -9,-2.3 -3,-0.1 2,-1.0 -0.908 11.6-154.8-112.8 102.7 0.3 -6.9 38.4 23 23 A I E +A 12 0A 40 -2,-0.7 2,-0.3 -11,-0.2 -11,-0.2 -0.689 44.8 130.5 -76.0 104.0 -1.6 -9.6 40.4 24 24 A E E -A 11 0A 30 -13,-2.1 -13,-1.9 -2,-1.0 2,-0.1 -0.950 59.5 -70.6-150.7 169.6 -3.2 -7.5 43.1 25 25 A E E +A 10 0A 104 -2,-0.3 108,-0.4 -15,-0.2 2,-0.3 -0.404 44.8 176.9 -70.5 141.5 -6.6 -6.8 44.7 26 26 A V E -A 9 0A 1 -17,-2.7 -17,-2.3 106,-0.1 2,-0.5 -0.877 27.5-123.6-137.2 160.3 -9.4 -5.1 42.9 27 27 A E E -AC 8 131A 81 104,-2.4 104,-1.6 -2,-0.3 2,-0.6 -0.960 20.6-157.7-110.6 127.2 -13.0 -4.3 43.8 28 28 A V E -AC 7 130A 0 -21,-3.4 -21,-2.4 -2,-0.5 102,-0.2 -0.929 13.3-137.5-111.8 112.0 -15.7 -5.6 41.4 29 29 A A - 0 0 32 100,-2.1 -23,-0.1 -2,-0.6 3,-0.1 -0.278 30.7 -99.1 -63.4 148.0 -19.0 -3.7 41.6 30 30 A P - 0 0 37 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.301 52.8 -81.4 -65.0 158.9 -22.2 -5.9 41.5 31 31 A P - 0 0 19 0, 0.0 47,-0.3 0, 0.0 3,-0.1 -0.379 40.6-147.0 -68.1 132.2 -24.0 -6.2 38.1 32 32 A K > - 0 0 105 1,-0.2 3,-1.7 45,-0.2 45,-0.3 -0.216 54.1 -46.7 -81.4-176.7 -26.3 -3.5 37.0 33 33 A A T 3 S+ 0 0 44 1,-0.3 -1,-0.2 44,-0.2 46,-0.2 -0.227 132.0 7.7 -54.9 138.1 -29.4 -4.2 34.9 34 34 A H T 3 S+ 0 0 94 44,-2.3 120,-2.8 1,-0.2 2,-0.3 0.742 106.9 112.6 58.6 29.0 -28.6 -6.6 32.1 35 35 A E E < -G 153 0C 4 -3,-1.7 42,-2.1 118,-0.3 2,-0.4 -0.879 53.1-148.1-124.6 158.9 -25.1 -7.2 33.3 36 36 A V E -GH 152 76C 0 116,-3.4 116,-2.5 -2,-0.3 2,-0.6 -0.992 5.5-146.7-134.3 131.6 -23.6 -10.5 34.7 37 37 A R E -GH 151 75C 0 38,-2.5 37,-3.0 -2,-0.4 38,-1.2 -0.897 24.2-164.8-100.0 121.2 -21.0 -11.1 37.3 38 38 A I E -GH 150 73C 0 112,-3.0 112,-1.7 -2,-0.6 2,-0.7 -0.887 20.6-140.7-110.8 139.6 -19.0 -14.2 36.6 39 39 A K E -GH 149 72C 90 33,-3.0 33,-2.7 -2,-0.4 110,-0.3 -0.854 33.7-132.0 -93.5 112.6 -16.6 -16.2 38.8 40 40 A M E + H 0 71C 1 108,-2.0 31,-0.3 -2,-0.7 3,-0.1 -0.469 31.6 174.1 -70.7 139.9 -13.8 -17.1 36.4 41 41 A V E + 0 0 32 29,-2.2 333,-2.1 1,-0.4 2,-0.3 0.737 67.6 1.2-110.3 -43.9 -12.7 -20.8 36.4 42 42 A A E -IH 373 70C 0 28,-2.0 28,-2.0 331,-0.2 -1,-0.4 -0.996 57.8-174.0-148.4 146.1 -10.2 -20.9 33.6 43 43 A T E -IH 372 69C 0 329,-2.1 329,-3.4 -2,-0.3 2,-0.3 -0.999 16.3-138.0-143.0 138.6 -8.7 -18.4 31.1 44 44 A G E -I 371 0C 0 24,-3.2 2,-1.0 -2,-0.3 24,-0.5 -0.700 17.1-123.6 -98.2 152.4 -6.4 -18.9 28.1 45 45 A I - 0 0 3 325,-1.7 325,-0.3 -2,-0.3 2,-0.2 -0.797 34.0-176.0 -96.4 96.8 -3.5 -16.8 27.0 46 46 A C >> - 0 0 10 -2,-1.0 3,-1.2 1,-0.1 4,-1.0 -0.587 37.6-117.1 -87.0 154.8 -4.2 -15.7 23.4 47 47 A R H 3> S+ 0 0 98 1,-0.2 4,-2.2 -2,-0.2 3,-0.2 0.837 112.6 68.0 -60.9 -31.3 -1.6 -13.7 21.5 48 48 A S H 3> S+ 0 0 23 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.780 95.1 54.8 -59.7 -28.9 -4.1 -10.8 21.3 49 49 A D H <> S+ 0 0 0 -3,-1.2 4,-1.4 2,-0.2 3,-0.4 0.910 109.5 46.8 -69.9 -41.3 -3.8 -10.3 25.1 50 50 A D H X S+ 0 0 12 -4,-1.0 4,-2.8 1,-0.2 6,-0.2 0.851 102.9 63.9 -67.0 -33.7 0.0 -9.9 24.6 51 51 A H H X>S+ 0 0 21 -4,-2.2 5,-1.7 1,-0.2 6,-1.7 0.868 101.2 52.3 -56.8 -35.6 -0.8 -7.6 21.7 52 52 A V H <5S+ 0 0 3 -4,-1.1 3,-0.4 -3,-0.4 -1,-0.2 0.935 109.0 48.4 -65.9 -44.9 -2.3 -5.3 24.4 53 53 A V H <5S+ 0 0 4 -4,-1.4 -35,-2.9 1,-0.2 -2,-0.2 0.910 115.9 44.3 -62.4 -40.1 0.9 -5.5 26.4 54 54 A S H <5S- 0 0 39 -4,-2.8 -1,-0.2 -37,-0.2 -2,-0.2 0.636 110.6-116.1 -81.8 -14.0 3.0 -4.7 23.4 55 55 A G T <5S+ 0 0 20 -4,-1.3 242,-0.3 -3,-0.4 3,-0.2 0.563 85.5 117.0 88.5 6.9 0.9 -1.9 22.0 56 56 A T S - 0 0 11 -42,-2.1 3,-1.5 -2,-0.3 -44,-0.2 -0.281 50.4 -56.2 -87.6-176.8 -28.6 -7.9 37.5 78 78 A E T 3 S+ 0 0 161 -47,-0.3 -44,-2.3 1,-0.2 -1,-0.2 -0.319 121.7 13.9 -62.0 135.4 -32.2 -6.7 36.9 79 79 A G T 3 S+ 0 0 44 1,-0.2 2,-0.3 -46,-0.2 -1,-0.2 0.412 80.9 144.5 83.2 -4.8 -33.7 -7.9 33.6 80 80 A V < + 0 0 16 -3,-1.5 -1,-0.2 1,-0.1 -4,-0.1 -0.570 12.3 163.6 -71.0 128.4 -31.2 -10.7 32.8 81 81 A T + 0 0 121 -2,-0.3 -1,-0.1 -3,-0.1 3,-0.1 0.512 59.8 62.3-122.0 -13.0 -33.0 -13.6 31.1 82 82 A T S S+ 0 0 54 1,-0.1 2,-0.3 75,-0.0 77,-0.2 0.663 106.3 30.9 -92.6 -20.7 -30.4 -15.7 29.4 83 83 A V - 0 0 1 75,-0.1 -1,-0.1 76,-0.0 6,-0.0 -0.959 60.7-166.1-137.6 153.4 -28.3 -16.8 32.4 84 84 A R > - 0 0 191 -2,-0.3 3,-1.6 -3,-0.1 -11,-0.3 -0.854 44.8 -73.9-130.7 163.6 -29.0 -17.5 36.1 85 85 A P T 3 S+ 0 0 73 0, 0.0 -11,-0.2 0, 0.0 3,-0.1 -0.335 118.1 32.4 -59.8 143.6 -26.6 -17.9 39.0 86 86 A G T 3 S+ 0 0 54 -13,-2.7 2,-0.2 1,-0.3 -12,-0.1 0.302 87.1 131.2 93.0 -10.6 -24.7 -21.2 38.9 87 87 A D < - 0 0 32 -3,-1.6 -14,-2.5 -14,-0.1 2,-0.3 -0.502 59.5-124.9 -77.6 146.5 -24.6 -21.5 35.1 88 88 A K E +J 72 0C 50 72,-0.4 72,-2.3 -16,-0.2 2,-0.3 -0.701 43.1 175.2 -85.8 138.8 -21.4 -22.3 33.3 89 89 A V E -JK 71 159C 0 -18,-2.6 -18,-2.1 -2,-0.3 70,-0.2 -0.973 32.5-140.8-145.8 162.3 -20.7 -19.6 30.7 90 90 A I E - K 0 158C 0 68,-2.2 68,-2.4 -2,-0.3 2,-0.3 -0.994 28.7-126.0-126.5 124.1 -18.3 -18.3 28.2 91 91 A P E - K 0 157C 0 0, 0.0 2,-0.8 0, 0.0 -22,-0.3 -0.579 19.6-136.6 -69.5 135.1 -17.7 -14.5 27.9 92 92 A L - 0 0 4 64,-2.5 -24,-0.1 -2,-0.3 4,-0.1 -0.838 18.3-173.8 -99.1 104.1 -18.2 -13.2 24.3 93 93 A W S S+ 0 0 24 -2,-0.8 22,-0.4 80,-0.4 -1,-0.1 0.642 89.3 49.7 -68.8 -15.1 -15.5 -10.7 23.4 94 94 A T S S- 0 0 1 20,-0.1 -1,-0.2 -3,-0.1 230,-0.1 -0.985 96.8-146.7-120.0 106.0 -17.5 -10.1 20.2 95 95 A P - 0 0 5 0, 0.0 16,-0.7 0, 0.0 229,-0.3 -0.120 12.3-147.3 -69.4 175.8 -21.1 -9.5 21.4 96 96 A Q + 0 0 26 59,-1.7 61,-0.1 227,-0.1 14,-0.1 -0.702 21.6 169.5-145.4 81.9 -24.4 -10.5 19.8 97 97 A C - 0 0 19 -2,-0.2 -1,-0.1 1,-0.1 59,-0.1 0.641 32.0-147.1 -68.0 -18.8 -26.9 -7.8 20.7 98 98 A G S S+ 0 0 43 1,-0.1 -1,-0.1 57,-0.1 -2,-0.0 0.395 80.8 77.9 66.1 -3.6 -29.3 -9.3 18.1 99 99 A K S S+ 0 0 178 4,-0.0 -1,-0.1 5,-0.0 2,-0.0 0.706 72.4 86.6-105.9 -29.6 -30.8 -5.9 17.4 100 100 A C S > S- 0 0 19 1,-0.1 4,-1.8 5,-0.0 5,-0.2 -0.257 88.3-101.4 -73.8 169.2 -28.2 -4.2 15.1 101 101 A R H > S+ 0 0 65 1,-0.2 4,-0.5 2,-0.2 7,-0.1 0.826 120.9 47.0 -53.2 -44.7 -27.8 -4.3 11.4 102 102 A V H >4 S+ 0 0 0 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.933 109.5 52.5 -68.5 -44.3 -24.9 -6.8 11.6 103 103 A C H 34 S+ 0 0 15 1,-0.3 -2,-0.2 6,-0.1 -1,-0.2 0.810 110.8 47.5 -62.8 -34.3 -26.6 -9.2 14.0 104 104 A K H 3< S+ 0 0 160 -4,-1.8 -1,-0.3 -5,-0.0 -2,-0.2 0.562 91.0 96.8 -83.9 -11.4 -29.8 -9.4 11.8 105 105 A H S << S- 0 0 44 -3,-0.9 -5,-0.0 -4,-0.5 -3,-0.0 -0.656 80.1-131.6 -78.0 134.5 -27.7 -10.0 8.7 106 106 A P S S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.760 100.9 29.4 -58.4 -25.0 -27.5 -13.7 7.9 107 107 A E S S+ 0 0 105 -5,-0.0 -5,-0.1 215,-0.0 -4,-0.1 0.827 95.8 91.6-103.7 -41.5 -23.7 -13.6 7.5 108 108 A G + 0 0 2 -6,-0.2 553,-0.1 1,-0.1 -3,-0.1 -0.231 33.3 167.4 -62.4 145.4 -22.2 -10.8 9.6 109 109 A N + 0 0 10 551,-0.3 2,-2.1 214,-0.1 215,-0.3 0.510 46.8 102.3-131.4 -16.6 -21.0 -11.5 13.1 110 110 A F - 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