==== 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 (NAD(A)-CHOH(D)) 13-DEC-93 1ADB . COMPND 2 MOLECULE: ALCOHOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; . AUTHOR H.LI,W.A.HALLOWS,J.S.PUNZI,K.W.PANKIEWICZ,K.A.WATANABE, . 748 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27734.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 516 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 74 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 101 13.5 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 . 1 0.1 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 . 55 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 12.2 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 5 0 1 1 4 2 4 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 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 7 1 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 88 0, 0.0 2,-0.0 0, 0.0 73,-0.0 0.000 360.0 360.0 360.0 138.5 -14.8 -11.6 1.7 2 2 A T + 0 0 122 2,-0.0 2,-0.3 1,-0.0 73,-0.1 -0.256 360.0 135.9 -74.5 175.5 -18.6 -11.2 1.3 3 3 A A - 0 0 47 71,-0.3 3,-0.1 1,-0.1 4,-0.1 -0.988 58.6-128.3 174.0-167.9 -20.3 -7.8 1.8 4 4 A G S S+ 0 0 59 -2,-0.3 2,-0.2 2,-0.1 -1,-0.1 0.121 95.5 31.3-151.9 -3.7 -22.7 -5.0 0.9 5 5 A K S S- 0 0 137 1,-0.2 -1,-0.1 24,-0.1 23,-0.1 -0.782 107.9 -19.1-144.3-171.4 -20.0 -2.3 1.1 6 6 A V - 0 0 64 -2,-0.2 2,-0.5 24,-0.1 23,-0.2 0.078 50.0-156.9 -41.0 137.8 -16.3 -1.7 0.6 7 7 A I E -A 28 0A 6 21,-2.7 21,-3.4 -4,-0.1 2,-0.6 -0.992 7.3-147.8-121.4 124.6 -14.0 -4.7 0.5 8 8 A K E +A 27 0A 128 -2,-0.5 19,-0.2 19,-0.2 2,-0.2 -0.863 38.8 143.3 -95.1 122.2 -10.4 -4.0 1.4 9 9 A C E -A 26 0A 11 17,-3.0 17,-2.2 -2,-0.6 2,-0.2 -0.777 45.4 -83.0-144.1-167.7 -8.1 -6.4 -0.6 10 10 A K E +A 25 0A 64 15,-0.3 138,-2.1 -2,-0.2 139,-0.4 -0.694 44.0 152.6-107.1 157.1 -4.9 -6.9 -2.5 11 11 A A E -AB 24 147A 0 13,-2.0 13,-2.7 -2,-0.2 2,-0.6 -0.984 45.0-102.3-171.5 166.2 -4.0 -6.1 -6.1 12 12 A A E -A 23 0A 0 134,-2.0 53,-0.4 -2,-0.3 2,-0.4 -0.939 37.2-169.2-107.0 113.2 -1.2 -5.2 -8.5 13 13 A V E -A 22 0A 1 9,-2.7 9,-2.4 -2,-0.6 2,-0.7 -0.854 15.3-149.7-103.7 133.6 -1.3 -1.5 -9.4 14 14 A L B +E 63 0B 0 49,-2.8 49,-2.4 -2,-0.4 3,-0.1 -0.960 21.5 172.5-103.8 107.7 0.9 -0.1 -12.2 15 15 A W + 0 0 63 -2,-0.7 2,-0.3 5,-0.3 -1,-0.2 0.857 67.1 11.1 -81.6 -45.1 1.6 3.4 -11.0 16 16 A E S > S- 0 0 102 4,-0.3 3,-0.6 45,-0.1 -1,-0.3 -0.984 85.3-100.3-138.3 147.6 4.1 4.3 -13.8 17 17 A E T 3 S+ 0 0 104 -2,-0.3 37,-0.2 1,-0.2 36,-0.1 -0.126 101.6 27.7 -62.1 159.3 5.1 2.7 -17.1 18 18 A K T 3 S+ 0 0 164 35,-3.3 -1,-0.2 1,-0.2 36,-0.1 0.779 102.3 106.5 54.9 37.1 8.2 0.6 -17.4 19 19 A K S < S- 0 0 99 -3,-0.6 -1,-0.2 34,-0.2 3,-0.1 -0.964 76.3 -98.0-142.2 147.0 8.0 -0.3 -13.8 20 20 A P - 0 0 92 0, 0.0 -5,-0.3 0, 0.0 -4,-0.3 -0.003 47.3 -94.8 -56.7 166.4 7.0 -3.6 -11.9 21 21 A F - 0 0 8 -7,-0.1 2,-0.6 -6,-0.1 -7,-0.2 -0.623 33.8-134.6 -84.4 149.6 3.5 -4.0 -10.5 22 22 A S E -A 13 0A 44 -9,-2.4 -9,-2.7 -2,-0.2 2,-0.7 -0.939 10.5-146.9-107.5 120.6 3.1 -3.1 -6.9 23 23 A I E +A 12 0A 48 -2,-0.6 2,-0.3 -11,-0.2 -11,-0.2 -0.849 45.4 131.3 -89.4 116.6 1.2 -5.6 -5.0 24 24 A E E -A 11 0A 14 -13,-2.7 -13,-2.0 -2,-0.7 2,-0.5 -0.879 56.4 -68.5-151.8-175.3 -0.7 -3.6 -2.4 25 25 A E E +A 10 0A 82 -2,-0.3 108,-0.6 -15,-0.2 2,-0.3 -0.745 42.6 177.2 -95.2 125.3 -4.1 -3.0 -0.7 26 26 A V E -AC 9 132A 0 -17,-2.2 -17,-3.0 -2,-0.5 2,-0.6 -0.811 28.7-124.9-119.6 162.1 -7.0 -1.4 -2.5 27 27 A E E -AC 8 131A 94 104,-1.9 104,-1.0 -2,-0.3 2,-0.6 -0.939 21.8-157.9-109.5 121.0 -10.5 -0.7 -1.5 28 28 A V E -AC 7 130A 0 -21,-3.4 -21,-2.7 -2,-0.6 102,-0.2 -0.937 15.4-139.1-103.1 120.9 -13.0 -2.2 -3.9 29 29 A A - 0 0 29 100,-1.6 3,-0.1 -2,-0.6 -24,-0.1 -0.468 25.2 -92.6 -82.1 150.3 -16.4 -0.4 -3.7 30 30 A P - 0 0 30 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.252 51.9 -95.2 -59.5 147.5 -19.8 -2.1 -3.7 31 31 A P - 0 0 17 0, 0.0 47,-0.3 0, 0.0 3,-0.1 -0.450 36.0-145.2 -69.8 133.2 -21.5 -2.4 -7.2 32 32 A K > - 0 0 94 1,-0.2 3,-1.5 -2,-0.2 45,-0.1 0.047 53.6 -38.4 -78.3-164.6 -23.9 0.2 -8.3 33 33 A A T 3 S+ 0 0 47 1,-0.3 -1,-0.2 44,-0.2 46,-0.2 -0.332 133.2 6.3 -62.6 135.1 -27.0 -0.4 -10.4 34 34 A H T 3 S+ 0 0 100 44,-3.2 120,-2.9 1,-0.2 2,-0.3 0.779 105.6 117.9 63.0 29.0 -26.3 -2.9 -13.1 35 35 A E E < -G 153 0C 4 -3,-1.5 42,-3.1 118,-0.3 2,-0.4 -0.862 49.1-152.9-123.1 158.4 -22.9 -3.7 -11.8 36 36 A V E -GH 152 76C 0 116,-2.9 116,-2.8 -2,-0.3 2,-0.5 -0.999 6.8-146.5-135.1 130.8 -21.4 -7.0 -10.5 37 37 A R E -GH 151 75C 0 38,-2.6 38,-1.7 -2,-0.4 37,-1.4 -0.884 24.4-161.1 -99.2 134.0 -18.6 -7.4 -7.9 38 38 A I E -GH 150 73C 0 112,-3.0 112,-1.7 -2,-0.5 2,-0.6 -0.963 20.1-140.9-127.4 137.0 -16.5 -10.5 -8.6 39 39 A K E -GH 149 72C 70 33,-3.3 33,-3.1 -2,-0.4 2,-0.2 -0.799 32.3-135.8 -92.5 117.6 -14.1 -12.6 -6.6 40 40 A M E + H 0 71C 0 108,-1.9 31,-0.2 -2,-0.6 3,-0.1 -0.545 30.2 172.3 -78.8 139.0 -11.3 -13.7 -8.9 41 41 A V E + 0 0 41 29,-1.8 333,-2.9 1,-0.4 2,-0.3 0.754 66.8 3.4-111.2 -42.3 -9.9 -17.2 -9.0 42 42 A A E -IH 373 70C 0 28,-1.8 28,-1.8 331,-0.2 -1,-0.4 -0.999 55.2-172.8-149.2 150.5 -7.5 -17.2 -12.0 43 43 A T E -IH 372 69C 0 329,-2.0 329,-2.5 -2,-0.3 26,-0.2 -0.996 17.2-135.2-143.2 138.3 -6.0 -14.8 -14.6 44 44 A G E -I 371 0C 0 24,-2.5 2,-0.8 -2,-0.3 24,-0.5 -0.514 18.2-127.8 -91.8 152.9 -3.9 -15.2 -17.7 45 45 A I - 0 0 2 325,-1.4 325,-0.3 -2,-0.2 2,-0.2 -0.894 34.5-178.1-100.8 104.5 -0.9 -13.0 -18.6 46 46 A C >> - 0 0 7 -2,-0.8 4,-0.8 323,-0.1 3,-0.7 -0.558 39.0-112.2 -93.8 165.5 -1.5 -11.8 -22.2 47 47 A R H 3> S+ 0 0 102 1,-0.2 4,-1.9 -2,-0.2 3,-0.2 0.796 111.1 67.3 -73.4 -21.4 0.9 -9.6 -24.1 48 48 A S H 3> S+ 0 0 26 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.782 95.1 54.4 -66.4 -29.0 -1.6 -6.7 -24.1 49 49 A D H <> S+ 0 0 0 -3,-0.7 4,-1.4 2,-0.2 -1,-0.2 0.823 109.7 49.6 -72.8 -29.3 -1.2 -6.2 -20.3 50 50 A D H X S+ 0 0 11 -4,-0.8 4,-2.5 2,-0.2 -2,-0.2 0.869 102.4 60.5 -74.1 -35.9 2.5 -6.0 -21.0 51 51 A H H X>S+ 0 0 23 -4,-1.9 6,-1.9 1,-0.2 5,-1.6 0.848 101.7 55.8 -57.7 -35.4 1.8 -3.4 -23.8 52 52 A V H ><5S+ 0 0 4 -4,-1.1 3,-1.0 2,-0.2 -1,-0.2 0.978 108.2 45.2 -61.7 -51.0 0.3 -1.3 -21.0 53 53 A V H 3<5S+ 0 0 8 -4,-1.4 -35,-3.3 1,-0.3 -2,-0.2 0.860 114.7 48.6 -65.2 -29.3 3.5 -1.5 -19.0 54 54 A S H 3<5S- 0 0 37 -4,-2.5 -1,-0.3 -37,-0.2 -2,-0.2 0.671 110.4-121.1 -83.7 -14.2 5.6 -0.7 -22.0 55 55 A G T <<5S+ 0 0 23 -4,-1.1 -3,-0.2 -3,-1.0 -4,-0.1 0.539 83.3 117.4 84.7 8.0 3.5 2.2 -23.0 56 56 A T S - 0 0 10 -42,-3.1 3,-1.5 -2,-0.3 -44,-0.2 -0.419 47.2 -61.2 -98.8 179.0 -26.0 -4.3 -7.9 78 78 A E T 3 S+ 0 0 164 -47,-0.3 -44,-3.2 1,-0.2 -1,-0.2 -0.288 118.6 16.4 -61.0 134.5 -29.5 -3.0 -8.4 79 79 A G T 3 S+ 0 0 41 1,-0.3 -1,-0.2 -46,-0.2 2,-0.2 0.355 82.7 142.6 87.0 -5.7 -31.2 -4.2 -11.5 80 80 A V < + 0 0 16 -3,-1.5 -1,-0.3 -45,-0.2 -4,-0.1 -0.470 11.8 160.1 -70.4 137.6 -28.9 -7.1 -12.5 81 81 A T + 0 0 122 -2,-0.2 -1,-0.1 -47,-0.0 3,-0.1 0.335 59.9 66.8-137.6 -1.3 -30.7 -10.1 -14.0 82 82 A T S S+ 0 0 61 1,-0.1 2,-0.3 75,-0.0 77,-0.2 0.520 103.5 29.8-103.3 -7.1 -28.1 -12.1 -15.9 83 83 A V - 0 0 3 75,-0.1 -1,-0.1 76,-0.0 6,-0.0 -0.962 60.4-158.4-146.2 162.0 -25.9 -13.3 -13.0 84 84 A R > - 0 0 182 -2,-0.3 3,-2.3 4,-0.1 -11,-0.3 -0.963 40.8 -82.3-140.2 154.4 -26.3 -14.2 -9.3 85 85 A P T 3 S+ 0 0 76 0, 0.0 -11,-0.2 0, 0.0 3,-0.1 -0.389 119.2 32.0 -59.1 126.5 -23.8 -14.4 -6.3 86 86 A G T 3 S+ 0 0 51 -13,-1.8 -12,-0.1 1,-0.4 2,-0.1 0.116 89.0 127.0 109.5 -19.2 -22.2 -17.8 -6.6 87 87 A D < - 0 0 42 -3,-2.3 -14,-2.4 -14,-0.2 -1,-0.4 -0.395 61.1-125.6 -72.6 145.3 -22.2 -18.0 -10.3 88 88 A K E +JK 72 160C 50 72,-0.5 72,-1.9 -16,-0.2 2,-0.3 -0.704 42.4 169.9 -85.5 146.0 -19.0 -18.6 -12.2 89 89 A V E -JK 71 159C 0 -18,-2.4 -18,-2.4 -2,-0.3 70,-0.2 -0.984 34.6-137.5-153.8 164.2 -18.4 -15.9 -14.8 90 90 A I E - 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