==== 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 1ADC . 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) . 27584.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 519 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 99 13.2 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 . 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 . 56 7.5 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 . 139 18.6 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 4 0 0 1 4 4 3 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 2 2 6 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 . 2 8 4 1 2 0 2 2 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 . 4 0 0 1 0 3 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 97 0, 0.0 73,-0.0 0, 0.0 148,-0.0 0.000 360.0 360.0 360.0 159.4 -15.0 -11.5 1.2 2 2 A T + 0 0 136 1,-0.1 2,-0.3 2,-0.1 73,-0.1 0.208 360.0 129.4 -31.3 150.4 -18.8 -11.1 1.3 3 3 A A - 0 0 45 71,-0.3 -1,-0.1 1,-0.1 3,-0.1 -0.938 58.6-136.8-177.1-166.0 -20.3 -7.6 1.5 4 4 A G S S+ 0 0 53 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 -0.019 92.7 33.6-164.9 18.1 -22.6 -4.8 0.4 5 5 A K S S- 0 0 122 1,-0.1 -1,-0.2 23,-0.1 23,-0.1 -0.946 104.4 -20.1-164.7-179.2 -19.9 -2.2 0.8 6 6 A V - 0 0 62 -2,-0.3 2,-0.4 24,-0.1 23,-0.2 0.126 50.6-162.6 -35.6 141.0 -16.2 -1.4 0.4 7 7 A I E -A 28 0A 13 21,-0.8 21,-3.8 -4,-0.1 2,-0.4 -0.993 9.8-143.4-131.2 131.8 -13.8 -4.3 0.5 8 8 A K E +A 27 0A 124 -2,-0.4 2,-0.3 19,-0.3 19,-0.2 -0.845 38.9 144.4 -94.8 135.3 -10.0 -3.9 1.1 9 9 A C E -A 26 0A 10 17,-2.2 17,-2.1 -2,-0.4 2,-0.2 -0.905 46.2 -77.2-157.0-174.7 -7.8 -6.2 -0.9 10 10 A K E +A 25 0A 51 -2,-0.3 138,-2.0 15,-0.2 139,-0.5 -0.645 45.7 160.4 -91.7 151.9 -4.7 -7.0 -2.8 11 11 A A E -AB 24 147A 0 13,-1.4 13,-3.2 -2,-0.2 2,-1.0 -0.977 44.9-109.7-166.7 154.9 -4.0 -5.8 -6.3 12 12 A A E -A 23 0A 0 134,-2.5 53,-0.6 -2,-0.3 2,-0.4 -0.840 38.7-161.9 -94.2 100.4 -1.2 -5.2 -8.8 13 13 A V E -AC 22 64A 0 9,-3.6 9,-2.3 -2,-1.0 2,-0.8 -0.752 8.7-155.7 -85.1 129.6 -1.0 -1.4 -9.1 14 14 A L E + C 0 63A 0 49,-2.4 49,-2.2 -2,-0.4 7,-0.1 -0.928 19.6 171.1-105.3 103.7 0.8 -0.0 -12.2 15 15 A W - 0 0 67 -2,-0.8 2,-0.3 5,-0.4 -1,-0.2 0.853 62.9 -0.5 -82.1 -42.3 1.9 3.4 -11.1 16 16 A E S > S- 0 0 99 4,-0.3 3,-0.5 45,-0.1 -1,-0.2 -0.947 82.9 -88.7-144.7 164.2 4.1 4.3 -14.0 17 17 A E T 3 S+ 0 0 106 -2,-0.3 37,-0.2 1,-0.2 36,-0.1 -0.439 104.0 21.9 -76.5 152.0 5.3 2.8 -17.3 18 18 A K T 3 S+ 0 0 166 35,-2.7 -1,-0.2 1,-0.3 36,-0.1 0.876 103.2 108.4 58.5 45.7 8.4 0.6 -17.6 19 19 A K S < S- 0 0 100 -3,-0.5 -1,-0.3 34,-0.1 3,-0.1 -0.960 75.1 -94.5-145.3 153.8 8.2 -0.1 -14.0 20 20 A P - 0 0 93 0, 0.0 -5,-0.4 0, 0.0 -4,-0.3 -0.212 44.8 -98.3 -68.9 161.8 7.3 -3.3 -12.0 21 21 A F - 0 0 12 -7,-0.1 2,-0.6 -6,-0.1 -7,-0.2 -0.516 31.8-137.9 -78.3 152.4 3.8 -3.9 -10.7 22 22 A S E -A 13 0A 41 -9,-2.3 -9,-3.6 -2,-0.2 2,-0.7 -0.969 9.0-144.0-114.7 114.4 3.3 -3.1 -7.1 23 23 A I E +A 12 0A 48 -2,-0.6 2,-0.2 -11,-0.3 -11,-0.2 -0.784 45.7 135.5 -80.9 114.4 1.2 -5.6 -5.2 24 24 A E E -A 11 0A 23 -13,-3.2 -13,-1.4 -2,-0.7 2,-0.4 -0.854 51.2 -69.9-150.0-174.9 -1.0 -3.6 -2.7 25 25 A E E +A 10 0A 87 -2,-0.2 108,-0.4 -15,-0.2 2,-0.3 -0.699 39.8 177.0 -89.8 135.4 -4.2 -2.9 -0.9 26 26 A V E -A 9 0A 0 -17,-2.1 -17,-2.2 -2,-0.4 2,-0.8 -0.959 31.3-127.1-136.3 149.4 -7.2 -1.3 -2.5 27 27 A E E -AD 8 131A 86 104,-1.5 2,-1.0 -2,-0.3 104,-0.5 -0.876 25.2-160.0 -96.7 108.1 -10.8 -0.4 -1.4 28 28 A V E -AD 7 130A 0 -21,-3.8 -21,-0.8 -2,-0.8 102,-0.2 -0.827 15.2-140.0 -92.7 100.2 -13.0 -2.0 -4.0 29 29 A A - 0 0 30 100,-1.2 3,-0.1 -2,-1.0 -24,-0.1 -0.138 26.5 -95.2 -57.8 151.0 -16.4 -0.2 -3.7 30 30 A P - 0 0 30 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.329 53.6 -81.8 -65.3 154.6 -19.6 -2.2 -3.9 31 31 A P - 0 0 15 0, 0.0 47,-0.3 0, 0.0 3,-0.1 -0.382 42.4-145.6 -64.8 122.0 -21.4 -2.5 -7.3 32 32 A K > - 0 0 103 -2,-0.3 3,-1.9 1,-0.2 45,-0.2 0.074 55.2 -41.7 -69.8-170.8 -23.6 0.4 -8.3 33 33 A A T 3 S+ 0 0 54 1,-0.3 -1,-0.2 44,-0.2 46,-0.2 -0.184 133.5 4.3 -54.1 148.1 -26.7 -0.2 -10.3 34 34 A H T 3 S+ 0 0 93 44,-3.3 120,-2.5 1,-0.1 -1,-0.3 0.649 107.6 114.4 45.4 27.7 -26.2 -2.7 -13.0 35 35 A E E < -G 153 0B 6 -3,-1.9 42,-3.3 118,-0.2 2,-0.3 -0.734 52.1-148.8-117.7 167.2 -22.6 -3.4 -11.9 36 36 A V E -GH 152 76B 0 116,-2.3 116,-2.4 -2,-0.3 2,-0.4 -0.996 4.9-147.4-140.6 135.2 -21.2 -6.6 -10.5 37 37 A R E -GH 151 75B 0 38,-2.5 38,-1.4 -2,-0.3 37,-1.0 -0.882 27.2-163.9-101.3 140.7 -18.3 -7.2 -8.0 38 38 A I E -GH 150 73B 0 112,-3.4 112,-1.6 -2,-0.4 2,-0.6 -0.968 22.3-133.4-135.3 145.8 -16.4 -10.4 -8.7 39 39 A K E -GH 149 72B 67 33,-3.6 33,-3.0 -2,-0.4 2,-0.7 -0.850 31.2-131.1 -97.5 118.6 -14.0 -12.6 -6.9 40 40 A M E + H 0 71B 0 108,-2.4 31,-0.3 -2,-0.6 3,-0.1 -0.632 30.4 172.6 -76.5 110.8 -11.1 -13.5 -9.1 41 41 A V E - 0 0 35 29,-1.0 333,-2.1 -2,-0.7 2,-0.3 0.947 68.6 -7.7 -80.4 -53.2 -10.2 -17.2 -9.3 42 42 A A E -IH 373 70B 0 28,-1.8 28,-2.0 331,-0.2 2,-0.3 -0.968 58.7-165.9-146.0 155.8 -7.6 -17.2 -12.1 43 43 A T E -IH 372 69B 0 329,-2.0 329,-3.6 -2,-0.3 2,-0.3 -0.993 13.5-138.3-144.7 138.7 -6.1 -14.7 -14.6 44 44 A G E -IH 371 68B 0 24,-3.2 2,-0.9 -2,-0.3 24,-0.6 -0.716 17.8-127.1 -99.3 145.5 -4.0 -15.1 -17.8 45 45 A I - 0 0 1 325,-1.0 325,-0.3 -2,-0.3 2,-0.3 -0.833 33.2-175.2 -93.6 103.0 -1.1 -12.8 -18.8 46 46 A C >> - 0 0 4 -2,-0.9 3,-1.0 323,-0.1 4,-0.9 -0.699 37.6-112.1 -93.9 152.4 -1.8 -11.7 -22.3 47 47 A R H 3> S+ 0 0 112 -2,-0.3 4,-1.3 1,-0.2 3,-0.4 0.806 111.5 68.4 -59.1 -29.8 0.7 -9.6 -24.2 48 48 A S H >> S+ 0 0 31 1,-0.2 4,-2.1 2,-0.2 3,-0.6 0.892 92.2 57.1 -55.9 -43.5 -1.6 -6.6 -24.1 49 49 A D H <> S+ 0 0 0 -3,-1.0 4,-1.4 1,-0.3 -1,-0.2 0.901 108.0 50.2 -55.9 -39.0 -1.2 -6.2 -20.4 50 50 A D H 3X S+ 0 0 9 -4,-0.9 4,-1.8 -3,-0.4 -1,-0.3 0.785 102.6 59.9 -70.2 -28.7 2.5 -5.9 -21.1 51 51 A H H XX>S+ 0 0 26 -4,-1.3 4,-2.7 -3,-0.6 5,-1.8 0.973 99.5 57.8 -63.5 -48.4 1.9 -3.3 -23.8 52 52 A V H 3<5S+ 0 0 5 -4,-2.1 3,-0.5 1,-0.3 -2,-0.2 0.914 108.9 44.6 -43.6 -55.8 0.3 -1.1 -21.2 53 53 A V H 3<5S+ 0 0 7 -4,-1.4 -35,-2.7 1,-0.3 -1,-0.3 0.814 114.1 48.6 -63.4 -33.2 3.5 -1.2 -19.1 54 54 A S H <<5S- 0 0 43 -4,-1.8 -1,-0.3 -3,-0.5 -2,-0.2 0.798 113.4-118.4 -78.0 -22.1 5.8 -0.6 -22.1 55 55 A G T <5S+ 0 0 24 -4,-2.7 3,-0.2 -3,-0.5 -3,-0.2 0.548 84.1 118.2 95.2 9.7 3.6 2.3 -23.2 56 56 A T S - 0 0 7 -42,-3.3 3,-1.7 -2,-0.4 -44,-0.2 -0.290 49.8 -62.8 -78.7 169.9 -25.8 -4.0 -8.0 78 78 A E T 3 S+ 0 0 162 -47,-0.3 -44,-3.3 1,-0.2 -1,-0.2 -0.177 118.7 15.7 -56.3 134.1 -29.4 -3.0 -8.5 79 79 A G T 3 S+ 0 0 36 1,-0.3 -1,-0.2 -46,-0.2 -46,-0.1 0.230 78.8 149.1 90.1 -19.4 -31.2 -4.1 -11.6 80 80 A V < + 0 0 21 -3,-1.7 -1,-0.3 -45,-0.2 -4,-0.1 -0.280 12.5 168.0 -48.9 132.7 -28.6 -6.8 -12.6 81 81 A T + 0 0 115 -3,-0.1 -1,-0.1 -47,-0.1 3,-0.1 0.403 60.0 59.9-127.8 -8.4 -30.6 -9.6 -14.3 82 82 A T S S+ 0 0 58 1,-0.2 2,-0.4 75,-0.0 77,-0.1 0.794 101.9 32.5 -96.5 -35.8 -28.0 -11.8 -15.9 83 83 A V - 0 0 4 75,-0.0 -1,-0.2 4,-0.0 6,-0.0 -0.977 62.6-153.5-128.5 138.6 -25.7 -13.2 -13.2 84 84 A R > - 0 0 194 -2,-0.4 3,-1.6 -3,-0.1 2,-0.3 -0.600 41.2 -82.3-101.3 166.2 -26.5 -14.1 -9.6 85 85 A P T 3 S+ 0 0 75 0, 0.0 -11,-0.2 0, 0.0 3,-0.1 -0.562 118.3 32.2 -69.4 132.3 -24.0 -14.2 -6.6 86 86 A G T 3 S+ 0 0 51 -13,-2.0 2,-0.2 1,-0.4 -12,-0.1 0.295 84.7 132.2 104.4 -9.4 -22.1 -17.5 -6.8 87 87 A D < - 0 0 41 -3,-1.6 -14,-2.0 -14,-0.1 2,-0.4 -0.509 61.0-122.5 -76.6 141.4 -22.1 -17.9 -10.5 88 88 A K E +JK 72 160B 60 72,-0.5 72,-2.6 -16,-0.2 2,-0.3 -0.736 50.4 166.6 -80.2 132.9 -18.8 -18.8 -12.2 89 89 A V E -JK 71 159B 0 -18,-2.9 -18,-2.5 -2,-0.4 70,-0.2 -0.926 37.1-133.7-144.5 175.3 -18.2 -16.0 -14.7 90 90 A I E - K 0 158B 0 68,-2.0 68,-2.3 -2,-0.3 -20,-0.2 -0.982 19.7-137.5-136.9 119.2 -15.8 -14.2 -17.1 91 91 A P E - K 0 157B 0 0, 0.0 2,-0.4 0, 0.0 -22,-0.3 -0.326 25.3-139.0 -65.2 166.1 -15.4 -10.4 -17.3 92 92 A L - 0 0 2 64,-2.5 -24,-0.1 50,-0.2 82,-0.1 -0.976 18.9-160.1-136.3 119.4 -15.2 -9.2 -21.0 93 93 A F S S+ 0 0 17 80,-0.4 22,-0.4 -2,-0.4 23,-0.1 0.698 91.1 62.1 -66.9 -15.2 -12.9 -6.5 -22.4 94 94 A T S S- 0 0 2 20,-0.1 231,-0.2 21,-0.1 -1,-0.1 -0.932 86.8-147.2-114.8 105.7 -15.3 -6.3 -25.3 95 95 A P - 0 0 4 0, 0.0 16,-0.5 0, 0.0 229,-0.4 0.130 12.7-158.6 -58.3 179.8 -18.7 -5.1 -24.1 96 96 A Q + 0 0 30 59,-0.3 60,-0.1 228,-0.1 14,-0.0 -0.082 18.9 167.4-160.4 49.8 -22.1 -6.1 -25.6 97 97 A C - 0 0 32 1,-0.2 59,-0.1 2,-0.0 57,-0.0 0.712 36.0-144.1 -37.3 -32.8 -24.5 -3.5 -24.5 98 98 A G S S+ 0 0 40 1,-0.1 -1,-0.2 57,-0.1 57,-0.0 0.295 81.6 80.2 80.2 -11.4 -27.0 -4.9 -27.0 99 99 A K S S+ 0 0 150 5,-0.0 -1,-0.1 4,-0.0 -2,-0.0 0.822 72.7 85.4 -97.7 -33.2 -28.3 -1.4 -27.9 100 100 A C S > S- 0 0 7 1,-0.1 4,-1.6 3,-0.0 5,-0.3 -0.216 87.8-103.2 -72.1 162.7 -25.7 -0.1 -30.4 101 101 A R H > S+ 0 0 115 1,-0.2 4,-1.3 2,-0.2 7,-0.1 0.782 118.9 51.7 -49.1 -45.7 -25.3 -0.5 -34.2 102 102 A V H >4 S+ 0 0 0 2,-0.2 3,-0.9 1,-0.2 -1,-0.2 0.982 109.7 46.8 -61.1 -52.6 -22.5 -3.0 -33.8 103 103 A C H 34 S+ 0 0 18 1,-0.3 -1,-0.2 6,-0.1 -2,-0.2 0.716 115.1 49.0 -62.1 -25.3 -24.4 -5.3 -31.4 104 104 A K H 3< S+ 0 0 120 -4,-1.6 -1,-0.3 -5,-0.0 -2,-0.2 0.726 93.0 89.9 -84.3 -26.3 -27.3 -5.1 -33.7 105 105 A H S << S- 0 0 28 -4,-1.3 -5,-0.0 -3,-0.9 -3,-0.0 -0.608 77.3-141.8 -74.0 125.0 -25.2 -5.9 -36.7 106 106 A P S S+ 0 0 114 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 0.736 95.1 36.2 -58.9 -22.8 -25.1 -9.7 -37.1 107 107 A E S S+ 0 0 80 -5,-0.1 -5,-0.1 215,-0.0 554,-0.0 0.918 97.4 74.6 -99.0 -55.1 -21.5 -9.5 -38.0 108 108 A G + 0 0 2 1,-0.1 553,-0.1 -7,-0.1 578,-0.1 -0.233 43.7 179.9 -64.8 151.1 -19.5 -6.9 -36.1 109 109 A N + 0 0 11 551,-0.3 2,-1.6 576,-0.2 215,-0.3 0.562 46.7 107.4-124.1 -19.0 -18.5 -7.4 -32.4 110 110 A F - 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