==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 27-NOV-00 1HF3 . COMPND 2 MOLECULE: ALCOHOL DEHYDROGENASE E CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; . AUTHOR R.MEIJERS,R.J.MORRIS,H.W.ADOLPH,A.MERLI,V.S.LAMZIN, . 748 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27466.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 511 68.3 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 . 102 13.6 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 . 53 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 17.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.9 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 3 4 3 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 . 3 6 6 1 2 0 3 1 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 1 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 0 140 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 166.2 4.0 51.3 10.1 2 2 A T > + 0 0 51 72,-0.1 3,-2.7 2,-0.1 73,-0.1 0.543 360.0 130.7 -94.3 -10.1 5.5 48.8 7.8 3 3 A A T 3 S+ 0 0 57 1,-0.3 3,-0.1 71,-0.2 72,-0.1 -0.205 82.4 8.9 -49.2 134.4 2.4 47.2 6.4 4 4 A G T 3 S+ 0 0 66 1,-0.2 2,-0.3 27,-0.1 -1,-0.3 0.282 111.0 107.0 79.4 -5.2 2.6 47.1 2.6 5 5 A K S < S- 0 0 121 -3,-2.7 -1,-0.2 24,-0.1 2,-0.2 -0.739 78.6-107.9-110.4 151.4 6.2 48.2 2.6 6 6 A V - 0 0 82 -2,-0.3 2,-0.5 -3,-0.1 23,-0.2 -0.493 40.8-141.3 -64.5 125.6 9.4 46.4 1.9 7 7 A I E -A 28 0A 12 21,-2.7 21,-3.5 -2,-0.2 2,-0.6 -0.919 7.3-152.8 -99.2 138.3 11.2 46.0 5.3 8 8 A K E +A 27 0A 135 -2,-0.5 2,-0.3 19,-0.2 19,-0.2 -0.892 37.6 139.7-105.0 118.2 14.9 46.4 5.6 9 9 A C E -A 26 0A 6 17,-3.0 17,-3.8 -2,-0.6 2,-0.3 -0.928 51.5 -83.7-148.6-177.8 16.2 44.4 8.6 10 10 A K E +A 25 0A 82 -2,-0.3 138,-2.6 15,-0.2 2,-0.3 -0.678 43.8 165.9 -95.3 152.2 19.0 42.2 9.8 11 11 A A E -AB 24 147A 0 13,-2.2 13,-3.1 -2,-0.3 2,-0.7 -0.983 40.1-112.4-152.5 155.5 19.1 38.5 9.1 12 12 A A E -A 23 0A 0 134,-2.9 53,-0.5 -2,-0.3 2,-0.3 -0.824 37.9-165.0 -93.4 111.6 21.7 35.8 9.4 13 13 A V E -A 22 0A 0 9,-3.0 9,-3.1 -2,-0.7 2,-0.6 -0.815 15.1-153.2-102.9 142.3 22.5 34.6 5.8 14 14 A L B +E 63 0B 0 49,-2.0 49,-2.0 -2,-0.3 7,-0.1 -0.980 17.4 176.2-113.1 107.7 24.4 31.4 5.1 15 15 A W + 0 0 61 -2,-0.6 2,-0.3 5,-0.3 -1,-0.1 0.744 64.4 3.9 -82.2 -33.2 26.1 32.1 1.7 16 16 A E S > S- 0 0 108 4,-0.2 3,-0.8 47,-0.1 -1,-0.2 -0.944 88.6 -80.7-153.9 157.3 27.9 28.9 1.4 17 17 A E T 3 S+ 0 0 93 -2,-0.3 37,-0.2 1,-0.2 36,-0.1 -0.296 106.6 17.1 -57.0 151.4 28.3 25.6 3.2 18 18 A K T 3 S+ 0 0 146 35,-3.0 -1,-0.2 1,-0.2 36,-0.1 0.739 96.8 113.7 55.0 38.0 30.6 25.4 6.3 19 19 A K S < S- 0 0 106 -3,-0.8 -1,-0.2 34,-0.1 3,-0.1 -0.871 72.5 -96.7-128.2 159.3 30.9 29.1 7.0 20 20 A P - 0 0 85 0, 0.0 -5,-0.3 0, 0.0 2,-0.2 -0.351 52.2 -93.0 -63.5 157.0 29.7 31.2 9.8 21 21 A F - 0 0 7 -7,-0.1 2,-0.6 -6,-0.1 -7,-0.2 -0.524 36.7-136.7 -71.7 142.4 26.4 33.0 9.4 22 22 A S E -A 13 0A 42 -9,-3.1 -9,-3.0 -2,-0.2 2,-0.8 -0.913 9.2-138.5-103.7 116.5 26.8 36.5 8.0 23 23 A I E +A 12 0A 57 -2,-0.6 2,-0.3 -11,-0.3 -11,-0.2 -0.709 39.8 170.7 -78.4 110.8 24.6 39.0 9.7 24 24 A E E -A 11 0A 21 -13,-3.1 -13,-2.2 -2,-0.8 2,-0.5 -0.775 42.3-106.0-121.1 169.7 23.4 41.1 6.8 25 25 A E E -A 10 0A 100 -2,-0.3 108,-0.4 -15,-0.2 2,-0.3 -0.802 47.7-177.2 -91.0 122.9 20.9 43.8 5.9 26 26 A V E -A 9 0A 1 -17,-3.8 -17,-3.0 -2,-0.5 2,-0.6 -0.918 26.7-128.3-123.8 157.9 18.1 42.2 4.0 27 27 A E E -AC 8 131A 68 104,-3.4 104,-1.7 -2,-0.3 2,-0.7 -0.883 19.1-159.3-102.8 126.4 14.9 43.4 2.4 28 28 A V E -AC 7 130A 0 -21,-3.5 -21,-2.7 -2,-0.6 102,-0.2 -0.920 15.0-139.4-105.9 104.3 11.8 41.5 3.4 29 29 A A - 0 0 29 100,-2.8 -24,-0.1 -2,-0.7 -23,-0.1 -0.206 28.4 -97.1 -55.9 156.3 9.0 41.9 0.8 30 30 A P - 0 0 40 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.446 51.4 -90.0 -72.1 158.1 5.4 42.4 2.1 31 31 A P - 0 0 19 0, 0.0 47,-0.2 0, 0.0 3,-0.1 -0.448 36.9-143.6 -77.4 132.3 3.3 39.2 2.2 32 32 A K > - 0 0 95 1,-0.2 3,-1.7 45,-0.1 45,-0.2 -0.133 54.8 -43.2 -76.9-172.1 1.3 38.3 -0.8 33 33 A A T 3 S+ 0 0 51 1,-0.3 -1,-0.2 44,-0.2 46,-0.2 -0.346 133.0 13.1 -56.6 137.5 -2.2 36.7 -0.6 34 34 A H T 3 S+ 0 0 99 44,-1.8 120,-2.7 1,-0.2 121,-0.3 0.639 104.6 114.6 66.2 26.8 -2.3 34.0 2.1 35 35 A E E < -G 153 0C 4 -3,-1.7 42,-3.1 118,-0.2 2,-0.4 -0.846 50.0-153.6-124.5 153.0 1.1 35.1 3.7 36 36 A V E -GH 152 76C 0 116,-2.9 116,-2.6 -2,-0.3 2,-0.4 -0.995 7.0-148.9-125.0 129.3 2.0 36.5 7.0 37 37 A R E -GH 151 75C 0 38,-2.4 37,-2.5 -2,-0.4 38,-1.3 -0.831 24.4-163.6 -98.7 130.7 5.0 38.7 7.8 38 38 A I E -GH 150 73C 0 112,-3.0 112,-2.0 -2,-0.4 2,-0.6 -0.971 21.0-135.1-118.5 142.3 6.2 38.1 11.4 39 39 A K E -GH 149 72C 88 33,-3.0 33,-2.6 -2,-0.4 110,-0.2 -0.867 34.6-128.5 -94.4 115.6 8.4 40.1 13.7 40 40 A M E + H 0 71C 1 108,-2.4 31,-0.3 -2,-0.6 3,-0.1 -0.421 32.7 172.6 -72.2 133.8 10.7 37.5 15.3 41 41 A V E - 0 0 38 29,-2.2 333,-1.7 1,-0.4 2,-0.3 0.638 66.6 -3.4-103.2 -45.1 11.0 37.6 19.1 42 42 A A E -IH 373 70C 0 28,-2.0 28,-1.7 331,-0.2 -1,-0.4 -0.983 56.1-171.7-151.6 143.1 13.0 34.5 19.9 43 43 A T E -IH 372 69C 0 329,-2.1 329,-3.2 -2,-0.3 26,-0.3 -0.993 16.6-138.2-142.4 141.2 14.5 31.6 18.0 44 44 A G E -I 371 0C 0 24,-2.7 2,-0.7 -2,-0.3 24,-0.5 -0.495 20.2-123.7 -93.9 156.4 16.2 28.4 19.2 45 45 A I - 0 0 1 325,-1.5 325,-0.4 -2,-0.1 2,-0.3 -0.952 35.5-173.5-100.3 114.7 19.3 26.9 17.6 46 46 A C >> - 0 0 5 -2,-0.7 3,-1.4 323,-0.1 4,-1.3 -0.795 36.9-116.5-108.6 150.5 18.5 23.4 16.6 47 47 A R H 3> S+ 0 0 97 -2,-0.3 4,-2.1 1,-0.3 -1,-0.1 0.816 113.9 65.5 -53.6 -33.1 20.9 20.8 15.2 48 48 A S H 3> S+ 0 0 25 2,-0.2 4,-0.9 1,-0.2 -1,-0.3 0.865 97.0 54.4 -60.8 -29.9 18.9 20.8 11.9 49 49 A D H X> S+ 0 0 0 -3,-1.4 4,-1.1 1,-0.2 3,-0.7 0.929 108.7 49.5 -69.9 -37.1 20.0 24.4 11.4 50 50 A D H 3X S+ 0 0 10 -4,-1.3 4,-3.5 1,-0.2 6,-0.3 0.849 100.4 64.3 -67.0 -31.0 23.6 23.2 11.8 51 51 A H H 3X>S+ 0 0 20 -4,-2.1 6,-2.4 1,-0.2 5,-1.0 0.851 98.4 54.8 -60.9 -32.5 22.9 20.4 9.3 52 52 A V H X<5S+ 0 0 2 -4,-0.9 3,-0.7 -3,-0.7 -1,-0.2 0.948 111.6 44.9 -67.1 -37.8 22.4 23.1 6.6 53 53 A V H 3<5S+ 0 0 7 -4,-1.1 -35,-3.0 1,-0.3 -2,-0.2 0.932 113.5 48.3 -70.1 -46.5 25.8 24.5 7.5 54 54 A S H 3<5S- 0 0 39 -4,-3.5 -1,-0.3 -37,-0.2 -2,-0.2 0.636 111.8-119.3 -71.3 -8.6 27.5 21.2 7.5 55 55 A G T <<5S+ 0 0 18 -3,-0.7 242,-0.2 -4,-0.7 -3,-0.2 0.450 84.4 116.2 82.4 2.3 25.9 20.2 4.2 56 56 A T S - 0 0 10 -42,-3.1 3,-1.2 -2,-0.3 -44,-0.2 -0.242 50.9 -64.8 -79.0 175.3 -1.6 39.3 3.0 78 78 A E T 3 S+ 0 0 161 1,-0.2 -44,-1.8 -47,-0.2 -1,-0.2 -0.432 119.5 21.9 -62.1 133.3 -5.0 39.3 1.3 79 79 A G T 3 S+ 0 0 44 1,-0.3 2,-0.4 -46,-0.2 -1,-0.2 0.450 80.7 143.8 89.8 -6.7 -7.3 36.3 2.3 80 80 A V < + 0 0 17 -3,-1.2 -1,-0.3 1,-0.2 -4,-0.1 -0.627 10.8 159.0 -73.8 123.2 -5.6 35.6 5.6 81 81 A T + 0 0 119 -2,-0.4 -1,-0.2 -3,-0.1 -2,-0.0 0.607 57.6 66.2-118.7 -21.2 -8.2 34.6 8.1 82 82 A T S S+ 0 0 59 1,-0.0 2,-0.3 75,-0.0 77,-0.2 0.658 103.6 23.8 -87.5 -18.4 -6.3 32.7 10.7 83 83 A V - 0 0 4 75,-0.1 -1,-0.0 4,-0.0 6,-0.0 -0.972 64.2-150.9-138.5 162.8 -4.1 35.3 12.4 84 84 A R > - 0 0 185 -2,-0.3 3,-2.6 1,-0.0 -11,-0.3 -0.932 39.9 -79.3-125.6 163.6 -4.2 39.1 12.7 85 85 A P T 3 S+ 0 0 74 0, 0.0 -11,-0.2 0, 0.0 3,-0.1 -0.206 121.0 32.2 -55.2 128.7 -1.6 41.8 13.1 86 86 A G T 3 S+ 0 0 52 -13,-2.6 -12,-0.1 1,-0.3 2,-0.1 0.100 87.8 129.6 105.0 -25.4 -0.5 41.6 16.8 87 87 A D < - 0 0 37 -3,-2.6 -14,-3.2 -15,-0.1 2,-0.4 -0.386 60.6-124.9 -68.1 141.6 -1.0 37.9 17.3 88 88 A K E +J 72 0C 49 72,-0.5 72,-2.4 -16,-0.2 2,-0.3 -0.726 42.6 176.9 -78.7 130.1 1.8 35.8 18.8 89 89 A V E -JK 71 159C 0 -18,-2.5 -18,-1.9 -2,-0.4 70,-0.2 -0.936 31.0-143.0-136.8 159.2 2.5 33.0 16.3 90 90 A I E - K 0 158C 0 68,-2.0 68,-1.8 -2,-0.3 -20,-0.2 -0.998 27.7-129.5-121.9 124.4 4.9 30.1 15.9 91 91 A P E - K 0 157C 0 0, 0.0 2,-0.6 0, 0.0 -22,-0.3 -0.508 22.9-136.6 -70.3 144.3 6.0 29.5 12.3 92 92 A L - 0 0 3 64,-3.2 -24,-0.1 50,-0.2 82,-0.1 -0.931 18.4-167.7-113.4 115.7 5.5 25.8 11.4 93 93 A F S S+ 0 0 16 -2,-0.6 22,-0.4 80,-0.5 -1,-0.1 0.724 90.5 54.8 -73.9 -17.1 8.2 24.0 9.4 94 94 A T S S- 0 0 1 20,-0.1 -1,-0.1 -3,-0.1 231,-0.1 -0.979 91.8-148.4-112.0 108.2 5.7 21.2 8.8 95 95 A P - 0 0 4 0, 0.0 16,-0.6 0, 0.0 229,-0.3 -0.247 10.1-149.9 -71.7 173.3 2.7 22.9 7.3 96 96 A Q + 0 0 20 59,-2.3 61,-0.1 227,-0.1 14,-0.0 -0.679 16.9 174.9-146.0 83.2 -0.9 21.9 7.7 97 97 A C - 0 0 13 -2,-0.2 -1,-0.1 1,-0.1 59,-0.1 0.725 33.4-142.8 -62.8 -28.3 -2.8 22.8 4.5 98 98 A G S S+ 0 0 46 57,-0.1 -1,-0.1 -3,-0.1 -2,-0.0 0.406 83.7 68.8 85.0 0.2 -5.9 21.0 6.0 99 99 A K + 0 0 135 4,-0.0 2,-0.1 5,-0.0 -1,-0.1 0.496 69.2 93.5-123.2 -19.4 -6.8 19.8 2.7 100 100 A C S > S- 0 0 21 1,-0.1 4,-2.8 5,-0.1 5,-0.2 -0.433 88.1 -98.1 -87.0-176.9 -4.4 17.2 1.4 101 101 A R H > S+ 0 0 68 1,-0.2 4,-0.8 2,-0.2 7,-0.1 0.861 125.2 47.6 -60.7 -28.2 -4.8 13.5 1.7 102 102 A V H >4 S+ 0 0 0 2,-0.2 3,-0.5 1,-0.2 -1,-0.2 0.923 108.4 51.0 -76.9 -44.7 -2.4 13.6 4.7 103 103 A C H 34 S+ 0 0 15 1,-0.3 -2,-0.2 7,-0.1 -1,-0.2 0.925 112.8 49.8 -61.0 -36.3 -4.0 16.5 6.5 104 104 A K H 3< S+ 0 0 154 -4,-2.8 -1,-0.3 2,-0.0 -2,-0.2 0.631 92.4 92.4 -77.1 -15.5 -7.3 14.5 6.1 105 105 A H S << S- 0 0 47 -4,-0.8 -5,-0.1 -3,-0.5 -3,-0.0 -0.542 77.9-134.6 -79.3 136.3 -5.7 11.3 7.5 106 106 A P S S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.784 99.3 30.0 -61.1 -30.5 -6.2 11.0 11.3 107 107 A E S S+ 0 0 105 215,-0.0 -5,-0.1 554,-0.0 -4,-0.1 0.863 96.7 88.6-102.5 -44.3 -2.7 10.0 11.8 108 108 A G + 0 0 3 -6,-0.1 553,-0.1 -7,-0.1 578,-0.1 -0.082 34.4 172.9 -63.2 158.5 -0.4 11.6 9.3 109 109 A N + 0 0 9 576,-0.3 2,-2.2 551,-0.3 215,-0.3 0.412 49.5 104.5-137.7 -8.0 1.2 15.0 9.7 110 110 A F - 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0 0 1 4,-3.2 3,-2.4 -2,-0.2 -1,-0.1 -0.308 57.9 -87.1 -76.0-179.8 7.3 30.4 -0.6 124 124 A Q T 3 S+ 0 0 61 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.858 130.8 58.9 -63.0 -26.6 4.3 28.3 -1.8 125 125 A D T 3 S- 0 0 74 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.446 119.7-108.3 -83.5 1.8 4.2 30.4 -4.9 126 126 A G S < S+ 0 0 34 -3,-2.4 2,-0.3 1,-0.3 -2,-0.1 0.498 84.6 107.4 87.2 6.9 7.8 29.5 -5.9 127 127 A T - 0 0 56 11,-0.0 -4,-3.2 2,-0.0 2,-0.3 -0.746 64.3-124.3-117.7 162.9 9.2 32.9 -5.1 128 128 A S - 0 0 33 -2,-0.3 10,-0.1 -6,-0.2 -6,-0.1 -0.826 3.7-158.6 -98.7 150.2 11.4 34.3 -2.3 129 129 A R S S+ 0 0 7 -2,-0.3 -100,-2.8 22,-0.1 2,-0.4 0.215 71.7 85.3-104.4 5.4 10.4 37.3 -0.2 130 130 A F E +C 28 0A 0 7,-0.5 7,-2.4 -102,-0.2 2,-0.3 -0.950 47.3 171.3-119.2 131.8 14.0 38.0 0.7 131 131 A T E -CD 27 136A 47 -104,-1.7 -104,-3.4 -2,-0.4 2,-0.3 -0.979 5.4-176.4-135.0 147.3 16.8 40.0 -1.1 132 132 A C E > S- D 0 135A 1 3,-2.0 3,-3.3 -2,-0.3 -106,-0.1 -0.977 76.7 -11.1-143.3 125.5 20.2 40.9 0.1 133 133 A R T 3 S- 0 0 169 -108,-0.4 -107,-0.1 -2,-0.3 -1,-0.1 0.890 130.9 -55.5 52.1 37.7 22.6 43.1 -1.9 134 134 A G T 3 S+ 0 0 61 1,-0.2 -1,-0.3 0, 0.0 0, 0.0 0.410 115.6 116.8 78.2 -14.9 20.2 42.6 -4.8 135 135 A K E < -D 132 0A 133 -3,-3.3 -3,-2.0 1,-0.0 -1,-0.2 -0.729 68.8-121.3 -97.1 136.3 20.4 38.8 -4.7 136 136 A P E -D 131 0A 89 0, 0.0 2,-0.4 0, 0.0 -5,-0.3 -0.550 28.1-151.8 -68.7 137.5 17.3 36.7 -3.9 137 137 A I - 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