==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-AUG-03 1QV6 . COMPND 2 MOLECULE: ALCOHOL DEHYDROGENASE E CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; . AUTHOR L.A.LEBRUN,D.-H.PARK,S.RAMASWAMY,B.V.PLAPP . 748 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27855.0 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 . 103 13.8 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 . 83 11.1 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 1 1 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 . 3 5 7 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 0 137 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -51.6 -8.1 11.1 51.0 2 2 A T > + 0 0 58 72,-0.1 3,-2.3 2,-0.1 73,-0.1 0.631 360.0 120.7 -92.2 -13.0 -5.5 9.8 48.4 3 3 A A T 3 S+ 0 0 62 1,-0.3 3,-0.1 71,-0.1 72,-0.1 -0.238 84.2 7.0 -52.1 129.9 -5.6 12.9 46.3 4 4 A G T 3 S+ 0 0 63 1,-0.2 2,-0.3 27,-0.1 -1,-0.3 0.489 111.3 101.2 75.5 3.6 -2.2 14.5 46.0 5 5 A K S < S- 0 0 125 -3,-2.3 -1,-0.2 24,-0.1 2,-0.2 -0.838 80.4 -98.3-116.2 157.7 -0.4 11.7 47.8 6 6 A V - 0 0 77 -2,-0.3 2,-0.5 23,-0.1 23,-0.2 -0.467 37.5-146.3 -65.1 139.6 1.7 8.8 46.7 7 7 A I E -A 28 0A 14 21,-2.9 21,-3.3 -2,-0.2 2,-0.5 -0.930 2.9-152.2-109.5 133.1 -0.3 5.6 46.5 8 8 A K E +A 27 0A 131 -2,-0.5 2,-0.3 19,-0.2 19,-0.2 -0.912 35.7 144.7 -98.8 129.0 1.4 2.3 47.3 9 9 A C E -A 26 0A 5 17,-2.1 17,-3.0 -2,-0.5 2,-0.3 -0.885 50.0 -85.4-151.0 174.2 -0.3 -0.6 45.4 10 10 A K E +A 25 0A 90 -2,-0.3 138,-2.6 15,-0.2 2,-0.3 -0.749 45.0 169.6 -89.1 141.7 0.4 -3.9 43.7 11 11 A A E -AB 24 147A 0 13,-2.2 13,-2.3 -2,-0.3 2,-0.9 -0.946 40.3-111.6-141.1 164.6 1.6 -4.0 40.1 12 12 A A E -A 23 0A 0 134,-3.1 53,-0.6 -2,-0.3 2,-0.4 -0.858 39.8-164.8-100.7 103.4 3.0 -6.6 37.8 13 13 A V E -AC 22 64A 0 9,-2.7 9,-3.0 -2,-0.9 2,-0.8 -0.719 13.3-153.5 -93.5 133.8 6.6 -5.5 37.2 14 14 A L E + C 0 63A 0 49,-2.5 49,-1.8 -2,-0.4 7,-0.1 -0.902 18.9 172.1-106.6 104.6 8.6 -6.9 34.3 15 15 A W + 0 0 64 -2,-0.8 2,-0.3 5,-0.3 -1,-0.2 0.804 64.7 11.0 -82.8 -25.3 12.2 -6.7 35.5 16 16 A E S > S- 0 0 115 4,-0.2 3,-0.9 47,-0.1 -1,-0.2 -0.987 84.3 -91.2-155.0 148.4 13.8 -8.6 32.6 17 17 A E T 3 S+ 0 0 95 -2,-0.3 37,-0.2 1,-0.2 36,-0.1 -0.315 105.6 17.7 -61.1 150.6 12.9 -10.1 29.2 18 18 A K T 3 S+ 0 0 144 35,-2.6 -1,-0.2 1,-0.2 36,-0.1 0.702 100.8 111.8 61.2 25.0 11.6 -13.8 29.1 19 19 A K S < S- 0 0 106 -3,-0.9 -1,-0.2 34,-0.1 3,-0.1 -0.876 73.9 -97.1-122.5 156.8 10.8 -13.9 32.8 20 20 A P - 0 0 88 0, 0.0 -5,-0.3 0, 0.0 -4,-0.2 -0.349 49.7 -96.7 -60.7 153.2 7.4 -14.1 34.7 21 21 A F - 0 0 7 -7,-0.1 2,-0.6 -6,-0.1 -7,-0.2 -0.446 32.6-130.7 -70.4 149.5 6.0 -10.9 35.9 22 22 A S E -A 13 0A 34 -9,-3.0 -9,-2.7 -2,-0.1 2,-0.8 -0.898 12.0-151.7-105.0 111.1 6.6 -10.0 39.5 23 23 A I E +A 12 0A 53 -2,-0.6 2,-0.3 -11,-0.2 -11,-0.2 -0.718 44.2 127.7 -83.3 112.9 3.5 -9.0 41.4 24 24 A E E -A 11 0A 33 -13,-2.3 -13,-2.2 -2,-0.8 2,-0.1 -0.954 60.4 -65.6-158.0 172.1 4.8 -6.6 44.1 25 25 A E E +A 10 0A 91 -2,-0.3 108,-0.4 -15,-0.2 2,-0.3 -0.417 46.5 177.6 -70.1 136.4 4.3 -3.2 45.7 26 26 A V E -A 9 0A 1 -17,-3.0 -17,-2.1 -2,-0.1 2,-0.5 -0.876 27.7-122.6-128.5 163.7 5.0 -0.1 43.7 27 27 A E E -AD 8 131A 76 104,-3.4 104,-2.2 -2,-0.3 2,-0.6 -0.951 21.5-159.9-108.9 129.4 4.7 3.5 44.5 28 28 A V E -AD 7 130A 0 -21,-3.3 -21,-2.9 -2,-0.5 102,-0.2 -0.945 13.0-139.3-114.8 117.1 2.5 5.6 42.2 29 29 A A - 0 0 28 100,-2.3 -23,-0.1 -2,-0.6 -24,-0.1 -0.273 28.1 -97.5 -69.5 154.9 3.1 9.4 42.3 30 30 A P - 0 0 38 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.367 51.9 -86.3 -68.4 156.6 0.2 11.8 42.2 31 31 A P - 0 0 20 0, 0.0 47,-0.3 0, 0.0 3,-0.1 -0.402 39.3-148.4 -69.5 134.6 -0.8 13.3 38.8 32 32 A K > - 0 0 114 1,-0.2 3,-1.8 45,-0.2 45,-0.2 -0.116 53.9 -41.2 -85.9-173.6 1.0 16.4 37.6 33 33 A A T 3 S+ 0 0 51 1,-0.3 -1,-0.2 44,-0.2 46,-0.2 -0.268 133.0 7.2 -49.4 137.1 -0.5 19.0 35.5 34 34 A H T 3 S+ 0 0 102 44,-2.3 120,-2.7 1,-0.2 2,-0.3 0.728 106.1 119.7 60.2 26.7 -2.7 17.5 32.7 35 35 A E E < -G 153 0B 5 -3,-1.8 42,-3.2 118,-0.2 2,-0.4 -0.849 49.1-152.2-119.7 161.5 -2.3 14.0 34.1 36 36 A V E -GH 152 76B 0 116,-2.9 116,-2.7 -2,-0.3 2,-0.5 -0.991 5.1-149.1-137.2 130.7 -4.9 11.6 35.4 37 37 A R E -GH 151 75B 0 38,-2.6 37,-2.8 -2,-0.4 38,-1.6 -0.852 21.7-164.8-104.1 128.3 -4.5 8.8 38.0 38 38 A I E -GH 150 73B 0 112,-2.7 112,-1.8 -2,-0.5 2,-0.7 -0.930 21.0-142.1-120.8 132.3 -6.7 5.8 37.5 39 39 A K E -GH 149 72B 98 33,-2.9 33,-2.5 -2,-0.4 110,-0.3 -0.829 36.2-130.0 -86.1 120.8 -7.8 2.9 39.7 40 40 A M E + H 0 71B 2 108,-2.6 31,-0.3 -2,-0.7 3,-0.1 -0.462 31.9 174.9 -78.6 146.3 -7.8 -0.0 37.4 41 41 A V E - 0 0 39 29,-2.5 333,-1.8 1,-0.4 2,-0.3 0.728 67.1 -1.5-113.7 -41.4 -10.8 -2.4 37.3 42 42 A A E -IH 373 70B 0 28,-1.9 28,-2.1 331,-0.2 -1,-0.4 -0.993 56.7-176.5-151.3 145.7 -10.1 -4.8 34.4 43 43 A T E -IH 372 69B 0 329,-2.3 329,-3.3 -2,-0.3 26,-0.3 -0.995 18.2-136.0-143.4 146.4 -7.3 -5.3 31.9 44 44 A G E -IH 371 68B 0 24,-2.9 2,-0.7 -2,-0.3 24,-0.5 -0.651 18.6-122.0 -99.3 155.5 -6.9 -7.8 29.1 45 45 A I - 0 0 2 325,-1.9 325,-0.4 -2,-0.2 2,-0.3 -0.887 36.0-170.9 -93.4 110.1 -3.8 -9.8 28.2 46 46 A C >> - 0 0 5 -2,-0.7 4,-1.2 1,-0.1 3,-1.1 -0.734 35.0-116.7-101.4 149.8 -2.9 -8.8 24.5 47 47 A R H 3> S+ 0 0 104 -2,-0.3 4,-2.5 1,-0.3 3,-0.2 0.861 113.6 65.5 -52.5 -34.7 -0.3 -10.6 22.4 48 48 A S H 3> S+ 0 0 22 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.867 96.9 53.6 -59.4 -36.8 1.6 -7.3 22.3 49 49 A D H <> S+ 0 0 0 -3,-1.1 4,-1.4 2,-0.2 -1,-0.2 0.892 109.4 48.6 -64.0 -37.1 2.2 -7.5 26.0 50 50 A D H X S+ 0 0 7 -4,-1.2 4,-2.8 -3,-0.2 5,-0.2 0.874 104.6 58.9 -67.9 -35.6 3.7 -10.9 25.5 51 51 A Q H X>S+ 0 0 23 -4,-2.5 6,-1.8 1,-0.2 5,-1.2 0.863 103.1 54.2 -61.0 -33.8 5.8 -9.6 22.6 52 52 A V H <5S+ 0 0 3 -4,-1.7 3,-0.3 2,-0.2 -1,-0.2 0.935 109.9 46.1 -64.0 -44.7 7.3 -7.2 25.2 53 53 A V H <5S+ 0 0 4 -4,-1.4 -35,-2.6 1,-0.2 -2,-0.2 0.921 114.1 48.5 -62.4 -44.9 8.2 -10.2 27.4 54 54 A S H <5S- 0 0 48 -4,-2.8 -1,-0.2 -37,-0.2 -2,-0.2 0.675 109.6-124.7 -67.0 -20.3 9.6 -12.1 24.4 55 55 A G T <5S+ 0 0 18 -4,-1.2 -3,-0.2 -3,-0.3 -4,-0.1 0.539 83.2 113.6 84.5 5.2 11.7 -9.0 23.4 56 56 A T S - 0 0 8 -42,-3.2 3,-1.4 -2,-0.4 -44,-0.2 -0.166 51.4 -65.2 -73.6 172.1 -3.9 16.9 37.9 78 78 A E T 3 S+ 0 0 165 -47,-0.3 -44,-2.3 1,-0.2 -1,-0.2 -0.350 119.5 18.7 -60.5 134.2 -4.1 20.6 37.5 79 79 A G T 3 S+ 0 0 42 1,-0.3 2,-0.3 -46,-0.2 -1,-0.2 0.401 80.7 143.4 90.9 -7.3 -5.8 21.8 34.3 80 80 A V < + 0 0 16 -3,-1.4 -1,-0.3 -45,-0.2 -4,-0.1 -0.521 13.2 163.3 -70.2 132.5 -7.5 18.5 33.4 81 81 A T + 0 0 118 -2,-0.3 -1,-0.1 -47,-0.0 3,-0.1 0.469 59.2 63.7-127.3 -9.8 -10.9 19.2 31.8 82 82 A T S S+ 0 0 58 1,-0.1 2,-0.3 75,-0.0 77,-0.2 0.624 105.4 28.5-101.1 -16.1 -12.0 16.0 30.0 83 83 A V - 0 0 3 75,-0.1 -1,-0.1 76,-0.0 6,-0.0 -0.950 62.5-159.9-136.3 162.6 -12.4 13.6 32.9 84 84 A R > - 0 0 183 -2,-0.3 3,-2.4 -3,-0.1 -11,-0.3 -0.965 41.5 -75.9-136.5 157.1 -13.2 13.9 36.6 85 85 A P T 3 S+ 0 0 75 0, 0.0 -11,-0.2 0, 0.0 3,-0.1 -0.231 119.8 27.7 -52.6 139.6 -12.7 11.7 39.7 86 86 A G T 3 S+ 0 0 53 -13,-3.0 2,-0.2 1,-0.3 -12,-0.1 0.202 89.5 128.9 85.9 -13.4 -15.2 8.8 39.6 87 87 A D < - 0 0 30 -3,-2.4 -14,-2.8 -15,-0.1 -1,-0.3 -0.500 62.2-121.3 -72.4 146.3 -15.6 8.8 35.8 88 88 A K E +JK 72 160B 47 72,-0.5 72,-2.6 -16,-0.2 2,-0.3 -0.655 43.2 176.2 -81.1 138.9 -15.1 5.4 34.0 89 89 A V E -JK 71 159B 0 -18,-2.6 -18,-2.5 -2,-0.3 70,-0.2 -0.960 31.9-144.1-145.6 157.2 -12.3 5.7 31.6 90 90 A I E - K 0 158B 0 68,-1.9 68,-1.7 -2,-0.3 -20,-0.2 -0.994 28.0-128.9-122.0 124.2 -10.3 3.7 29.1 91 91 A P E - K 0 157B 0 0, 0.0 2,-0.6 0, 0.0 -22,-0.4 -0.437 21.4-135.2 -67.8 147.9 -6.6 4.5 28.7 92 92 A L - 0 0 3 64,-2.8 -24,-0.1 50,-0.2 4,-0.1 -0.895 15.2-166.6-113.9 110.6 -5.5 5.1 25.1 93 93 A F S S+ 0 0 24 -2,-0.6 22,-0.4 80,-0.5 -1,-0.1 0.715 91.7 49.4 -71.8 -20.4 -2.3 3.5 23.9 94 94 A T S S- 0 0 3 20,-0.1 -1,-0.2 -3,-0.1 230,-0.1 -0.987 95.5-145.5-108.0 114.4 -2.4 5.7 20.9 95 95 A P - 0 0 4 0, 0.0 16,-0.6 0, 0.0 229,-0.4 -0.057 8.1-145.9 -73.2 174.8 -3.0 9.2 22.3 96 96 A Q + 0 0 22 59,-2.2 61,-0.1 227,-0.1 14,-0.1 -0.750 20.3 172.7-141.0 92.3 -5.1 11.9 20.6 97 97 A C - 0 0 20 -2,-0.3 -1,-0.1 1,-0.1 59,-0.1 0.751 31.0-146.1 -73.1 -22.5 -3.5 15.3 21.4 98 98 A G S S+ 0 0 40 1,-0.1 -1,-0.1 -3,-0.1 -2,-0.0 0.402 81.8 73.4 74.7 -0.9 -5.9 17.0 18.9 99 99 A K S S+ 0 0 166 5,-0.0 -1,-0.1 4,-0.0 5,-0.0 0.671 70.9 88.5-113.5 -28.4 -3.3 19.6 18.0 100 100 A C S > S- 0 0 22 1,-0.1 4,-2.1 5,-0.0 5,-0.2 -0.206 88.3-100.9 -76.7 172.1 -0.7 17.8 15.8 101 101 A R H > S+ 0 0 90 1,-0.2 4,-0.7 2,-0.2 7,-0.1 0.851 122.8 48.2 -61.1 -33.3 -0.8 17.5 12.0 102 102 A V H >4 S+ 0 0 0 2,-0.2 3,-1.1 1,-0.2 -1,-0.2 0.946 108.8 51.9 -74.3 -47.5 -2.0 13.9 12.3 103 103 A C H 34 S+ 0 0 14 1,-0.3 -2,-0.2 7,-0.1 -1,-0.2 0.859 111.7 49.2 -55.3 -32.6 -4.7 14.7 14.8 104 104 A K H 3< S+ 0 0 156 -4,-2.1 -1,-0.3 3,-0.0 -2,-0.2 0.645 91.1 97.0 -82.2 -13.0 -5.9 17.4 12.4 105 105 A H S << S- 0 0 43 -3,-1.1 -5,-0.0 -4,-0.7 -3,-0.0 -0.579 77.8-130.8 -81.9 138.7 -5.9 15.2 9.4 106 106 A P S S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.791 102.9 26.7 -59.7 -29.1 -9.3 13.7 8.5 107 107 A E S S+ 0 0 103 215,-0.0 -5,-0.1 554,-0.0 -4,-0.0 0.788 98.0 94.8-104.7 -29.8 -7.9 10.2 8.1 108 108 A G + 0 0 1 -6,-0.2 553,-0.1 -7,-0.1 578,-0.1 -0.177 29.7 164.0 -71.9 151.8 -4.8 9.9 10.4 109 109 A N + 0 0 10 576,-0.3 2,-2.1 551,-0.2 215,-0.3 0.414 47.3 101.8-137.5 -10.2 -4.9 8.6 13.9 110 110 A F - 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