==== 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 27-AUG-03 1QV7 . 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) . 27659.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 508 67.9 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 . 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 . 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 . 49 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 18.0 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 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 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 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 0 132 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -65.5 -8.0 11.2 50.7 2 2 A T > + 0 0 57 72,-0.1 3,-2.1 2,-0.1 73,-0.1 0.663 360.0 117.0 -80.9 -12.8 -5.5 9.7 48.2 3 3 A A T 3 S+ 0 0 58 1,-0.3 3,-0.1 71,-0.1 72,-0.1 -0.288 83.9 10.1 -59.2 132.7 -5.6 12.9 46.1 4 4 A G T 3 S+ 0 0 63 1,-0.2 2,-0.3 27,-0.1 -1,-0.3 0.416 113.1 99.6 79.3 2.0 -2.2 14.6 45.9 5 5 A K S < S- 0 0 125 -3,-2.1 -1,-0.2 24,-0.1 2,-0.2 -0.820 80.8 -98.4-120.7 157.2 -0.5 11.8 47.6 6 6 A V - 0 0 81 -2,-0.3 2,-0.5 23,-0.1 23,-0.2 -0.507 36.9-146.3 -67.6 134.3 1.6 8.8 46.6 7 7 A I E -A 28 0A 14 21,-2.9 21,-3.2 -2,-0.2 2,-0.5 -0.907 3.2-153.2-105.3 130.4 -0.3 5.6 46.3 8 8 A K E +A 27 0A 131 -2,-0.5 2,-0.3 19,-0.2 19,-0.2 -0.896 35.7 142.6 -96.2 129.7 1.2 2.3 47.2 9 9 A C E -A 26 0A 6 17,-2.2 17,-2.8 -2,-0.5 2,-0.3 -0.870 50.7 -83.4-152.6 176.3 -0.4 -0.6 45.3 10 10 A K E +A 25 0A 92 -2,-0.3 138,-2.5 15,-0.2 2,-0.3 -0.734 44.7 171.3 -89.6 144.9 0.4 -3.8 43.6 11 11 A A E -AB 24 147A 0 13,-2.3 13,-2.7 -2,-0.3 2,-0.9 -0.967 38.8-113.7-144.9 158.2 1.6 -4.0 40.0 12 12 A A E -A 23 0A 0 134,-3.0 53,-0.5 -2,-0.3 2,-0.4 -0.870 39.4-166.0 -93.1 106.5 2.9 -6.5 37.7 13 13 A V E -AC 22 64A 0 9,-2.4 9,-2.7 -2,-0.9 2,-0.7 -0.765 14.6-153.9 -97.8 136.4 6.5 -5.5 37.0 14 14 A L E + C 0 63A 0 49,-2.8 49,-2.1 -2,-0.4 7,-0.1 -0.930 19.1 171.5-110.9 106.0 8.6 -6.9 34.2 15 15 A W + 0 0 59 -2,-0.7 2,-0.3 5,-0.4 -1,-0.1 0.791 65.2 11.2 -85.4 -24.7 12.2 -6.6 35.3 16 16 A E S > S- 0 0 118 4,-0.2 3,-1.0 47,-0.1 -1,-0.2 -0.982 84.7 -90.2-155.4 151.5 13.8 -8.6 32.5 17 17 A E T 3 S+ 0 0 91 -2,-0.3 37,-0.2 1,-0.2 36,-0.1 -0.301 106.5 16.0 -65.0 150.8 12.9 -10.2 29.2 18 18 A K T 3 S+ 0 0 147 35,-2.9 -1,-0.2 1,-0.2 36,-0.1 0.684 101.4 117.7 60.2 21.8 11.6 -13.8 29.1 19 19 A K S < S- 0 0 107 -3,-1.0 -1,-0.2 34,-0.2 3,-0.1 -0.817 71.1-101.7-115.3 153.2 10.8 -13.7 32.8 20 20 A P - 0 0 90 0, 0.0 -5,-0.4 0, 0.0 -4,-0.2 -0.299 47.6 -96.0 -59.1 155.4 7.5 -14.0 34.6 21 21 A F - 0 0 7 -7,-0.1 2,-0.7 -6,-0.1 -7,-0.2 -0.495 33.0-134.2 -70.1 150.6 5.9 -10.8 35.8 22 22 A S E -A 13 0A 35 -9,-2.7 -9,-2.4 -2,-0.2 2,-0.8 -0.927 10.5-148.9-113.9 109.8 6.6 -10.0 39.4 23 23 A I E +A 12 0A 54 -2,-0.7 2,-0.3 -11,-0.2 -11,-0.2 -0.699 43.7 132.0 -80.2 113.1 3.6 -9.0 41.3 24 24 A E E -A 11 0A 32 -13,-2.7 -13,-2.3 -2,-0.8 2,-0.1 -0.953 57.5 -66.8-155.9 174.4 4.7 -6.5 43.9 25 25 A E E +A 10 0A 94 -2,-0.3 108,-0.4 -15,-0.2 2,-0.3 -0.406 47.4 174.7 -70.0 132.9 4.3 -3.2 45.6 26 26 A V E -A 9 0A 1 -17,-2.8 -17,-2.2 -2,-0.1 2,-0.5 -0.917 28.4-124.3-131.9 159.7 5.0 -0.1 43.6 27 27 A E E -AD 8 131A 73 104,-3.1 104,-2.1 -2,-0.3 2,-0.6 -0.948 20.1-159.1-106.4 130.2 4.6 3.6 44.4 28 28 A V E -AD 7 130A 0 -21,-3.2 -21,-2.9 -2,-0.5 102,-0.2 -0.947 13.8-138.6-114.5 112.6 2.4 5.6 42.1 29 29 A A - 0 0 27 100,-2.4 -23,-0.1 -2,-0.6 -24,-0.1 -0.263 28.6 -96.1 -64.2 153.9 3.0 9.4 42.2 30 30 A P - 0 0 38 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.313 52.7 -87.9 -66.5 154.5 0.1 11.8 42.1 31 31 A P - 0 0 20 0, 0.0 47,-0.3 0, 0.0 3,-0.1 -0.472 40.2-147.5 -70.2 135.0 -0.8 13.2 38.7 32 32 A K > - 0 0 111 1,-0.2 3,-2.0 -2,-0.2 45,-0.2 -0.115 52.4 -40.3 -82.8-170.6 1.0 16.3 37.5 33 33 A A T 3 S+ 0 0 52 1,-0.3 -1,-0.2 44,-0.2 46,-0.2 -0.304 133.0 6.5 -52.9 133.4 -0.5 19.0 35.3 34 34 A H T 3 S+ 0 0 101 44,-2.4 120,-2.7 1,-0.2 2,-0.3 0.711 106.9 118.2 62.7 24.4 -2.7 17.4 32.5 35 35 A E E < -G 153 0B 5 -3,-2.0 42,-2.9 118,-0.2 2,-0.4 -0.862 49.6-151.2-118.6 163.3 -2.4 13.9 34.0 36 36 A V E -GH 152 76B 0 116,-3.0 116,-2.9 -2,-0.3 2,-0.5 -0.995 6.0-146.6-139.0 127.7 -4.9 11.5 35.3 37 37 A R E -GH 151 75B 0 38,-2.8 37,-3.4 -2,-0.4 38,-1.6 -0.854 22.9-165.9 -98.7 126.4 -4.5 8.9 37.9 38 38 A I E -GH 150 73B 0 112,-2.9 112,-1.9 -2,-0.5 2,-0.6 -0.949 21.8-142.9-120.8 133.1 -6.7 5.8 37.4 39 39 A K E -GH 149 72B 87 33,-2.8 33,-2.6 -2,-0.4 110,-0.2 -0.820 35.5-129.4 -87.2 123.5 -7.8 2.8 39.6 40 40 A M E + H 0 71B 2 108,-2.3 31,-0.2 -2,-0.6 3,-0.1 -0.498 31.2 175.7 -81.5 136.4 -7.8 -0.1 37.2 41 41 A V E - 0 0 45 29,-2.4 333,-1.9 1,-0.4 2,-0.3 0.732 67.7 -3.8-105.9 -42.9 -10.8 -2.3 37.1 42 42 A A E -IH 373 70B 0 28,-1.9 28,-2.3 331,-0.2 -1,-0.4 -0.988 57.8-172.2-150.8 152.1 -10.0 -4.7 34.4 43 43 A T E -IH 372 69B 0 329,-2.3 329,-3.3 -2,-0.3 26,-0.3 -0.997 17.5-132.5-148.1 139.1 -7.3 -5.3 31.8 44 44 A G E -I 371 0B 0 24,-3.7 2,-0.7 -2,-0.3 24,-0.5 -0.530 17.0-126.1 -87.6 153.5 -6.9 -7.6 28.9 45 45 A I - 0 0 3 325,-1.9 325,-0.4 -2,-0.2 2,-0.3 -0.917 35.9-171.7 -96.8 112.8 -3.8 -9.8 28.1 46 46 A C >> - 0 0 6 -2,-0.7 4,-1.6 1,-0.1 3,-1.2 -0.729 35.7-118.3-106.7 147.9 -2.9 -8.8 24.5 47 47 A R H 3> S+ 0 0 102 -2,-0.3 4,-1.9 1,-0.3 5,-0.2 0.888 113.7 62.9 -52.5 -36.2 -0.3 -10.5 22.3 48 48 A S H 3> S+ 0 0 23 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.838 97.6 54.7 -58.5 -34.8 1.6 -7.3 22.2 49 49 A D H <> S+ 0 0 0 -3,-1.2 4,-1.5 1,-0.2 3,-0.3 0.924 109.3 48.7 -66.2 -38.6 2.2 -7.4 26.0 50 50 A D H X S+ 0 0 7 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.852 104.1 59.1 -66.9 -34.0 3.7 -10.9 25.4 51 51 A Q H X>S+ 0 0 22 -4,-1.9 6,-1.8 1,-0.2 5,-1.7 0.836 102.6 54.7 -64.5 -31.0 5.9 -9.5 22.6 52 52 A V H <5S+ 0 0 4 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.899 109.8 46.2 -66.0 -41.8 7.3 -7.1 25.2 53 53 A V H <5S+ 0 0 4 -4,-1.5 -35,-2.9 1,-0.2 -2,-0.2 0.922 114.2 47.5 -67.5 -40.3 8.1 -10.2 27.3 54 54 A S H <5S- 0 0 49 -4,-2.6 -1,-0.2 -37,-0.2 -2,-0.2 0.701 110.2-124.6 -71.3 -22.0 9.6 -12.0 24.3 55 55 A G T <5S+ 0 0 17 -4,-1.2 -3,-0.2 2,-0.3 -4,-0.1 0.628 82.7 112.8 85.9 13.2 11.6 -9.0 23.4 56 56 A T S - 0 0 8 -42,-2.9 3,-1.5 -2,-0.3 -44,-0.2 -0.316 51.4 -65.6 -83.4 170.7 -3.8 16.9 37.8 78 78 A E T 3 S+ 0 0 166 -47,-0.3 -44,-2.4 1,-0.2 -1,-0.2 -0.333 119.7 20.2 -56.5 131.4 -4.0 20.6 37.4 79 79 A G T 3 S+ 0 0 40 1,-0.3 2,-0.3 -46,-0.2 -1,-0.2 0.309 79.6 141.8 98.6 -14.5 -5.6 21.6 34.1 80 80 A V < + 0 0 17 -3,-1.5 -1,-0.3 -45,-0.2 -4,-0.1 -0.494 12.9 162.8 -66.7 132.4 -7.6 18.5 33.2 81 81 A T + 0 0 116 -2,-0.3 -1,-0.1 3,-0.0 3,-0.1 0.501 60.3 63.4-126.7 -11.8 -10.9 19.2 31.7 82 82 A T S S+ 0 0 57 1,-0.1 2,-0.3 75,-0.0 77,-0.2 0.584 105.7 27.9-100.5 -14.6 -12.1 16.0 30.0 83 83 A V - 0 0 3 75,-0.1 -1,-0.1 76,-0.0 6,-0.0 -0.964 62.1-161.6-137.6 160.6 -12.4 13.6 32.9 84 84 A R > - 0 0 184 -2,-0.3 3,-2.4 -3,-0.1 -11,-0.3 -0.957 42.4 -74.3-134.3 161.3 -13.2 13.9 36.6 85 85 A P T 3 S+ 0 0 72 0, 0.0 -11,-0.2 0, 0.0 3,-0.1 -0.194 120.0 29.2 -53.0 141.1 -12.7 11.7 39.6 86 86 A G T 3 S+ 0 0 52 -13,-2.5 2,-0.2 1,-0.3 -12,-0.1 0.219 89.1 129.7 86.7 -13.0 -15.2 8.9 39.5 87 87 A D < - 0 0 30 -3,-2.4 -14,-2.2 1,-0.1 2,-0.3 -0.452 61.4-119.7 -73.5 144.7 -15.5 8.8 35.7 88 88 A K E +J 72 0B 51 72,-0.5 72,-2.5 -16,-0.2 2,-0.3 -0.656 43.5 178.4 -79.9 139.4 -15.2 5.5 33.9 89 89 A V E -JK 71 159B 0 -18,-2.8 -18,-3.0 -2,-0.3 70,-0.2 -0.978 33.6-148.1-149.3 153.7 -12.3 5.5 31.4 90 90 A I E - K 0 158B 0 68,-2.0 68,-1.9 -2,-0.3 -20,-0.2 -0.990 28.8-131.1-120.5 119.0 -10.3 3.7 28.9 91 91 A P E - K 0 157B 0 0, 0.0 2,-0.6 0, 0.0 -22,-0.4 -0.455 20.7-134.4 -67.5 142.7 -6.6 4.5 28.6 92 92 A L - 0 0 3 64,-2.8 -24,-0.1 50,-0.2 82,-0.1 -0.890 16.4-167.4-109.9 110.5 -5.5 5.1 25.0 93 93 A F S S+ 0 0 18 -2,-0.6 22,-0.4 80,-0.5 -1,-0.1 0.683 92.9 49.6 -70.0 -22.0 -2.2 3.5 23.8 94 94 A T S S- 0 0 1 20,-0.1 -1,-0.2 -3,-0.1 230,-0.1 -0.988 94.1-148.1-107.6 114.0 -2.5 5.8 20.8 95 95 A P - 0 0 5 0, 0.0 16,-0.6 0, 0.0 229,-0.4 -0.115 9.5-145.6 -72.4 176.8 -3.1 9.3 22.2 96 96 A Q + 0 0 21 59,-2.1 61,-0.1 227,-0.1 14,-0.1 -0.789 20.4 172.6-144.6 88.4 -5.1 12.0 20.5 97 97 A C - 0 0 21 -2,-0.3 -1,-0.1 1,-0.1 59,-0.1 0.761 32.2-145.6 -71.4 -26.5 -3.5 15.3 21.4 98 98 A G S S+ 0 0 40 1,-0.1 -1,-0.1 57,-0.1 -2,-0.0 0.445 80.7 73.1 78.9 -2.2 -5.9 17.0 18.9 99 99 A K S S+ 0 0 162 4,-0.0 -1,-0.1 5,-0.0 -3,-0.0 0.679 70.7 89.8-117.5 -29.6 -3.3 19.5 17.9 100 100 A C S > S- 0 0 23 1,-0.1 4,-2.1 5,-0.0 5,-0.2 -0.157 88.2 -99.6 -71.5 171.2 -0.7 17.8 15.7 101 101 A R H > S+ 0 0 85 1,-0.2 4,-0.5 2,-0.2 7,-0.1 0.848 123.5 48.0 -60.5 -37.6 -0.7 17.4 11.9 102 102 A V H >4 S+ 0 0 0 2,-0.2 3,-1.2 1,-0.2 -1,-0.2 0.940 108.2 52.2 -69.9 -47.1 -2.0 13.9 12.2 103 103 A C H 34 S+ 0 0 14 1,-0.3 -2,-0.2 7,-0.1 -1,-0.2 0.897 112.6 48.0 -59.1 -31.8 -4.8 14.7 14.8 104 104 A K H 3< S+ 0 0 153 -4,-2.1 -1,-0.3 2,-0.0 -2,-0.2 0.566 91.5 97.0 -84.2 -11.9 -6.0 17.4 12.4 105 105 A H S << S- 0 0 43 -3,-1.2 -5,-0.0 -4,-0.5 -3,-0.0 -0.643 78.0-131.3 -79.1 137.7 -5.9 15.2 9.3 106 106 A P S S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.757 101.9 26.5 -59.3 -25.0 -9.3 13.6 8.4 107 107 A E S S+ 0 0 91 215,-0.0 -5,-0.1 -5,-0.0 -4,-0.0 0.816 97.9 92.6-107.8 -33.4 -7.8 10.1 8.1 108 108 A G + 0 0 1 -7,-0.1 553,-0.1 -6,-0.1 578,-0.1 -0.167 31.4 167.0 -69.7 151.0 -4.7 9.8 10.3 109 109 A N + 0 0 8 576,-0.3 2,-1.8 551,-0.3 215,-0.4 0.438 46.9 103.7-136.1 -3.1 -4.8 8.6 13.9 110 110 A F - 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