==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE(NAD(A)-CHOH(D)) 24-AUG-93 2OHX . COMPND 2 MOLECULE: ALCOHOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; . AUTHOR S.AL-KARADAGHI,E.S.CEDERGREN-ZEPPEZAUER . 748 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27973.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 497 66.4 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 . 43 5.7 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 . 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 5 0 1 1 4 2 4 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 . 4 4 8 0 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 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 0 152 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 164.6 21.9 14.6 50.6 2 2 A T > + 0 0 47 72,-0.1 3,-2.6 2,-0.1 73,-0.1 0.529 360.0 122.9-111.3 -15.9 20.8 12.0 48.0 3 3 A A T 3 S+ 0 0 64 1,-0.3 3,-0.1 71,-0.1 72,-0.0 -0.264 86.2 11.5 -52.7 128.4 23.9 11.1 46.1 4 4 A G T 3 S+ 0 0 62 1,-0.2 -1,-0.3 27,-0.1 2,-0.2 0.214 112.2 95.3 88.1 -16.7 24.4 7.4 46.4 5 5 A K S < S- 0 0 124 -3,-2.6 2,-0.4 24,-0.1 -1,-0.2 -0.613 81.3 -99.4-110.9 167.7 20.9 6.6 47.8 6 6 A V - 0 0 64 -2,-0.2 2,-0.4 23,-0.1 23,-0.2 -0.665 36.4-145.8 -71.6 132.6 17.6 5.5 46.5 7 7 A I E -A 28 0A 13 21,-2.4 21,-2.8 -2,-0.4 2,-0.5 -0.851 3.8-153.6 -96.7 135.1 15.3 8.6 46.2 8 8 A K E +A 27 0A 131 -2,-0.4 2,-0.2 19,-0.2 19,-0.2 -0.971 37.1 141.2-100.2 132.0 11.6 7.9 46.9 9 9 A C E -A 26 0A 9 17,-2.1 17,-2.6 -2,-0.5 2,-0.3 -0.836 51.4 -79.9-151.6-176.5 9.5 10.5 45.0 10 10 A K E +A 25 0A 103 -2,-0.2 138,-2.2 15,-0.2 139,-0.3 -0.685 45.0 166.5 -94.0 153.3 6.2 10.8 42.9 11 11 A A E -AB 24 147A 0 13,-2.0 13,-2.8 -2,-0.3 2,-0.7 -0.941 40.4-111.4-154.9 162.2 5.9 9.7 39.3 12 12 A A E -A 23 0A 0 134,-2.7 53,-0.5 -2,-0.3 2,-0.4 -0.937 38.0-166.1-103.5 110.9 3.0 9.1 36.9 13 13 A V E -A 22 0A 0 9,-2.7 9,-2.6 -2,-0.7 2,-0.8 -0.843 15.0-149.6-100.3 134.6 3.0 5.3 36.2 14 14 A L B +E 63 0B 0 49,-2.6 49,-1.7 -2,-0.4 7,-0.1 -0.926 19.0 176.3-105.2 106.6 1.0 3.9 33.3 15 15 A W + 0 0 61 -2,-0.8 2,-0.3 5,-0.4 -1,-0.2 0.815 64.7 6.8 -78.0 -33.6 -0.0 0.5 34.6 16 16 A E S > S- 0 0 112 4,-0.3 3,-1.1 45,-0.1 -1,-0.2 -0.988 86.3 -84.7-149.5 157.9 -2.2 -0.4 31.6 17 17 A E T 3 S+ 0 0 98 -2,-0.3 37,-0.2 1,-0.2 36,-0.1 -0.250 107.2 12.7 -55.9 147.6 -3.1 0.8 28.2 18 18 A K T 3 S+ 0 0 150 35,-2.3 -1,-0.2 1,-0.2 36,-0.1 0.692 100.9 118.3 54.3 28.6 -5.9 3.2 27.8 19 19 A K S < S- 0 0 98 -3,-1.1 -1,-0.2 34,-0.1 3,-0.1 -0.790 71.9 -95.2-111.8 159.3 -6.0 4.0 31.5 20 20 A P - 0 0 93 0, 0.0 -5,-0.4 0, 0.0 -4,-0.3 -0.325 49.2 -97.9 -56.3 158.0 -5.3 7.3 33.4 21 21 A F - 0 0 7 -7,-0.1 2,-0.6 -6,-0.1 -7,-0.2 -0.560 35.1-136.1 -76.3 146.4 -1.8 7.8 34.7 22 22 A S E -A 13 0A 39 -9,-2.6 -9,-2.7 -2,-0.2 2,-0.7 -0.939 9.8-144.1-108.4 120.2 -1.6 6.9 38.4 23 23 A I E +A 12 0A 52 -2,-0.6 2,-0.3 -11,-0.2 -11,-0.2 -0.759 43.6 140.0 -87.2 114.0 0.4 9.4 40.4 24 24 A E E -A 11 0A 29 -13,-2.8 -13,-2.0 -2,-0.7 2,-0.4 -0.905 53.4 -78.7-148.5-178.9 2.3 7.4 43.0 25 25 A E E +A 10 0A 120 -2,-0.3 108,-0.4 -15,-0.2 2,-0.3 -0.689 45.0 173.6 -87.8 137.4 5.5 6.9 44.9 26 26 A V E -A 9 0A 0 -17,-2.6 -17,-2.1 -2,-0.4 2,-0.5 -0.828 29.4-121.4-132.7 169.3 8.4 5.2 43.2 27 27 A E E -AC 8 131A 79 104,-2.3 104,-1.6 -2,-0.3 2,-0.7 -0.971 19.7-158.8-117.3 128.5 12.0 4.4 44.1 28 28 A V E -AC 7 130A 0 -21,-2.8 -21,-2.4 -2,-0.5 102,-0.2 -0.935 15.2-139.0-115.3 108.4 14.7 5.8 41.8 29 29 A A - 0 0 30 100,-2.2 -23,-0.1 -2,-0.7 -24,-0.1 -0.208 28.3 -95.2 -58.5 151.6 18.0 4.0 42.2 30 30 A P - 0 0 38 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.332 51.6 -87.7 -61.1 155.2 21.2 5.9 42.1 31 31 A P - 0 0 22 0, 0.0 47,-0.2 0, 0.0 3,-0.1 -0.403 36.0-147.0 -66.5 139.9 23.1 6.2 38.8 32 32 A K > - 0 0 95 1,-0.2 3,-1.8 45,-0.2 45,-0.2 -0.278 54.9 -43.3 -91.2-174.9 25.6 3.5 37.7 33 33 A A T 3 S+ 0 0 47 1,-0.3 -1,-0.2 44,-0.2 46,-0.2 -0.260 131.4 6.7 -56.8 136.8 28.7 4.3 35.6 34 34 A H T 3 S+ 0 0 97 44,-2.4 120,-2.7 1,-0.2 2,-0.3 0.699 104.0 113.9 62.9 24.3 28.0 6.8 32.9 35 35 A E E < -G 153 0C 4 -3,-1.8 42,-3.0 118,-0.3 2,-0.4 -0.780 51.6-151.5-117.4 166.0 24.4 7.5 34.0 36 36 A V E -GH 152 76C 0 116,-2.4 116,-2.5 -2,-0.3 2,-0.5 -0.995 6.4-143.5-141.7 132.5 23.1 10.8 35.3 37 37 A R E -GH 151 75C 0 38,-3.0 37,-2.6 -2,-0.4 38,-1.5 -0.922 23.6-163.3-107.1 133.6 20.2 11.3 37.8 38 38 A I E -GH 150 73C 0 112,-2.9 112,-1.9 -2,-0.5 2,-0.5 -0.929 20.7-140.0-123.4 135.2 18.1 14.4 37.1 39 39 A K E -GH 149 72C 91 33,-3.1 33,-2.4 -2,-0.4 110,-0.2 -0.837 34.2-130.2 -89.9 125.7 15.6 16.4 39.1 40 40 A M E + H 0 71C 1 108,-2.3 31,-0.3 -2,-0.5 3,-0.1 -0.561 32.4 172.6 -81.6 140.6 12.9 17.3 36.7 41 41 A V E - 0 0 38 29,-2.3 333,-1.6 1,-0.4 2,-0.3 0.694 67.8 -0.1-115.3 -45.2 11.8 20.9 36.6 42 42 A A E -IH 373 70C 0 28,-2.2 28,-1.9 331,-0.2 -1,-0.4 -0.999 57.8-174.9-145.8 144.6 9.4 21.0 33.6 43 43 A T E -IH 372 69C 0 329,-2.3 329,-3.0 -2,-0.3 26,-0.3 -0.996 17.1-138.5-140.9 137.4 8.1 18.5 31.1 44 44 A G E -IH 371 68C 0 24,-2.9 2,-0.9 -2,-0.3 24,-0.5 -0.600 19.3-120.7 -90.5 158.3 5.8 19.0 28.0 45 45 A I - 0 0 2 325,-1.8 325,-0.3 -2,-0.2 2,-0.3 -0.859 34.5-172.2-101.0 107.9 3.0 16.8 26.9 46 46 A C >> - 0 0 5 -2,-0.9 3,-1.4 1,-0.1 4,-1.0 -0.720 35.0-119.0 -93.9 147.5 3.8 15.6 23.4 47 47 A R H 3> S+ 0 0 95 -2,-0.3 4,-1.7 1,-0.2 3,-0.3 0.843 112.1 68.3 -57.0 -26.4 1.3 13.6 21.3 48 48 A S H 3> S+ 0 0 28 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.842 95.0 54.5 -62.7 -30.3 3.8 10.7 21.3 49 49 A D H <> S+ 0 0 0 -3,-1.4 4,-1.3 1,-0.2 3,-0.4 0.903 107.8 49.4 -68.5 -35.2 3.2 10.2 25.1 50 50 A D H X S+ 0 0 14 -4,-1.0 4,-2.7 -3,-0.3 6,-0.2 0.833 102.1 63.5 -70.2 -28.2 -0.6 9.9 24.3 51 51 A H H X>S+ 0 0 23 -4,-1.7 6,-1.8 2,-0.2 5,-1.2 0.846 100.4 52.7 -61.8 -35.2 0.4 7.3 21.6 52 52 A V H ><5S+ 0 0 3 -4,-1.1 3,-0.7 -3,-0.4 -1,-0.2 0.942 108.6 49.5 -63.7 -45.1 1.8 5.1 24.4 53 53 A V H 3<5S+ 0 0 6 -4,-1.3 -35,-2.3 1,-0.3 -2,-0.2 0.954 114.7 44.2 -64.3 -43.2 -1.5 5.3 26.3 54 54 A S H 3<5S- 0 0 43 -4,-2.7 -1,-0.3 -37,-0.2 -2,-0.2 0.668 111.2-116.4 -81.1 -6.2 -3.5 4.4 23.3 55 55 A G T <<5S+ 0 0 23 -4,-1.0 242,-0.2 -3,-0.7 -3,-0.2 0.459 84.5 116.5 85.2 1.7 -1.3 1.5 22.1 56 56 A T S - 0 0 8 -42,-3.0 3,-1.4 -2,-0.3 -44,-0.2 -0.389 50.5 -65.8 -82.6 171.9 27.6 8.0 38.0 78 78 A E T 3 S+ 0 0 161 -47,-0.2 -44,-2.4 1,-0.2 -1,-0.2 -0.215 119.0 24.4 -58.8 144.0 31.3 7.1 37.6 79 79 A G T 3 S+ 0 0 47 1,-0.3 2,-0.3 -46,-0.2 -1,-0.2 0.274 81.5 138.7 86.3 -17.2 33.0 8.0 34.3 80 80 A V < + 0 0 13 -3,-1.4 -1,-0.3 -45,-0.2 -4,-0.1 -0.471 13.7 159.8 -66.6 125.7 30.6 10.9 33.4 81 81 A T + 0 0 120 -2,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.571 59.5 65.9-119.1 -14.3 32.5 13.8 32.0 82 82 A T S S+ 0 0 61 1,-0.0 2,-0.3 75,-0.0 77,-0.2 0.543 104.9 29.6 -94.4 -5.1 30.0 15.9 30.0 83 83 A V - 0 0 1 75,-0.1 6,-0.0 76,-0.0 -1,-0.0 -0.971 61.5-162.1-142.9 162.2 27.7 17.1 32.9 84 84 A R > - 0 0 189 -2,-0.3 3,-2.4 -9,-0.0 -11,-0.3 -0.942 42.0 -76.3-136.6 155.0 28.2 17.8 36.5 85 85 A P T 3 S+ 0 0 73 0, 0.0 -11,-0.2 0, 0.0 3,-0.1 -0.222 119.9 32.0 -49.0 140.2 25.7 18.2 39.4 86 86 A G T 3 S+ 0 0 54 -13,-2.9 -12,-0.1 1,-0.3 2,-0.1 0.198 88.4 133.1 86.9 -15.8 23.9 21.5 39.3 87 87 A D < - 0 0 31 -3,-2.4 -14,-2.4 -15,-0.1 2,-0.4 -0.379 58.9-125.6 -68.1 142.2 24.0 21.6 35.4 88 88 A K E +J 72 0C 51 72,-0.5 72,-2.2 -16,-0.2 2,-0.3 -0.736 43.0 175.9 -79.4 138.9 20.8 22.4 33.6 89 89 A V E -JK 71 159C 0 -18,-2.5 -18,-1.8 -2,-0.4 70,-0.2 -0.961 33.5-143.7-144.6 158.3 20.1 19.6 31.0 90 90 A I E - K 0 158C 0 68,-2.2 68,-1.8 -2,-0.3 -20,-0.2 -0.997 27.9-130.6-123.1 122.2 17.7 18.3 28.5 91 91 A P E - K 0 157C 0 0, 0.0 2,-0.6 0, 0.0 -22,-0.3 -0.493 21.7-135.8 -63.8 143.1 17.3 14.5 28.2 92 92 A L - 0 0 3 64,-2.9 -24,-0.1 50,-0.2 82,-0.1 -0.884 16.8-167.0-109.7 114.8 17.5 13.2 24.6 93 93 A F S S+ 0 0 22 -2,-0.6 22,-0.4 80,-0.5 -1,-0.2 0.765 91.0 51.8 -71.8 -20.1 15.0 10.6 23.4 94 94 A T S S- 0 0 3 20,-0.1 -1,-0.1 21,-0.1 230,-0.1 -0.976 94.1-145.5-106.2 115.0 17.3 10.1 20.3 95 95 A P - 0 0 6 0, 0.0 16,-0.6 0, 0.0 2,-0.3 -0.218 9.8-146.2 -71.3 167.3 20.8 9.4 21.8 96 96 A Q + 0 0 23 59,-2.3 61,-0.1 227,-0.1 14,-0.1 -0.762 21.4 172.8-128.9 90.0 24.0 10.5 20.2 97 97 A C - 0 0 16 -2,-0.3 -1,-0.1 1,-0.1 59,-0.1 0.746 30.2-145.9 -69.8 -20.0 26.6 7.7 21.1 98 98 A G S S+ 0 0 45 1,-0.1 -1,-0.1 -3,-0.1 -2,-0.0 0.289 81.7 72.7 76.2 -11.8 29.2 9.3 18.8 99 99 A K S S+ 0 0 172 4,-0.0 -1,-0.1 5,-0.0 2,-0.1 0.645 72.2 89.3-110.8 -21.7 30.6 5.9 17.8 100 100 A C S > S- 0 0 17 1,-0.1 4,-2.3 5,-0.0 5,-0.2 -0.368 87.7-100.8 -82.2 166.3 28.1 4.1 15.5 101 101 A R T 4 S+ 0 0 75 1,-0.2 4,-0.3 2,-0.2 7,-0.1 0.828 122.6 47.4 -46.5 -41.2 27.8 4.2 11.7 102 102 A V T >4 S+ 0 0 0 2,-0.2 3,-1.2 1,-0.2 -1,-0.2 0.939 109.5 50.9 -74.7 -44.6 24.9 6.8 11.9 103 103 A C T 34 S+ 0 0 16 1,-0.3 -2,-0.2 7,-0.1 -1,-0.2 0.854 112.5 47.8 -62.8 -35.6 26.6 9.1 14.4 104 104 A K T 3< S+ 0 0 161 -4,-2.3 -1,-0.3 3,-0.0 -2,-0.2 0.486 93.1 94.1 -79.8 -7.0 29.8 9.2 12.2 105 105 A H S < S- 0 0 47 -3,-1.2 -5,-0.0 -4,-0.3 -3,-0.0 -0.755 79.5-133.1 -82.9 137.0 27.7 9.9 9.0 106 106 A P S S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.731 98.8 29.6 -56.6 -28.1 27.5 13.7 8.3 107 107 A E S S+ 0 0 120 -5,-0.1 2,-0.1 215,-0.0 -5,-0.1 0.742 96.8 88.7-109.7 -27.6 23.7 13.6 7.7 108 108 A G + 0 0 1 -6,-0.2 553,-0.1 -7,-0.1 -3,-0.1 -0.370 35.0 170.1 -77.0 154.9 22.1 10.8 9.8 109 109 A N + 0 0 11 551,-0.3 2,-1.8 -2,-0.1 215,-0.3 0.444 46.9 104.2-133.6 -7.7 20.9 11.4 13.3 110 110 A F - 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