==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 15-OCT-97 1AXE . COMPND 2 MOLECULE: ALCOHOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; . AUTHOR T.D.COLBY,J.K.CHIN,B.M.GOLDSTEIN . 748 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27947.0 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 . 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 . 45 6.0 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 . 135 18.0 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 5 0 0 3 3 3 3 0 1 3 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 7 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 . 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 0 153 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 163.5 -22.7 -14.6 50.4 2 2 A T > + 0 0 49 72,-0.1 3,-2.2 2,-0.1 2,-0.1 0.502 360.0 129.1-106.9 -8.0 -21.4 -12.2 47.8 3 3 A A T 3 S+ 0 0 69 1,-0.3 3,-0.1 71,-0.1 72,-0.0 -0.296 84.6 0.5 -56.4 118.5 -24.7 -11.3 46.0 4 4 A G T 3 S+ 0 0 60 1,-0.3 -1,-0.3 -2,-0.1 2,-0.3 0.421 110.6 105.9 84.9 -0.9 -25.0 -7.5 45.8 5 5 A K S < S- 0 0 123 -3,-2.2 -1,-0.3 24,-0.1 2,-0.2 -0.721 77.9 -98.8-113.1 160.4 -21.7 -6.7 47.5 6 6 A V - 0 0 67 -2,-0.3 2,-0.5 23,-0.1 23,-0.2 -0.565 38.1-145.4 -72.2 137.3 -18.3 -5.5 46.3 7 7 A I E -A 28 0A 11 21,-2.0 21,-3.3 -2,-0.2 2,-0.5 -0.906 6.8-157.8-108.2 130.3 -15.9 -8.4 45.9 8 8 A K E +A 27 0A 133 -2,-0.5 2,-0.3 19,-0.2 19,-0.2 -0.946 36.3 134.9-103.8 131.1 -12.2 -7.9 46.7 9 9 A C E -A 26 0A 10 17,-2.2 17,-2.4 -2,-0.5 2,-0.3 -0.866 53.4 -73.9-156.9-172.9 -10.1 -10.5 44.9 10 10 A K E +A 25 0A 103 -2,-0.3 138,-2.4 15,-0.2 2,-0.3 -0.721 44.7 164.6 -99.8 147.3 -7.0 -10.9 42.8 11 11 A A E -AB 24 147A 0 13,-2.2 13,-2.6 -2,-0.3 2,-0.7 -0.969 40.7-112.9-154.3 153.2 -6.5 -9.8 39.2 12 12 A A E -A 23 0A 0 134,-2.9 2,-0.4 -2,-0.3 53,-0.3 -0.884 38.7-166.1 -94.0 116.6 -3.6 -9.3 36.9 13 13 A V E -A 22 0A 0 9,-2.9 9,-2.5 -2,-0.7 2,-0.7 -0.854 15.1-148.6-105.8 138.9 -3.5 -5.6 36.1 14 14 A L B +E 63 0B 0 49,-2.8 49,-2.0 -2,-0.4 7,-0.1 -0.961 21.4 171.3-107.2 110.8 -1.5 -4.0 33.3 15 15 A W + 0 0 63 -2,-0.7 2,-0.3 5,-0.4 -1,-0.2 0.845 66.5 14.0 -84.6 -42.4 -0.5 -0.6 34.5 16 16 A E S > S- 0 0 114 4,-0.3 3,-1.0 45,-0.1 -1,-0.2 -0.913 86.2 -95.8-132.7 162.3 1.9 0.2 31.6 17 17 A E T 3 S+ 0 0 102 -2,-0.3 37,-0.2 1,-0.2 36,-0.1 -0.289 106.1 18.8 -70.0 162.0 2.8 -1.2 28.3 18 18 A K T 3 S+ 0 0 156 35,-3.3 -1,-0.2 1,-0.2 36,-0.1 0.642 102.6 119.6 49.6 22.0 5.6 -3.6 27.9 19 19 A K S < S- 0 0 100 -3,-1.0 -1,-0.2 34,-0.2 3,-0.1 -0.789 70.9 -97.8-116.6 154.3 5.5 -4.2 31.6 20 20 A P - 0 0 90 0, 0.0 -5,-0.4 0, 0.0 -4,-0.3 -0.188 46.8 -98.6 -61.5 158.2 4.8 -7.4 33.6 21 21 A F - 0 0 10 -7,-0.1 2,-0.6 -6,-0.1 -7,-0.2 -0.561 32.1-136.7 -77.1 147.7 1.3 -8.0 34.9 22 22 A S E -A 13 0A 37 -9,-2.5 -9,-2.9 -2,-0.2 2,-0.8 -0.957 8.9-150.9-109.5 114.0 0.8 -7.1 38.5 23 23 A I E +A 12 0A 47 -2,-0.6 2,-0.3 -11,-0.2 -11,-0.2 -0.791 44.7 130.6 -85.5 113.1 -1.2 -9.7 40.4 24 24 A E E -A 11 0A 31 -13,-2.6 -13,-2.2 -2,-0.8 2,-0.4 -0.895 56.4 -67.4-150.4-173.5 -3.0 -7.6 43.0 25 25 A E E +A 10 0A 116 -2,-0.3 108,-0.3 -15,-0.2 2,-0.3 -0.689 43.5 171.2 -91.8 137.3 -6.2 -6.9 44.7 26 26 A V E -A 9 0A 1 -17,-2.4 -17,-2.2 -2,-0.4 2,-0.5 -0.885 31.1-121.3-136.2 160.7 -9.1 -5.1 43.1 27 27 A E E -AC 8 131A 80 104,-2.3 104,-1.4 -2,-0.3 2,-0.6 -0.923 20.4-155.7-106.9 132.9 -12.7 -4.5 44.0 28 28 A V E -AC 7 130A 0 -21,-3.3 -21,-2.0 -2,-0.5 102,-0.2 -0.926 13.9-140.9-114.2 103.5 -15.4 -5.9 41.7 29 29 A A - 0 0 35 100,-1.7 -23,-0.1 -2,-0.6 -24,-0.1 -0.175 30.1 -96.0 -59.0 151.2 -18.6 -4.0 41.9 30 30 A P - 0 0 36 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.297 50.4 -86.2 -67.6 160.4 -21.8 -6.0 41.8 31 31 A P - 0 0 20 0, 0.0 47,-0.2 0, 0.0 3,-0.1 -0.437 39.9-148.0 -70.2 136.1 -23.6 -6.3 38.4 32 32 A K > - 0 0 97 1,-0.3 3,-1.8 45,-0.2 45,-0.2 -0.179 53.6 -40.8 -87.3-172.0 -26.1 -3.6 37.4 33 33 A A T 3 S+ 0 0 47 1,-0.3 -1,-0.3 44,-0.2 46,-0.2 -0.247 132.8 5.9 -54.5 135.7 -29.2 -4.2 35.3 34 34 A H T 3 S+ 0 0 101 44,-2.3 120,-2.8 1,-0.2 2,-0.3 0.683 106.5 112.6 61.9 25.0 -28.5 -6.7 32.5 35 35 A E E < -G 153 0C 6 -3,-1.8 42,-2.5 118,-0.3 2,-0.4 -0.819 52.2-149.7-121.1 161.8 -25.0 -7.4 33.7 36 36 A V E -GH 152 76C 0 116,-3.1 116,-2.7 -2,-0.3 2,-0.5 -0.995 5.6-145.7-136.3 132.9 -23.5 -10.7 35.1 37 37 A R E -GH 151 75C 0 38,-2.8 37,-2.2 -2,-0.4 38,-1.4 -0.900 25.3-168.1-100.2 133.7 -20.8 -11.2 37.6 38 38 A I E -GH 150 73C 0 112,-3.0 112,-1.7 -2,-0.5 2,-0.5 -0.963 22.2-137.2-128.0 142.9 -18.7 -14.4 36.9 39 39 A K E -GH 149 72C 94 33,-2.7 33,-2.2 -2,-0.4 2,-0.4 -0.829 31.4-130.4 -95.0 123.6 -16.1 -16.4 38.9 40 40 A M E + H 0 71C 1 108,-2.3 31,-0.3 -2,-0.5 3,-0.1 -0.642 31.8 171.0 -82.1 131.9 -13.3 -17.4 36.5 41 41 A V E + 0 0 40 29,-2.3 333,-2.0 1,-0.4 2,-0.3 0.773 69.2 3.2-104.3 -45.0 -12.3 -21.0 36.5 42 42 A A E -IH 373 70C 0 28,-2.2 28,-2.4 331,-0.2 -1,-0.4 -0.993 58.5-175.2-146.3 148.5 -9.9 -21.1 33.5 43 43 A T E -IH 372 69C 0 329,-2.0 329,-2.9 -2,-0.3 26,-0.3 -0.995 16.1-139.8-146.6 133.2 -8.5 -18.6 31.1 44 44 A G E -IH 371 68C 0 24,-3.4 2,-0.8 -2,-0.3 24,-0.5 -0.650 17.8-124.4 -91.8 157.6 -6.3 -19.0 28.0 45 45 A I - 0 0 3 325,-1.5 325,-0.3 -2,-0.2 2,-0.2 -0.892 32.4-172.8-103.1 103.2 -3.4 -16.8 27.0 46 46 A C >> - 0 0 3 -2,-0.8 3,-1.2 1,-0.1 4,-0.9 -0.639 35.2-118.4 -91.9 154.7 -4.1 -15.6 23.4 47 47 A R H 3> S+ 0 0 94 1,-0.3 4,-1.5 -2,-0.2 3,-0.2 0.789 113.1 67.6 -64.8 -24.2 -1.5 -13.7 21.4 48 48 A S H 3> S+ 0 0 26 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.812 94.4 56.8 -64.1 -28.0 -4.0 -10.8 21.3 49 49 A D H <> S+ 0 0 0 -3,-1.2 4,-1.2 1,-0.2 -1,-0.2 0.871 107.6 48.0 -69.6 -34.5 -3.6 -10.4 25.0 50 50 A D H X S+ 0 0 14 -4,-0.9 4,-2.6 1,-0.2 6,-0.2 0.769 101.2 64.8 -74.7 -28.5 0.2 -9.9 24.4 51 51 A H H X>S+ 0 0 22 -4,-1.5 5,-2.3 2,-0.2 4,-1.4 0.885 100.7 52.4 -61.2 -38.5 -0.6 -7.4 21.6 52 52 A V H <5S+ 0 0 2 -4,-1.2 3,-0.5 3,-0.2 -1,-0.2 0.955 109.1 49.0 -59.9 -49.2 -2.1 -5.2 24.3 53 53 A V H <5S+ 0 0 4 -4,-1.2 -35,-3.3 1,-0.3 -2,-0.2 0.908 115.1 43.5 -59.7 -43.0 1.1 -5.5 26.4 54 54 A S H <5S- 0 0 42 -4,-2.6 -1,-0.3 -37,-0.2 -2,-0.2 0.705 113.0-116.9 -78.7 -15.0 3.3 -4.6 23.4 55 55 A G T <5S+ 0 0 24 -4,-1.4 242,-0.3 -3,-0.5 -3,-0.2 0.596 82.5 122.3 88.1 12.3 1.0 -1.8 22.3 56 56 A T S - 0 0 11 -42,-2.5 3,-1.4 -2,-0.3 -44,-0.2 -0.282 50.1 -58.2 -86.0-177.7 -28.3 -8.1 37.8 78 78 A E T 3 S+ 0 0 160 1,-0.2 -44,-2.3 -47,-0.2 -1,-0.2 -0.352 121.2 16.5 -65.4 134.9 -31.9 -7.0 37.2 79 79 A G T 3 S+ 0 0 45 1,-0.3 -1,-0.2 -46,-0.2 2,-0.2 0.391 81.9 143.6 86.9 -5.4 -33.5 -8.2 34.0 80 80 A V < + 0 0 14 -3,-1.4 -1,-0.3 1,-0.2 -4,-0.1 -0.535 9.4 156.2 -70.3 133.7 -31.0 -10.9 33.2 81 81 A T + 0 0 117 -2,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.577 56.9 67.0-129.9 -26.8 -32.9 -13.9 31.7 82 82 A T S S+ 0 0 63 75,-0.0 2,-0.3 2,-0.0 77,-0.2 0.578 107.1 28.2 -79.1 -12.6 -30.4 -15.9 29.7 83 83 A V - 0 0 1 75,-0.1 6,-0.0 4,-0.0 71,-0.0 -0.957 62.8-162.9-145.3 159.0 -28.2 -17.0 32.6 84 84 A R > - 0 0 185 -2,-0.3 3,-2.1 -9,-0.0 -11,-0.3 -0.946 42.1 -75.0-140.4 157.6 -28.6 -17.8 36.3 85 85 A P T 3 S+ 0 0 75 0, 0.0 -11,-0.2 0, 0.0 3,-0.1 -0.260 119.0 31.7 -53.7 136.6 -26.3 -18.2 39.2 86 86 A G T 3 S+ 0 0 54 -13,-2.8 2,-0.1 1,-0.3 -12,-0.1 0.301 88.4 130.9 96.4 -12.2 -24.5 -21.6 39.0 87 87 A D < - 0 0 34 -3,-2.1 -14,-2.7 -14,-0.1 2,-0.4 -0.460 58.3-127.3 -76.7 146.6 -24.5 -21.7 35.2 88 88 A K E +JK 72 160C 50 72,-0.5 72,-2.2 -16,-0.2 2,-0.3 -0.750 42.1 172.6 -87.2 140.6 -21.2 -22.5 33.4 89 89 A V E -JK 71 159C 0 -18,-2.5 -18,-1.9 -2,-0.4 70,-0.2 -0.977 34.0-138.9-150.6 160.5 -20.6 -19.7 30.8 90 90 A I E - K 0 158C 0 68,-2.2 68,-2.5 -2,-0.3 2,-0.3 -0.995 27.7-128.4-123.9 126.3 -18.1 -18.4 28.3 91 91 A P E - K 0 157C 1 0, 0.0 2,-0.7 0, 0.0 -22,-0.4 -0.613 20.3-136.8 -72.2 136.3 -17.6 -14.6 28.1 92 92 A L - 0 0 3 64,-2.5 -24,-0.1 -2,-0.3 82,-0.1 -0.841 17.0-170.1-101.4 109.5 -17.9 -13.2 24.5 93 93 A W S S+ 0 0 23 -2,-0.7 22,-0.4 80,-0.4 -1,-0.1 0.685 90.6 53.1 -70.3 -11.9 -15.3 -10.7 23.5 94 94 A T S S- 0 0 2 20,-0.1 -1,-0.2 21,-0.1 230,-0.1 -0.968 94.6-144.1-119.4 106.2 -17.5 -10.2 20.4 95 95 A P - 0 0 5 0, 0.0 16,-0.6 0, 0.0 229,-0.3 -0.087 11.6-149.1 -66.9 174.0 -21.1 -9.5 21.7 96 96 A Q + 0 0 25 59,-1.8 61,-0.1 227,-0.1 14,-0.0 -0.642 22.6 167.2-143.9 77.7 -24.4 -10.6 20.1 97 97 A C - 0 0 17 -2,-0.1 -1,-0.1 1,-0.1 59,-0.1 0.690 32.1-148.6 -64.1 -24.1 -27.0 -7.9 21.0 98 98 A G S S+ 0 0 43 1,-0.1 -1,-0.1 57,-0.1 -2,-0.0 0.323 78.6 75.7 71.1 -6.7 -29.4 -9.4 18.5 99 99 A K S S+ 0 0 172 4,-0.0 -1,-0.1 5,-0.0 2,-0.0 0.668 74.0 86.3-106.5 -29.0 -30.9 -6.0 17.6 100 100 A C S > S- 0 0 17 1,-0.1 4,-2.0 5,-0.0 5,-0.2 -0.240 89.2 -95.6 -74.9 172.8 -28.4 -4.2 15.4 101 101 A R T 4 S+ 0 0 67 1,-0.2 4,-0.3 2,-0.2 7,-0.1 0.833 121.6 44.3 -51.5 -47.6 -27.8 -4.2 11.7 102 102 A V T >4 S+ 0 0 0 1,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.913 110.9 52.0 -70.8 -42.0 -25.0 -6.8 11.8 103 103 A C T 34 S+ 0 0 19 1,-0.3 -2,-0.2 6,-0.1 -1,-0.2 0.821 110.2 50.3 -63.6 -34.7 -26.8 -9.2 14.2 104 104 A K T 3< S+ 0 0 156 -4,-2.0 -1,-0.3 2,-0.0 -2,-0.2 0.511 91.0 93.1 -82.5 -5.9 -29.9 -9.2 12.0 105 105 A H S < S- 0 0 48 -3,-1.1 -5,-0.0 -4,-0.3 -3,-0.0 -0.768 79.8-132.4 -88.6 133.3 -27.8 -10.0 8.9 106 106 A P S S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.683 99.7 31.3 -57.9 -19.5 -27.6 -13.7 8.2 107 107 A E S S+ 0 0 107 -5,-0.1 -5,-0.1 215,-0.0 -4,-0.1 0.784 96.7 88.9-109.0 -37.8 -23.8 -13.7 7.6 108 108 A G + 0 0 1 -6,-0.2 553,-0.1 -7,-0.1 -3,-0.1 -0.284 33.7 168.5 -69.4 151.4 -22.3 -11.0 9.8 109 109 A N + 0 0 13 551,-0.3 2,-1.9 214,-0.1 215,-0.3 0.453 45.5 106.1-134.8 -14.5 -21.1 -11.5 13.3 110 110 A F - 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