==== 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 1AXG . COMPND 2 MOLECULE: ALCOHOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; . AUTHOR T.D.COLBY,J.K.CHIN,B.J.BAHNSON,B.M.GOLDSTEIN,J.P.KLINMAN . 1496 4 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53206.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1068 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 147 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 204 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 134 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 183 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 281 18.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 42 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 12 0 1 4 6 5 8 0 0 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 3 4 12 8 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 13 15 0 4 0 7 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 . 2 0 0 0 0 8 0 0 0 0 2 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 0 146 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 170.0 -24.8 11.7 -49.2 2 2 A T > + 0 0 49 72,-0.1 3,-2.5 2,-0.0 2,-0.1 0.479 360.0 121.0-109.1 -12.9 -23.1 9.3 -46.7 3 3 A A T 3 S+ 0 0 55 1,-0.3 3,-0.1 71,-0.1 72,-0.1 -0.366 83.6 17.4 -56.2 120.5 -26.1 8.8 -44.5 4 4 A G T 3 S+ 0 0 64 1,-0.2 2,-0.3 -2,-0.1 -1,-0.3 0.495 116.1 79.8 93.9 6.5 -26.7 5.1 -44.5 5 5 A K S < S- 0 0 122 -3,-2.5 -1,-0.2 24,-0.1 23,-0.1 -0.959 87.1 -82.5-145.4 159.6 -23.4 4.0 -45.9 6 6 A V - 0 0 64 -2,-0.3 2,-0.5 -3,-0.1 23,-0.2 -0.348 41.4-146.4 -59.7 135.1 -19.7 3.3 -44.9 7 7 A I E -A 28 0A 10 21,-2.3 21,-2.4 -2,-0.0 2,-0.6 -0.932 1.6-150.2-109.1 126.7 -17.7 6.5 -44.8 8 8 A K E +A 27 0A 134 -2,-0.5 2,-0.2 19,-0.2 19,-0.2 -0.887 41.0 132.4 -97.6 117.7 -14.0 6.3 -45.8 9 9 A C E -A 26 0A 7 17,-2.1 17,-2.6 -2,-0.6 2,-0.3 -0.828 53.3 -81.7-148.3-175.0 -12.0 9.0 -43.9 10 10 A K E +A 25 0A 98 -2,-0.2 138,-2.2 15,-0.2 139,-0.3 -0.695 41.2 169.1-101.9 153.1 -8.9 9.4 -41.8 11 11 A A E -AB 24 147A 0 13,-1.8 13,-1.5 -2,-0.3 2,-0.9 -0.938 41.5-102.1-150.9 169.5 -8.3 8.6 -38.2 12 12 A A E -A 23 0A 0 134,-3.0 53,-0.6 -2,-0.3 2,-0.6 -0.831 40.2-167.3-102.1 94.9 -5.4 8.2 -35.7 13 13 A V E -AC 22 64A 0 9,-2.4 9,-2.0 -2,-0.9 2,-1.0 -0.755 11.0-158.5 -90.2 119.6 -4.9 4.5 -35.3 14 14 A L E + C 0 63A 0 49,-2.8 49,-2.1 -2,-0.6 7,-0.1 -0.850 18.3 171.1 -96.8 98.7 -2.7 3.4 -32.4 15 15 A W + 0 0 47 -2,-1.0 2,-0.3 5,-0.4 -1,-0.2 0.913 64.7 13.2 -73.5 -47.8 -1.5 -0.0 -33.5 16 16 A E S > S- 0 0 114 4,-0.2 3,-0.8 45,-0.1 -1,-0.1 -0.842 88.0 -92.8-129.8 162.2 1.0 -0.6 -30.8 17 17 A E T 3 S+ 0 0 109 -2,-0.3 37,-0.2 1,-0.2 36,-0.2 -0.300 107.8 19.3 -69.2 161.5 1.9 1.1 -27.5 18 18 A K T 3 S+ 0 0 158 35,-2.3 -1,-0.2 32,-0.2 36,-0.1 0.777 103.0 117.5 45.4 36.3 4.6 3.8 -27.4 19 19 A K S < S- 0 0 104 -3,-0.8 -1,-0.2 34,-0.1 2,-0.1 -0.862 71.2 -94.0-127.4 156.8 4.1 4.2 -31.1 20 20 A P - 0 0 88 0, 0.0 2,-1.0 0, 0.0 -5,-0.4 -0.404 43.8 -99.4 -71.2 150.2 2.9 7.3 -33.2 21 21 A F - 0 0 1 -7,-0.1 2,-0.5 -2,-0.1 335,-0.2 -0.586 40.5-138.5 -71.1 103.3 -0.8 7.7 -34.1 22 22 A S E -A 13 0A 42 -9,-2.0 -9,-2.4 -2,-1.0 2,-1.0 -0.538 8.0-145.7 -69.0 114.2 -0.7 6.4 -37.7 23 23 A I E +A 12 0A 49 -2,-0.5 2,-0.3 -11,-0.2 -11,-0.2 -0.770 44.8 139.8 -83.6 104.3 -2.9 8.8 -39.7 24 24 A E E -A 11 0A 29 -13,-1.5 -13,-1.8 -2,-1.0 2,-0.5 -0.912 57.4 -78.3-141.6 169.3 -4.4 6.4 -42.2 25 25 A E E +A 10 0A 110 -2,-0.3 108,-0.5 -15,-0.2 2,-0.3 -0.608 48.1 174.6 -77.6 121.2 -7.7 5.7 -44.0 26 26 A V E -A 9 0A 1 -17,-2.6 -17,-2.1 -2,-0.5 2,-0.4 -0.859 28.0-123.3-122.0 155.3 -10.3 3.8 -41.9 27 27 A E E -AD 8 131A 70 104,-2.6 104,-1.4 -2,-0.3 2,-0.6 -0.832 16.6-154.8-100.6 136.6 -13.9 2.8 -42.7 28 28 A V E -AD 7 130A 0 -21,-2.4 -21,-2.3 -2,-0.4 102,-0.2 -0.964 15.8-139.1-113.6 114.4 -16.6 4.0 -40.4 29 29 A A - 0 0 28 100,-1.5 3,-0.1 -2,-0.6 -23,-0.1 -0.394 30.8 -94.3 -70.5 148.7 -19.7 1.8 -40.6 30 30 A P - 0 0 44 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.251 54.5 -87.2 -59.7 152.5 -23.1 3.4 -40.5 31 31 A P - 0 0 18 0, 0.0 47,-0.1 0, 0.0 3,-0.1 -0.409 42.6-144.8 -66.3 134.5 -24.7 3.6 -37.0 32 32 A K > - 0 0 111 1,-0.2 3,-1.7 45,-0.1 45,-0.1 -0.054 52.4 -38.5 -79.5-167.9 -26.7 0.6 -35.9 33 33 A A T 3 S+ 0 0 58 1,-0.3 -1,-0.2 44,-0.2 46,-0.2 -0.295 131.2 2.4 -58.4 134.0 -29.8 0.8 -33.8 34 34 A H T 3 S+ 0 0 102 44,-3.0 120,-2.5 1,-0.2 2,-0.3 0.717 107.8 116.1 61.1 24.5 -29.7 3.4 -31.0 35 35 A E E < -G 153 0B 3 -3,-1.7 42,-2.8 118,-0.3 2,-0.4 -0.780 52.0-146.0-117.9 164.6 -26.2 4.6 -32.1 36 36 A V E -GH 152 76B 0 116,-3.2 116,-3.3 -2,-0.3 2,-0.5 -0.996 2.3-150.8-136.9 135.1 -25.0 7.9 -33.5 37 37 A R E -GH 151 75B 0 38,-2.6 37,-2.4 -2,-0.4 38,-1.6 -0.931 21.7-166.0-105.6 126.6 -22.4 8.8 -36.1 38 38 A I E -GH 150 73B 0 112,-2.6 112,-1.8 -2,-0.5 2,-0.6 -0.887 21.0-134.3-119.1 145.0 -20.7 12.2 -35.6 39 39 A K E -GH 149 72B 86 33,-3.2 33,-2.2 -2,-0.3 2,-0.4 -0.857 33.3-127.6 -93.0 118.9 -18.5 14.4 -37.8 40 40 A M E + H 0 71B 1 108,-2.6 31,-0.2 -2,-0.6 3,-0.1 -0.573 33.6 171.1 -75.8 128.0 -15.6 15.6 -35.7 41 41 A V E - 0 0 29 29,-2.0 333,-2.0 1,-0.4 2,-0.3 0.832 69.7 -5.5 -98.9 -46.4 -15.1 19.3 -35.7 42 42 A A E -IH 373 70B 0 28,-1.9 28,-2.0 331,-0.2 -1,-0.4 -0.987 59.7-169.2-153.2 140.3 -12.4 19.7 -33.0 43 43 A T E -IH 372 69B 0 329,-2.4 329,-3.0 -2,-0.3 2,-0.3 -0.997 16.6-135.2-135.4 136.2 -10.8 17.3 -30.5 44 44 A G E -IH 371 68B 0 24,-2.4 2,-0.9 -2,-0.4 24,-0.5 -0.692 18.6-124.6 -92.0 141.7 -8.6 18.1 -27.5 45 45 A I - 0 0 3 325,-1.7 325,-0.4 -2,-0.3 2,-0.3 -0.774 34.6-171.0 -87.3 107.3 -5.4 16.1 -26.7 46 46 A C >> - 0 0 6 -2,-0.9 3,-1.9 323,-0.1 4,-1.1 -0.809 32.8-123.1-100.3 143.7 -5.9 14.8 -23.2 47 47 A R H 3> S+ 0 0 96 -2,-0.3 4,-2.1 1,-0.3 5,-0.1 0.749 109.3 69.6 -56.7 -25.0 -3.1 13.2 -21.1 48 48 A S H 3> S+ 0 0 27 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.858 97.0 52.2 -63.4 -31.3 -5.4 10.2 -20.7 49 49 A D H X> S+ 0 0 0 -3,-1.9 4,-1.3 2,-0.2 3,-0.9 0.937 105.8 52.2 -69.1 -45.1 -4.9 9.5 -24.5 50 50 A D H 3X S+ 0 0 13 -4,-1.1 4,-2.7 1,-0.3 3,-0.5 0.893 103.1 61.5 -57.2 -37.3 -1.1 9.7 -24.1 51 51 A H H 3X>S+ 0 0 20 -4,-2.1 4,-1.8 1,-0.3 5,-0.9 0.861 98.3 55.4 -55.3 -40.6 -1.6 7.1 -21.3 52 52 A V H <<5S+ 0 0 2 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.875 111.1 45.6 -61.0 -37.6 -3.1 4.7 -23.9 53 53 A V H <5S+ 0 0 5 -4,-1.3 -35,-2.3 -3,-0.5 -2,-0.2 0.993 115.8 42.8 -68.5 -61.6 0.2 5.1 -25.8 54 54 A S H <5S- 0 0 40 -4,-2.7 -2,-0.2 -37,-0.2 -1,-0.2 0.683 112.7-118.3 -59.8 -18.5 2.5 4.7 -22.9 55 55 A G T <5S+ 0 0 16 -4,-1.8 242,-0.3 -5,-0.3 -3,-0.2 0.392 82.4 120.3 94.4 -4.0 0.4 1.8 -21.6 56 56 A T S - 0 0 14 -42,-2.8 3,-1.1 -2,-0.3 -44,-0.2 -0.058 50.7 -50.3 -86.6-166.1 -29.6 4.8 -36.0 78 78 A E T 3 S+ 0 0 150 1,-0.2 -44,-3.0 -47,-0.1 -1,-0.2 -0.378 121.0 8.2 -68.6 142.6 -33.0 3.2 -35.3 79 79 A G T 3 S+ 0 0 42 1,-0.2 -1,-0.2 -46,-0.2 2,-0.2 0.404 83.2 144.9 71.3 -4.5 -34.8 4.4 -32.2 80 80 A V < + 0 0 15 -3,-1.1 -1,-0.2 1,-0.2 -4,-0.1 -0.505 11.2 160.5 -67.5 136.5 -32.5 7.3 -31.4 81 81 A T + 0 0 116 -2,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.607 56.1 68.6-127.8 -32.3 -34.6 10.1 -30.0 82 82 A T S S+ 0 0 64 75,-0.0 2,-0.3 1,-0.0 77,-0.1 0.757 104.8 32.1 -66.4 -29.8 -32.2 12.5 -28.0 83 83 A V - 0 0 2 75,-0.1 3,-0.0 4,-0.0 6,-0.0 -0.924 62.0-162.3-131.5 157.2 -30.3 13.8 -31.1 84 84 A R > - 0 0 177 -2,-0.3 3,-1.7 1,-0.1 -11,-0.3 -0.900 42.7 -77.7-131.6 158.7 -31.1 14.5 -34.7 85 85 A P T 3 S+ 0 0 77 0, 0.0 -11,-0.2 0, 0.0 3,-0.1 -0.239 116.8 33.9 -57.2 145.7 -28.8 15.1 -37.7 86 86 A G T 3 S+ 0 0 53 -13,-3.1 2,-0.2 1,-0.3 -12,-0.1 0.318 86.3 133.6 91.8 -9.7 -27.2 18.5 -37.7 87 87 A D < - 0 0 27 -3,-1.7 -14,-2.5 -14,-0.1 2,-0.6 -0.531 59.1-125.8 -78.8 139.5 -27.0 18.8 -34.0 88 88 A K E +J 72 0B 50 72,-0.4 72,-2.6 -16,-0.2 2,-0.3 -0.768 44.0 175.0 -83.0 121.0 -23.8 20.0 -32.3 89 89 A V E -JK 71 159B 0 -18,-2.0 -18,-2.6 -2,-0.6 70,-0.2 -0.917 30.6-143.4-132.4 158.1 -22.9 17.2 -29.8 90 90 A I E - K 0 158B 0 68,-2.3 68,-2.1 -2,-0.3 2,-0.2 -0.979 27.1-124.0-121.4 125.8 -20.1 16.3 -27.4 91 91 A P E - K 0 157B 0 0, 0.0 2,-0.8 0, 0.0 -22,-0.4 -0.539 20.1-140.4 -69.0 136.9 -19.2 12.6 -26.9 92 92 A L - 0 0 3 64,-2.3 -24,-0.1 -2,-0.2 82,-0.1 -0.879 12.4-167.0-103.1 104.9 -19.4 11.5 -23.3 93 93 A F S S+ 0 0 17 -2,-0.8 22,-0.5 80,-0.5 -1,-0.1 0.612 87.9 56.2 -64.5 -11.4 -16.5 9.2 -22.5 94 94 A T S S- 0 0 2 20,-0.1 231,-0.2 61,-0.1 -1,-0.1 -0.991 93.2-141.1-121.5 111.9 -18.6 8.5 -19.3 95 95 A P - 0 0 4 0, 0.0 16,-0.6 0, 0.0 229,-0.2 -0.198 11.9-154.0 -70.6 165.3 -22.1 7.2 -20.3 96 96 A Q + 0 0 29 59,-1.1 61,-0.1 227,-0.1 14,-0.0 -0.629 18.2 170.6-141.2 74.4 -25.5 8.0 -18.7 97 97 A a - 0 0 15 -2,-0.1 -1,-0.1 1,-0.1 59,-0.0 0.700 33.3-145.5 -57.2 -22.6 -27.8 5.1 -19.5 98 98 A G S S+ 0 0 47 1,-0.1 -1,-0.1 -3,-0.1 -2,-0.0 0.578 84.3 70.6 65.9 7.9 -30.3 6.6 -17.0 99 99 A K S S+ 0 0 164 5,-0.0 -1,-0.1 0, 0.0 5,-0.1 0.673 73.9 88.1-119.3 -45.2 -31.3 3.1 -16.0 100 100 A C S > S- 0 0 18 1,-0.1 4,-1.8 3,-0.1 3,-0.5 -0.131 88.6 -99.2 -58.5 163.2 -28.4 1.6 -14.0 101 101 A R H > S+ 0 0 69 1,-0.2 4,-1.0 2,-0.2 3,-0.1 0.838 120.2 46.6 -47.6 -54.5 -27.9 1.9 -10.3 102 102 A V H 4 S+ 0 0 0 1,-0.2 6,-0.4 2,-0.2 -1,-0.2 0.836 111.5 52.1 -63.9 -35.2 -25.3 4.7 -10.4 103 103 A C H 4 S+ 0 0 17 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.809 109.7 48.7 -70.3 -35.8 -27.4 6.8 -12.9 104 104 A K H < S+ 0 0 161 -4,-1.8 -1,-0.2 -3,-0.1 -2,-0.2 0.686 93.0 98.6 -76.6 -19.1 -30.5 6.5 -10.7 105 105 A H S >< S- 0 0 42 -4,-1.0 3,-0.7 -5,-0.2 -5,-0.0 -0.480 80.5-129.2 -70.4 138.4 -28.4 7.6 -7.7 106 106 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.742 102.1 21.1 -60.4 -26.9 -28.7 11.3 -6.9 107 107 A E T 3 S+ 0 0 101 554,-0.1 2,-0.3 -5,-0.0 -4,-0.1 0.224 98.0 104.3-129.8 17.2 -24.9 11.9 -6.8 108 108 A G < + 0 0 0 -3,-0.7 553,-0.1 -6,-0.4 3,-0.1 -0.710 28.0 163.4 -99.7 152.3 -23.3 9.1 -8.8 109 109 A N + 0 0 9 551,-0.6 2,-2.3 -2,-0.3 215,-0.3 0.475 47.6 98.6-141.4 -15.3 -21.9 9.5 -12.3 110 110 A F - 0 0 1 550,-0.4 -8,-0.2 575,-0.2 550,-0.1 -0.540 68.7-155.2 -79.4 74.9 -19.7 6.6 -13.0 111 111 A a > - 0 0 1 -2,-2.3 3,-2.1 -16,-0.6 -15,-0.0 -0.272 19.1-124.3 -53.2 138.3 -22.5 4.8 -15.0 112 112 A L T 3 S+ 0 0 79 1,-0.3 -1,-0.1 3,-0.1 -16,-0.1 0.673 106.7 70.4 -60.2 -17.9 -22.1 1.1 -15.1 113 113 A K T 3 S+ 0 0 76 -18,-0.1 -1,-0.3 2,-0.1 -17,-0.1 0.525 76.7 123.0 -78.4 -4.2 -22.2 1.2 -18.9 114 114 A N < - 0 0 16 -3,-2.1 4,-0.2 -19,-0.2 -20,-0.1 -0.017 58.2-148.7 -54.3 162.4 -18.8 2.8 -18.9 115 115 A D S S+ 0 0 13 -22,-0.5 26,-0.4 26,-0.1 6,-0.2 -0.087 75.7 89.3-124.7 31.7 -15.8 1.3 -20.7 116 116 A L S S+ 0 0 22 2,-0.1 -58,-0.1 3,-0.1 -1,-0.1 0.858 87.2 36.7 -97.9 -45.7 -13.2 2.5 -18.3 117 117 A S S S+ 0 0 50 1,-0.3 -2,-0.1 568,-0.0 564,-0.0 0.858 132.8 25.8 -78.0 -37.8 -12.8 -0.1 -15.5 118 118 A M S S- 0 0 151 -4,-0.2 2,-0.5 -59,-0.0 -1,-0.3 -0.733 87.6-154.9-126.0 78.2 -13.2 -3.1 -17.8 119 119 A P + 0 0 40 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.414 27.5 164.9 -63.0 109.0 -12.1 -1.8 -21.3 120 120 A R - 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