==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 02-SEP-10 3OQ6 . COMPND 2 MOLECULE: ALCOHOL DEHYDROGENASE E CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; . AUTHOR B.V.PLAPP,T.J.HERDENDORF . 748 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27587.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 504 67.4 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 . 100 13.4 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 . 50 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 137 18.3 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 0 2 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 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 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 0 127 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 149.7 9.5 -1.1 30.2 2 2 A T > + 0 0 65 72,-0.1 3,-2.3 2,-0.1 73,-0.1 0.584 360.0 119.9 -91.4 -11.2 12.2 -2.5 27.9 3 3 A A T 3 S+ 0 0 50 1,-0.3 3,-0.1 71,-0.1 72,-0.1 -0.268 82.5 11.1 -59.9 133.3 12.1 0.5 25.7 4 4 A G T 3 S+ 0 0 64 1,-0.2 2,-0.3 27,-0.1 -1,-0.3 0.389 112.1 101.7 80.8 -4.2 15.5 2.3 25.6 5 5 A K S < S- 0 0 124 -3,-2.3 -1,-0.2 24,-0.1 2,-0.2 -0.796 80.5-101.4-112.0 151.9 17.2 -0.6 27.4 6 6 A V - 0 0 81 -2,-0.3 2,-0.5 23,-0.1 23,-0.2 -0.521 37.0-144.0 -62.4 132.1 19.4 -3.5 26.2 7 7 A I E -A 28 0A 13 21,-2.6 21,-3.2 -2,-0.2 2,-0.5 -0.916 3.8-152.1-100.4 130.0 17.4 -6.7 25.9 8 8 A K E +A 27 0A 133 -2,-0.5 2,-0.3 19,-0.2 19,-0.2 -0.906 37.1 144.8 -92.7 129.2 19.0 -10.0 26.8 9 9 A C E -A 26 0A 4 17,-2.2 17,-3.1 -2,-0.5 2,-0.3 -0.923 49.9 -86.5-152.6 173.2 17.3 -12.8 24.8 10 10 A K E +A 25 0A 90 -2,-0.3 138,-2.7 15,-0.3 2,-0.3 -0.690 44.6 169.0 -86.5 140.0 18.0 -16.1 23.0 11 11 A A E -AB 24 147A 0 13,-2.3 13,-2.3 -2,-0.3 2,-0.9 -0.946 40.3-112.4-140.8 164.8 19.2 -16.1 19.4 12 12 A A E -A 23 0A 0 134,-2.9 53,-0.5 -2,-0.3 2,-0.4 -0.871 39.7-166.1-100.7 102.0 20.6 -18.7 17.0 13 13 A V E -A 22 0A 0 9,-2.8 9,-2.9 -2,-0.9 2,-0.7 -0.752 13.6-152.3 -94.1 132.3 24.2 -17.6 16.5 14 14 A L B +E 63 0B 0 49,-2.7 49,-2.1 -2,-0.4 7,-0.1 -0.920 20.5 170.7-103.6 104.9 26.2 -19.1 13.6 15 15 A W + 0 0 69 -2,-0.7 2,-0.3 5,-0.3 -1,-0.1 0.766 65.5 12.0 -80.5 -31.0 29.8 -18.9 14.8 16 16 A E S > S- 0 0 111 4,-0.2 3,-0.8 3,-0.1 -1,-0.2 -0.982 83.9 -95.5-150.9 146.6 31.3 -21.0 12.0 17 17 A E T 3 S+ 0 0 85 -2,-0.3 37,-0.2 1,-0.2 36,-0.1 -0.307 104.3 19.9 -61.5 152.0 30.3 -22.4 8.6 18 18 A K T 3 S+ 0 0 155 35,-2.7 -1,-0.2 1,-0.2 36,-0.1 0.734 102.4 108.2 62.5 29.7 29.1 -25.9 8.3 19 19 A K S < S- 0 0 103 -3,-0.8 -1,-0.2 34,-0.1 -3,-0.1 -0.914 75.5 -92.1-130.1 153.6 28.2 -26.1 12.1 20 20 A P - 0 0 89 0, 0.0 -5,-0.3 0, 0.0 -4,-0.2 -0.251 48.1 -98.4 -56.3 152.4 24.9 -26.2 14.0 21 21 A F - 0 0 6 -7,-0.1 2,-0.6 -6,-0.1 -7,-0.2 -0.497 33.3-131.8 -65.0 145.6 23.4 -22.9 15.2 22 22 A S E -A 13 0A 34 -9,-2.9 -9,-2.8 -2,-0.2 2,-0.8 -0.917 10.8-150.7-103.5 114.2 24.1 -22.2 18.8 23 23 A I E +A 12 0A 55 -2,-0.6 2,-0.3 -11,-0.2 -11,-0.2 -0.766 45.1 130.7 -86.7 112.6 21.0 -21.1 20.7 24 24 A E E -A 11 0A 30 -13,-2.3 -13,-2.3 -2,-0.8 2,-0.2 -0.952 59.1 -68.2-157.7 170.1 22.3 -18.8 23.4 25 25 A E E +A 10 0A 90 -2,-0.3 108,-0.4 -15,-0.2 2,-0.3 -0.458 45.9 178.3 -73.1 136.5 21.9 -15.5 25.0 26 26 A V E -A 9 0A 1 -17,-3.1 -17,-2.2 -2,-0.2 2,-0.5 -0.871 27.7-123.4-125.5 161.7 22.6 -12.3 23.1 27 27 A E E -AC 8 131A 73 104,-3.0 104,-1.9 -2,-0.3 2,-0.6 -0.939 21.6-160.7-105.8 129.9 22.3 -8.6 24.0 28 28 A V E -AC 7 130A 0 -21,-3.2 -21,-2.6 -2,-0.5 102,-0.2 -0.934 14.0-139.0-116.3 110.7 20.1 -6.6 21.6 29 29 A A - 0 0 29 100,-2.7 -23,-0.1 -2,-0.6 -24,-0.1 -0.289 28.5 -97.5 -63.3 156.2 20.7 -2.9 21.8 30 30 A P - 0 0 37 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.356 52.1 -84.9 -70.6 161.0 17.8 -0.5 21.7 31 31 A P - 0 0 20 0, 0.0 47,-0.3 0, 0.0 3,-0.1 -0.422 39.3-148.9 -71.6 135.7 16.9 1.1 18.4 32 32 A K > - 0 0 116 1,-0.2 3,-1.7 -2,-0.2 45,-0.3 -0.145 54.6 -41.4 -80.7-173.2 18.7 4.2 17.2 33 33 A A T 3 S+ 0 0 51 1,-0.3 -1,-0.2 44,-0.2 46,-0.2 -0.244 133.1 8.4 -54.5 135.7 17.0 6.9 15.1 34 34 A H T 3 S+ 0 0 99 44,-2.5 120,-2.8 1,-0.2 2,-0.3 0.747 105.5 119.6 61.4 31.2 14.9 5.3 12.3 35 35 A E E < -G 153 0C 5 -3,-1.7 42,-3.3 118,-0.3 2,-0.4 -0.849 48.4-153.7-121.9 159.9 15.3 1.8 13.7 36 36 A V E -GH 152 76C 0 116,-2.7 116,-2.6 -2,-0.3 2,-0.5 -0.998 5.8-148.7-136.8 128.3 12.7 -0.6 15.0 37 37 A R E -GH 151 75C 0 38,-2.6 37,-2.7 -2,-0.4 38,-1.7 -0.879 21.6-163.6-102.8 129.8 13.1 -3.3 17.6 38 38 A I E -GH 150 73C 0 112,-2.8 112,-2.0 -2,-0.5 2,-0.7 -0.937 21.3-141.0-122.0 132.7 10.8 -6.3 17.0 39 39 A K E -GH 149 72C 88 33,-3.1 33,-2.7 -2,-0.4 110,-0.2 -0.823 36.3-131.2 -86.2 114.4 9.8 -9.2 19.2 40 40 A M E + H 0 71C 2 108,-2.4 31,-0.3 -2,-0.7 3,-0.1 -0.451 31.7 174.7 -75.6 143.7 9.8 -12.2 16.8 41 41 A V E - 0 0 43 29,-2.5 333,-2.0 1,-0.4 2,-0.3 0.716 66.6 -0.2-112.2 -45.0 6.8 -14.5 16.7 42 42 A A E -IH 373 70C 0 28,-2.1 28,-2.4 331,-0.2 -1,-0.4 -0.997 56.1-175.1-149.8 146.1 7.5 -16.9 13.8 43 43 A T E -IH 372 69C 0 329,-2.0 329,-3.2 -2,-0.3 26,-0.3 -0.998 17.2-137.8-143.1 139.0 10.3 -17.4 11.2 44 44 A G E -I 371 0C 0 24,-2.7 2,-0.8 -2,-0.3 24,-0.5 -0.602 19.0-121.0 -89.5 157.2 10.6 -19.8 8.3 45 45 A I - 0 0 2 325,-1.7 325,-0.3 -2,-0.2 2,-0.3 -0.874 34.9-173.4 -97.8 105.4 13.6 -21.8 7.3 46 46 A C >> - 0 0 4 -2,-0.8 3,-1.4 1,-0.1 4,-1.3 -0.739 35.5-118.7 -96.0 147.7 14.5 -20.7 3.7 47 47 A R H 3> S+ 0 0 93 -2,-0.3 4,-2.1 1,-0.3 5,-0.1 0.843 113.1 65.7 -54.5 -29.4 17.2 -22.5 1.7 48 48 A S H 3> S+ 0 0 26 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.845 96.6 54.8 -65.0 -31.7 19.1 -19.2 1.6 49 49 A D H X> S+ 0 0 0 -3,-1.4 4,-1.2 1,-0.2 3,-0.6 0.913 108.2 49.7 -62.9 -42.5 19.6 -19.4 5.4 50 50 A D H 3X S+ 0 0 12 -4,-1.3 4,-2.6 1,-0.2 -2,-0.2 0.864 101.1 63.0 -62.2 -34.3 21.1 -22.8 4.8 51 51 A H H 3X>S+ 0 0 19 -4,-2.1 6,-1.9 1,-0.2 5,-1.1 0.813 98.6 55.7 -58.4 -35.5 23.3 -21.3 2.1 52 52 A V H <<5S+ 0 0 3 -4,-1.0 3,-0.4 -3,-0.6 -1,-0.2 0.919 110.4 45.6 -60.2 -46.7 24.9 -19.1 4.8 53 53 A V H <5S+ 0 0 6 -4,-1.2 -35,-2.7 1,-0.2 -2,-0.2 0.916 116.3 43.8 -61.6 -44.0 25.7 -22.3 6.8 54 54 A S H <5S- 0 0 37 -4,-2.6 -1,-0.2 -37,-0.2 -2,-0.2 0.611 110.3-117.1 -79.9 -11.8 27.1 -24.2 3.7 55 55 A G T <5S+ 0 0 20 -4,-1.0 242,-0.3 -3,-0.4 -3,-0.2 0.523 83.1 120.9 81.0 6.1 29.1 -21.2 2.4 56 56 A T S - 0 0 10 -42,-3.3 3,-1.5 -2,-0.4 -44,-0.2 -0.257 50.5 -61.8 -74.9 172.2 13.7 4.8 17.6 78 78 A E T 3 S+ 0 0 162 -47,-0.3 -44,-2.5 1,-0.2 -1,-0.2 -0.267 120.4 16.7 -54.7 133.8 13.5 8.5 17.1 79 79 A G T 3 S+ 0 0 46 1,-0.3 -1,-0.2 -46,-0.2 2,-0.2 0.349 80.7 144.6 88.8 -4.6 11.9 9.7 13.9 80 80 A V < + 0 0 15 -3,-1.5 -1,-0.3 -45,-0.2 -4,-0.1 -0.504 12.4 163.6 -69.6 130.3 10.1 6.4 13.0 81 81 A T + 0 0 117 -2,-0.2 -1,-0.1 -3,-0.1 3,-0.1 0.469 59.2 63.1-123.8 -12.0 6.8 7.1 11.4 82 82 A T S S+ 0 0 58 1,-0.1 2,-0.3 75,-0.0 77,-0.3 0.551 105.5 27.9-105.3 -10.6 5.6 3.9 9.6 83 83 A V - 0 0 3 75,-0.1 -1,-0.1 76,-0.0 6,-0.0 -0.967 62.7-159.9-142.4 161.3 5.2 1.5 12.5 84 84 A R > - 0 0 157 -2,-0.3 3,-2.2 -3,-0.1 -11,-0.3 -0.940 41.2 -74.6-135.1 158.4 4.4 1.8 16.2 85 85 A P T 3 S+ 0 0 75 0, 0.0 -11,-0.2 0, 0.0 3,-0.1 -0.246 119.5 28.0 -52.6 136.5 4.9 -0.4 19.2 86 86 A G T 3 S+ 0 0 54 -13,-2.7 2,-0.1 1,-0.3 -12,-0.1 0.177 89.5 130.2 92.7 -14.8 2.4 -3.3 19.2 87 87 A D < - 0 0 26 -3,-2.2 -14,-2.6 -15,-0.1 -1,-0.3 -0.444 61.5-121.1 -69.4 143.4 2.1 -3.4 15.4 88 88 A K E +J 72 0C 46 72,-0.5 72,-2.6 -16,-0.2 2,-0.3 -0.659 43.2 178.3 -78.0 137.5 2.5 -6.7 13.6 89 89 A V E -JK 71 159C 0 -18,-2.6 -18,-2.6 -2,-0.3 70,-0.2 -0.967 30.9-145.3-143.3 153.9 5.3 -6.4 11.1 90 90 A I E - K 0 158C 0 68,-2.1 68,-1.8 -2,-0.3 -20,-0.2 -0.993 28.8-127.2-116.3 123.0 7.3 -8.4 8.5 91 91 A P E - K 0 157C 0 0, 0.0 2,-0.7 0, 0.0 -22,-0.3 -0.433 20.3-136.9 -63.7 145.2 11.0 -7.6 8.2 92 92 A L - 0 0 3 64,-2.7 -24,-0.1 1,-0.1 4,-0.1 -0.898 16.6-170.7-112.1 103.8 12.1 -6.8 4.6 93 93 A F S S+ 0 0 14 -2,-0.7 22,-0.4 80,-0.4 -1,-0.1 0.729 89.3 52.1 -69.2 -23.0 15.3 -8.5 3.6 94 94 A T S S- 0 0 1 20,-0.1 -1,-0.2 -3,-0.1 230,-0.1 -0.981 96.5-143.5-103.0 113.2 15.1 -6.3 0.4 95 95 A P - 0 0 4 0, 0.0 16,-0.6 0, 0.0 229,-0.4 -0.172 10.1-148.8 -70.9 170.0 14.6 -2.8 1.8 96 96 A Q + 0 0 22 59,-2.3 61,-0.1 227,-0.1 14,-0.1 -0.733 20.5 170.8-134.4 91.6 12.5 -0.1 0.2 97 97 A C - 0 0 22 -2,-0.3 -1,-0.1 1,-0.1 59,-0.1 0.777 32.4-144.9 -72.0 -23.4 14.1 3.3 1.0 98 98 A G S S+ 0 0 39 -3,-0.1 -1,-0.1 1,-0.1 -2,-0.0 0.386 81.6 72.2 79.6 -2.3 11.7 5.0 -1.4 99 99 A K S S+ 0 0 173 4,-0.0 -1,-0.1 5,-0.0 2,-0.0 0.640 70.6 89.3-121.8 -25.6 14.3 7.5 -2.4 100 100 A C S > S- 0 0 21 1,-0.1 4,-2.2 5,-0.0 5,-0.2 -0.230 88.1-101.5 -77.1 170.3 16.9 5.8 -4.6 101 101 A R H > S+ 0 0 90 1,-0.2 4,-0.7 2,-0.2 7,-0.2 0.842 122.3 49.5 -62.6 -32.3 16.8 5.5 -8.4 102 102 A V H >4 S+ 0 0 0 2,-0.2 3,-1.1 1,-0.2 6,-0.3 0.950 109.4 49.9 -72.2 -47.6 15.6 1.9 -8.1 103 103 A C H 34 S+ 0 0 14 1,-0.3 -2,-0.2 7,-0.1 -1,-0.2 0.857 112.7 49.4 -57.0 -35.6 12.8 2.6 -5.6 104 104 A K H 3< S+ 0 0 155 -4,-2.2 -1,-0.3 3,-0.0 -2,-0.2 0.627 92.1 95.0 -77.8 -15.1 11.7 5.5 -7.9 105 105 A H S << S- 0 0 45 -3,-1.1 3,-0.3 -4,-0.7 -5,-0.0 -0.568 78.7-130.3 -80.9 141.1 11.6 3.3 -11.0 106 106 A P S S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.805 103.5 27.6 -62.4 -27.9 8.3 1.7 -11.9 107 107 A E S S+ 0 0 103 215,-0.0 2,-0.3 554,-0.0 -4,-0.1 0.446 97.3 98.4-112.1 -10.3 9.8 -1.8 -12.3 108 108 A G + 0 0 0 -6,-0.3 553,-0.1 -3,-0.3 578,-0.1 -0.648 28.3 161.2 -82.2 147.1 12.8 -2.0 -10.0 109 109 A N + 0 0 9 -2,-0.3 2,-2.1 576,-0.3 215,-0.3 0.435 47.6 100.2-130.7 -9.8 12.8 -3.5 -6.5 110 110 A F - 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