==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 14-OCT-95 1DEH . COMPND 2 MOLECULE: HUMAN BETA1 ALCOHOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.D.HURLEY,G.J.DAVIS . 748 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27464.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 509 68.0 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 . 102 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 . 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 . 92 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 17.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.7 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 4 0 0 2 4 2 4 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 . 3 5 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 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 0 141 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 133.3 16.3 13.4 2.5 2 2 A T > + 0 0 51 72,-0.1 3,-1.9 5,-0.0 2,-0.2 0.242 360.0 130.6-154.1 -3.2 14.9 10.2 0.9 3 3 A A T 3 S+ 0 0 55 1,-0.3 3,-0.1 71,-0.1 72,-0.0 -0.381 78.9 14.0 -66.6 129.7 17.7 9.1 -1.3 4 4 A G T 3 S+ 0 0 63 1,-0.3 2,-0.3 -2,-0.2 -1,-0.3 0.234 111.5 101.8 90.1 -10.3 18.6 5.5 -0.9 5 5 A K S < S- 0 0 107 -3,-1.9 2,-0.4 24,-0.1 -1,-0.3 -0.730 82.3-105.2-108.9 155.8 15.3 4.9 0.9 6 6 A V - 0 0 92 -2,-0.3 2,-0.3 -3,-0.1 23,-0.2 -0.624 39.6-143.4 -74.1 123.4 12.0 3.4 -0.2 7 7 A I E -A 28 0A 12 21,-2.3 21,-3.2 -2,-0.4 2,-0.5 -0.707 6.1-151.9 -92.7 145.2 9.6 6.3 -0.6 8 8 A K E +A 27 0A 136 -2,-0.3 2,-0.2 19,-0.2 19,-0.2 -0.981 35.2 138.6-116.3 125.4 6.0 5.9 0.4 9 9 A C E -A 26 0A 5 17,-2.3 17,-2.9 -2,-0.5 2,-0.3 -0.817 50.9 -81.3-150.0-173.9 3.5 8.1 -1.6 10 10 A K E +A 25 0A 80 15,-0.3 138,-2.1 -2,-0.2 2,-0.3 -0.777 43.8 166.7-100.3 147.6 0.2 8.3 -3.3 11 11 A A E -AB 24 147A 0 13,-2.0 13,-2.6 -2,-0.3 2,-0.8 -0.967 39.7-110.2-153.6 157.5 -0.4 7.0 -6.9 12 12 A A E -A 23 0A 0 134,-2.7 53,-0.5 -2,-0.3 2,-0.4 -0.863 37.8-163.5 -98.3 109.7 -3.4 6.3 -9.1 13 13 A V E -AC 22 64A 0 9,-3.0 9,-2.4 -2,-0.8 2,-0.7 -0.748 15.1-154.6 -97.8 136.2 -3.6 2.5 -9.6 14 14 A L E + C 0 63A 0 49,-2.2 49,-2.3 -2,-0.4 7,-0.1 -0.949 19.2 171.4-105.9 107.0 -5.7 0.8 -12.2 15 15 A W + 0 0 66 -2,-0.7 2,-0.3 5,-0.4 -1,-0.2 0.819 67.4 14.4 -85.1 -32.9 -6.5 -2.7 -10.8 16 16 A E S > S- 0 0 121 4,-0.2 3,-1.0 45,-0.1 -1,-0.3 -0.973 86.4 -96.2-143.3 152.6 -8.9 -3.7 -13.5 17 17 A V T 3 S+ 0 0 51 -2,-0.3 37,-0.2 1,-0.2 36,-0.2 -0.338 105.2 19.5 -68.3 147.7 -10.0 -2.5 -17.0 18 18 A K T 3 S+ 0 0 154 35,-2.7 -1,-0.2 1,-0.2 36,-0.1 0.682 101.5 114.5 65.3 24.9 -13.0 -0.2 -17.3 19 19 A K S < S- 0 0 109 -3,-1.0 -1,-0.2 34,-0.1 3,-0.1 -0.874 72.5 -96.5-123.5 153.1 -12.8 0.8 -13.6 20 20 A P - 0 0 93 0, 0.0 -5,-0.4 0, 0.0 -4,-0.2 -0.150 47.5 -95.4 -64.3 160.1 -12.0 4.1 -11.9 21 21 A F - 0 0 11 -7,-0.1 2,-0.6 -6,-0.1 -7,-0.2 -0.582 34.5-143.2 -75.5 141.9 -8.5 4.9 -10.8 22 22 A S E -A 13 0A 42 -9,-2.4 -9,-3.0 -2,-0.2 2,-0.8 -0.953 7.5-140.5-111.5 118.6 -7.9 4.1 -7.1 23 23 A I E +A 12 0A 53 -2,-0.6 2,-0.3 -11,-0.2 -11,-0.2 -0.714 39.2 163.4 -80.9 110.9 -5.6 6.6 -5.3 24 24 A E E -A 11 0A 26 -13,-2.6 -13,-2.0 -2,-0.8 2,-0.4 -0.873 43.6-102.2-130.7 161.9 -3.5 4.4 -3.0 25 25 A D E +A 10 0A 74 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.3 -0.679 45.6 177.1 -81.2 133.0 -0.3 4.5 -1.0 26 26 A V E -A 9 0A 0 -17,-2.9 -17,-2.3 -2,-0.4 2,-0.4 -0.850 29.0-122.1-132.9 164.9 2.5 2.7 -2.7 27 27 A E E -AD 8 131A 44 104,-2.1 104,-1.5 -2,-0.3 2,-0.6 -0.920 19.3-156.3-108.7 134.7 6.2 2.2 -2.0 28 28 A V E -AD 7 130A 0 -21,-3.2 -21,-2.3 -2,-0.4 102,-0.2 -0.943 15.5-138.3-116.1 106.6 8.7 3.4 -4.6 29 29 A A - 0 0 34 100,-2.5 -23,-0.1 -2,-0.6 3,-0.1 -0.237 31.0 -97.4 -58.7 146.7 12.0 1.5 -4.5 30 30 A P - 0 0 40 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.236 51.5 -85.9 -63.9 161.1 15.1 3.6 -4.8 31 31 A P - 0 0 20 0, 0.0 47,-0.2 0, 0.0 3,-0.1 -0.416 37.4-144.1 -71.6 143.5 16.7 3.8 -8.3 32 32 A K > - 0 0 88 1,-0.2 3,-1.4 45,-0.2 45,-0.2 -0.068 52.5 -46.4 -88.4-168.9 19.2 1.2 -9.5 33 33 A A T 3 S+ 0 0 35 1,-0.3 -1,-0.2 44,-0.2 46,-0.2 -0.370 132.0 10.3 -60.1 142.0 22.2 1.9 -11.7 34 34 A Y T 3 S+ 0 0 140 44,-2.1 120,-2.9 1,-0.2 2,-0.3 0.804 105.9 115.8 57.2 29.9 21.2 4.1 -14.7 35 35 A E E < -G 153 0B 4 -3,-1.4 42,-2.7 118,-0.3 2,-0.4 -0.933 50.8-152.5-125.9 155.0 17.8 4.8 -13.2 36 36 A V E -GH 152 76B 0 116,-2.9 116,-2.4 -2,-0.3 2,-0.5 -0.995 5.5-149.0-131.6 124.6 16.4 8.1 -12.0 37 37 A R E -GH 151 75B 0 38,-2.2 37,-2.2 -2,-0.4 38,-1.5 -0.846 24.8-162.9 -93.3 133.0 13.7 8.6 -9.4 38 38 A I E -GH 150 73B 0 112,-3.4 112,-1.9 -2,-0.5 2,-0.7 -0.912 21.0-139.4-123.6 142.7 11.6 11.6 -10.1 39 39 A K E -GH 149 72B 82 33,-3.3 33,-2.7 -2,-0.4 110,-0.2 -0.874 33.4-129.4 -98.5 118.1 9.3 13.8 -8.1 40 40 A M E + H 0 71B 1 108,-2.0 31,-0.3 -2,-0.7 3,-0.1 -0.372 33.1 170.1 -70.5 140.5 6.3 14.6 -10.3 41 41 A V E + 0 0 34 29,-2.2 333,-1.5 1,-0.4 2,-0.3 0.700 69.0 1.3-116.6 -37.8 5.1 18.3 -10.7 42 42 A A E -IH 373 70B 0 28,-2.1 28,-2.1 331,-0.2 -1,-0.4 -0.976 57.3-169.7-156.7 139.5 2.5 18.1 -13.5 43 43 A V E -IH 372 69B 0 329,-1.8 329,-2.9 -2,-0.3 2,-0.3 -0.970 14.1-142.6-129.7 142.3 1.1 15.4 -15.7 44 44 A G E -IH 371 68B 0 24,-3.4 2,-0.7 -2,-0.3 24,-0.6 -0.745 19.3-124.7-103.3 151.4 -1.1 15.7 -18.8 45 45 A I - 0 0 3 325,-1.3 325,-0.4 -2,-0.3 2,-0.3 -0.896 31.6-173.7 -99.6 113.3 -4.0 13.2 -19.6 46 46 A C >> - 0 0 5 -2,-0.7 4,-1.2 323,-0.1 3,-0.8 -0.698 35.6-118.8-100.5 152.6 -3.5 11.7 -23.0 47 47 A R H 3> S+ 0 0 92 -2,-0.3 4,-1.2 1,-0.2 -1,-0.1 0.737 110.2 70.2 -64.3 -21.5 -6.0 9.4 -24.7 48 48 A T H 3> S+ 0 0 26 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.896 97.0 50.2 -63.2 -36.8 -3.4 6.6 -24.8 49 49 A D H X> S+ 0 0 0 -3,-0.8 4,-1.4 1,-0.2 3,-1.1 0.935 110.5 50.6 -63.7 -43.3 -3.7 6.3 -21.0 50 50 A D H 3X S+ 0 0 8 -4,-1.2 4,-2.4 1,-0.2 -1,-0.2 0.709 99.0 66.8 -67.3 -18.8 -7.5 6.1 -21.6 51 51 A H H 3X>S+ 0 0 19 -4,-1.2 6,-2.1 -3,-0.2 5,-1.5 0.776 100.9 48.2 -72.8 -25.6 -6.9 3.4 -24.1 52 52 A V H X<5S+ 0 0 2 -3,-1.1 3,-0.6 -4,-0.8 -2,-0.2 0.939 111.9 48.7 -77.8 -46.3 -5.7 1.0 -21.4 53 53 A V H 3<5S+ 0 0 17 -4,-1.4 -35,-2.7 1,-0.3 -2,-0.2 0.930 114.1 45.5 -56.5 -52.7 -8.6 1.8 -19.1 54 54 A S H 3<5S- 0 0 33 -4,-2.4 -1,-0.3 -37,-0.2 -2,-0.2 0.668 115.8-117.0 -66.4 -19.4 -11.1 1.2 -21.9 55 55 A G T <<5S+ 0 0 32 -3,-0.6 -3,-0.2 -4,-0.5 -4,-0.1 0.550 82.7 117.3 94.1 10.0 -9.3 -1.9 -23.0 56 56 A N S - 0 0 12 -42,-2.7 3,-1.1 -2,-0.3 -44,-0.2 -0.160 49.2 -64.0 -81.0-176.6 21.3 5.6 -9.4 78 78 A E T 3 S+ 0 0 144 -47,-0.2 -44,-2.1 1,-0.2 -1,-0.2 -0.465 121.3 22.7 -71.1 137.5 24.9 4.5 -9.9 79 79 A G T 3 S+ 0 0 40 1,-0.3 -1,-0.2 -46,-0.2 2,-0.2 0.112 83.4 137.8 96.6 -23.0 26.3 5.3 -13.3 80 80 A V < + 0 0 20 -3,-1.1 -1,-0.3 -45,-0.2 -4,-0.1 -0.389 13.0 157.1 -62.8 129.0 23.9 8.1 -14.1 81 81 A T + 0 0 122 -2,-0.2 -1,-0.1 -3,-0.1 -3,-0.0 0.472 57.5 69.8-129.2 -12.2 25.7 11.0 -15.8 82 82 A T S S+ 0 0 56 75,-0.0 2,-0.3 1,-0.0 77,-0.2 0.554 104.5 24.4 -89.6 -9.8 23.0 12.9 -17.8 83 83 A V - 0 0 13 75,-0.0 -7,-0.0 76,-0.0 6,-0.0 -0.934 59.8-158.1-145.7 169.5 21.1 14.4 -14.8 84 84 A K > - 0 0 133 -2,-0.3 3,-2.1 -9,-0.1 -11,-0.3 -0.961 43.8 -75.4-147.5 155.2 21.5 15.3 -11.2 85 85 A P T 3 S+ 0 0 73 0, 0.0 -11,-0.2 0, 0.0 3,-0.1 -0.234 118.7 33.1 -52.1 140.9 19.1 15.8 -8.3 86 86 A G T 3 S+ 0 0 54 -13,-2.9 -12,-0.1 1,-0.3 2,-0.1 0.120 87.4 131.8 97.3 -22.1 17.2 19.1 -8.6 87 87 A D < - 0 0 17 -3,-2.1 -14,-2.6 -14,-0.1 2,-0.3 -0.370 59.2-124.1 -67.6 142.9 17.1 19.0 -12.4 88 88 A K E +J 72 0B 49 72,-0.4 72,-2.3 -16,-0.2 2,-0.3 -0.690 43.8 171.2 -83.6 136.7 13.9 19.7 -14.3 89 89 A V E -JK 71 159B 0 -18,-2.3 -18,-2.3 -2,-0.3 70,-0.2 -0.976 33.5-142.5-148.8 160.8 13.1 16.7 -16.5 90 90 A I E - K 0 158B 0 68,-2.1 68,-2.5 -2,-0.3 2,-0.2 -0.992 24.2-134.3-125.9 120.9 10.6 15.2 -18.8 91 91 A P E - K 0 157B 0 0, 0.0 2,-0.5 0, 0.0 -22,-0.4 -0.603 21.1-136.1 -74.8 149.3 10.2 11.4 -18.9 92 92 A L - 0 0 0 64,-3.2 82,-0.1 -2,-0.2 -24,-0.1 -0.913 8.8-151.0-112.9 121.6 9.9 9.9 -22.4 93 93 A F S S+ 0 0 23 80,-0.6 22,-0.4 -2,-0.5 -1,-0.1 0.660 95.4 41.8 -64.1 -12.1 7.4 7.2 -23.4 94 94 A T S S- 0 0 2 20,-0.1 230,-0.1 62,-0.1 -1,-0.1 -0.999 90.7-139.3-134.1 120.6 9.9 6.0 -26.0 95 95 A P - 0 0 7 0, 0.0 16,-0.6 0, 0.0 229,-0.3 -0.185 8.2-142.3 -75.7 174.3 13.5 5.9 -25.0 96 96 A Q + 0 0 22 59,-2.1 14,-0.1 227,-0.1 227,-0.0 -0.660 24.3 170.7-135.7 75.3 16.6 6.8 -26.9 97 97 A C - 0 0 13 -2,-0.2 -1,-0.1 1,-0.1 59,-0.1 0.697 32.0-147.0 -57.3 -25.2 19.1 4.1 -25.8 98 98 A G S S+ 0 0 41 1,-0.1 -1,-0.1 57,-0.1 -2,-0.0 0.538 78.6 75.1 69.3 9.1 21.5 5.4 -28.5 99 99 A K S S+ 0 0 167 5,-0.0 -1,-0.1 0, 0.0 2,-0.1 0.488 71.0 91.4-126.2 -12.0 23.0 2.0 -29.3 100 100 A C S > S- 0 0 12 1,-0.1 4,-2.0 5,-0.0 5,-0.2 -0.352 88.1-102.9 -86.1 167.3 20.3 0.1 -31.2 101 101 A R H > S+ 0 0 67 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.899 122.9 49.6 -52.3 -42.8 19.9 -0.0 -35.0 102 102 A V H 4 S+ 0 0 0 1,-0.2 6,-0.4 2,-0.2 -1,-0.2 0.896 109.0 49.3 -65.7 -43.2 17.0 2.4 -34.7 103 103 A C H 4 S+ 0 0 17 1,-0.2 -1,-0.2 7,-0.1 -2,-0.2 0.795 112.0 49.2 -67.1 -33.2 18.8 5.0 -32.6 104 104 A K H < S+ 0 0 140 -4,-2.0 -1,-0.2 3,-0.0 -2,-0.2 0.885 92.8 86.5 -71.9 -41.1 21.8 4.9 -35.0 105 105 A N S >< S- 0 0 40 -4,-2.0 3,-1.5 -5,-0.2 -5,-0.0 -0.481 74.6-149.7 -63.7 111.5 19.5 5.4 -37.9 106 106 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.2 0, 0.0 217,-0.1 0.625 90.8 51.4 -59.1 -15.5 19.1 9.2 -38.2 107 107 A E T 3 S+ 0 0 146 -5,-0.0 2,-0.3 554,-0.0 -4,-0.1 0.528 100.3 65.4-101.6 -10.2 15.6 8.9 -39.6 108 108 A S < + 0 0 4 -3,-1.5 553,-0.1 -6,-0.4 578,-0.1 -0.883 44.5 177.0-115.9 152.1 13.9 6.6 -37.1 109 109 A N + 0 0 12 -2,-0.3 2,-2.6 551,-0.3 215,-0.3 0.464 46.5 111.8-127.2 -11.3 13.1 7.1 -33.5 110 110 A Y - 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0 0 9 -5,-2.9 -1,-0.3 -6,-0.2 -17,-0.2 -0.396 33.8-156.5 -62.4 136.7 21.7 -9.2 -56.2 613 238 B T S S- 0 0 66 -19,-2.3 2,-0.3 1,-0.3 -18,-0.2 0.721 73.9 -1.0 -87.2 -22.9 23.9 -10.2 -53.3 614 239 B E E -u 595 0C 53 -20,-1.6 -18,-3.1 -7,-0.0 2,-0.4 -0.983 64.1-136.4-162.6 158.9 21.9 -13.3 -52.5 615 240 B C E -u 596 0C 24 -2,-0.3 2,-0.3 -20,-0.2 -18,-0.2 -0.986 14.4-168.7-130.0 131.0 18.9 -15.2 -53.8 616 241 B I E -u 597 0C 16 -20,-3.3 -18,-2.0 -2,-0.4 -2,-0.0 -0.896 9.4-158.7-119.3 144.4 16.1 -16.8 -51.8 617 242 B N > - 0 0 7 -2,-0.3 3,-2.4 -20,-0.2 4,-0.3 -0.962 13.3-148.5-124.1 109.4 13.4 -19.2 -52.9 618 243 B P G > S+ 0 0 41 0, 0.0 3,-0.9 0, 0.0 -19,-0.1 0.690 93.1 68.2 -47.8 -26.1 10.4 -19.3 -50.6 619 244 B Q G 3 S+ 0 0 137 1,-0.2 -20,-0.1 3,-0.0 -3,-0.0 0.698 87.6 62.8 -72.5 -22.3 9.8 -22.9 -51.4 620 245 B D G < S+ 0 0 114 -3,-2.4 2,-0.3 2,-0.0 -1,-0.2 0.577 94.4 82.1 -78.5 -8.2 13.0 -24.2 -49.7 621 246 B Y < - 0 0 93 -3,-0.9 4,-0.1 -4,-0.3 7,-0.0 -0.690 58.5-160.3-105.9 152.6 11.7 -23.0 -46.3 622 247 B K S S+ 0 0 223 -2,-0.3 -1,-0.1 2,-0.1 -3,-0.0 0.490 84.0 73.0 -93.7 -13.8 9.4 -24.4 -43.7 623 248 B K S S- 0 0 95 1,-0.1 -2,-0.1 -5,-0.1 5,-0.0 -0.766 98.1 -93.1-105.7 146.6 9.1 -20.9 -42.4 624 249 B P >> - 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