==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 21-SEP-99 1D1T . COMPND 2 MOLECULE: ALCOHOL DEHYDROGENASE CLASS IV SIGMA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.T.XIE,T.D.HURLEY . 1492 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55152.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1040 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 133 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 200 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 . 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 . 1 0.1 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 . 122 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 182 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 274 18.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 39 2.6 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 11 1 1 4 5 9 6 0 3 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 5 10 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 . 7 11 14 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 3 0 3 0 5 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 G 0 0 118 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-177.1 19.2 3.8 -9.9 2 2 A T > + 0 0 71 72,-0.1 3,-2.3 2,-0.1 73,-0.1 0.576 360.0 120.1 -96.0 -16.2 18.2 5.7 -6.8 3 3 A A T 3 S+ 0 0 64 1,-0.3 3,-0.1 71,-0.1 72,-0.0 -0.287 86.0 6.1 -54.1 125.3 21.5 5.5 -5.0 4 4 A G T 3 S+ 0 0 55 1,-0.3 2,-0.3 25,-0.0 -1,-0.3 0.385 108.9 107.3 82.2 -3.1 23.0 8.9 -4.3 5 5 A K S < S- 0 0 132 -3,-2.3 2,-0.5 24,-0.1 -1,-0.3 -0.765 81.4-104.7-108.0 150.9 19.9 10.7 -5.5 6 6 A V - 0 0 78 -2,-0.3 2,-0.4 -3,-0.1 23,-0.2 -0.650 40.5-137.7 -72.2 124.2 17.4 12.5 -3.4 7 7 A I E -A 28 0A 12 21,-2.3 21,-3.3 -2,-0.5 2,-0.5 -0.731 9.5-152.5 -90.8 130.2 14.4 10.1 -3.3 8 8 A K E +A 27 0A 162 -2,-0.4 2,-0.2 19,-0.2 19,-0.2 -0.900 38.3 130.5 -99.7 126.8 10.9 11.7 -3.6 9 9 A C E -A 26 0A 6 17,-2.6 17,-3.6 -2,-0.5 2,-0.2 -0.829 51.4 -80.9-155.4-167.7 8.2 9.6 -1.9 10 10 A K E +A 25 0A 96 15,-0.3 137,-2.0 -2,-0.2 138,-0.4 -0.679 37.4 168.5-107.2 166.0 5.3 9.8 0.5 11 11 A A E -AB 24 146A 0 13,-1.5 13,-2.4 -2,-0.2 2,-0.7 -0.951 39.7-107.2-167.6 156.4 5.1 9.9 4.3 12 12 A A E -A 23 0A 0 133,-2.7 53,-0.3 -2,-0.3 2,-0.3 -0.885 45.7-166.8 -95.1 116.5 2.6 10.6 7.0 13 13 A V E -A 22 0A 0 9,-2.2 9,-1.2 -2,-0.7 2,-0.5 -0.824 22.4-149.7-112.8 147.0 3.4 14.0 8.5 14 14 A L B -E 63 0B 0 49,-2.0 49,-1.7 -2,-0.3 3,-0.1 -0.964 7.2-171.3-108.5 122.2 2.3 15.9 11.6 15 15 A W S S- 0 0 71 -2,-0.5 2,-0.3 5,-0.3 -1,-0.1 0.664 74.0 -16.7 -86.9 -15.8 2.4 19.6 11.0 16 16 A E S > S- 0 0 111 4,-0.1 3,-0.6 47,-0.1 -1,-0.3 -0.946 87.1 -73.1-173.0 169.8 1.8 20.3 14.7 17 17 A Q T 3 S+ 0 0 73 -2,-0.3 36,-0.2 1,-0.2 37,-0.1 -0.284 109.9 30.8 -73.6 165.8 0.5 18.4 17.8 18 18 A K T 3 S+ 0 0 157 35,-3.1 -1,-0.2 34,-0.3 36,-0.1 0.804 99.3 114.9 54.7 31.9 -3.1 17.5 18.4 19 19 A Q < - 0 0 70 -3,-0.6 -1,-0.2 34,-0.2 -3,-0.1 -0.981 68.6-117.3-133.3 140.0 -3.4 17.2 14.6 20 20 A P - 0 0 97 0, 0.0 -5,-0.3 0, 0.0 -4,-0.1 -0.373 46.5 -84.1 -71.9 157.2 -4.1 14.1 12.5 21 21 A F - 0 0 31 -7,-0.1 2,-0.4 -2,-0.1 -7,-0.2 -0.001 33.9-151.3 -57.7 164.3 -1.5 12.9 10.0 22 22 A S E -A 13 0A 44 -9,-1.2 -9,-2.2 -3,-0.1 2,-0.7 -0.906 13.1-137.4-143.9 106.8 -1.2 14.3 6.5 23 23 A I E +A 12 0A 62 -2,-0.4 -11,-0.2 -11,-0.2 2,-0.2 -0.594 39.7 169.5 -69.1 110.3 0.2 12.1 3.8 24 24 A E E -A 11 0A 33 -13,-2.4 -13,-1.5 -2,-0.7 2,-0.5 -0.617 40.6-104.4-117.4 175.6 2.5 14.3 1.8 25 25 A E E -A 10 0A 107 -15,-0.2 107,-0.3 -2,-0.2 2,-0.3 -0.873 47.5-179.2 -99.8 132.1 5.2 14.0 -0.9 26 26 A I E -A 9 0A 0 -17,-3.6 -17,-2.6 -2,-0.5 2,-0.5 -0.882 27.5-127.7-133.3 164.8 8.7 14.3 0.7 27 27 A E E -AC 8 130A 53 103,-2.5 103,-1.6 -2,-0.3 2,-0.7 -0.966 16.6-158.9-115.3 128.5 12.3 14.3 -0.4 28 28 A V E -AC 7 129A 0 -21,-3.3 -21,-2.3 -2,-0.5 101,-0.2 -0.932 17.7-137.3-112.0 105.5 14.7 12.0 1.4 29 29 A A - 0 0 29 99,-3.1 -24,-0.1 -2,-0.7 -23,-0.1 -0.172 31.5 -93.6 -57.0 151.4 18.3 13.1 1.1 30 30 A P - 0 0 36 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.191 52.5 -83.1 -63.5 165.2 20.9 10.4 0.3 31 31 A P - 0 0 19 0, 0.0 47,-0.4 0, 0.0 3,-0.1 -0.568 44.2-154.2 -75.9 123.0 22.8 8.8 3.2 32 32 A K > - 0 0 98 -2,-0.4 3,-1.4 1,-0.2 46,-0.1 0.214 54.4 -28.6 -74.4-156.9 25.8 10.8 4.4 33 33 A T T 3 S- 0 0 83 1,-0.3 -1,-0.2 44,-0.2 46,-0.2 -0.357 131.7 -5.5 -63.5 135.3 28.8 9.2 6.1 34 34 A K T 3 S+ 0 0 123 44,-2.9 119,-3.0 1,-0.2 120,-0.3 0.697 106.3 120.4 52.9 28.4 28.0 6.0 8.1 35 35 A E E < -G 152 0C 3 -3,-1.4 42,-3.1 117,-0.3 2,-0.3 -0.631 49.2-148.0-110.8 171.6 24.2 6.4 7.4 36 36 A V E -GH 151 76C 0 115,-2.5 115,-2.3 40,-0.2 2,-0.4 -0.990 5.2-145.5-145.4 131.5 21.8 4.0 5.7 37 37 A R E -GH 150 75C 0 38,-3.1 37,-1.8 -2,-0.3 38,-0.7 -0.819 25.6-165.8 -97.2 137.2 18.7 4.7 3.7 38 38 A I E -GH 149 73C 0 111,-2.9 111,-1.7 -2,-0.4 2,-0.5 -0.960 21.6-134.7-130.2 147.1 16.0 2.1 4.1 39 39 A K E -GH 148 72C 99 33,-3.2 33,-2.2 -2,-0.4 2,-0.8 -0.860 28.8-132.8 -96.6 126.0 12.8 1.2 2.3 40 40 A I E + H 0 71C 1 107,-2.7 31,-0.2 -2,-0.5 3,-0.1 -0.730 31.0 170.3 -87.0 112.6 10.0 0.5 4.8 41 41 A L E S- 0 0 39 29,-1.3 332,-2.1 -2,-0.8 2,-0.3 0.908 71.0 -0.3 -83.9 -45.8 8.1 -2.7 4.1 42 42 A A E -IH 372 70C 1 28,-1.5 28,-2.6 330,-0.2 2,-0.3 -0.992 62.3-178.7-149.4 140.5 6.0 -2.9 7.2 43 43 A T E -IH 371 69C 0 328,-2.1 328,-3.0 -2,-0.3 26,-0.3 -0.993 18.2-135.2-142.0 140.5 5.8 -0.7 10.3 44 44 A G E -IH 370 68C 0 24,-2.5 2,-0.9 -2,-0.3 24,-0.6 -0.638 17.8-119.3 -98.6 159.5 3.7 -1.0 13.5 45 45 A I - 0 0 2 324,-1.9 324,-0.4 -2,-0.2 2,-0.3 -0.818 34.0-172.4-101.5 97.4 1.6 1.5 15.4 46 46 A C >> - 0 0 4 -2,-0.9 3,-1.2 1,-0.1 4,-0.9 -0.642 33.8-120.1 -88.8 145.8 3.0 1.9 19.0 47 47 A R H 3> S+ 0 0 92 1,-0.3 4,-1.0 -2,-0.3 3,-0.3 0.814 111.4 67.1 -54.3 -32.0 1.2 3.9 21.7 48 48 A T H >> S+ 0 0 24 1,-0.2 3,-1.1 2,-0.2 4,-1.1 0.915 93.9 57.5 -57.3 -39.8 4.3 6.1 21.9 49 49 A D H X> S+ 0 0 0 -3,-1.2 4,-1.0 1,-0.3 3,-0.5 0.889 105.4 51.6 -57.0 -39.5 3.7 7.4 18.4 50 50 A D H 3X S+ 0 0 4 -4,-0.9 4,-2.7 -3,-0.3 -1,-0.3 0.726 95.8 69.0 -70.4 -22.8 0.3 8.6 19.6 51 51 A H H S+ 0 0 28 -3,-1.1 4,-1.5 -4,-1.0 6,-1.2 0.897 97.7 53.1 -61.8 -38.1 1.9 10.4 22.6 52 52 A V H <<5S+ 0 0 2 -4,-1.1 -34,-0.3 -3,-0.5 3,-0.2 0.927 109.8 46.7 -62.5 -43.5 3.3 12.8 20.1 53 53 A I H <5S+ 0 0 23 -4,-1.0 -35,-3.1 1,-0.2 -2,-0.2 0.954 113.2 48.6 -63.5 -48.6 -0.1 13.5 18.6 54 54 A K H <5S- 0 0 103 -4,-2.7 -1,-0.2 -37,-0.1 -2,-0.2 0.713 112.6-121.4 -63.6 -23.8 -1.7 13.9 22.0 55 55 A G T <5S+ 0 0 23 -4,-1.5 -3,-0.2 -3,-0.2 -4,-0.1 0.363 84.6 111.4 96.9 -1.0 1.1 16.3 23.0 56 56 A T < + 0 0 59 -5,-1.2 240,-1.9 -6,-0.2 2,-0.4 0.528 68.2 65.0 -83.6 -5.6 2.3 14.2 26.0 57 57 A M S S- 0 0 42 -6,-1.2 2,-0.3 238,-0.1 -2,-0.1 -0.925 90.4-113.7-116.6 143.7 5.6 13.3 24.3 58 58 A V + 0 0 77 -2,-0.4 2,-0.3 0, 0.0 -6,-0.1 -0.596 51.1 139.2 -80.7 133.0 8.3 15.9 23.4 59 59 A S - 0 0 27 -2,-0.3 2,-0.2 -7,-0.1 60,-0.1 -0.949 45.2-117.6-168.9 149.5 9.0 16.5 19.7 60 60 A K - 0 0 90 -2,-0.3 77,-0.1 58,-0.3 -44,-0.1 -0.493 49.0 -83.7 -85.6 161.1 9.7 19.3 17.2 61 61 A F S S+ 0 0 57 -2,-0.2 2,-0.1 75,-0.1 -46,-0.1 -0.957 99.5 32.3-126.8 144.5 7.3 20.0 14.3 62 62 A P S S+ 0 0 16 0, 0.0 75,-2.8 0, 0.0 2,-0.3 0.605 83.9 161.6 -76.9 171.8 6.9 19.0 11.6 63 63 A V B -Ef 14 137B 0 -49,-1.7 -49,-2.0 73,-0.2 2,-0.6 -0.998 41.4-138.9-157.9 152.4 7.8 15.4 12.1 64 64 A I - 0 0 0 73,-2.1 75,-0.2 -2,-0.3 -51,-0.1 -0.954 33.5-173.2-113.4 107.1 7.5 11.9 10.8 65 65 A V + 0 0 0 -2,-0.6 80,-1.9 -53,-0.3 79,-1.4 0.203 34.0 103.7 -82.2-153.1 6.9 9.5 13.7 66 66 A G + 0 0 0 77,-0.2 77,-1.1 78,-0.2 78,-0.5 0.274 27.0 174.7 84.6 141.2 6.8 5.7 13.6 67 67 A H + 0 0 1 -23,-0.5 2,-0.7 76,-0.2 26,-0.3 0.369 53.5 87.6-157.8 -7.3 9.7 3.7 15.0 68 68 A E E +H 44 0C 0 -24,-0.6 -24,-2.5 24,-0.1 2,-0.3 -0.886 64.2 115.9-104.5 106.0 8.7 0.1 14.9 69 69 A A E -H 43 0C 0 -2,-0.7 2,-0.3 22,-0.4 -26,-0.2 -0.990 52.9-133.9-164.9 169.4 9.4 -1.4 11.5 70 70 A T E +H 42 0C 0 -28,-2.6 -28,-1.5 -2,-0.3 -29,-1.3 -0.938 37.7 157.1-125.1 147.7 11.2 -3.8 9.1 71 71 A G E -HJ 40 89C 0 18,-2.7 18,-2.7 -2,-0.3 2,-0.4 -0.913 37.3-105.8-158.5-177.5 12.8 -2.7 5.9 72 72 A I E -HJ 39 88C 41 -33,-2.2 -33,-3.2 -2,-0.3 2,-0.5 -0.973 37.4-109.7-125.3 137.4 15.3 -3.3 3.1 73 73 A V E +H 38 0C 2 14,-2.7 13,-3.3 -2,-0.4 -35,-0.2 -0.540 33.5 177.9 -69.5 116.2 18.5 -1.3 2.7 74 74 A E E - 0 0 29 -37,-1.8 2,-0.3 -2,-0.5 -1,-0.2 0.948 67.9 -10.0 -80.5 -62.8 18.2 0.8 -0.4 75 75 A S E -H 37 0C 7 -38,-0.7 -38,-3.1 10,-0.1 2,-0.4 -0.993 60.9-142.2-142.9 144.3 21.6 2.5 -0.2 76 76 A I E -H 36 0C 56 -2,-0.3 -40,-0.2 -40,-0.2 3,-0.1 -0.838 22.7-125.6-104.7 144.0 24.4 2.8 2.3 77 77 A G > - 0 0 8 -42,-3.1 3,-1.4 -2,-0.4 -44,-0.2 -0.104 48.5 -59.7 -77.0-178.9 26.5 5.9 3.0 78 78 A E T 3 S+ 0 0 139 -47,-0.4 -44,-2.9 1,-0.2 -1,-0.2 -0.400 121.7 14.0 -67.1 129.5 30.3 6.3 2.9 79 79 A G T 3 S+ 0 0 32 1,-0.3 -1,-0.2 -46,-0.2 -46,-0.1 0.278 83.1 144.5 92.9 -12.3 32.1 4.0 5.3 80 80 A V < + 0 0 13 -3,-1.4 -1,-0.3 -45,-0.2 -4,-0.1 -0.336 12.2 162.7 -61.4 141.3 29.2 1.7 6.2 81 81 A T + 0 0 125 -47,-0.1 -1,-0.1 3,-0.0 3,-0.1 0.434 59.1 66.6-137.9 -11.8 30.3 -1.9 6.8 82 82 A T S S+ 0 0 56 1,-0.1 2,-0.3 74,-0.0 76,-0.1 0.803 105.9 26.0 -86.1 -33.8 27.5 -3.6 8.7 83 83 A V - 0 0 7 4,-0.0 -1,-0.1 74,-0.0 6,-0.0 -0.910 61.4-161.1-131.1 158.9 24.8 -3.6 6.0 84 84 A K > - 0 0 114 -2,-0.3 3,-2.1 -3,-0.1 -11,-0.3 -0.880 44.4 -73.1-132.3 160.8 24.7 -3.5 2.1 85 85 A P T 3 S+ 0 0 73 0, 0.0 -11,-0.2 0, 0.0 3,-0.1 -0.314 121.4 29.0 -57.3 133.8 21.9 -2.6 -0.3 86 86 A G T 3 S+ 0 0 44 -13,-3.3 2,-0.1 1,-0.4 -12,-0.1 0.108 88.5 132.1 101.9 -22.2 19.3 -5.4 -0.4 87 87 A D < - 0 0 4 -3,-2.1 -14,-2.7 -14,-0.1 2,-0.4 -0.403 59.1-124.3 -65.9 134.7 19.9 -6.5 3.2 88 88 A K E +J 72 0C 24 71,-0.3 71,-2.3 -16,-0.2 2,-0.3 -0.700 44.1 163.8 -83.0 131.9 16.9 -6.9 5.4 89 89 A V E -JK 71 158C 0 -18,-2.7 -18,-2.7 -2,-0.4 69,-0.2 -0.850 38.5-134.5-142.0 174.6 17.0 -4.8 8.5 90 90 A I E - K 0 157C 0 67,-2.1 67,-2.2 -2,-0.3 2,-0.2 -0.998 31.0-127.3-133.3 120.1 15.1 -3.3 11.4 91 91 A P E - K 0 156C 0 0, 0.0 2,-0.7 0, 0.0 -22,-0.4 -0.551 23.5-133.3 -69.5 141.8 15.8 0.4 12.3 92 92 A L - 0 0 2 63,-2.2 -24,-0.1 -2,-0.2 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17.4 0.4 39.8 687 314 B W E +Rw 313 662D 0 -374,-3.4 -374,-3.6 -2,-0.5 2,-0.3 -0.989 12.8 166.1-121.9 125.8 16.1 1.8 43.1 688 315 B K E -Rw 312 663D 34 -26,-2.4 -24,-2.3 -2,-0.5 -376,-0.2 -0.994 28.2-131.2-145.5 143.8 15.8 -0.5 46.1 689 316 B G - 0 0 2 -378,-1.1 2,-0.3 -382,-0.8 -381,-0.2 -0.214 19.9-147.5 -78.7-177.8 15.2 -0.2 49.9 690 317 B C - 0 0 4 -382,-0.8 2,-0.5 -26,-0.5 3,-0.2 -0.810 13.1-173.9-161.0 116.0 17.3 -2.0 52.5 691 318 B V S > S- 0 0 12 -2,-0.3 3,-2.0 1,-0.2 4,-0.2 -0.946 81.4 -17.6-113.3 123.3 16.4 -3.4 56.0 692 319 B F G > S- 0 0 4 -2,-0.5 3,-1.8 1,-0.3 -1,-0.2 0.851 120.2 -65.5 52.2 38.6 19.2 -4.8 58.1 693 320 B G G 3 S- 0 0 0 1,-0.3 -134,-0.3 -3,-0.2 -1,-0.3 0.731 85.6 -72.4 58.7 23.9 21.4 -5.1 55.1 694 321 B G G < S+ 0 0 22 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.568 92.5 148.4 68.7 13.8 19.1 -7.7 53.6 695 322 B L < - 0 0 10 -3,-1.8 2,-0.8 -4,-0.2 -1,-0.2 -0.410 54.8-123.7 -82.0 151.5 20.3 -10.3 56.0 696 323 B K >> - 0 0 32 1,-0.2 4,-3.4 -2,-0.1 3,-0.6 -0.885 32.4-141.8 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