==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-FEB-06 2FZE . COMPND 2 MOLECULE: ALCOHOL DEHYDROGENASE CLASS III CHI CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.C.SANGHANI,H.ROBINSON . 746 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29336.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 537 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 9.7 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 . 66 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 137 18.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 3.2 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 2 0 3 2 4 3 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 . 5 4 7 0 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 A 0 0 133 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 170.0 61.8 37.0 -31.4 2 2 A N - 0 0 67 27,-0.1 2,-0.2 73,-0.1 3,-0.1 -0.661 360.0-166.7 -79.6 114.1 60.5 34.5 -28.9 3 3 A E - 0 0 140 -2,-0.7 2,-0.1 1,-0.1 23,-0.0 -0.535 31.9 -86.6 -97.3 164.8 58.1 32.0 -30.7 4 4 A V - 0 0 80 -2,-0.2 2,-0.4 23,-0.1 23,-0.2 -0.452 47.4-135.7 -66.5 141.1 55.7 29.5 -29.2 5 5 A I E -A 26 0A 26 21,-3.0 21,-3.0 -2,-0.1 2,-0.6 -0.879 9.7-154.4-106.9 134.6 57.5 26.3 -28.5 6 6 A K E +A 25 0A 165 -2,-0.4 2,-0.3 19,-0.2 19,-0.2 -0.929 39.0 136.8-104.7 119.8 56.1 22.9 -29.4 7 7 A C E -A 24 0A 3 17,-2.1 17,-3.7 -2,-0.6 2,-0.3 -0.871 51.6 -80.9-150.0-176.5 57.5 20.2 -27.1 8 8 A K E +A 23 0A 55 -2,-0.3 139,-2.4 15,-0.2 140,-0.4 -0.664 43.2 166.9 -94.7 149.4 56.8 17.2 -25.0 9 9 A A E -AB 22 146A 0 13,-2.0 13,-3.1 -2,-0.3 2,-0.9 -0.981 39.8-115.7-158.8 151.3 55.4 17.3 -21.5 10 10 A A E -A 21 0A 0 135,-2.8 54,-0.5 -2,-0.3 2,-0.4 -0.821 40.5-164.7 -93.7 103.9 53.9 14.9 -18.9 11 11 A V E -A 20 0A 0 9,-3.0 9,-3.3 -2,-0.9 2,-0.9 -0.737 19.1-151.8 -96.8 137.5 50.3 16.0 -18.5 12 12 A A B +E 62 0B 1 50,-2.4 50,-1.9 -2,-0.4 7,-0.1 -0.869 17.0 177.8-104.6 95.4 48.0 15.0 -15.6 13 13 A W - 0 0 59 -2,-0.9 2,-0.3 5,-0.3 -1,-0.2 0.827 68.2 -5.8 -68.0 -32.6 44.6 15.3 -17.3 14 14 A E S > S- 0 0 113 4,-0.1 3,-0.8 -3,-0.1 -1,-0.2 -0.977 83.9 -84.4-157.0 163.9 42.9 14.1 -14.1 15 15 A A T 3 S+ 0 0 36 -2,-0.3 37,-0.2 1,-0.2 36,-0.1 -0.328 103.3 26.0 -73.7 154.6 43.6 12.7 -10.7 16 16 A G T 3 S+ 0 0 60 35,-2.5 -1,-0.2 1,-0.2 36,-0.1 0.567 99.5 102.2 72.8 9.9 44.2 9.1 -9.9 17 17 A K S < S- 0 0 113 -3,-0.8 -1,-0.2 34,-0.4 -3,-0.1 -0.886 78.9 -97.8-123.2 154.5 45.5 8.3 -13.4 18 18 A P - 0 0 90 0, 0.0 -5,-0.3 0, 0.0 -4,-0.1 -0.331 52.6 -89.6 -68.0 153.9 49.1 7.9 -14.7 19 19 A L - 0 0 7 -7,-0.1 2,-0.6 1,-0.1 -7,-0.2 -0.326 38.8-132.5 -63.6 145.6 50.7 10.9 -16.4 20 20 A S E -A 11 0A 39 -9,-3.3 -9,-3.0 -3,-0.1 2,-0.7 -0.896 8.3-135.0-106.7 120.9 50.2 11.3 -20.1 21 21 A I E +A 10 0A 57 -2,-0.6 2,-0.3 -11,-0.2 -11,-0.2 -0.620 42.3 172.3 -72.8 114.1 53.1 12.0 -22.4 22 22 A E E -A 9 0A 31 -13,-3.1 -13,-2.0 -2,-0.7 2,-0.6 -0.818 41.7-118.1-126.7 163.8 51.8 14.8 -24.7 23 23 A E E +A 8 0A 119 -2,-0.3 109,-0.3 -15,-0.2 2,-0.2 -0.877 48.4 175.8 -94.2 126.1 52.9 17.2 -27.4 24 24 A I E -A 7 0A 0 -17,-3.7 -17,-2.1 -2,-0.6 2,-0.4 -0.780 30.5-121.0-130.0 173.1 52.2 20.7 -25.9 25 25 A E E -AC 6 130A 54 105,-2.5 105,-1.5 -2,-0.2 2,-0.5 -0.966 17.9-162.8-117.1 133.2 52.6 24.4 -26.8 26 26 A V E -AC 5 129A 0 -21,-3.0 -21,-3.0 -2,-0.4 103,-0.2 -0.965 17.2-138.7-118.5 114.2 54.6 26.7 -24.5 27 27 A A - 0 0 31 101,-2.4 -24,-0.1 -2,-0.5 3,-0.1 -0.245 30.7 -92.2 -67.6 157.0 53.9 30.4 -25.1 28 28 A P - 0 0 40 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.273 53.9 -84.9 -66.9 159.0 56.8 32.9 -25.1 29 29 A P - 0 0 13 0, 0.0 48,-0.3 0, 0.0 3,-0.1 -0.454 43.0-149.0 -67.8 131.6 57.7 34.6 -21.7 30 30 A K > - 0 0 94 1,-0.2 3,-1.2 -2,-0.2 46,-0.2 -0.179 52.5 -41.1 -85.8-172.4 55.6 37.7 -21.0 31 31 A A T 3 S+ 0 0 49 1,-0.3 -1,-0.2 45,-0.2 47,-0.2 -0.252 132.2 4.6 -54.3 134.2 57.0 40.7 -19.0 32 32 A H T 3 S+ 0 0 97 45,-2.5 121,-2.3 1,-0.2 2,-0.3 0.850 105.2 117.8 56.6 41.4 59.1 39.5 -16.1 33 33 A E E < -G 152 0C 4 -3,-1.2 43,-2.7 119,-0.3 2,-0.4 -0.915 50.2-148.3-131.1 158.6 58.8 35.8 -17.0 34 34 A V E -GH 151 75C 0 117,-2.9 117,-2.7 -2,-0.3 2,-0.6 -0.995 4.4-148.6-133.8 128.9 61.5 33.3 -17.9 35 35 A R E -GH 150 74C 2 39,-2.7 38,-2.9 -2,-0.4 39,-1.6 -0.872 23.2-165.3 -98.4 126.7 61.3 30.3 -20.2 36 36 A I E -GH 149 72C 0 113,-3.1 113,-2.3 -2,-0.6 2,-0.7 -0.908 22.0-137.8-118.4 138.4 63.5 27.5 -19.2 37 37 A K E -GH 148 71C 91 34,-3.6 34,-2.2 -2,-0.4 2,-0.4 -0.835 29.0-140.3 -90.3 115.0 64.7 24.3 -21.0 38 38 A I E + H 0 70C 1 109,-1.8 32,-0.3 -2,-0.7 3,-0.1 -0.659 25.9 175.9 -80.1 128.0 64.4 21.6 -18.3 39 39 A I E + 0 0 54 30,-2.5 334,-1.7 -2,-0.4 2,-0.3 0.760 67.7 4.4 -99.6 -35.1 67.4 19.2 -18.5 40 40 A A E +IH 372 69C 2 29,-1.7 29,-1.8 332,-0.2 -1,-0.4 -0.996 60.7 179.4-152.2 148.4 66.5 17.0 -15.5 41 41 A T E -IH 371 68C 0 330,-1.9 330,-3.9 -2,-0.3 2,-0.2 -0.991 11.1-152.6-149.3 151.3 63.8 16.6 -13.0 42 42 A A E -IH 370 67C 0 25,-2.5 25,-0.6 -2,-0.3 2,-0.4 -0.734 21.2-116.2-118.7 170.3 63.0 14.4 -10.0 43 43 A V - 0 0 5 326,-0.9 326,-0.4 -2,-0.2 2,-0.3 -0.923 27.5-166.5-113.9 136.5 59.7 13.3 -8.5 44 44 A C >> - 0 0 9 -2,-0.4 4,-1.6 324,-0.1 3,-1.2 -0.838 36.5-110.0-121.1 155.4 58.6 14.2 -5.0 45 45 A H H 3> S+ 0 0 119 -2,-0.3 4,-2.6 1,-0.3 5,-0.2 0.841 117.8 61.3 -47.1 -39.4 55.9 12.9 -2.6 46 46 A T H 3> S+ 0 0 41 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.873 101.2 51.2 -59.5 -39.5 54.2 16.3 -3.1 47 47 A D H <> S+ 0 0 0 -3,-1.2 4,-2.2 1,-0.2 -1,-0.2 0.930 112.9 46.0 -63.2 -45.2 53.8 15.7 -6.8 48 48 A A H X S+ 0 0 29 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.855 109.3 55.0 -65.5 -37.4 52.2 12.3 -6.1 49 49 A Y H <>S+ 0 0 51 -4,-2.6 5,-0.9 2,-0.2 6,-0.6 0.884 111.5 43.6 -65.8 -38.5 49.9 13.7 -3.4 50 50 A T H ><5S+ 0 0 5 -4,-1.9 3,-1.1 1,-0.2 5,-0.3 0.902 112.6 53.6 -71.7 -39.6 48.5 16.3 -5.9 51 51 A L H 3<5S+ 0 0 16 -4,-2.2 -35,-2.5 1,-0.3 -34,-0.4 0.824 99.4 62.1 -64.2 -32.0 48.2 13.6 -8.6 52 52 A S T 3<5S- 0 0 64 -4,-1.9 -1,-0.3 -37,-0.2 -2,-0.2 0.688 107.0-126.5 -68.4 -17.7 46.2 11.4 -6.3 53 53 A G T < 5S+ 0 0 39 -3,-1.1 -3,-0.1 -4,-0.4 -2,-0.1 0.559 81.2 115.0 83.1 7.6 43.5 14.0 -6.1 54 54 A A < + 0 0 62 -5,-0.9 242,-0.2 3,-0.0 -4,-0.1 0.570 48.8 99.6 -84.3 -9.4 43.6 14.0 -2.3 55 55 A D > - 0 0 41 -6,-0.6 3,-2.3 -5,-0.3 240,-0.0 -0.706 68.5-148.2 -83.8 113.3 44.8 17.6 -2.4 56 56 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.2 0, 0.0 -6,-0.0 0.877 97.7 37.9 -43.4 -54.8 41.9 20.0 -1.8 57 57 A E T 3 S+ 0 0 156 -3,-0.1 2,-0.6 2,-0.1 -2,-0.0 0.073 88.2 122.4 -91.3 25.4 43.4 22.8 -3.9 58 58 A G < - 0 0 19 -3,-2.3 2,-0.3 -5,-0.1 -43,-0.1 -0.789 41.7-173.5 -90.7 120.8 44.7 20.5 -6.5 59 59 A C - 0 0 75 -2,-0.6 78,-0.1 2,-0.0 -45,-0.1 -0.858 12.6-101.5-118.7 152.6 43.3 21.3 -10.0 60 60 A F S S+ 0 0 55 -2,-0.3 -47,-0.1 -47,-0.1 2,-0.1 -0.875 83.1 39.0-128.8 159.5 43.5 19.6 -13.4 61 61 A P S S+ 0 0 28 0, 0.0 76,-2.3 0, 0.0 2,-0.3 0.577 83.7 149.9 -75.6 153.2 44.7 19.4 -16.1 62 62 A V B -Ef 12 137B 3 -50,-1.9 -50,-2.4 74,-0.2 2,-0.7 -0.997 50.2-128.9-153.5 153.3 48.1 20.3 -14.9 63 63 A I - 0 0 0 74,-2.1 76,-0.2 -2,-0.3 -52,-0.1 -0.912 37.6-164.3-104.7 107.8 51.9 19.8 -15.5 64 64 A L + 0 0 0 -2,-0.7 81,-2.1 -54,-0.5 -54,-0.1 0.028 34.0 104.2 -79.0-171.2 53.4 18.8 -12.2 65 65 A G + 0 0 0 79,-0.2 79,-2.1 78,-0.2 78,-0.4 0.436 22.2 175.9 102.7 121.9 57.1 18.7 -11.1 66 66 A H + 0 0 1 -24,-0.4 2,-0.6 77,-0.2 26,-0.3 0.270 63.8 80.2-138.9 9.3 59.0 21.1 -8.8 67 67 A E E +H 42 0C 0 -25,-0.6 -25,-2.5 24,-0.1 2,-0.3 -0.841 67.6 124.2-119.5 90.1 62.4 19.5 -8.6 68 68 A G E -H 41 0C 0 -2,-0.6 2,-0.3 22,-0.4 -27,-0.2 -0.890 40.5-158.6-143.8 174.3 64.3 20.5 -11.7 69 69 A A E +H 40 0C 0 -29,-1.8 -30,-2.5 -2,-0.3 -29,-1.7 -0.982 30.5 125.6-152.1 144.5 67.4 22.1 -13.2 70 70 A G E -HJ 38 88C 0 18,-2.7 18,-2.7 -2,-0.3 2,-0.4 -0.857 48.6 -71.1-168.7-155.2 67.9 23.6 -16.7 71 71 A I E -HJ 37 87C 61 -34,-2.2 -34,-3.6 -2,-0.3 2,-0.3 -0.977 43.5-107.2-130.5 138.7 69.0 26.4 -18.9 72 72 A V E -H 36 0C 2 14,-2.5 13,-2.8 -2,-0.4 -36,-0.3 -0.489 30.6-176.6 -65.5 124.8 67.3 29.7 -19.7 73 73 A E E - 0 0 58 -38,-2.9 2,-0.3 1,-0.4 -37,-0.2 0.826 65.3 -21.2 -91.3 -39.4 65.9 29.5 -23.2 74 74 A S E -H 35 0C 5 -39,-1.6 -39,-2.7 9,-0.1 -1,-0.4 -0.977 58.3-133.6-165.9 157.6 64.6 33.1 -23.3 75 75 A V E -H 34 0C 37 -2,-0.3 -41,-0.2 -41,-0.2 3,-0.1 -0.878 20.4-125.9-119.9 152.8 63.5 36.0 -21.1 76 76 A G > - 0 0 8 -43,-2.7 3,-1.6 -2,-0.3 -45,-0.2 -0.190 50.4 -53.9 -86.2-177.3 60.5 38.2 -21.2 77 77 A E T 3 S+ 0 0 159 -48,-0.3 -45,-2.5 1,-0.2 -1,-0.2 -0.289 122.7 16.6 -58.7 133.3 60.2 42.0 -21.2 78 78 A G T 3 S+ 0 0 50 1,-0.2 2,-0.6 -47,-0.2 -1,-0.2 0.417 87.4 130.6 85.5 -2.8 62.0 43.8 -18.4 79 79 A V < + 0 0 19 -3,-1.6 -1,-0.2 1,-0.2 -4,-0.1 -0.771 12.9 147.2 -89.2 119.9 64.2 40.8 -17.4 80 80 A T + 0 0 127 -2,-0.6 -1,-0.2 -3,-0.1 -2,-0.0 0.608 59.9 65.8-124.0 -23.5 67.9 41.8 -17.1 81 81 A K S S+ 0 0 188 72,-0.0 2,-0.3 1,-0.0 -2,-0.1 0.670 106.2 46.6 -75.6 -17.1 69.4 39.7 -14.4 82 82 A L + 0 0 16 4,-0.0 2,-0.3 76,-0.0 -7,-0.1 -0.937 65.6 176.3-127.1 149.7 68.9 36.6 -16.5 83 83 A K > - 0 0 123 -2,-0.3 3,-2.2 -9,-0.1 -11,-0.3 -0.962 44.5 -69.6-147.4 162.4 69.6 35.8 -20.1 84 84 A A T 3 S+ 0 0 64 -2,-0.3 -11,-0.2 1,-0.3 3,-0.1 -0.253 119.0 31.9 -52.9 133.9 69.5 32.9 -22.6 85 85 A G T 3 S+ 0 0 49 -13,-2.8 -1,-0.3 1,-0.3 -12,-0.1 0.137 81.7 135.6 103.9 -21.5 72.1 30.3 -21.6 86 86 A D < - 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0 0 39 -3,-1.2 3,-1.5 -4,-0.4 -5,-0.0 -0.841 69.2-151.4 -98.3 120.2 62.6 40.0 7.2 105 105 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 217,-0.1 0.629 89.7 69.4 -61.2 -16.7 65.6 37.8 8.0 106 106 A K T 3 S+ 0 0 100 -5,-0.1 2,-0.3 2,-0.0 -5,-0.0 0.446 102.6 35.8 -85.4 -0.3 63.4 35.4 10.0 107 107 A T < - 0 0 9 -3,-1.5 552,-0.1 -6,-0.4 215,-0.1 -0.958 46.0-161.9-149.1 165.4 61.5 34.0 7.0 108 108 A N + 0 0 10 -2,-0.3 2,-2.0 209,-0.1 215,-0.3 0.225 56.5 120.2-128.5 7.6 61.8 32.9 3.3 109 109 A L - 0 0 13 -8,-0.1 -7,-0.1 213,-0.1 -8,-0.1 -0.405 44.9-168.8 -81.7 69.3 58.1 32.9 2.6 110 110 A C - 0 0 7 -2,-2.0 3,-0.1 -16,-0.6 -2,-0.1 -0.310 7.0-170.0 -55.7 132.0 57.9 35.5 -0.2 111 111 A Q > + 0 0 45 1,-0.1 3,-0.8 2,-0.1 4,-0.4 0.386 51.9 110.1-108.1 1.8 54.2 36.3 -0.8 112 112 A K T 3 S+ 0 0 124 1,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.825 97.8 10.3 -46.0 -45.6 54.5 38.3 -4.1 113 113 A I T 3> S+ 0 0 15 -3,-0.1 4,-2.4 1,-0.1 -1,-0.2 0.182 90.1 118.5-125.4 18.7 52.9 35.7 -6.4 114 114 A R H <> S+ 0 0 131 -3,-0.8 4,-2.3 1,-0.2 5,-0.1 0.860 74.8 50.9 -53.9 -45.4 51.5 33.2 -3.9 115 115 A V H > S+ 0 0 84 -4,-0.4 4,-0.9 2,-0.2 -1,-0.2 0.957 114.3 40.4 -62.4 -53.9 47.8 33.6 -5.0 116 116 A T H >4>S+ 0 0 30 1,-0.2 5,-2.3 2,-0.2 3,-1.0 0.924 115.3 53.7 -62.1 -41.5 48.3 33.2 -8.8 117 117 A Q H ><5S+ 0 0 33 -4,-2.4 3,-1.7 1,-0.3 24,-0.4 0.897 103.7 55.3 -59.6 -41.6 50.8 30.4 -8.2 118 118 A G H 3<5S+ 0 0 45 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.730 107.6 50.9 -64.3 -20.9 48.3 28.5 -6.0 119 119 A K T <<5S- 0 0 134 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.371 120.6-109.3 -96.1 2.6 45.8 28.7 -8.9 120 120 A G T < 5S+ 0 0 6 -3,-1.7 18,-2.6 1,-0.3 2,-0.3 0.832 79.5 119.8 73.6 34.1 48.4 27.3 -11.4 121 121 A L < - 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