==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-AUG-02 1MC5 . COMPND 2 MOLECULE: ALCOHOL DEHYDROGENASE CLASS III CHI CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.C.SANGHANI,W.F.BOSRON,T.D.HURLEY . 746 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28915.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 534 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 71 9.5 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 . 59 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 143 19.2 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 4 2 0 2 3 3 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 7 3 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 0 146 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-175.2 60.2 37.3 -30.7 2 2 A N - 0 0 64 27,-0.1 2,-0.1 73,-0.1 3,-0.1 -0.726 360.0-154.9 -89.9 129.3 59.4 34.0 -28.9 3 3 A E - 0 0 156 -2,-0.5 2,-0.0 1,-0.1 -1,-0.0 -0.433 29.9 -82.5 -95.9 171.6 57.0 31.6 -30.5 4 4 A V - 0 0 90 -2,-0.1 2,-0.5 23,-0.1 23,-0.2 -0.368 44.6-130.6 -69.4 153.0 54.8 28.9 -29.0 5 5 A I E -A 26 0A 28 21,-2.9 21,-2.7 -3,-0.1 2,-0.7 -0.933 10.0-156.6-114.8 131.1 56.5 25.6 -28.3 6 6 A K E +A 25 0A 156 -2,-0.5 2,-0.2 19,-0.2 19,-0.2 -0.909 43.0 131.9-101.3 110.6 55.1 22.3 -29.4 7 7 A C E -A 24 0A 10 17,-1.4 17,-2.2 -2,-0.7 2,-0.3 -0.783 52.9 -80.7-146.5-169.7 56.6 19.7 -27.0 8 8 A K E +A 23 0A 59 15,-0.2 139,-2.9 -2,-0.2 140,-0.4 -0.759 41.3 163.3-104.3 149.4 56.1 16.7 -24.7 9 9 A A E -AB 22 146A 0 13,-1.8 13,-2.9 -2,-0.3 2,-1.0 -0.985 42.0-111.7-159.3 155.7 54.9 16.7 -21.1 10 10 A A E -A 21 0A 0 135,-3.3 2,-0.4 -2,-0.3 54,-0.4 -0.804 40.8-166.6 -95.7 99.3 53.5 14.4 -18.4 11 11 A V E -A 20 0A 0 9,-2.7 9,-2.1 -2,-1.0 2,-0.9 -0.752 16.4-157.1 -94.6 131.0 49.9 15.5 -18.0 12 12 A A B +E 62 0B 2 50,-2.2 50,-1.8 -2,-0.4 7,-0.1 -0.827 14.1 178.6-105.0 90.7 47.8 14.4 -15.0 13 13 A W + 0 0 61 -2,-0.9 2,-0.3 48,-0.2 -1,-0.2 0.890 68.1 6.8 -59.4 -45.5 44.2 14.9 -16.3 14 14 A E S > S- 0 0 119 4,-0.2 3,-0.6 46,-0.1 -1,-0.2 -0.979 84.8 -99.6-141.0 151.9 42.5 13.6 -13.2 15 15 A A T 3 S+ 0 0 35 -2,-0.3 37,-0.2 1,-0.2 36,-0.1 -0.078 99.3 36.4 -63.9 169.0 43.6 12.5 -9.7 16 16 A G T 3 S+ 0 0 61 35,-2.9 -1,-0.2 1,-0.2 36,-0.1 0.710 100.4 93.3 59.4 24.3 44.1 8.9 -8.7 17 17 A K S < S- 0 0 125 -3,-0.6 -1,-0.2 34,-0.3 -3,-0.0 -0.984 81.1 -95.3-143.9 152.8 45.5 7.9 -12.1 18 18 A P - 0 0 87 0, 0.0 -4,-0.2 0, 0.0 337,-0.0 -0.313 51.4 -93.5 -67.0 152.5 48.9 7.6 -13.8 19 19 A L - 0 0 8 -7,-0.1 2,-0.5 1,-0.1 -7,-0.2 -0.074 33.6-131.7 -61.8 165.1 50.3 10.5 -15.8 20 20 A S E -A 11 0A 36 -9,-2.1 -9,-2.7 335,-0.0 2,-0.6 -0.972 9.5-132.4-127.7 118.1 49.8 10.8 -19.6 21 21 A I E +A 10 0A 58 -2,-0.5 2,-0.3 -11,-0.2 -11,-0.2 -0.567 42.5 176.5 -68.0 113.4 52.6 11.6 -22.0 22 22 A E E -A 9 0A 32 -13,-2.9 -13,-1.8 -2,-0.6 2,-0.9 -0.888 38.8-124.0-124.1 153.2 51.0 14.3 -24.1 23 23 A E E +A 8 0A 159 -2,-0.3 109,-0.3 -15,-0.2 -15,-0.2 -0.854 49.5 171.9 -94.1 107.1 52.1 16.6 -27.0 24 24 A I E -A 7 0A 0 -17,-2.2 -17,-1.4 -2,-0.9 2,-0.4 -0.332 31.5-118.0-106.4-172.6 51.3 20.0 -25.6 25 25 A E E -AC 6 130A 34 105,-1.9 105,-1.3 -19,-0.2 2,-0.5 -0.980 17.5-158.3-129.0 141.0 51.8 23.6 -26.4 26 26 A V E -AC 5 129A 0 -21,-2.7 -21,-2.9 -2,-0.4 103,-0.2 -0.976 14.6-138.9-124.8 118.3 53.8 26.1 -24.3 27 27 A A - 0 0 30 101,-2.1 -24,-0.1 -2,-0.5 -23,-0.1 -0.260 30.6 -97.8 -69.6 160.3 53.2 29.8 -24.8 28 28 A P - 0 0 38 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.285 51.5 -77.9 -74.4 166.2 56.1 32.2 -24.8 29 29 A P - 0 0 12 0, 0.0 48,-0.3 0, 0.0 -27,-0.1 -0.503 44.5-152.4 -69.4 122.2 57.2 34.2 -21.7 30 30 A K > - 0 0 96 -2,-0.3 3,-1.2 1,-0.2 46,-0.3 -0.245 54.2 -44.4 -81.1 178.7 55.0 37.2 -20.9 31 31 A A T 3 S+ 0 0 46 1,-0.3 -1,-0.2 45,-0.2 47,-0.2 -0.151 133.3 6.2 -46.6 135.0 56.4 40.2 -19.0 32 32 A H T 3 S+ 0 0 94 45,-2.8 121,-2.3 1,-0.2 2,-0.3 0.843 105.1 116.9 55.3 41.6 58.5 39.0 -16.1 33 33 A E E < -G 152 0C 4 -3,-1.2 43,-2.6 119,-0.3 2,-0.4 -0.923 49.7-150.7-131.6 156.4 58.3 35.3 -17.0 34 34 A V E -GH 151 75C 0 117,-2.7 117,-2.6 -2,-0.3 2,-0.6 -0.995 5.6-147.7-134.3 128.9 61.0 32.8 -17.9 35 35 A R E -GH 150 74C 3 39,-2.5 38,-2.5 -2,-0.4 39,-1.5 -0.866 22.6-164.9 -97.7 121.9 60.6 29.8 -20.2 36 36 A I E -GH 149 72C 0 113,-3.1 113,-2.3 -2,-0.6 2,-0.7 -0.863 20.2-138.6-111.4 139.8 62.9 26.9 -19.1 37 37 A K E -GH 148 71C 95 34,-3.6 34,-2.2 -2,-0.4 2,-0.5 -0.857 27.5-140.2 -93.0 115.1 64.0 23.8 -21.0 38 38 A I E + H 0 70C 1 109,-1.6 32,-0.3 -2,-0.7 3,-0.1 -0.673 26.2 175.5 -81.0 122.7 63.9 21.1 -18.3 39 39 A I E + 0 0 61 30,-2.5 334,-1.7 -2,-0.5 2,-0.3 0.783 69.0 6.0 -94.9 -32.9 66.8 18.7 -18.7 40 40 A A E +IH 372 69C 0 29,-1.9 29,-2.0 332,-0.2 -1,-0.3 -0.992 61.8 173.1-149.9 152.9 66.1 16.6 -15.6 41 41 A T E -IH 371 68C 0 330,-1.5 330,-3.5 -2,-0.3 27,-0.2 -0.985 9.9-158.9-157.3 154.7 63.5 16.2 -12.9 42 42 A A E -IH 370 67C 0 25,-2.3 2,-0.6 -2,-0.3 25,-0.5 -0.728 25.4-103.2-129.0 180.0 62.6 13.9 -10.0 43 43 A V - 0 0 5 326,-0.5 326,-0.2 -2,-0.2 2,-0.2 -0.922 26.4-166.9-117.2 115.2 59.5 13.0 -8.0 44 44 A C >> - 0 0 5 -2,-0.6 3,-1.5 1,-0.1 4,-0.9 -0.585 36.1-114.1 -89.4 156.6 59.0 14.3 -4.5 45 45 A H H 3> S+ 0 0 110 1,-0.3 4,-2.8 -2,-0.2 3,-0.3 0.816 115.4 67.9 -61.9 -27.1 56.4 12.7 -2.3 46 46 A T H 3> S+ 0 0 33 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.771 93.9 57.5 -62.2 -26.8 54.5 16.0 -2.5 47 47 A D H <> S+ 0 0 0 -3,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.894 111.5 40.6 -70.6 -39.9 53.9 15.4 -6.2 48 48 A A H X S+ 0 0 24 -4,-0.9 4,-1.7 -3,-0.3 -2,-0.2 0.866 108.6 62.4 -73.3 -38.3 52.2 12.1 -5.3 49 49 A Y H X>S+ 0 0 31 -4,-2.8 5,-0.9 1,-0.2 4,-0.5 0.887 110.4 39.7 -51.9 -44.3 50.4 13.8 -2.4 50 50 A T H ><5S+ 0 0 2 -4,-1.6 3,-1.1 1,-0.2 5,-0.3 0.889 109.5 58.9 -74.4 -42.5 48.7 16.1 -4.9 51 51 A L H 3<5S+ 0 0 17 -4,-1.9 -35,-2.9 1,-0.3 -34,-0.3 0.763 104.5 53.4 -59.7 -24.6 48.1 13.4 -7.4 52 52 A S H 3<5S- 0 0 78 -4,-1.7 -1,-0.3 -37,-0.2 -2,-0.2 0.708 113.7-117.2 -84.2 -21.4 46.1 11.5 -4.8 53 53 A G T <<5S+ 0 0 42 -3,-1.1 5,-0.2 -4,-0.5 -3,-0.2 0.290 81.1 118.3 105.5 -10.7 43.8 14.4 -4.0 54 54 A A < + 0 0 30 -5,-0.9 242,-2.0 3,-0.1 -4,-0.2 0.348 48.5 109.2 -71.7 8.1 44.7 15.0 -0.3 55 55 A D > - 0 0 29 -5,-0.3 3,-1.7 -6,-0.3 240,-0.1 -0.772 67.4-144.5 -91.2 124.3 45.9 18.5 -1.3 56 56 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 239,-0.0 0.778 103.7 34.3 -54.9 -28.1 43.7 21.4 -0.1 57 57 A E T 3 S+ 0 0 84 2,-0.0 2,-0.7 -3,-0.0 -3,-0.1 -0.212 82.7 138.6-123.5 44.2 44.5 23.2 -3.3 58 58 A G < + 0 0 29 -3,-1.7 2,-0.3 -5,-0.2 -43,-0.1 -0.805 24.7 175.2 -95.2 113.1 44.8 20.4 -5.8 59 59 A C - 0 0 62 -2,-0.7 -2,-0.0 2,-0.0 -6,-0.0 -0.855 21.4-102.1-116.4 151.9 43.2 21.2 -9.2 60 60 A F S S+ 0 0 61 -2,-0.3 -47,-0.1 1,-0.1 2,-0.1 -0.930 86.1 36.4-132.2 154.6 43.1 19.2 -12.4 61 61 A P S S+ 0 0 28 0, 0.0 76,-2.1 0, 0.0 2,-0.3 0.560 83.8 151.9 -77.1 153.7 44.2 18.8 -15.1 62 62 A V B -Ef 12 137B 5 -50,-1.8 -50,-2.2 74,-0.2 2,-0.7 -0.988 48.1-129.6-149.1 156.5 47.7 19.8 -14.1 63 63 A I - 0 0 0 74,-2.1 76,-0.2 -2,-0.3 -52,-0.1 -0.918 37.4-163.6-108.1 104.3 51.4 19.3 -14.9 64 64 A L + 0 0 1 -2,-0.7 81,-1.9 -54,-0.4 -54,-0.1 0.112 34.7 106.3 -74.3-169.6 53.2 18.4 -11.6 65 65 A G + 0 0 0 78,-0.2 79,-1.9 79,-0.2 78,-0.2 0.513 21.0 174.7 100.9 117.9 56.9 18.4 -10.7 66 66 A H + 0 0 0 -24,-0.3 2,-0.6 77,-0.2 26,-0.3 0.300 64.3 79.6-134.3 6.4 58.8 20.8 -8.5 67 67 A E E +H 42 0C 0 -25,-0.5 -25,-2.3 24,-0.1 2,-0.3 -0.875 69.5 118.2-116.9 93.8 62.2 19.2 -8.4 68 68 A G E -H 41 0C 0 -2,-0.6 2,-0.3 22,-0.4 -27,-0.2 -0.910 41.3-156.6-150.3 178.1 64.0 20.1 -11.6 69 69 A A E +H 40 0C 0 -29,-2.0 -30,-2.5 -2,-0.3 -29,-1.9 -0.979 28.4 123.5-157.9 146.3 66.9 21.7 -13.5 70 70 A G E -HJ 38 88C 0 18,-2.1 18,-2.3 -2,-0.3 2,-0.4 -0.880 49.9 -63.4-171.7-155.7 67.4 23.0 -17.0 71 71 A I E -HJ 37 87C 47 -34,-2.2 -34,-3.6 -2,-0.3 2,-0.6 -0.935 45.6-106.5-122.2 143.4 68.4 25.9 -19.3 72 72 A V E -H 36 0C 2 14,-2.4 13,-2.8 -2,-0.4 -36,-0.3 -0.544 30.6-174.0 -68.5 114.4 66.7 29.3 -19.9 73 73 A E E - 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