==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 31-MAR-10 3MEQ . COMPND 2 MOLECULE: ALCOHOL DEHYDROGENASE, ZINC-CONTAINING; . SOURCE 2 ORGANISM_SCIENTIFIC: BRUCELLA SUIS; . AUTHOR T.L.ARAKAKI,B.L.STAKER,A.GARDBERG,SEATTLE STRUCTURAL GENOMIC . 1351 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49827.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 961 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 140 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 190 14.1 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 . 0 0.0 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 . 4 0.3 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 . 110 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 125 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 295 21.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 40 3.0 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 8 0 1 4 11 3 10 0 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 16 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 . 8 8 4 10 2 4 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 . 6 4 0 0 0 4 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 3 A K 0 0 126 0, 0.0 21,-1.5 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 -44.7 19.6 -37.0 -32.9 2 4 A T E -A 21 0A 73 19,-0.2 2,-0.3 17,-0.0 17,-0.1 -0.697 360.0-154.3-123.0 167.2 20.8 -33.4 -33.2 3 5 A M E -A 20 0A 5 17,-3.3 17,-2.9 -2,-0.2 2,-0.3 -0.938 28.5-101.6-133.8 162.7 19.8 -29.8 -32.4 4 6 A K E +A 19 0A 87 -2,-0.3 120,-1.7 15,-0.2 2,-0.3 -0.662 44.0 172.3 -79.2 139.2 20.5 -26.3 -33.7 5 7 A A E -AB 18 123A 0 13,-1.9 13,-2.5 -2,-0.3 2,-0.7 -0.993 34.5-129.1-148.3 144.7 23.1 -24.3 -31.7 6 8 A A E -A 17 0A 0 116,-2.8 2,-0.5 -2,-0.3 11,-0.2 -0.897 37.2-165.3 -95.2 116.8 24.9 -21.0 -32.0 7 9 A V E -A 16 0A 7 9,-2.8 9,-1.8 -2,-0.7 2,-0.7 -0.897 23.0-142.5-116.1 127.5 28.6 -21.7 -31.5 8 10 A V B +C 59 0B 2 51,-2.5 51,-1.5 -2,-0.5 7,-0.1 -0.824 27.3 168.7 -76.8 114.3 31.5 -19.4 -30.8 9 11 A R + 0 0 125 -2,-0.7 2,-0.3 1,-0.4 -1,-0.2 0.719 66.7 7.2 -98.2 -31.8 34.4 -21.0 -32.7 10 12 A A S > S- 0 0 51 3,-0.2 3,-1.6 4,-0.1 -1,-0.4 -0.982 87.4 -95.8-151.6 142.9 37.0 -18.2 -32.5 11 13 A F T 3 S+ 0 0 73 -2,-0.3 37,-0.3 1,-0.2 36,-0.1 -0.263 106.3 10.4 -61.9 142.7 37.0 -14.9 -30.6 12 14 A G T 3 S+ 0 0 52 35,-1.8 -1,-0.2 1,-0.2 36,-0.1 0.393 106.6 108.1 74.1 -3.3 35.9 -11.8 -32.5 13 15 A K S < S- 0 0 43 -3,-1.6 -1,-0.2 34,-0.3 -3,-0.2 -0.645 81.3 -81.2-103.5 159.5 34.6 -13.9 -35.4 14 16 A P - 0 0 94 0, 0.0 -5,-0.3 0, 0.0 2,-0.2 -0.303 43.2-120.4 -58.3 137.3 31.0 -14.7 -36.4 15 17 A L - 0 0 8 -7,-0.1 2,-0.3 -6,-0.1 -7,-0.2 -0.538 27.3-137.9 -68.6 146.4 29.2 -17.4 -34.5 16 18 A T E -A 7 0A 55 -9,-1.8 -9,-2.8 -2,-0.2 2,-0.8 -0.858 6.5-130.9-105.4 145.3 28.0 -20.3 -36.7 17 19 A I E +A 6 0A 61 -2,-0.3 2,-0.2 -11,-0.2 -11,-0.2 -0.863 42.9 174.6 -95.7 105.4 24.5 -22.0 -36.4 18 20 A D E -A 5 0A 41 -13,-2.5 -13,-1.9 -2,-0.8 2,-0.8 -0.720 40.2-117.0-115.7 157.0 25.4 -25.7 -36.4 19 21 A E E +A 4 0A 103 -2,-0.2 -15,-0.2 -15,-0.2 -2,-0.0 -0.853 48.3 170.0 -90.8 112.2 23.7 -29.1 -36.0 20 22 A V E -A 3 0A 24 -17,-2.9 -17,-3.3 -2,-0.8 2,-0.0 -0.799 39.9 -79.7-118.7 163.7 25.2 -30.5 -32.8 21 23 A P E -A 2 0A 107 0, 0.0 -19,-0.2 0, 0.0 -1,-0.1 -0.315 45.8-114.7 -59.3 142.0 24.4 -33.5 -30.6 22 24 A I - 0 0 33 -21,-1.5 2,-0.1 1,-0.0 104,-0.1 -0.717 34.4-121.0 -78.8 121.9 21.6 -33.1 -28.1 23 25 A P - 0 0 44 0, 0.0 103,-0.1 0, 0.0 -1,-0.0 -0.426 24.8-145.7 -68.0 142.5 23.1 -33.3 -24.6 24 26 A Q - 0 0 136 -2,-0.1 2,-0.4 103,-0.1 103,-0.1 -0.880 15.4-116.2-112.2 137.7 21.6 -36.1 -22.4 25 27 A P - 0 0 24 0, 0.0 49,-0.2 0, 0.0 6,-0.1 -0.613 29.2-167.8 -80.7 127.1 21.1 -35.8 -18.6 26 28 A G > - 0 0 23 -2,-0.4 3,-1.9 1,-0.2 47,-0.2 -0.153 51.3 -38.1 -88.1-168.1 23.1 -38.2 -16.5 27 29 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.2 0, 0.0 48,-0.2 -0.300 133.5 12.8 -56.4 136.6 22.6 -38.8 -12.8 28 30 A G T 3 S+ 0 0 37 46,-2.6 2,-0.3 1,-0.3 103,-0.3 0.605 110.9 106.5 69.4 14.3 21.6 -35.6 -10.8 29 31 A Q < - 0 0 64 -3,-1.9 44,-2.8 45,-0.2 2,-0.3 -0.849 50.4-158.9-120.9 161.1 21.0 -33.7 -14.1 30 32 A I E -DE 72 128C 0 98,-2.4 98,-2.9 -2,-0.3 2,-0.4 -0.901 12.8-135.8-128.5 161.9 18.1 -32.5 -16.1 31 33 A Q E -DE 71 127C 14 40,-2.6 39,-2.4 -2,-0.3 40,-1.3 -0.934 17.2-157.6-116.2 143.2 17.5 -31.5 -19.8 32 34 A V E -DE 69 126C 0 94,-2.7 94,-1.8 -2,-0.4 2,-0.8 -0.984 14.8-140.9-125.9 128.6 15.6 -28.4 -20.8 33 35 A A E -DE 68 125C 18 35,-3.2 35,-1.8 -2,-0.4 2,-0.3 -0.813 33.1-134.3 -84.6 108.8 13.9 -27.7 -24.1 34 36 A I E +D 67 0C 5 90,-2.1 33,-0.3 -2,-0.8 3,-0.1 -0.476 33.1 171.7 -74.8 127.8 14.7 -24.0 -24.6 35 37 A Q E S+ 0 0 44 31,-3.2 305,-1.5 1,-0.4 306,-0.6 0.720 70.7 11.6-103.1 -31.2 11.8 -21.8 -25.6 36 38 A A E -DF 66 339C 0 30,-2.0 30,-2.7 303,-0.2 -1,-0.4 -0.975 61.1-162.4-146.8 158.0 13.5 -18.4 -25.3 37 39 A S E -DF 65 338C 0 301,-2.2 301,-3.0 -2,-0.3 28,-0.3 -0.852 13.5-141.6-151.7 106.9 17.0 -17.2 -24.8 38 40 A G E - F 0 337C 0 26,-2.1 2,-0.7 -2,-0.3 26,-0.4 -0.359 13.7-134.8 -70.6 141.4 18.1 -13.8 -23.6 39 41 A V - 0 0 0 297,-2.5 297,-0.5 23,-0.1 2,-0.3 -0.902 25.6-170.9-100.6 115.5 21.2 -12.1 -25.1 40 42 A C >> - 0 0 6 -2,-0.7 3,-1.7 1,-0.1 4,-0.9 -0.785 34.8-120.8-108.3 150.2 23.3 -10.6 -22.4 41 43 A H H 3> S+ 0 0 44 -2,-0.3 4,-2.5 1,-0.3 5,-0.2 0.774 112.6 68.8 -67.8 -21.3 26.3 -8.4 -23.0 42 44 A T H 3> S+ 0 0 21 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.855 92.8 58.0 -58.6 -34.5 28.3 -11.0 -21.1 43 45 A D H <> S+ 0 0 1 -3,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.900 107.5 47.2 -62.3 -34.8 27.7 -13.3 -24.1 44 46 A L H X S+ 0 0 8 -4,-0.9 4,-2.6 2,-0.2 -2,-0.2 0.947 110.4 49.8 -69.9 -48.8 29.3 -10.6 -26.3 45 47 A H H X>S+ 0 0 10 -4,-2.5 5,-1.9 1,-0.2 4,-0.7 0.797 115.0 47.3 -54.9 -31.2 32.3 -10.2 -23.9 46 48 A A H <5S+ 0 0 0 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.855 111.7 48.0 -81.7 -37.9 32.5 -14.1 -24.1 47 49 A A H <5S+ 0 0 6 -4,-2.4 -35,-1.8 1,-0.2 -34,-0.3 0.815 117.7 43.4 -68.2 -31.8 32.3 -14.2 -27.9 48 50 A E H <5S- 0 0 54 -4,-2.6 -2,-0.2 -37,-0.3 -1,-0.2 0.596 104.0-127.7 -88.1 -15.3 35.0 -11.4 -28.1 49 51 A G T <5 + 0 0 10 -4,-0.7 -3,-0.2 -5,-0.2 -4,-0.1 0.840 54.2 152.7 68.0 34.8 37.3 -12.8 -25.4 50 52 A D < + 0 0 56 -5,-1.9 -4,-0.1 -6,-0.2 4,-0.1 0.743 43.2 78.7 -65.0 -30.2 37.3 -9.5 -23.6 51 53 A W S S- 0 0 6 -6,-0.5 215,-0.0 2,-0.2 0, 0.0 -0.484 82.8-120.3 -92.7 154.9 38.0 -10.8 -20.0 52 54 A P S S+ 0 0 92 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.828 109.3 50.1 -60.0 -33.9 41.3 -12.1 -18.3 53 55 A V S S- 0 0 100 0, 0.0 -2,-0.2 0, 0.0 -4,-0.1 -0.950 87.1-167.3-108.1 118.8 39.8 -15.5 -17.8 54 56 A K - 0 0 98 -2,-0.6 -8,-0.1 1,-0.1 62,-0.1 -0.643 20.9-107.2-110.3 157.1 38.3 -16.7 -21.1 55 57 A P - 0 0 5 0, 0.0 62,-0.1 0, 0.0 -1,-0.1 -0.237 33.8-115.9 -70.1 172.6 36.0 -19.5 -22.3 56 58 A N - 0 0 140 60,-0.6 60,-0.0 2,-0.1 0, 0.0 -0.799 47.8-105.8-116.7 87.9 37.4 -22.4 -24.2 57 59 A P S S+ 0 0 48 0, 0.0 -48,-0.2 0, 0.0 2,-0.1 -0.188 96.4 58.3 -60.0 146.7 36.0 -22.5 -27.8 58 60 A P S S+ 0 0 79 0, 0.0 2,-0.3 0, 0.0 -49,-0.2 0.306 80.5 142.0 -86.4 138.4 34.0 -24.0 -29.2 59 61 A F B -C 8 0B 8 -51,-1.5 -51,-2.5 -2,-0.1 60,-0.1 -0.968 50.2-126.6-138.8 155.6 31.2 -23.2 -26.7 60 62 A I - 0 0 13 -2,-0.3 60,-1.9 -53,-0.2 -53,-0.2 -0.900 31.8-152.2 -95.7 118.7 27.5 -22.3 -26.8 61 63 A P + 0 0 0 0, 0.0 61,-2.0 0, 0.0 54,-0.2 -0.089 41.8 104.5 -71.6-174.8 26.9 -19.0 -25.0 62 64 A G + 0 0 0 53,-0.4 59,-2.5 52,-0.2 60,-0.2 0.662 23.8 176.1 106.7 110.4 23.7 -18.1 -23.2 63 65 A H S S+ 0 0 0 -25,-0.3 26,-0.5 57,-0.2 27,-0.1 -0.094 79.0 69.6-127.7 29.9 22.7 -17.9 -19.5 64 66 A E + 0 0 0 -26,-0.4 -26,-2.1 24,-0.2 2,-0.4 -0.137 66.7 140.6-132.7 33.0 19.2 -16.5 -20.0 65 67 A G E +DG 37 87C 1 22,-0.7 22,-2.3 -28,-0.3 2,-0.4 -0.678 25.8 179.3 -80.3 125.1 17.8 -19.7 -21.5 66 68 A V E +DG 36 86C 0 -30,-2.7 -31,-3.2 -2,-0.4 -30,-2.0 -0.971 19.0 101.5-129.5 146.1 14.3 -20.6 -20.3 67 69 A G E -DG 34 85C 0 18,-2.8 18,-2.3 -2,-0.4 2,-0.4 -0.921 60.6 -40.1 178.0-150.4 12.0 -23.4 -21.2 68 70 A F E -DG 33 84C 76 -35,-1.8 -35,-3.2 -2,-0.3 16,-0.2 -0.892 51.4-109.7-110.0 136.5 10.4 -26.8 -20.2 69 71 A V E +D 32 0C 2 14,-2.4 13,-2.9 -2,-0.4 -37,-0.3 -0.459 36.7 178.5 -59.8 124.1 12.1 -29.7 -18.5 70 72 A S E + 0 0 30 -39,-2.4 2,-0.3 1,-0.4 -38,-0.2 0.586 61.7 11.3-110.0 -21.9 12.3 -32.3 -21.3 71 73 A A E -D 31 0C 27 -40,-1.3 -40,-2.6 9,-0.1 2,-0.5 -0.977 60.2-147.1-157.9 152.1 14.1 -35.1 -19.4 72 74 A V E -D 30 0C 58 -2,-0.3 -42,-0.2 -42,-0.2 3,-0.1 -0.975 17.0-140.8-123.7 128.6 15.1 -36.0 -15.9 73 75 A G > - 0 0 11 -44,-2.8 3,-1.5 -2,-0.5 -47,-0.1 -0.272 42.8 -64.1 -80.9 173.6 18.2 -38.0 -15.0 74 76 A S T 3 S+ 0 0 86 1,-0.2 -46,-2.6 -49,-0.2 -45,-0.2 -0.192 115.5 9.8 -61.0 142.9 18.6 -40.6 -12.3 75 77 A G T 3 S+ 0 0 76 1,-0.2 2,-0.3 -48,-0.2 -1,-0.2 0.323 83.4 145.8 77.1 -6.1 18.1 -39.7 -8.7 76 78 A V < - 0 0 27 -3,-1.5 2,-0.3 -47,-0.2 -1,-0.2 -0.509 35.3-149.0 -73.2 130.4 16.7 -36.1 -9.3 77 79 A K - 0 0 166 -2,-0.3 2,-2.2 -3,-0.1 3,-0.1 -0.735 60.3 -6.5-102.8 145.7 14.1 -35.1 -6.8 78 80 A H S S+ 0 0 140 -2,-0.3 2,-0.1 1,-0.1 -1,-0.1 -0.286 98.6 102.9 74.6 -49.6 11.0 -32.8 -7.2 79 81 A V - 0 0 16 -2,-2.2 2,-0.3 4,-0.0 -1,-0.1 -0.377 50.1-179.9 -67.6 133.3 11.7 -31.6 -10.8 80 82 A K > - 0 0 128 -2,-0.1 3,-2.3 -3,-0.1 -11,-0.3 -0.940 36.9 -78.8-134.1 161.4 9.6 -33.2 -13.4 81 83 A E T 3 S+ 0 0 143 -2,-0.3 -11,-0.2 1,-0.3 3,-0.1 -0.241 116.9 32.1 -52.8 137.0 9.1 -33.0 -17.2 82 84 A G T 3 S+ 0 0 41 -13,-2.9 -1,-0.3 1,-0.3 -12,-0.1 0.212 84.3 138.8 95.8 -17.4 7.1 -30.0 -18.2 83 85 A D < - 0 0 39 -3,-2.3 -14,-2.4 -14,-0.1 2,-0.7 -0.351 57.3-121.4 -61.3 144.5 8.4 -27.8 -15.3 84 86 A R E +G 68 0C 50 52,-0.2 52,-2.2 -16,-0.2 2,-0.3 -0.803 48.7 157.2 -95.1 109.0 9.1 -24.3 -16.3 85 87 A V E -GH 67 135C 0 -18,-2.3 -18,-2.8 -2,-0.7 2,-0.3 -0.915 31.0-151.8-136.4 160.8 12.8 -23.5 -15.6 86 88 A G E -GH 66 134C 0 48,-1.7 48,-2.2 -2,-0.3 -20,-0.2 -0.936 15.0-139.1-130.4 149.1 15.7 -21.2 -16.6 87 89 A I E -G 65 0C 5 -22,-2.3 -22,-0.7 -2,-0.3 34,-0.2 -0.911 29.5-169.5-113.8 103.4 19.4 -21.9 -16.5 88 90 A P - 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