==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 15-MAY-11 3S1L . COMPND 2 MOLECULE: ZINC-CONTAINING ALCOHOL DEHYDROGENASE SUPERFAMILY . SOURCE 2 ORGANISM_SCIENTIFIC: RALSTONIA EUTROPHA; . AUTHOR R.HAYES,E.J.SANCHEZ,B.N.WEBB,T.HOOPER,M.S.NISSEN,Q.LI,L.XUN . 1356 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48131.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 972 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 140 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 191 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 . 115 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 119 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 301 22.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 43 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 8 0 2 2 6 6 16 0 4 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 3 11 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 A 0 0 114 0, 0.0 21,-1.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -6.5 -5.5 -16.3 -24.5 2 4 A M E +A 21 0A 108 19,-0.3 2,-0.3 2,-0.0 17,-0.0 -0.979 360.0 171.5-131.2 142.7 -6.7 -12.8 -23.4 3 5 A M E -A 20 0A 3 17,-2.7 17,-2.9 -2,-0.4 2,-0.3 -0.965 32.5-109.0-145.1 158.4 -7.3 -11.4 -19.9 4 6 A K E +A 19 0A 60 -2,-0.3 120,-1.7 15,-0.3 2,-0.3 -0.682 43.5 160.9 -86.8 144.3 -8.1 -8.1 -18.1 5 7 A A E -AB 18 123A 0 13,-1.9 13,-2.7 -2,-0.3 2,-0.6 -0.969 40.7-118.5-162.5 146.2 -5.3 -6.4 -16.1 6 8 A A E -A 17 0A 0 116,-2.4 2,-0.4 -2,-0.3 11,-0.2 -0.804 38.2-163.7 -89.7 121.4 -4.4 -3.1 -14.6 7 9 A V E -A 16 0A 6 9,-2.8 9,-2.1 -2,-0.6 2,-0.6 -0.862 20.0-140.4-114.4 140.0 -1.1 -1.8 -16.1 8 10 A V B +C 59 0B 2 51,-2.7 51,-1.5 -2,-0.4 3,-0.1 -0.867 32.5 158.8 -91.4 119.7 1.3 0.9 -15.0 9 11 A R + 0 0 115 -2,-0.6 2,-0.3 1,-0.4 -1,-0.2 0.676 65.9 23.2-114.9 -28.5 2.5 2.7 -18.1 10 12 A A S > S- 0 0 49 4,-0.2 3,-2.2 37,-0.1 -1,-0.4 -0.986 85.1-110.0-142.9 131.1 3.8 6.0 -16.7 11 13 A F T 3 S+ 0 0 75 -2,-0.3 37,-0.3 1,-0.3 36,-0.1 -0.368 106.9 16.5 -61.2 127.6 5.0 6.8 -13.2 12 14 A G T 3 S+ 0 0 56 35,-1.9 -1,-0.3 1,-0.4 36,-0.1 0.221 104.3 115.8 93.7 -13.5 2.5 9.0 -11.5 13 15 A A S < S- 0 0 34 -3,-2.2 -1,-0.4 34,-0.4 2,-0.1 -0.417 75.3 -98.3 -84.2 160.0 -0.2 8.2 -14.0 14 16 A P - 0 0 95 0, 0.0 -5,-0.3 0, 0.0 -4,-0.2 -0.443 47.6-102.3 -67.8 154.3 -3.5 6.4 -13.4 15 17 A L - 0 0 6 -7,-0.1 2,-0.4 -2,-0.1 -7,-0.2 -0.530 31.4-133.4 -77.0 147.9 -3.4 2.7 -14.2 16 18 A T E -A 7 0A 56 -9,-2.1 -9,-2.8 -2,-0.2 2,-0.7 -0.877 8.2-135.4-104.1 135.1 -5.0 1.5 -17.5 17 19 A I E +A 6 0A 55 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.800 40.1 168.0 -89.7 114.0 -7.3 -1.5 -17.6 18 20 A D E -A 5 0A 38 -13,-2.7 -13,-1.9 -2,-0.7 2,-0.7 -0.762 43.6-118.5-124.5 163.9 -6.4 -3.5 -20.6 19 21 A E E +A 4 0A 115 -2,-0.3 -15,-0.3 -15,-0.2 -2,-0.0 -0.941 47.3 173.0 -99.8 111.6 -6.9 -6.9 -22.3 20 22 A V E -A 3 0A 24 -17,-2.9 -17,-2.7 -2,-0.7 2,-0.0 -0.737 38.1 -78.0-117.3 165.0 -3.4 -8.5 -22.3 21 23 A P E -A 2 0A 91 0, 0.0 -19,-0.3 0, 0.0 -1,-0.1 -0.333 47.9-112.4 -60.3 139.1 -2.1 -11.9 -23.3 22 24 A V - 0 0 21 -21,-1.5 2,-0.1 1,-0.1 104,-0.1 -0.645 36.7-118.4 -73.9 123.9 -2.5 -14.7 -20.7 23 25 A P - 0 0 40 0, 0.0 103,-0.1 0, 0.0 -1,-0.1 -0.407 24.1-145.6 -66.4 135.9 0.9 -15.6 -19.4 24 26 A Q - 0 0 139 -2,-0.1 2,-0.3 103,-0.1 103,-0.1 -0.885 13.2-125.4-106.9 134.4 2.0 -19.3 -20.0 25 27 A P - 0 0 27 0, 0.0 6,-0.1 0, 0.0 49,-0.1 -0.582 24.0-164.9 -79.7 135.0 4.1 -21.2 -17.5 26 28 A G > - 0 0 23 -2,-0.3 3,-1.9 1,-0.3 47,-0.2 -0.203 50.0 -33.9 -97.3-164.7 7.4 -22.8 -18.6 27 29 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.3 0, 0.0 48,-0.2 -0.260 134.0 10.3 -54.1 135.2 9.5 -25.4 -16.8 28 30 A G T 3 S+ 0 0 30 46,-3.5 103,-0.3 1,-0.2 2,-0.3 0.697 112.6 106.2 66.0 20.0 9.4 -25.0 -13.0 29 31 A Q < - 0 0 64 -3,-1.9 44,-3.0 45,-0.3 2,-0.3 -0.860 50.0-160.5-124.6 161.9 6.6 -22.5 -13.3 30 32 A V E -DE 72 128C 1 98,-2.3 98,-2.5 -2,-0.3 2,-0.4 -0.942 15.7-130.1-134.5 162.3 2.9 -22.5 -12.7 31 33 A Q E -DE 71 127C 16 40,-3.3 39,-2.5 -2,-0.3 40,-1.3 -0.923 21.1-157.9-111.1 138.1 -0.1 -20.3 -13.8 32 34 A V E -DE 69 126C 0 94,-3.2 94,-1.8 -2,-0.4 2,-0.7 -0.965 12.0-143.4-120.3 130.6 -2.5 -19.0 -11.2 33 35 A K E -DE 68 125C 67 35,-3.3 35,-2.0 -2,-0.4 92,-0.3 -0.833 29.8-131.1 -90.0 114.9 -6.0 -17.8 -11.8 34 36 A I E +D 67 0C 1 90,-2.0 33,-0.3 -2,-0.7 3,-0.1 -0.467 35.6 167.3 -73.8 128.9 -6.6 -14.8 -9.5 35 37 A E E S+ 0 0 18 31,-3.1 303,-2.3 1,-0.4 304,-0.4 0.653 74.3 7.7-109.6 -29.1 -9.7 -14.8 -7.3 36 38 A A E -DF 66 337C 0 30,-2.0 30,-2.8 301,-0.2 -1,-0.4 -0.982 61.3-164.4-148.7 157.6 -8.7 -11.9 -5.0 37 39 A S E -DF 65 336C 0 299,-2.1 299,-3.0 -2,-0.3 28,-0.3 -0.883 17.1-136.5-150.5 109.0 -5.8 -9.4 -5.0 38 40 A G E - F 0 335C 0 26,-2.1 26,-0.4 -2,-0.3 2,-0.4 -0.311 14.1-151.0 -69.0 147.7 -4.8 -7.3 -2.1 39 41 A V E + F 0 334C 2 295,-2.7 295,-0.7 23,-0.1 2,-0.3 -0.955 23.5 158.0-117.7 138.6 -3.9 -3.6 -2.5 40 42 A C >> - 0 0 8 -2,-0.4 3,-1.8 293,-0.1 4,-0.8 -0.940 55.6 -87.5-150.2 175.9 -1.5 -1.7 -0.3 41 43 A H H 3> S+ 0 0 98 1,-0.3 4,-1.9 -2,-0.3 5,-0.2 0.728 116.8 69.8 -60.3 -24.2 0.7 1.4 -0.2 42 44 A T H 3> S+ 0 0 30 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.864 96.1 55.0 -60.5 -34.3 3.6 -0.5 -1.7 43 45 A D H <> S+ 0 0 1 -3,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.864 104.0 54.2 -66.0 -37.0 1.6 -0.6 -4.9 44 46 A L H X S+ 0 0 8 -4,-0.8 4,-1.7 2,-0.2 -2,-0.2 0.927 109.8 46.2 -60.4 -46.6 1.3 3.2 -4.8 45 47 A H H X>S+ 0 0 59 -4,-1.9 4,-1.1 1,-0.2 5,-1.1 0.823 111.3 52.4 -68.0 -32.1 5.1 3.5 -4.6 46 48 A A H <5S+ 0 0 1 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.898 112.3 45.8 -66.7 -40.0 5.5 1.0 -7.4 47 49 A A H <5S+ 0 0 0 -4,-2.1 -35,-1.9 1,-0.2 -34,-0.4 0.749 116.7 43.8 -77.2 -25.3 3.1 3.1 -9.6 48 50 A D H <5S- 0 0 42 -4,-1.7 -1,-0.2 -37,-0.3 -2,-0.2 0.610 95.9-143.7 -90.9 -15.2 4.8 6.4 -8.7 49 51 A G T <5 + 0 0 6 -4,-1.1 -3,-0.2 -5,-0.2 -4,-0.1 0.869 51.9 140.7 52.3 42.4 8.3 4.9 -9.1 50 52 A D < + 0 0 84 -5,-1.1 -1,-0.1 3,-0.1 -4,-0.1 0.276 37.2 94.4-100.8 11.0 9.6 7.0 -6.2 51 53 A W S S- 0 0 29 -6,-0.4 0, 0.0 2,-0.1 0, 0.0 -0.657 87.8-107.0 -96.6 159.7 11.9 4.4 -4.6 52 54 A P S S+ 0 0 94 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.923 113.0 42.9 -51.3 -56.4 15.6 4.1 -5.4 53 55 A V S S- 0 0 118 -3,-0.0 -2,-0.1 0, 0.0 -3,-0.1 -0.864 88.8-159.2 -92.9 118.3 15.3 0.9 -7.5 54 56 A K - 0 0 108 -2,-0.7 -8,-0.1 1,-0.1 2,-0.1 -0.530 19.5-102.6 -96.8 160.7 12.2 1.4 -9.7 55 57 A P - 0 0 8 0, 0.0 2,-0.5 0, 0.0 62,-0.2 -0.380 40.8-110.3 -68.2 159.0 10.0 -1.1 -11.6 56 58 A T - 0 0 102 60,-0.6 60,-0.0 2,-0.1 0, 0.0 -0.865 51.9 -86.1 -95.3 126.0 10.6 -1.5 -15.3 57 59 A L S S+ 0 0 64 -2,-0.5 -48,-0.1 -48,-0.1 2,-0.1 -0.545 100.5 31.8 -82.5 142.4 7.8 -0.0 -17.4 58 60 A P S S+ 0 0 76 0, 0.0 2,-0.3 0, 0.0 -49,-0.2 0.648 80.9 143.9 -93.7 164.6 5.3 -1.2 -18.3 59 61 A F B -C 8 0B 6 -51,-1.5 -51,-2.7 -2,-0.1 60,-0.1 -0.996 48.1-118.7-159.0 152.5 4.2 -3.7 -15.6 60 62 A I - 0 0 10 -2,-0.3 60,-3.2 -53,-0.2 55,-0.2 -0.849 35.8-149.0 -93.8 118.7 1.2 -5.2 -13.7 61 63 A P + 0 0 0 0, 0.0 61,-2.4 0, 0.0 54,-0.3 -0.049 43.0 107.5 -74.4-178.0 1.4 -4.5 -10.0 62 64 A G + 0 0 0 53,-0.5 59,-2.3 52,-0.3 3,-0.2 0.622 23.7 177.8 110.8 103.0 0.1 -6.7 -7.2 63 65 A H S S+ 0 0 4 -25,-0.3 26,-0.5 57,-0.2 27,-0.1 0.054 79.0 67.5-115.2 21.2 2.0 -8.8 -4.6 64 66 A E + 0 0 0 -26,-0.4 -26,-2.1 24,-0.2 2,-0.3 -0.105 66.8 143.3-130.7 33.9 -1.1 -10.0 -2.7 65 67 A G E -DG 37 87C 0 22,-0.8 22,-2.8 -28,-0.3 2,-0.3 -0.602 23.0-179.4 -80.9 134.3 -2.7 -12.2 -5.4 66 68 A V E +DG 36 86C 0 -30,-2.8 -31,-3.1 -2,-0.3 -30,-2.0 -0.983 22.1 105.1-131.4 145.9 -4.5 -15.4 -4.4 67 69 A G E -DG 34 85C 0 18,-2.7 18,-2.2 -2,-0.3 2,-0.4 -0.908 60.4 -43.2-179.8-153.1 -6.3 -18.0 -6.5 68 70 A Y E -DG 33 84C 96 -35,-2.0 -35,-3.3 -2,-0.3 2,-0.6 -0.842 48.4-112.4-107.0 142.3 -6.2 -21.4 -8.0 69 71 A V E +D 32 0C 2 14,-2.3 13,-3.1 -2,-0.4 -37,-0.3 -0.639 40.7 174.9 -66.6 116.3 -3.3 -23.1 -9.8 70 72 A S E + 0 0 26 -39,-2.5 2,-0.3 -2,-0.6 -38,-0.2 0.630 60.0 13.6-105.3 -18.3 -4.7 -23.2 -13.3 71 73 A A E -D 31 0C 25 -40,-1.3 -40,-3.3 9,-0.1 2,-0.4 -0.967 64.3-149.0-159.4 144.7 -1.8 -24.6 -15.3 72 74 A V E -D 30 0C 60 -2,-0.3 -42,-0.2 -42,-0.2 3,-0.1 -0.964 7.8-145.9-125.5 127.9 1.5 -26.4 -14.4 73 75 A G > - 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