==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-NOV-11 3UKO . COMPND 2 MOLECULE: ALCOHOL DEHYDROGENASE CLASS-3; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR A.WEICHSEL,J.CROTTY,W.R.MONTFORT . 756 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29253.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 535 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 102 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 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 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 103 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 136 18.0 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 6 2 1 5 2 2 2 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 2 8 2 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 . 4 5 6 1 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 1 0 1 0 3 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 2 A A 0 0 132 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.4 68.9 44.1 78.1 2 3 A T > + 0 0 68 73,-0.1 3,-2.3 2,-0.0 74,-0.1 0.602 360.0 123.3 -92.3 -17.9 67.6 43.7 74.6 3 4 A Q T 3 S- 0 0 133 1,-0.3 3,-0.1 72,-0.1 73,-0.1 -0.130 85.1 -1.5 -39.4 119.5 64.3 42.4 76.2 4 5 A G T 3 S+ 0 0 42 1,-0.2 2,-0.3 27,-0.1 -1,-0.3 0.512 115.4 107.5 73.4 9.4 61.3 44.5 75.0 5 6 A Q S < S- 0 0 118 -3,-2.3 -1,-0.2 24,-0.1 2,-0.2 -0.768 78.6 -98.9-122.0 155.5 63.6 46.8 72.9 6 7 A V - 0 0 86 -2,-0.3 2,-0.4 -3,-0.1 23,-0.2 -0.528 37.6-147.3 -71.5 137.3 64.3 47.3 69.3 7 8 A I E -A 28 0A 14 21,-2.3 21,-3.2 -2,-0.2 2,-0.5 -0.916 2.8-152.2-108.1 132.7 67.5 45.4 68.2 8 9 A T E +A 27 0A 87 -2,-0.4 2,-0.3 19,-0.2 19,-0.2 -0.952 35.3 143.6-103.0 126.9 69.7 46.8 65.4 9 10 A C E -A 26 0A 3 17,-2.3 17,-3.0 -2,-0.5 2,-0.3 -0.916 50.0 -78.5-152.7 174.1 71.5 44.1 63.6 10 11 A K E +A 25 0A 89 -2,-0.3 140,-2.7 15,-0.2 141,-0.3 -0.655 46.7 165.1 -84.5 138.3 72.9 42.9 60.2 11 12 A A E -AB 24 149A 0 13,-2.0 13,-2.6 -2,-0.3 2,-0.7 -0.961 39.1-121.0-148.7 149.7 70.5 41.4 57.7 12 13 A A E -A 23 0A 1 136,-2.8 54,-0.5 -2,-0.3 2,-0.4 -0.919 35.5-162.9 -93.5 110.3 70.8 40.5 54.0 13 14 A V E -A 22 0A 0 9,-3.2 9,-2.6 -2,-0.7 2,-0.7 -0.835 13.7-151.7-101.2 132.0 68.0 42.5 52.4 14 15 A A B +E 64 0B 1 50,-2.9 50,-2.2 -2,-0.4 7,-0.1 -0.914 19.8 172.6 -98.5 107.1 66.7 41.7 48.9 15 16 A Y + 0 0 84 -2,-0.7 -1,-0.1 5,-0.3 47,-0.1 0.742 66.8 7.1 -89.0 -24.6 65.4 45.0 47.5 16 17 A E S > S- 0 0 106 3,-0.2 3,-1.4 4,-0.1 -1,-0.3 -0.989 89.8 -86.0-152.1 154.4 64.7 43.8 44.0 17 18 A P T 3 S+ 0 0 50 0, 0.0 37,-0.2 0, 0.0 36,-0.1 -0.372 108.9 5.8 -64.8 147.2 64.8 40.5 42.1 18 19 A N T 3 S+ 0 0 87 35,-2.0 36,-0.1 1,-0.2 35,-0.1 0.480 97.7 118.7 61.0 7.7 68.3 39.6 40.7 19 20 A K S < S- 0 0 103 -3,-1.4 -1,-0.2 34,-0.2 -3,-0.2 -0.821 78.8 -91.5 -93.5 144.8 70.1 42.5 42.3 20 21 A P - 0 0 91 0, 0.0 -5,-0.3 0, 0.0 -4,-0.1 -0.201 47.3-106.1 -47.3 143.1 72.8 41.6 44.8 21 22 A L - 0 0 9 -7,-0.1 2,-0.5 -6,-0.1 -7,-0.2 -0.394 33.2-134.9 -68.1 150.0 71.5 41.4 48.4 22 23 A V E -A 13 0A 59 -9,-2.6 -9,-3.2 -3,-0.1 2,-0.6 -0.943 4.7-136.2-111.5 128.7 72.5 44.3 50.5 23 24 A I E +A 12 0A 57 -2,-0.5 2,-0.3 -11,-0.2 -11,-0.2 -0.795 39.9 170.0 -81.6 118.3 73.9 43.8 54.0 24 25 A E E -A 11 0A 54 -13,-2.6 -13,-2.0 -2,-0.6 2,-0.7 -0.871 44.4-112.1-125.2 155.1 72.1 46.5 56.1 25 26 A D E -A 10 0A 85 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.869 48.4-172.0 -78.4 112.0 71.7 47.4 59.8 26 27 A V E -A 9 0A 0 -17,-3.0 -17,-2.3 -2,-0.7 2,-0.5 -0.789 24.8-121.0-105.4 159.2 68.0 46.7 60.2 27 28 A Q E -AC 8 133A 55 106,-2.7 106,-1.8 -2,-0.3 2,-0.6 -0.869 23.4-161.4 -93.6 124.2 65.7 47.4 63.1 28 29 A V E -AC 7 132A 0 -21,-3.2 -21,-2.3 -2,-0.5 104,-0.2 -0.955 15.4-138.4-112.6 111.5 64.1 44.2 64.5 29 30 A A - 0 0 29 102,-3.1 -24,-0.1 -2,-0.6 -23,-0.1 -0.218 26.4 -97.7 -67.8 156.8 61.1 45.0 66.6 30 31 A P - 0 0 36 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.356 50.1 -86.2 -73.0 164.8 60.4 43.1 69.8 31 32 A P - 0 0 19 0, 0.0 48,-0.2 0, 0.0 2,-0.1 -0.465 38.6-154.5 -73.8 134.3 58.0 40.1 69.8 32 33 A Q > - 0 0 63 1,-0.3 3,-1.9 -2,-0.2 46,-0.3 -0.269 54.0 -39.0 -90.9-173.5 54.3 40.7 70.3 33 34 A A T 3 S+ 0 0 28 1,-0.3 -1,-0.3 45,-0.2 47,-0.2 -0.184 133.3 10.0 -53.6 139.0 51.9 38.1 71.7 34 35 A G T 3 S+ 0 0 21 45,-2.4 122,-2.9 1,-0.2 123,-0.3 0.589 104.9 121.5 68.2 17.4 52.7 34.5 70.5 35 36 A E E < -G 155 0C 1 -3,-1.9 43,-3.0 120,-0.2 2,-0.4 -0.763 47.3-155.4-113.2 157.0 56.0 35.6 68.9 36 37 A V E -GH 154 77C 0 118,-2.7 118,-2.8 -2,-0.3 2,-0.6 -0.997 7.0-150.4-131.9 127.9 59.6 34.6 69.4 37 38 A R E -GH 153 76C 0 39,-3.3 38,-2.5 -2,-0.4 39,-1.8 -0.895 23.4-165.8 -97.8 125.1 62.7 36.7 68.7 38 39 A I E -GH 152 74C 0 114,-2.5 114,-2.0 -2,-0.6 2,-0.7 -0.918 23.5-137.5-120.9 130.5 65.6 34.4 67.8 39 40 A K E -GH 151 73C 79 34,-3.1 34,-2.4 -2,-0.4 2,-0.6 -0.803 29.0-147.3 -81.1 111.4 69.4 35.1 67.5 40 41 A I E + H 0 72C 0 110,-2.0 32,-0.3 -2,-0.7 3,-0.1 -0.823 24.5 174.1 -85.3 118.1 70.3 33.3 64.3 41 42 A L E + 0 0 43 30,-1.5 335,-1.9 -2,-0.6 336,-0.4 0.788 68.0 14.5 -93.2 -36.8 73.8 31.9 64.5 42 43 A Y E -IH 375 71C 57 29,-1.8 29,-2.0 333,-0.2 2,-0.4 -0.998 61.4-176.7-142.1 140.1 73.9 29.9 61.2 43 44 A T E -IH 374 70C 0 331,-2.4 331,-3.2 -2,-0.4 27,-0.2 -0.999 11.1-152.7-134.7 135.3 71.7 29.8 58.2 44 45 A A E -IH 373 69C 0 25,-2.4 25,-0.6 -2,-0.4 24,-0.4 -0.475 13.4-144.9 -92.0 168.8 71.8 27.6 55.1 45 46 A L E +I 372 0C 1 327,-1.2 327,-0.7 -2,-0.2 2,-0.3 -0.972 18.5 173.8-131.9 156.3 70.5 28.6 51.7 46 47 A C >> - 0 0 6 -2,-0.4 4,-1.4 325,-0.1 3,-0.8 -0.874 50.8 -82.2-148.5-179.6 68.9 26.7 49.1 47 48 A H H 3> S+ 0 0 112 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.706 118.7 68.3 -63.4 -24.3 67.2 27.1 45.7 48 49 A T H 3> S+ 0 0 63 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.907 103.8 44.5 -58.3 -43.4 63.9 28.0 47.4 49 50 A D H <> S+ 0 0 0 -3,-0.8 4,-2.4 1,-0.2 -2,-0.2 0.918 114.5 50.4 -60.0 -42.5 65.6 31.3 48.6 50 51 A A H X S+ 0 0 17 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.836 104.5 57.4 -70.3 -34.3 67.1 31.7 45.1 51 52 A Y H <>S+ 0 0 94 -4,-2.3 5,-1.7 2,-0.2 6,-0.5 0.931 110.8 42.4 -64.1 -49.5 63.8 31.2 43.3 52 53 A T H ><5S+ 0 0 5 -4,-1.6 3,-1.6 1,-0.2 5,-0.3 0.911 113.7 52.3 -60.1 -45.0 62.2 34.0 45.2 53 54 A W H 3<5S+ 0 0 43 -4,-2.4 -35,-2.0 1,-0.3 -34,-0.2 0.863 103.6 59.4 -58.7 -38.0 65.3 36.2 44.8 54 55 A S T 3<5S- 0 0 28 -4,-2.4 -1,-0.3 -37,-0.2 -2,-0.2 0.508 117.1-112.1 -73.3 -3.7 65.2 35.6 41.1 55 56 A G T < 5S+ 0 0 42 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.534 89.9 108.6 89.9 6.3 61.7 37.1 40.8 56 57 A K < + 0 0 136 -5,-1.7 -4,-0.2 3,-0.0 -5,-0.1 0.506 44.1 103.1 -96.1 -3.6 59.9 33.9 39.9 57 58 A D > - 0 0 30 -6,-0.5 3,-2.1 -5,-0.3 241,-0.0 -0.690 59.9-151.8 -85.1 119.5 58.0 33.3 43.3 58 59 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.2 0, 0.0 -6,-0.0 0.826 101.1 47.4 -60.9 -25.7 54.3 34.3 42.9 59 60 A E T 3 S+ 0 0 121 -3,-0.1 -2,-0.1 2,-0.0 2,-0.0 0.425 84.4 125.6 -87.2 -3.5 54.3 35.1 46.6 60 61 A G < - 0 0 21 -3,-2.1 2,-0.4 82,-0.0 82,-0.1 -0.357 34.9-179.1 -65.3 132.7 57.6 37.1 46.5 61 62 A L - 0 0 61 80,-0.2 79,-0.1 -2,-0.0 -45,-0.1 -0.993 22.9-106.1-131.5 134.2 57.3 40.6 48.0 62 63 A F S S+ 0 0 56 -2,-0.4 -47,-0.2 -47,-0.1 2,-0.1 -0.822 89.3 34.4-120.0 155.1 60.1 43.1 48.1 63 64 A P S S+ 0 0 32 0, 0.0 77,-2.8 0, 0.0 2,-0.3 0.675 87.9 150.6 -67.7 152.4 62.0 44.3 49.9 64 65 A C B -Ef 14 140B 3 -50,-2.2 -50,-2.9 75,-0.2 2,-0.6 -0.987 49.9-124.8-143.8 159.5 62.4 41.2 52.0 65 66 A I - 0 0 0 75,-2.0 77,-0.2 -2,-0.3 81,-0.2 -0.926 37.6-162.8 -98.3 111.8 64.7 39.2 54.2 66 67 A L + 0 0 1 -2,-0.6 82,-2.2 -54,-0.5 -54,-0.1 0.030 35.9 101.9 -80.8-175.5 65.0 35.7 52.7 67 68 A G + 0 0 0 80,-0.3 80,-1.6 79,-0.2 79,-0.5 0.416 24.0 176.6 104.4 128.8 66.2 32.5 54.4 68 69 A H + 0 0 1 -24,-0.4 2,-0.6 78,-0.2 26,-0.3 0.339 62.5 77.7-140.6 6.7 64.3 29.5 55.9 69 70 A E E +H 44 0C 0 -25,-0.6 -25,-2.4 24,-0.1 2,-0.3 -0.955 67.7 121.2-122.2 104.5 67.0 26.9 57.0 70 71 A A E -H 43 0C 0 -2,-0.6 2,-0.3 22,-0.4 -27,-0.2 -0.986 42.5-153.6-160.3 166.7 68.6 28.1 60.3 71 72 A A E +H 42 0C 0 -29,-2.0 -29,-1.8 -2,-0.3 -30,-1.5 -0.971 30.7 133.6-149.5 138.6 69.3 27.4 63.9 72 73 A G E -HJ 40 90C 0 18,-2.1 18,-2.2 -2,-0.3 2,-0.4 -0.692 48.6 -78.8-153.8-151.4 69.9 29.9 66.7 73 74 A I E -HJ 39 89C 45 -34,-2.4 -34,-3.1 16,-0.2 16,-0.2 -0.998 42.8-108.3-136.3 129.9 69.1 30.7 70.3 74 75 A V E -H 38 0C 3 14,-2.6 13,-3.2 -2,-0.4 -36,-0.3 -0.415 29.1-178.1 -61.8 126.3 66.0 32.4 71.6 75 76 A E E - 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