==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-FEB-12 4DL9 . COMPND 2 MOLECULE: ALCOHOL DEHYDROGENASE CLASS III; . SOURCE 2 ORGANISM_SCIENTIFIC: SOLANUM LYCOPERSICUM; . AUTHOR D.KOPECNY,M.TYLICHOVA,P.BRIOZZO . 758 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29615.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 530 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 9.5 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 . 56 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 97 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 137 18.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 3.4 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 0 4 2 4 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 5 2 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 S 0 0 122 0, 0.0 75,-0.0 0, 0.0 76,-0.0 0.000 360.0 360.0 360.0-179.6 -9.5 67.8 -32.5 2 2 A A + 0 0 101 1,-0.1 0, 0.0 3,-0.0 0, 0.0 0.811 360.0 33.4 -77.4 -34.1 -12.8 69.4 -33.6 3 3 A T S > S+ 0 0 43 73,-0.1 3,-2.5 2,-0.1 -1,-0.1 0.601 81.0 128.7-102.1 -18.4 -15.1 67.2 -31.4 4 4 A Q T 3 S+ 0 0 111 1,-0.3 3,-0.1 72,-0.1 73,-0.1 -0.178 86.5 1.4 -46.9 123.8 -12.9 66.5 -28.3 5 5 A G T 3 S+ 0 0 49 1,-0.2 -1,-0.3 27,-0.0 2,-0.3 0.370 113.4 106.8 76.5 0.9 -14.8 67.4 -25.1 6 6 A Q S < S- 0 0 121 -3,-2.5 2,-0.3 24,-0.1 -1,-0.2 -0.729 80.7-100.9-110.5 157.7 -17.9 68.3 -27.0 7 7 A V - 0 0 86 -2,-0.3 2,-0.3 23,-0.1 23,-0.2 -0.617 43.0-142.1 -70.9 126.2 -21.3 66.7 -27.5 8 8 A I E -A 29 0A 8 21,-3.1 21,-2.9 -2,-0.3 2,-0.5 -0.718 6.8-152.1 -90.6 147.2 -21.2 65.1 -31.0 9 9 A T E +A 28 0A 94 -2,-0.3 2,-0.3 19,-0.2 19,-0.2 -0.994 36.6 145.4-115.2 122.5 -24.2 65.2 -33.4 10 10 A C E -A 27 0A 8 17,-2.1 17,-2.6 -2,-0.5 2,-0.3 -0.867 49.9 -82.0-147.5 178.1 -24.1 62.2 -35.7 11 11 A K E +A 26 0A 89 -2,-0.3 140,-2.8 15,-0.2 2,-0.3 -0.694 45.6 169.5 -87.9 146.1 -26.3 59.6 -37.6 12 12 A A E -AB 25 150A 0 13,-1.7 13,-3.1 -2,-0.3 2,-0.6 -0.954 37.5-122.6-154.8 141.2 -27.5 56.5 -35.7 13 13 A A E -A 24 0A 0 136,-2.7 54,-0.5 -2,-0.3 2,-0.4 -0.764 38.2-162.2 -84.9 115.4 -30.0 53.7 -36.5 14 14 A V E -A 23 0A 0 9,-2.6 9,-2.4 -2,-0.6 2,-0.9 -0.871 19.2-150.5-105.5 135.6 -32.5 53.9 -33.6 15 15 A A B +E 65 0B 2 50,-2.9 50,-1.8 -2,-0.4 7,-0.1 -0.893 22.1 172.4-103.2 94.2 -34.9 51.2 -32.6 16 16 A W S S+ 0 0 95 -2,-0.9 -1,-0.2 5,-0.3 6,-0.1 0.877 70.9 9.0 -68.7 -40.6 -37.8 53.3 -31.1 17 17 A E S > S- 0 0 112 4,-0.2 3,-1.0 -3,-0.2 -1,-0.2 -0.971 89.3 -97.4-136.3 153.8 -40.0 50.3 -30.7 18 18 A P T 3 S+ 0 0 52 0, 0.0 37,-0.2 0, 0.0 36,-0.1 -0.404 103.5 13.3 -71.3 151.6 -39.5 46.5 -31.1 19 19 A N T 3 S+ 0 0 105 35,-2.8 36,-0.1 1,-0.2 35,-0.1 0.614 101.9 108.7 59.8 22.5 -40.5 44.8 -34.4 20 20 A K S < S- 0 0 109 -3,-1.0 -1,-0.2 34,-0.3 -3,-0.1 -0.853 83.0 -82.0-118.1 154.1 -40.8 48.2 -36.3 21 21 A P - 0 0 95 0, 0.0 -5,-0.3 0, 0.0 -4,-0.2 -0.247 50.1-107.3 -57.1 146.5 -38.3 49.5 -39.0 22 22 A L - 0 0 7 -7,-0.1 2,-0.5 -6,-0.1 -7,-0.2 -0.472 31.9-141.4 -70.2 147.5 -35.2 51.1 -37.6 23 23 A V E -A 14 0A 64 -9,-2.4 -9,-2.6 -2,-0.1 2,-0.5 -0.973 7.1-133.5-119.2 123.5 -35.1 54.9 -38.1 24 24 A I E +A 13 0A 62 -2,-0.5 2,-0.2 -11,-0.2 -11,-0.2 -0.633 40.9 175.1 -73.5 117.1 -31.9 56.8 -39.0 25 25 A E E -A 12 0A 52 -13,-3.1 -13,-1.7 -2,-0.5 2,-0.5 -0.753 39.5-111.0-121.1 168.5 -31.8 59.7 -36.6 26 26 A D E -A 11 0A 83 -2,-0.2 2,-0.3 -15,-0.2 -15,-0.2 -0.902 46.8-173.2 -97.2 124.0 -29.5 62.6 -35.6 27 27 A V E -A 10 0A 0 -17,-2.6 -17,-2.1 -2,-0.5 2,-0.5 -0.932 26.1-125.6-121.5 153.0 -28.3 61.8 -32.1 28 28 A Q E -AC 9 134A 54 106,-2.9 106,-1.6 -2,-0.3 2,-0.5 -0.828 21.8-162.6 -95.1 129.6 -26.4 63.6 -29.5 29 29 A V E -AC 8 133A 0 -21,-2.9 -21,-3.1 -2,-0.5 104,-0.2 -0.963 14.6-140.7-117.8 109.1 -23.3 61.6 -28.3 30 30 A A - 0 0 29 102,-2.3 -23,-0.1 -2,-0.5 -24,-0.1 -0.274 29.7 -94.7 -66.7 150.6 -22.0 63.0 -24.9 31 31 A P - 0 0 39 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.246 52.5 -86.4 -64.4 158.5 -18.2 63.1 -24.4 32 32 A P - 0 0 18 0, 0.0 48,-0.2 0, 0.0 3,-0.1 -0.437 41.8-152.3 -69.3 139.4 -16.5 60.2 -22.6 33 33 A Q > - 0 0 58 1,-0.2 3,-1.8 46,-0.2 46,-0.2 -0.225 51.6 -37.7 -93.0-173.1 -16.4 60.3 -18.8 34 34 A A T 3 S+ 0 0 31 1,-0.3 93,-0.2 45,-0.2 -1,-0.2 -0.206 134.2 9.2 -49.7 133.0 -13.7 58.6 -16.5 35 35 A G T 3 S+ 0 0 20 45,-2.4 122,-3.0 1,-0.2 123,-0.3 0.649 106.2 124.6 69.4 18.7 -12.7 55.1 -18.0 36 36 A E E < -G 156 0C 1 -3,-1.8 43,-3.1 120,-0.2 2,-0.4 -0.776 45.8-157.2-115.5 156.5 -14.6 55.8 -21.3 37 37 A V E -GH 155 78C 0 118,-2.4 118,-2.9 -2,-0.3 2,-0.6 -1.000 8.5-150.4-131.2 125.0 -13.7 55.7 -25.0 38 38 A R E -GH 154 77C 0 39,-3.0 38,-2.4 -2,-0.4 39,-1.6 -0.894 24.2-162.0 -98.8 120.6 -15.7 57.6 -27.7 39 39 A V E -GH 153 75C 0 114,-3.0 114,-2.3 -2,-0.6 2,-0.7 -0.911 22.4-138.5-112.4 132.8 -15.3 55.6 -30.9 40 40 A K E -GH 152 74C 65 34,-3.3 34,-2.3 -2,-0.4 2,-0.9 -0.785 28.1-145.4 -81.6 112.2 -15.8 56.6 -34.6 41 41 A V E + H 0 73C 0 110,-2.8 32,-0.2 -2,-0.7 3,-0.1 -0.751 25.5 173.7 -86.8 103.8 -17.6 53.5 -35.9 42 42 A L E + 0 0 34 30,-0.9 335,-2.3 -2,-0.9 336,-0.5 0.875 68.3 11.8 -78.8 -38.8 -16.4 53.1 -39.5 43 43 A Y E -IH 376 72C 52 29,-1.7 29,-1.9 333,-0.2 2,-0.3 -0.997 62.2-173.0-143.4 136.7 -18.0 49.7 -40.2 44 44 A T E -IH 375 71C 0 331,-1.7 331,-3.2 -2,-0.3 27,-0.3 -0.985 8.0-157.8-126.6 139.4 -20.6 47.6 -38.3 45 45 A A E -IH 374 70C 0 25,-3.0 25,-0.6 -2,-0.3 24,-0.4 -0.545 15.8-137.5-102.9 170.1 -21.8 44.1 -39.1 46 46 A L + 0 0 3 327,-0.9 327,-0.5 -2,-0.2 2,-0.3 -0.949 21.2 177.1-126.6 152.4 -25.2 42.7 -37.9 47 47 A C >> - 0 0 6 -2,-0.3 3,-1.3 325,-0.1 4,-1.3 -0.930 49.8 -86.9-145.3 172.7 -26.1 39.3 -36.5 48 48 A H H 3> S+ 0 0 121 -2,-0.3 4,-3.0 1,-0.3 5,-0.2 0.759 119.5 68.4 -50.1 -31.2 -29.1 37.4 -35.0 49 49 A T H 3> S+ 0 0 50 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.916 101.8 45.7 -57.8 -40.7 -28.2 38.9 -31.5 50 50 A D H <> S+ 0 0 0 -3,-1.3 4,-2.4 1,-0.2 -2,-0.2 0.938 114.3 49.1 -66.3 -43.6 -29.2 42.4 -32.8 51 51 A A H X S+ 0 0 17 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.853 104.6 58.5 -64.8 -40.0 -32.4 40.9 -34.4 52 52 A Y H X>S+ 0 0 44 -4,-3.0 5,-0.6 2,-0.2 4,-0.5 0.938 112.5 39.2 -56.8 -49.1 -33.4 39.0 -31.2 53 53 A T H ><5S+ 0 0 4 -4,-1.6 3,-1.1 1,-0.2 5,-0.4 0.920 115.6 52.3 -67.0 -43.4 -33.5 42.2 -29.2 54 54 A W H 3<5S+ 0 0 52 -4,-2.4 -35,-2.8 1,-0.2 -34,-0.3 0.820 99.7 65.7 -59.2 -35.6 -35.1 44.2 -32.0 55 55 A S H 3<5S- 0 0 23 -4,-2.4 -1,-0.2 -37,-0.2 -2,-0.2 0.701 106.8-122.0 -61.8 -26.2 -37.9 41.5 -32.3 56 56 A G T <<5S+ 0 0 41 -3,-1.1 -3,-0.1 -4,-0.5 -1,-0.1 0.225 87.7 107.0 96.8 -6.4 -39.3 42.3 -28.9 57 57 A K < + 0 0 155 -5,-0.6 243,-0.2 3,-0.0 -4,-0.1 0.502 52.5 99.0 -81.6 -2.9 -38.8 38.7 -27.6 58 58 A D > - 0 0 32 -6,-0.5 3,-1.5 -5,-0.4 241,-0.0 -0.755 58.2-161.1 -88.0 117.5 -35.8 39.8 -25.4 59 59 A P T 3 S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.723 96.4 54.5 -66.9 -19.8 -36.9 40.3 -21.7 60 60 A E T 3 S+ 0 0 136 2,-0.0 2,-0.1 -3,-0.0 -7,-0.1 0.411 83.8 122.7 -89.5 -4.3 -33.6 42.3 -21.3 61 61 A G < - 0 0 21 -3,-1.5 2,-0.4 -5,-0.1 82,-0.0 -0.349 41.9-169.1 -64.3 134.8 -34.6 44.6 -24.2 62 62 A L - 0 0 59 80,-0.1 79,-0.1 -2,-0.1 -2,-0.0 -0.999 19.5-117.1-132.1 127.2 -34.9 48.3 -23.5 63 63 A F S S+ 0 0 51 -2,-0.4 -47,-0.1 1,-0.1 2,-0.1 -0.926 86.3 33.9-122.9 145.0 -36.4 50.9 -25.9 64 64 A P S S+ 0 0 30 0, 0.0 77,-3.0 0, 0.0 2,-0.3 0.565 89.1 154.8 -76.1 147.1 -35.6 53.3 -27.5 65 65 A C B -Ef 15 141B 3 -50,-1.8 -50,-2.9 75,-0.2 2,-0.6 -0.950 49.6-126.7-138.8 163.1 -32.1 51.9 -28.1 66 66 A V - 0 0 0 75,-2.2 81,-0.2 -2,-0.3 77,-0.2 -0.958 39.0-162.9-106.6 109.1 -29.0 52.0 -30.4 67 67 A L + 0 0 1 -2,-0.6 82,-2.2 -54,-0.5 83,-0.2 0.048 35.4 99.1 -81.1-169.8 -28.4 48.3 -31.4 68 68 A G + 0 0 0 80,-0.2 80,-1.4 79,-0.2 79,-0.5 0.407 25.2 178.3 98.1 134.2 -25.2 46.8 -32.9 69 69 A H + 0 0 0 -24,-0.4 2,-0.6 78,-0.2 26,-0.3 0.319 62.4 79.2-145.5 -1.9 -22.3 44.9 -31.4 70 70 A E E +H 45 0C 0 -25,-0.6 -25,-3.0 24,-0.1 2,-0.3 -0.934 64.4 126.2-116.9 104.5 -19.9 43.9 -34.3 71 71 A A E -H 44 0C 0 -2,-0.6 2,-0.3 22,-0.5 -27,-0.2 -0.971 41.4-155.6-152.2 164.6 -17.8 46.9 -35.3 72 72 A A E +H 43 0C 0 -29,-1.9 -29,-1.7 -2,-0.3 -30,-0.9 -0.981 35.0 129.6-140.0 142.6 -14.3 48.3 -36.0 73 73 A G E -HJ 41 91C 0 18,-2.4 18,-2.4 -2,-0.3 2,-0.4 -0.813 47.6 -73.7-165.0-158.3 -13.4 52.0 -35.9 74 74 A I E -HJ 40 90C 42 -34,-2.3 -34,-3.3 -2,-0.2 2,-0.4 -0.987 39.9-109.7-130.6 135.7 -11.1 54.7 -34.6 75 75 A V E +H 39 0C 4 14,-2.8 13,-3.4 -2,-0.4 -36,-0.2 -0.479 31.2 177.5 -65.3 118.1 -10.7 56.3 -31.2 76 76 A E E - 0 0 21 -38,-2.4 2,-0.3 -2,-0.4 -37,-0.2 0.847 67.0 -14.7 -86.5 -45.9 -12.1 59.9 -31.4 77 77 A S E -H 38 0C 1 -39,-1.6 -39,-3.0 9,-0.1 -1,-0.4 -0.986 56.5-140.6-157.4 158.7 -11.5 60.7 -27.7 78 78 A V E -H 37 0C 36 -2,-0.3 -41,-0.2 -41,-0.2 3,-0.1 -0.881 19.4-129.8-120.6 150.2 -10.7 59.1 -24.3 79 79 A G > - 0 0 9 -43,-3.1 3,-1.5 -2,-0.3 -45,-0.2 -0.297 52.4 -53.8 -88.0-179.4 -12.1 60.0 -20.9 80 80 A E T 3 S+ 0 0 162 -48,-0.2 -45,-2.4 1,-0.2 -44,-0.2 -0.278 122.8 14.8 -58.5 135.5 -10.1 60.6 -17.7 81 81 A G T 3 S+ 0 0 65 1,-0.2 2,-0.6 -47,-0.2 -1,-0.2 0.531 84.0 138.7 78.4 10.3 -7.6 57.9 -16.7 82 82 A V < + 0 0 15 -3,-1.5 -1,-0.2 1,-0.2 -4,-0.1 -0.788 9.7 148.8 -87.3 123.1 -7.7 56.1 -20.1 83 83 A T + 0 0 131 -2,-0.6 -1,-0.2 -3,-0.1 -2,-0.0 0.636 55.1 70.4-125.1 -26.8 -4.2 54.9 -21.0 84 84 A E S S+ 0 0 95 1,-0.0 2,-0.3 76,-0.0 -2,-0.1 0.757 110.1 29.6 -65.2 -26.6 -4.4 51.7 -23.0 85 85 A V - 0 0 8 4,-0.0 -1,-0.0 77,-0.0 3,-0.0 -0.950 66.4-172.6-132.0 156.0 -5.8 53.6 -26.0 86 86 A Q > - 0 0 119 -2,-0.3 3,-2.1 -9,-0.0 -11,-0.3 -0.925 45.4 -65.6-139.4 164.1 -5.5 57.1 -27.3 87 87 A P T 3 S+ 0 0 72 0, 0.0 -11,-0.2 0, 0.0 3,-0.1 -0.200 120.8 29.2 -53.8 136.4 -7.2 59.2 -30.1 88 88 A G T 3 S+ 0 0 45 -13,-3.4 -12,-0.1 1,-0.3 2,-0.0 0.104 85.8 132.4 98.2 -18.2 -6.4 57.8 -33.5 89 89 A D < - 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