==== 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 4DLA . 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) . 29575.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 536 70.7 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 . 100 13.2 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 . 62 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 139 18.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.9 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 7 2 0 0 2 4 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 . 4 6 6 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 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 1 A S 0 0 110 0, 0.0 3,-0.2 0, 0.0 75,-0.0 0.000 360.0 360.0 360.0-179.6 31.8 67.8 6.8 2 2 A A + 0 0 99 1,-0.2 0, 0.0 3,-0.0 0, 0.0 0.560 360.0 31.8 -66.9 -15.7 28.7 69.8 5.5 3 3 A T S > S+ 0 0 46 73,-0.1 3,-2.4 3,-0.1 2,-0.2 0.409 85.6 127.0-122.3 -9.0 26.4 67.4 7.6 4 4 A Q T 3 S+ 0 0 81 1,-0.3 3,-0.1 -3,-0.2 73,-0.1 -0.392 88.9 2.0 -59.3 117.6 28.7 66.6 10.6 5 5 A G T 3 S+ 0 0 49 1,-0.3 -1,-0.3 -2,-0.2 2,-0.3 0.546 116.5 107.0 77.7 11.3 26.8 67.4 13.8 6 6 A Q S < S- 0 0 113 -3,-2.4 -1,-0.3 24,-0.1 2,-0.2 -0.815 79.5-100.0-118.5 159.3 23.7 68.4 11.8 7 7 A V - 0 0 85 -2,-0.3 2,-0.4 -3,-0.1 23,-0.2 -0.562 41.2-142.5 -71.8 135.8 20.3 66.9 11.1 8 8 A I E -A 29 0A 6 21,-2.5 21,-3.1 -2,-0.2 2,-0.5 -0.872 7.3-154.6-102.6 138.9 20.3 65.2 7.6 9 9 A T E +A 28 0A 86 -2,-0.4 2,-0.2 19,-0.2 19,-0.2 -0.974 36.3 145.9-109.1 118.2 17.3 65.4 5.3 10 10 A C E -A 27 0A 6 17,-2.1 17,-2.5 -2,-0.5 2,-0.4 -0.784 50.1 -80.1-139.9-175.9 17.4 62.4 2.9 11 11 A K E +A 26 0A 83 -2,-0.2 140,-2.7 15,-0.2 2,-0.3 -0.773 46.7 169.1 -91.6 138.8 15.4 59.8 1.0 12 12 A A E -AB 25 150A 0 13,-1.6 13,-3.4 -2,-0.4 2,-0.7 -0.981 37.3-125.0-149.9 140.9 14.0 56.8 2.9 13 13 A A E -A 24 0A 1 136,-2.9 54,-0.5 -2,-0.3 2,-0.4 -0.804 37.3-159.6 -86.7 114.6 11.4 54.1 2.0 14 14 A V E -AC 23 66A 0 9,-2.5 9,-2.0 -2,-0.7 2,-0.9 -0.864 18.6-150.1-105.0 134.6 8.9 54.3 4.9 15 15 A A E + C 0 65A 2 50,-3.3 50,-1.9 -2,-0.4 7,-0.1 -0.884 24.4 170.7 -99.9 88.4 6.5 51.5 5.9 16 16 A W + 0 0 95 -2,-0.9 -1,-0.2 5,-0.3 6,-0.1 0.921 68.8 8.5 -64.9 -46.7 3.7 53.7 7.2 17 17 A E S > S- 0 0 114 4,-0.2 3,-0.7 -3,-0.2 -1,-0.2 -0.946 88.6 -98.2-132.5 151.6 1.3 50.7 7.6 18 18 A P T 3 S+ 0 0 50 0, 0.0 37,-0.2 0, 0.0 36,-0.1 -0.398 104.9 15.4 -70.6 151.6 1.7 46.9 7.3 19 19 A N T 3 S+ 0 0 101 35,-2.2 36,-0.1 1,-0.2 35,-0.0 0.844 102.8 108.5 52.6 43.5 0.7 45.3 3.9 20 20 A K S < S- 0 0 107 -3,-0.7 -1,-0.2 34,-0.2 -3,-0.1 -0.957 80.5 -83.6-138.3 151.5 0.6 48.7 2.1 21 21 A P - 0 0 93 0, 0.0 -5,-0.3 0, 0.0 2,-0.2 -0.247 47.1-110.6 -60.5 147.7 3.1 50.0 -0.6 22 22 A L - 0 0 7 -7,-0.1 2,-0.5 -6,-0.1 337,-0.2 -0.574 29.3-145.3 -75.9 139.4 6.3 51.7 0.7 23 23 A V E -A 14 0A 69 -9,-2.0 -9,-2.5 -2,-0.2 2,-0.6 -0.947 11.8-129.0-111.6 129.4 6.5 55.5 0.1 24 24 A I E -A 13 0A 52 -2,-0.5 -11,-0.2 -11,-0.2 2,-0.2 -0.690 43.2-177.2 -74.9 115.1 9.8 57.2 -0.6 25 25 A E E -A 12 0A 46 -13,-3.4 -13,-1.6 -2,-0.6 2,-0.5 -0.646 35.3-112.3-112.9 168.4 9.8 60.0 1.9 26 26 A D E -A 11 0A 90 -2,-0.2 2,-0.4 -15,-0.2 -15,-0.2 -0.909 47.3-171.0 -98.7 121.9 11.9 63.0 2.9 27 27 A V E -A 10 0A 0 -17,-2.5 -17,-2.1 -2,-0.5 2,-0.5 -0.956 27.3-132.1-125.0 147.0 13.3 62.2 6.4 28 28 A Q E -AD 9 134A 60 106,-3.0 106,-1.8 -2,-0.4 2,-0.6 -0.850 21.5-165.1 -94.9 123.6 15.2 64.0 9.2 29 29 A V E -AD 8 133A 0 -21,-3.1 -21,-2.5 -2,-0.5 104,-0.2 -0.960 16.2-138.7-111.0 107.5 18.1 61.8 10.4 30 30 A A - 0 0 30 102,-2.5 -23,-0.1 -2,-0.6 -24,-0.1 -0.156 29.9 -95.2 -61.3 154.0 19.4 63.1 13.8 31 31 A P - 0 0 41 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.257 52.1 -85.3 -68.2 165.7 23.3 63.2 14.3 32 32 A P - 0 0 18 0, 0.0 48,-0.2 0, 0.0 3,-0.1 -0.594 42.9-153.2 -77.9 133.2 24.9 60.2 16.1 33 33 A Q > - 0 0 58 -2,-0.3 3,-1.9 1,-0.2 46,-0.2 -0.090 51.4 -38.5 -84.2-169.3 25.0 60.3 19.9 34 34 A A T 3 S+ 0 0 32 1,-0.3 93,-0.3 45,-0.2 -1,-0.2 -0.244 134.2 9.4 -54.4 137.8 27.6 58.6 22.2 35 35 A G T 3 S+ 0 0 20 45,-2.4 122,-3.0 1,-0.2 123,-0.3 0.578 106.9 121.3 65.9 15.8 28.6 55.1 20.8 36 36 A E E < -G 156 0B 1 -3,-1.9 43,-3.4 120,-0.3 2,-0.4 -0.788 47.4-156.2-114.4 154.6 26.7 55.8 17.5 37 37 A V E -GH 155 78B 0 118,-3.1 118,-2.3 -2,-0.3 2,-0.6 -0.985 9.3-148.5-131.6 120.3 27.7 55.8 13.8 38 38 A R E -GH 154 77B 0 39,-2.2 38,-2.3 -2,-0.4 39,-1.5 -0.801 25.4-164.6 -88.8 118.4 25.8 57.7 11.1 39 39 A V E -GH 153 75B 0 114,-3.0 114,-2.4 -2,-0.6 2,-0.7 -0.882 21.7-138.8-110.4 138.0 26.2 55.7 7.8 40 40 A K E -GH 152 74B 66 34,-3.3 34,-2.4 -2,-0.4 2,-0.7 -0.890 25.4-147.1 -94.1 107.3 25.6 56.7 4.2 41 41 A V E + H 0 73B 1 110,-2.4 32,-0.2 -2,-0.7 3,-0.1 -0.754 25.5 171.7 -81.9 108.0 23.9 53.6 2.7 42 42 A L E + 0 0 30 30,-1.2 335,-2.4 -2,-0.7 336,-0.6 0.854 68.9 19.4 -85.4 -38.6 25.0 53.3 -1.0 43 43 A Y E -IH 376 72B 52 29,-1.8 29,-2.0 333,-0.2 2,-0.3 -1.000 63.0-177.8-138.7 134.7 23.5 49.9 -1.6 44 44 A T E -IH 375 71B 0 331,-1.9 331,-3.7 -2,-0.3 2,-0.3 -0.991 10.3-154.7-133.2 138.0 20.8 47.8 0.1 45 45 A A E -IH 374 70B 0 25,-3.0 25,-0.7 -2,-0.3 24,-0.5 -0.830 21.0-119.4-110.4 148.2 19.5 44.2 -0.6 46 46 A L - 0 0 5 327,-1.0 327,-0.4 -2,-0.3 2,-0.3 -0.740 26.4-169.7 -92.9 136.1 16.1 42.9 0.3 47 47 A C >> - 0 0 13 -2,-0.4 3,-1.3 325,-0.1 4,-1.1 -0.877 37.9-111.4-118.5 152.1 15.8 39.8 2.6 48 48 A H H 3> S+ 0 0 133 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.785 115.4 67.4 -51.4 -29.8 12.6 37.7 3.4 49 49 A T H 3> S+ 0 0 41 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.845 97.0 50.4 -60.9 -38.6 12.8 39.2 7.0 50 50 A D H <> S+ 0 0 0 -3,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.919 112.8 47.2 -64.9 -43.7 12.0 42.8 5.7 51 51 A A H X S+ 0 0 27 -4,-1.1 4,-2.8 2,-0.2 -2,-0.2 0.841 109.5 54.6 -64.6 -38.6 8.9 41.4 3.8 52 52 A Y H X>S+ 0 0 43 -4,-2.2 4,-0.9 2,-0.2 5,-0.7 0.953 113.0 40.4 -61.8 -52.1 7.9 39.4 6.9 53 53 A T H <5S+ 0 0 2 -4,-2.2 3,-0.3 1,-0.2 -2,-0.2 0.867 115.8 53.9 -63.7 -36.3 7.8 42.6 9.1 54 54 A W H <5S+ 0 0 52 -4,-2.3 -35,-2.2 1,-0.2 -2,-0.2 0.909 100.3 60.7 -61.6 -48.0 6.2 44.5 6.1 55 55 A S H <5S- 0 0 29 -4,-2.8 -1,-0.2 -37,-0.2 -2,-0.2 0.771 109.9-116.5 -50.0 -40.7 3.3 41.9 5.8 56 56 A G T <5S+ 0 0 40 -4,-0.9 -3,-0.1 -3,-0.3 -1,-0.1 0.243 89.1 108.3 113.3 -4.6 2.0 42.5 9.3 57 57 A K < + 0 0 162 -5,-0.7 243,-0.3 2,-0.0 -4,-0.2 0.632 53.1 93.3 -76.2 -18.6 2.6 38.9 10.5 58 58 A D > - 0 0 32 -6,-0.7 3,-1.5 -5,-0.2 241,-0.0 -0.697 59.8-161.4 -81.2 113.5 5.6 40.0 12.8 59 59 A P T 3 S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.746 94.3 54.7 -66.1 -23.4 4.3 40.6 16.4 60 60 A E T 3 S+ 0 0 137 2,-0.1 2,-0.2 0, 0.0 -2,-0.1 0.403 83.3 123.8 -86.1 -2.1 7.5 42.7 17.1 61 61 A G < - 0 0 21 -3,-1.5 2,-0.5 -5,-0.1 82,-0.1 -0.434 45.1-164.6 -65.2 125.1 6.7 44.8 14.0 62 62 A L - 0 0 59 -2,-0.2 -2,-0.1 80,-0.2 79,-0.0 -0.978 17.2-121.4-119.3 122.1 6.5 48.5 14.9 63 63 A F S S+ 0 0 49 -2,-0.5 -47,-0.1 1,-0.1 2,-0.1 -0.904 85.9 39.0-114.5 141.8 4.9 51.0 12.4 64 64 A P S S+ 0 0 32 0, 0.0 77,-2.7 0, 0.0 2,-0.3 0.528 88.9 150.8 -77.7 148.0 5.8 53.5 11.0 65 65 A C E -Ce 15 141A 2 -50,-1.9 -50,-3.3 75,-0.2 2,-0.6 -0.972 51.3-127.2-146.2 160.6 9.3 52.2 10.3 66 66 A V E -C 14 0A 0 75,-1.8 81,-0.2 -2,-0.3 -52,-0.2 -0.957 39.0-159.8-105.8 113.3 12.3 52.2 7.9 67 67 A L + 0 0 1 -2,-0.6 82,-2.3 -54,-0.5 83,-0.2 -0.005 37.0 94.2 -83.4-169.8 13.0 48.6 7.0 68 68 A G + 0 0 0 80,-0.2 80,-1.4 79,-0.2 79,-0.6 0.406 23.0 175.2 94.8 136.6 16.2 47.0 5.6 69 69 A H + 0 0 0 -24,-0.5 2,-0.8 78,-0.2 26,-0.2 0.433 62.6 82.0-144.0 -17.9 19.2 45.2 7.2 70 70 A E E +H 45 0B 0 -25,-0.7 -25,-3.0 24,-0.1 2,-0.3 -0.864 67.5 116.7 -99.7 102.2 21.4 43.9 4.3 71 71 A A E -H 44 0B 0 -2,-0.8 2,-0.3 22,-0.4 -27,-0.2 -0.971 44.6-151.1-158.8 169.4 23.5 46.9 3.2 72 72 A A E +H 43 0B 0 -29,-2.0 -29,-1.8 -2,-0.3 -30,-1.2 -0.957 32.5 128.1-145.6 149.5 27.0 48.5 2.7 73 73 A G E -HJ 41 91B 0 18,-2.3 18,-2.4 -2,-0.3 2,-0.3 -0.868 48.2 -69.6-171.3-154.9 28.1 52.1 2.7 74 74 A I E -HJ 40 90B 44 -34,-2.4 -34,-3.3 -2,-0.2 2,-0.5 -0.965 42.8-105.0-129.3 144.0 30.4 54.8 4.1 75 75 A V E +H 39 0B 4 14,-3.0 13,-3.0 -2,-0.3 -36,-0.2 -0.566 31.7 179.8 -70.1 117.4 30.8 56.4 7.6 76 76 A E E - 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