==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-OCT-12 4HFN . COMPND 2 MOLECULE: ALLYL ALCOHOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NICOTIANA TABACUM; . AUTHOR H.S.TOOGOOD,N.S.SCRUTTON . 655 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26881.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 474 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 95 14.5 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 . 0 0.0 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 . 55 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 17.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 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 2 0 0 2 3 2 2 3 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 2 3 2 0 0 4 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 0 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 2 A A 0 0 104 0, 0.0 2,-0.2 0, 0.0 33,-0.1 0.000 360.0 360.0 360.0 155.7 -18.0 37.0 -22.2 2 3 A E E -A 33 0A 116 31,-0.6 31,-3.1 30,-0.1 2,-0.5 -0.500 360.0-156.3 -72.0 132.9 -17.3 38.9 -19.0 3 4 A E E +A 32 0A 143 29,-0.2 2,-0.3 -2,-0.2 29,-0.2 -0.969 21.7 159.2-117.8 124.9 -13.8 38.3 -17.4 4 5 A V E -A 31 0A 32 27,-2.0 27,-2.7 -2,-0.5 2,-0.1 -0.920 44.6 -98.0-137.4 151.9 -13.2 38.8 -13.7 5 6 A S E -A 30 0A 70 -2,-0.3 2,-0.5 25,-0.2 25,-0.2 -0.453 37.4-152.8 -73.9 151.0 -10.7 37.7 -11.1 6 7 A N E -A 29 0A 2 23,-3.3 23,-2.4 -2,-0.1 2,-0.2 -0.943 2.4-151.4-134.6 106.0 -12.0 34.7 -9.0 7 8 A K E -A 28 0A 54 -2,-0.5 93,-1.7 21,-0.2 2,-0.3 -0.587 22.0-174.1 -75.4 141.1 -10.8 34.1 -5.5 8 9 A Q E -AB 27 99A 19 19,-2.4 19,-2.3 -2,-0.2 2,-0.8 -0.991 28.5-132.3-139.4 143.2 -10.9 30.4 -4.5 9 10 A V E -A 26 0A 0 89,-3.2 61,-2.3 -2,-0.3 2,-0.3 -0.883 33.6-162.9 -95.2 115.8 -10.3 28.4 -1.3 10 11 A I E -AC 25 69A 1 15,-3.7 15,-2.1 -2,-0.8 2,-0.6 -0.724 20.7-125.8-100.5 138.6 -8.0 25.5 -2.4 11 12 A L E -A 24 0A 0 57,-1.8 56,-2.5 54,-0.4 57,-0.4 -0.765 21.2-162.4 -79.7 123.2 -7.4 22.4 -0.4 12 13 A K - 0 0 94 11,-3.1 2,-0.3 -2,-0.6 12,-0.2 0.900 60.7 -25.7 -77.1 -45.3 -3.6 22.2 -0.0 13 14 A N S S- 0 0 100 10,-0.9 -1,-0.2 53,-0.1 52,-0.0 -0.969 77.1 -71.5-156.7 171.6 -3.4 18.5 0.9 14 15 A Y - 0 0 113 -2,-0.3 2,-0.4 -3,-0.1 46,-0.2 -0.321 55.0-124.9 -62.4 153.9 -5.2 15.5 2.5 15 16 A V - 0 0 7 44,-3.1 2,-0.4 41,-0.2 -1,-0.1 -0.858 21.0-167.4-113.8 138.6 -5.6 15.8 6.2 16 17 A T - 0 0 110 -2,-0.4 236,-0.1 2,-0.2 234,-0.1 -0.947 68.4 -16.6-115.7 144.3 -4.7 13.5 9.1 17 18 A G S S+ 0 0 18 -2,-0.4 234,-0.1 232,-0.1 -2,-0.1 -0.336 125.7 4.3 61.1-140.1 -6.1 14.1 12.6 18 19 A Y S S- 0 0 133 1,-0.1 -2,-0.2 -3,-0.0 2,-0.1 -0.547 78.0-122.3 -79.7 137.6 -7.5 17.6 13.0 19 20 A P - 0 0 6 0, 0.0 2,-0.3 0, 0.0 300,-0.1 -0.490 29.6-163.6 -68.7 146.9 -7.7 19.9 10.0 20 21 A K > - 0 0 114 -2,-0.1 3,-1.7 1,-0.1 4,-0.2 -0.864 33.3-104.3-123.2 170.1 -5.9 23.3 10.4 21 22 A E G > S+ 0 0 89 -2,-0.3 3,-1.7 1,-0.3 292,-0.1 0.830 116.6 62.1 -57.3 -36.8 -6.1 26.6 8.5 22 23 A S G 3 S+ 0 0 65 1,-0.3 -1,-0.3 290,-0.1 0, 0.0 0.533 84.5 76.3 -75.7 -4.2 -2.8 26.0 6.8 23 24 A D G < S+ 0 0 25 -3,-1.7 -11,-3.1 -11,-0.1 -10,-0.9 0.550 101.4 48.7 -76.2 -7.8 -4.3 22.8 5.1 24 25 A M E < -A 11 0A 7 -3,-1.7 2,-0.3 -13,-0.3 -13,-0.2 -0.865 68.4-171.4-125.7 160.3 -6.1 25.4 2.8 25 26 A E E -A 10 0A 86 -15,-2.1 -15,-3.7 -2,-0.3 2,-0.5 -0.977 25.2-115.4-147.9 167.6 -5.1 28.4 0.8 26 27 A I E -A 9 0A 62 -2,-0.3 2,-0.3 -17,-0.2 -17,-0.2 -0.872 32.5-177.9-105.9 123.9 -6.5 31.3 -1.2 27 28 A K E -A 8 0A 94 -19,-2.3 -19,-2.4 -2,-0.5 2,-0.5 -0.904 15.9-145.5-120.8 148.1 -5.7 31.4 -4.9 28 29 A N E +A 7 0A 96 -2,-0.3 2,-0.3 -21,-0.2 -21,-0.2 -0.976 25.8 165.2-116.3 122.6 -6.8 34.1 -7.5 29 30 A V E -A 6 0A 43 -23,-2.4 -23,-3.3 -2,-0.5 2,-0.5 -0.822 38.1-107.7-127.9 170.4 -7.5 33.0 -11.0 30 31 A T E -A 5 0A 104 -2,-0.3 2,-0.4 -25,-0.2 -25,-0.2 -0.841 34.7-166.0 -96.1 128.6 -9.3 34.7 -14.0 31 32 A I E -A 4 0A 22 -27,-2.7 -27,-2.0 -2,-0.5 2,-0.6 -0.972 15.9-144.7-117.8 140.4 -12.7 33.3 -14.9 32 33 A K E -A 3 0A 46 -2,-0.4 2,-1.9 -29,-0.2 -29,-0.2 -0.888 20.2-137.6 -94.1 120.5 -14.8 33.8 -18.1 33 34 A L E +A 2 0A 7 -31,-3.1 -31,-0.6 -2,-0.6 2,-0.3 -0.556 59.0 117.0 -85.2 79.0 -18.4 34.0 -17.1 34 35 A K - 0 0 43 -2,-1.9 -2,-0.1 -33,-0.1 8,-0.1 -0.996 69.2-109.0-146.7 149.3 -19.9 31.9 -20.0 35 36 A V - 0 0 35 -2,-0.3 3,-0.1 1,-0.1 46,-0.1 -0.630 46.6-111.3 -74.1 119.4 -21.8 28.6 -20.4 36 37 A P > - 0 0 59 0, 0.0 3,-2.0 0, 0.0 5,-0.3 -0.283 49.2 -85.4 -52.7 139.2 -19.4 26.1 -22.0 37 38 A E T 3 S+ 0 0 193 1,-0.3 3,-0.1 3,-0.1 45,-0.0 -0.164 110.1 4.5 -53.4 135.4 -20.6 25.4 -25.6 38 39 A G T 3 S+ 0 0 86 1,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.339 105.2 119.9 70.1 -7.4 -23.3 22.7 -25.9 39 40 A S < - 0 0 31 -3,-2.0 -1,-0.2 1,-0.1 -4,-0.0 -0.406 65.5-140.0 -84.0 164.7 -23.6 22.3 -22.0 40 41 A N + 0 0 94 -2,-0.1 43,-0.2 -3,-0.1 -1,-0.1 0.036 56.6 145.4-103.9 22.4 -26.5 22.8 -19.8 41 42 A D - 0 0 18 -5,-0.3 41,-3.1 41,-0.2 42,-0.4 -0.134 41.9-141.6 -61.1 157.0 -24.2 24.5 -17.2 42 43 A V E -DE 81 104B 4 62,-2.1 62,-3.1 39,-0.2 2,-0.5 -0.987 6.1-147.3-125.4 128.0 -25.2 27.3 -15.0 43 44 A V E -DE 80 103B 0 37,-2.9 36,-3.4 -2,-0.4 37,-1.2 -0.823 27.3-178.3 -98.2 128.5 -22.8 30.2 -14.2 44 45 A V E -DE 78 102B 0 58,-2.6 58,-2.0 -2,-0.5 2,-0.6 -0.940 33.9-137.0-133.0 153.2 -23.3 31.7 -10.7 45 46 A K E -DE 77 101B 57 32,-2.8 32,-3.0 -2,-0.3 2,-0.3 -0.946 36.5-132.0-100.6 119.5 -22.0 34.3 -8.3 46 47 A N E +D 76 0B 0 54,-2.1 30,-0.3 -2,-0.6 3,-0.1 -0.570 31.5 170.5 -77.2 136.2 -21.7 32.7 -4.9 47 48 A L E + 0 0 23 28,-3.2 284,-2.6 1,-0.4 285,-1.0 0.817 64.0 16.6-113.0 -43.0 -23.2 34.6 -1.9 48 49 A Y E -DF 75 330B 39 27,-1.6 27,-2.0 282,-0.2 2,-0.4 -0.987 59.4-159.8-136.6 138.3 -23.1 32.2 1.1 49 50 A L E -DF 74 329B 0 280,-2.8 280,-2.7 -2,-0.3 2,-0.4 -0.979 15.8-135.8-117.4 139.7 -21.2 29.0 1.8 50 51 A S E - F 0 328B 0 23,-3.1 2,-0.6 -2,-0.4 278,-0.2 -0.734 6.0-147.1 -87.2 137.4 -22.2 26.4 4.4 51 52 A C + 0 0 3 276,-2.4 276,-0.4 -2,-0.4 21,-0.0 -0.923 28.1 177.4 -95.3 117.9 -19.5 24.9 6.7 52 53 A D > - 0 0 5 -2,-0.6 3,-1.7 1,-0.1 4,-0.2 -0.952 36.3-130.6-126.9 139.5 -20.6 21.3 7.4 53 54 A P G > S+ 0 0 46 0, 0.0 3,-2.3 0, 0.0 4,-0.4 0.801 102.6 68.8 -56.5 -36.6 -18.9 18.6 9.5 54 55 A Y G >> S+ 0 0 63 1,-0.3 3,-0.9 2,-0.2 4,-0.8 0.747 83.1 79.6 -56.3 -23.8 -19.2 15.8 6.7 55 56 A M G <4 S+ 0 0 0 -3,-1.7 4,-0.5 1,-0.3 3,-0.4 0.805 81.0 65.1 -56.8 -26.3 -16.6 18.1 4.8 56 57 A R G X4 S+ 0 0 1 -3,-2.3 3,-1.9 -4,-0.2 -1,-0.3 0.935 94.7 56.9 -61.3 -42.8 -13.9 16.5 7.0 57 58 A S G X4 S+ 0 0 50 -3,-0.9 3,-1.0 -4,-0.4 -1,-0.2 0.830 101.2 58.1 -59.4 -29.9 -14.6 13.1 5.5 58 59 A R G 3< S+ 0 0 61 -4,-0.8 6,-2.5 -3,-0.4 -1,-0.3 0.630 91.8 71.3 -76.2 -11.8 -13.8 14.6 2.0 59 60 A M G < 0 0 0 -3,-1.9 -44,-3.1 -4,-0.5 -1,-0.2 0.312 360.0 360.0 -87.3 7.6 -10.3 15.7 3.2 60 61 A R < 0 0 101 -3,-1.0 -2,-0.2 -46,-0.2 -3,-0.1 0.663 360.0 360.0-123.4 360.0 -8.9 12.2 3.3 61 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 62 69 A E 0 0 222 0, 0.0 2,-0.1 0, 0.0 -4,-0.0 0.000 360.0 360.0 360.0 -34.9 -16.2 11.5 -3.4 63 70 A S - 0 0 53 1,-0.1 -4,-0.2 -3,-0.1 -5,-0.1 -0.471 360.0-102.1 -96.7 158.7 -13.2 13.3 -1.9 64 71 A F - 0 0 7 -6,-2.5 -1,-0.1 -9,-0.2 6,-0.1 -0.258 35.0-127.5 -64.9 163.4 -11.7 16.8 -2.4 65 72 A A > - 0 0 47 4,-0.3 3,-2.5 3,-0.1 -54,-0.4 -0.960 18.4-117.6-121.6 123.4 -8.6 17.1 -4.6 66 73 A P T 3 S+ 0 0 43 0, 0.0 -54,-0.2 0, 0.0 -53,-0.1 -0.284 104.1 27.1 -52.5 139.9 -5.5 18.9 -3.5 67 74 A G T 3 S+ 0 0 46 -56,-2.5 -55,-0.1 1,-0.2 -57,-0.0 0.265 108.0 94.3 83.9 -9.9 -4.8 21.9 -5.7 68 75 A S S < S- 0 0 61 -3,-2.5 -57,-1.8 -57,-0.4 -1,-0.2 -0.829 85.0 -88.4-115.1 155.0 -8.6 22.3 -6.5 69 76 A P B -C 10 0A 33 0, 0.0 -4,-0.3 0, 0.0 -59,-0.2 -0.238 42.1-115.2 -57.1 142.1 -11.3 24.4 -4.9 70 77 A I - 0 0 0 -61,-2.3 28,-2.8 28,-0.2 2,-0.3 -0.455 33.9-153.5 -62.3 151.4 -13.2 23.0 -2.0 71 78 A T E + G 0 97B 44 26,-0.2 2,-0.3 -2,-0.1 26,-0.2 -0.913 28.4 131.7-129.7 158.9 -16.9 22.4 -2.9 72 79 A G E - G 0 96B 0 24,-2.3 24,-2.9 -2,-0.3 2,-0.1 -0.962 57.3 -41.5 176.7-179.7 -20.0 22.3 -0.6 73 80 A Y E + G 0 95B 23 -2,-0.3 -23,-3.1 22,-0.2 2,-0.3 -0.411 65.6 150.7 -67.6 134.1 -23.5 23.6 -0.1 74 81 A G E -DG 49 94B 3 20,-2.9 20,-1.8 -25,-0.2 2,-0.4 -0.900 44.1-112.1-148.9-176.8 -24.1 27.2 -0.9 75 82 A V E +DG 48 93B 0 -27,-2.0 -28,-3.2 -2,-0.3 -27,-1.6 -0.990 41.2 170.1-120.9 128.4 -26.5 30.0 -2.0 76 83 A A E -DG 46 92B 3 16,-2.6 16,-2.5 -2,-0.4 2,-0.5 -0.926 33.0-124.8-140.8 162.9 -25.8 31.7 -5.4 77 84 A K E -DG 45 91B 88 -32,-3.0 -32,-2.8 -2,-0.3 2,-0.3 -0.942 33.9-121.6-109.6 130.0 -27.2 34.1 -7.9 78 85 A V E +D 44 0B 1 12,-3.1 11,-2.9 -2,-0.5 -34,-0.3 -0.537 31.3 173.3 -72.1 132.8 -27.5 32.8 -11.5 79 86 A L E - 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