==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 09-FEB-12 4DOI . COMPND 2 MOLECULE: CHALCONE--FLAVONONE ISOMERASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR J.P.NOEL,G.V.LOUIE,M.E.BOWMAN . 434 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19603.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 328 75.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 104 24.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 42 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 30.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 1 0 2 0 4 4 0 0 2 0 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 4 2 0 4 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 15 A A 0 0 39 0, 0.0 2,-1.6 0, 0.0 208,-0.1 0.000 360.0 360.0 360.0 -32.0 24.7 31.5 43.4 2 16 A V + 0 0 22 207,-0.0 2,-0.2 216,-0.0 25,-0.1 -0.600 360.0 157.3 -89.1 79.1 26.6 28.5 42.0 3 17 A T - 0 0 78 -2,-1.6 24,-0.1 1,-0.1 2,-0.1 -0.496 48.4 -94.7 -96.2 167.9 28.3 30.3 39.2 4 18 A K - 0 0 113 -2,-0.2 2,-0.4 7,-0.0 9,-0.2 -0.364 41.6-135.8 -74.3 164.4 31.5 29.3 37.3 5 19 A L E -A 12 0A 37 7,-2.2 7,-3.0 24,-0.1 2,-0.7 -0.992 7.1-150.5-131.7 131.2 34.7 30.8 38.6 6 20 A H E +A 11 0A 129 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.884 22.8 173.8-100.0 113.9 37.6 32.3 36.7 7 21 A V E > -A 10 0A 19 3,-2.4 3,-2.3 -2,-0.7 24,-0.1 -0.984 61.7 -42.0-125.4 120.9 40.8 32.0 38.6 8 22 A D T 3 S- 0 0 70 -2,-0.5 24,-0.0 1,-0.3 38,-0.0 -0.412 122.9 -31.5 56.8-132.6 44.1 33.0 37.0 9 23 A S T 3 S+ 0 0 106 -3,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.460 122.1 95.8 -94.8 0.9 43.7 31.6 33.5 10 24 A V E < -A 7 0A 13 -3,-2.3 -3,-2.4 83,-0.1 2,-0.5 -0.605 59.4-152.0 -93.5 149.5 41.6 28.7 34.5 11 25 A T E -A 6 0A 59 -2,-0.2 2,-0.6 -5,-0.2 -5,-0.2 -0.979 6.6-156.8-122.3 119.2 37.8 28.4 34.5 12 26 A F E -A 5 0A 2 -7,-3.0 -7,-2.2 -2,-0.5 15,-0.0 -0.852 18.6-133.3 -96.2 124.2 36.1 26.1 37.0 13 27 A V - 0 0 73 -2,-0.6 -10,-0.1 -9,-0.2 3,-0.0 -0.370 20.9-110.2 -75.8 155.8 32.6 25.0 35.9 14 28 A P S S+ 0 0 48 0, 0.0 13,-2.5 0, 0.0 2,-0.3 0.767 96.2 18.2 -53.7 -34.5 29.6 25.1 38.3 15 29 A S E -B 26 0B 62 11,-0.2 2,-0.3 35,-0.1 11,-0.2 -0.998 60.7-172.1-145.9 147.1 29.3 21.3 38.6 16 30 A V E -B 25 0B 12 9,-2.0 9,-2.4 -2,-0.3 2,-0.6 -0.939 28.4-117.1-134.6 157.3 31.4 18.2 38.0 17 31 A K E -B 24 0B 130 -2,-0.3 6,-0.1 7,-0.2 -2,-0.0 -0.858 37.5-116.6 -96.8 121.1 30.7 14.5 38.0 18 32 A S > - 0 0 1 5,-2.9 4,-2.0 -2,-0.6 132,-0.0 -0.349 11.0-147.0 -59.3 129.2 32.7 12.7 40.7 19 33 A P T 4 S+ 0 0 7 0, 0.0 152,-0.6 0, 0.0 -1,-0.2 0.691 99.9 44.6 -69.9 -16.4 35.2 10.2 39.2 20 34 A A T 4 S+ 0 0 51 150,-0.2 151,-0.1 3,-0.1 -2,-0.0 0.877 132.6 12.7 -93.1 -46.1 34.6 8.1 42.3 21 35 A S T 4 S- 0 0 42 2,-0.2 149,-0.0 149,-0.0 -3,-0.0 0.584 85.6-133.4-107.7 -16.0 30.8 8.2 42.8 22 36 A S < + 0 0 61 -4,-2.0 148,-0.0 1,-0.3 147,-0.0 0.580 62.7 135.8 69.0 10.3 29.7 9.6 39.5 23 37 A N - 0 0 75 -6,-0.1 -5,-2.9 1,-0.1 -1,-0.3 -0.579 62.3-102.8 -87.4 153.7 27.5 12.0 41.6 24 38 A P E -B 17 0B 57 0, 0.0 29,-0.5 0, 0.0 2,-0.4 -0.526 36.5-169.1 -76.7 140.8 27.2 15.7 40.8 25 39 A L E -B 16 0B 1 -9,-2.4 -9,-2.0 -2,-0.2 27,-0.2 -0.990 14.6-130.9-130.9 139.4 29.2 18.1 43.0 26 40 A F E -BC 15 51B 12 25,-2.4 25,-2.7 -2,-0.4 2,-0.8 -0.601 28.9 -99.8 -93.5 152.7 28.9 21.9 43.0 27 41 A L E + C 0 50B 0 -13,-2.5 23,-0.3 23,-0.2 3,-0.1 -0.560 38.2 177.9 -71.2 106.4 31.7 24.4 42.9 28 42 A G E - 0 0 0 21,-2.3 177,-0.3 -2,-0.8 2,-0.3 0.867 59.2 -45.1 -78.3 -37.9 32.3 25.5 46.5 29 43 A G E - C 0 49B 0 20,-1.6 20,-3.1 176,-0.1 2,-0.3 -0.957 48.9-148.6 178.7 168.2 35.2 27.9 45.8 30 44 A A E + C 0 48B 7 -2,-0.3 2,-0.3 167,-0.3 18,-0.2 -0.994 22.6 142.1-153.6 153.7 38.5 28.3 43.9 31 45 A G E - C 0 47B 6 16,-2.3 16,-3.0 -2,-0.3 2,-0.3 -0.921 39.4 -83.9-169.2-169.4 41.8 30.1 44.3 32 46 A V E - C 0 46B 36 -2,-0.3 2,-0.6 14,-0.2 165,-0.4 -0.775 15.5-140.8-118.0 162.0 45.5 29.8 43.8 33 47 A R E + C 0 45B 26 12,-2.7 11,-2.9 -2,-0.3 12,-1.5 -0.977 44.6 145.0-119.1 111.6 48.5 28.4 45.6 34 48 A G E - C 0 43B 13 -2,-0.6 2,-0.3 160,-0.5 9,-0.2 -0.926 29.1-157.1-143.6 169.6 51.4 30.7 45.3 35 49 A L E - C 0 42B 113 7,-2.3 7,-3.1 -2,-0.3 2,-0.7 -0.996 30.0-103.7-151.0 151.8 54.4 32.0 47.1 36 50 A D E - C 0 41B 102 -2,-0.3 2,-0.5 5,-0.3 5,-0.3 -0.671 38.2-176.6 -79.2 113.9 56.8 34.9 47.2 37 51 A I E > - C 0 40B 68 3,-3.6 3,-2.5 -2,-0.7 -2,-0.0 -0.967 69.3 -27.8-115.7 118.1 60.0 33.9 45.5 38 52 A Q T 3 S- 0 0 182 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.874 129.9 -42.4 42.6 50.9 62.8 36.5 45.5 39 53 A G T 3 S+ 0 0 61 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.292 121.0 101.5 86.0 -10.7 60.3 39.4 45.6 40 54 A K E < S-C 37 0B 151 -3,-2.5 -3,-3.6 -5,-0.0 2,-0.9 -0.912 70.9-129.2-114.0 135.5 57.9 37.9 43.0 41 55 A F E -C 36 0B 130 -2,-0.4 2,-0.5 -5,-0.3 -5,-0.3 -0.698 30.7-164.0 -81.1 107.2 54.6 36.1 43.8 42 56 A V E -C 35 0B 40 -7,-3.1 -7,-2.3 -2,-0.9 2,-0.5 -0.830 10.1-143.0 -98.5 124.6 54.8 32.9 41.9 43 57 A I E +C 34 0B 29 -2,-0.5 -9,-0.3 -9,-0.2 3,-0.1 -0.758 21.5 174.5 -88.3 123.6 51.7 30.8 41.3 44 58 A F E + 0 0 46 -11,-2.9 51,-2.6 -2,-0.5 52,-1.6 0.878 63.2 2.4 -92.4 -49.0 52.2 27.1 41.4 45 59 A T E -CD 33 94B 0 -12,-1.5 -12,-2.7 49,-0.2 2,-0.5 -0.942 55.1-136.7-140.8 161.3 48.7 25.7 41.1 46 60 A V E -CD 32 93B 2 47,-2.8 47,-3.1 -2,-0.3 2,-0.4 -0.988 31.6-158.7-119.7 122.7 45.1 26.8 40.6 47 61 A I E -CD 31 92B 3 -16,-3.0 -16,-2.3 -2,-0.5 2,-0.4 -0.867 16.1-172.0-116.3 138.4 42.6 25.0 42.8 48 62 A G E -CD 30 91B 0 43,-2.5 43,-2.7 -2,-0.4 2,-0.5 -0.984 9.3-157.6-125.5 133.5 38.9 24.3 42.7 49 63 A V E -CD 29 90B 0 -20,-3.1 -21,-2.3 -2,-0.4 -20,-1.6 -0.952 9.5-170.0-114.9 123.7 36.9 22.7 45.6 50 64 A Y E -CD 27 89B 2 39,-3.2 39,-2.5 -2,-0.5 2,-0.3 -0.864 3.5-165.8-112.3 146.8 33.6 21.0 44.9 51 65 A L E -CD 26 88B 0 -25,-2.7 -25,-2.4 -2,-0.3 37,-0.2 -0.871 27.0-100.2-130.3 161.1 31.1 19.7 47.5 52 66 A E > - 0 0 44 35,-1.3 3,-1.7 -2,-0.3 4,-0.4 -0.528 34.0-121.9 -78.0 147.1 28.0 17.5 47.6 53 67 A G T > S+ 0 0 14 -29,-0.5 3,-1.6 1,-0.3 166,-0.1 0.864 108.9 62.8 -58.1 -38.3 24.7 19.3 47.5 54 68 A N T 3> S+ 0 0 73 1,-0.3 4,-1.4 2,-0.2 -1,-0.3 0.597 86.5 77.4 -65.6 -8.4 23.5 17.8 50.9 55 69 A A H <> S+ 0 0 0 -3,-1.7 4,-2.9 2,-0.2 -1,-0.3 0.838 86.5 60.0 -70.0 -31.9 26.4 19.6 52.5 56 70 A V H <> S+ 0 0 1 -3,-1.6 4,-2.3 -4,-0.4 -1,-0.2 0.964 108.2 39.5 -63.3 -55.2 24.6 22.9 52.4 57 71 A P H > S+ 0 0 55 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.871 116.4 54.7 -64.2 -30.6 21.6 21.9 54.5 58 72 A S H >< S+ 0 0 55 -4,-1.4 3,-0.6 1,-0.2 4,-0.5 0.957 112.8 40.0 -64.5 -50.8 23.9 20.0 56.7 59 73 A L H >X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 3,-0.7 0.817 105.7 68.4 -68.0 -30.6 26.1 23.0 57.4 60 74 A S H 3X S+ 0 0 15 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.814 82.8 73.2 -59.5 -33.1 23.1 25.3 57.6 61 75 A V H << S+ 0 0 133 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.919 119.4 12.8 -48.1 -50.0 21.9 23.7 60.9 62 76 A K H <4 S+ 0 0 138 -3,-0.7 -2,-0.2 -4,-0.5 -1,-0.2 0.750 136.8 39.0-100.7 -26.4 24.8 25.4 62.8 63 77 A W H >< S+ 0 0 20 -4,-2.7 3,-2.1 2,-0.1 -3,-0.2 0.507 71.5 126.1-108.3 -4.1 26.1 28.0 60.4 64 78 A K T 3< S+ 0 0 108 -4,-1.9 3,-0.1 -5,-0.3 143,-0.1 -0.319 78.1 26.9 -57.5 130.9 23.2 29.6 58.5 65 79 A G T 3 S+ 0 0 44 1,-0.4 -1,-0.2 142,-0.4 2,-0.1 0.207 86.1 132.0 102.5 -16.2 23.4 33.3 58.8 66 80 A K < - 0 0 78 -3,-2.1 -1,-0.4 1,-0.1 144,-0.1 -0.440 54.6-123.1 -70.5 144.5 27.1 33.6 59.4 67 81 A T > - 0 0 57 -2,-0.1 4,-2.2 -3,-0.1 5,-0.2 -0.310 24.5-104.2 -81.7 169.6 28.9 36.2 57.2 68 82 A T H > S+ 0 0 21 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.922 122.9 49.8 -58.2 -46.3 31.8 35.6 54.9 69 83 A E H > S+ 0 0 114 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.906 109.4 50.8 -60.2 -45.3 34.2 37.1 57.4 70 84 A E H > S+ 0 0 89 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.898 114.3 43.6 -61.3 -42.4 32.9 35.0 60.3 71 85 A L H < S+ 0 0 0 -4,-2.2 3,-0.5 2,-0.2 7,-0.3 0.867 108.8 57.7 -72.6 -36.2 33.2 31.8 58.3 72 86 A T H < S+ 0 0 9 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.901 112.4 40.2 -61.5 -40.8 36.6 32.6 56.9 73 87 A E H < S+ 0 0 85 -4,-1.9 2,-0.7 -5,-0.2 -1,-0.2 0.550 93.1 107.5 -85.8 -6.7 38.1 33.0 60.4 74 88 A S X - 0 0 17 -4,-0.5 4,-1.5 -3,-0.5 5,-0.2 -0.621 43.5-176.5 -81.3 110.6 36.2 30.0 61.8 75 89 A I H > S+ 0 0 24 -2,-0.7 4,-1.9 1,-0.2 5,-0.2 0.940 87.1 52.4 -67.2 -45.5 38.4 26.9 62.4 76 90 A P H > S+ 0 0 67 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.885 105.6 54.4 -58.2 -41.3 35.3 24.9 63.4 77 91 A F H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.953 112.8 40.8 -59.9 -51.1 33.4 25.7 60.3 78 92 A F H X S+ 0 0 2 -4,-1.5 4,-2.5 -7,-0.3 -1,-0.2 0.795 111.3 57.0 -70.7 -24.6 36.1 24.5 57.9 79 93 A R H X S+ 0 0 66 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.877 105.7 52.2 -71.0 -33.4 36.8 21.5 60.1 80 94 A E H X S+ 0 0 52 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.850 109.6 49.0 -68.9 -34.1 33.1 20.6 59.7 81 95 A I H < S+ 0 0 0 -4,-1.5 3,-0.4 2,-0.2 -2,-0.2 0.957 114.0 45.7 -67.9 -49.2 33.5 20.9 55.9 82 96 A V H < S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.888 122.9 33.9 -60.5 -43.9 36.6 18.7 55.9 83 97 A T H < S+ 0 0 53 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.435 89.4 130.2 -94.4 -0.8 35.2 16.0 58.2 84 98 A G < - 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