==== 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 4DOO . COMPND 2 MOLECULE: CHALCONE-FLAVANONE ISOMERASE FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR J.P.NOEL,F.POJER,G.V.LOUIE,M.E.BOWMAN . 406 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20221.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 308 75.9 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 . 100 24.6 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 . 6 1.5 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-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 . 38 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 32.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 0 2 0 1 2 1 0 2 2 0 2 0 0 0 0 1 1 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 4 0 0 0 6 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 . 2 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 3 A E 0 0 209 0, 0.0 11,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 134.9 -24.5 -7.3 11.4 2 4 A S - 0 0 67 11,-0.1 2,-0.5 1,-0.1 9,-0.0 -0.028 360.0-130.9 -51.1 153.5 -21.0 -6.2 10.3 3 5 A V E -A 12 0A 64 9,-3.5 9,-2.5 2,-0.0 2,-0.4 -0.947 16.8-147.6-113.1 127.2 -19.0 -8.4 8.1 4 6 A V E -A 11 0A 79 -2,-0.5 7,-0.2 7,-0.2 6,-0.1 -0.805 12.0-134.6 -99.3 132.7 -15.4 -9.1 9.0 5 7 A E > - 0 0 17 5,-3.2 4,-3.3 -2,-0.4 5,-0.4 -0.768 24.3-148.7 -82.2 111.1 -12.7 -9.7 6.5 6 8 A P T 4 S+ 0 0 111 0, 0.0 -1,-0.2 0, 0.0 5,-0.0 0.881 86.1 51.4 -47.7 -56.6 -11.0 -12.8 8.0 7 9 A K T 4 S+ 0 0 126 1,-0.2 -2,-0.0 -3,-0.1 20,-0.0 0.858 126.8 23.3 -55.8 -40.3 -7.4 -12.4 7.0 8 10 A T T 4 S- 0 0 26 -3,-0.4 -1,-0.2 2,-0.1 3,-0.1 0.706 94.7-132.2 -99.4 -25.8 -7.1 -8.8 8.3 9 11 A G < + 0 0 44 -4,-3.3 2,-0.1 1,-0.3 -2,-0.1 0.409 53.4 148.8 87.3 -2.7 -9.9 -8.7 10.9 10 12 A F - 0 0 15 -5,-0.4 -5,-3.2 -6,-0.1 2,-0.3 -0.402 38.4-136.7 -69.5 141.4 -11.2 -5.4 9.5 11 13 A S E -A 4 0A 53 -7,-0.2 -7,-0.2 -2,-0.1 -1,-0.1 -0.787 16.5-169.7-105.7 143.0 -15.0 -4.9 9.8 12 14 A F E -A 3 0A 0 -9,-2.5 -9,-3.5 -2,-0.3 10,-0.0 -0.994 29.1-113.8-128.6 132.3 -17.5 -3.5 7.3 13 15 A P - 0 0 38 0, 0.0 -11,-0.1 0, 0.0 9,-0.1 -0.349 22.2-125.0 -65.3 145.1 -21.1 -2.6 8.0 14 16 A A S S+ 0 0 39 1,-0.1 8,-2.4 7,-0.1 2,-0.3 0.705 91.1 3.3 -62.3 -20.3 -23.7 -4.7 6.3 15 17 A S E -B 21 0B 42 6,-0.2 2,-0.4 31,-0.1 6,-0.2 -0.983 62.5-137.7-160.6 161.9 -25.2 -1.5 4.9 16 18 A I E >> S-B 20 0B 47 4,-2.3 4,-1.4 -2,-0.3 3,-0.6 -0.968 89.9 -7.4-130.1 113.1 -24.7 2.2 4.7 17 19 A G T 34 S- 0 0 61 -2,-0.4 -1,-0.1 1,-0.2 4,-0.1 0.681 109.2 -85.6 77.5 17.5 -27.7 4.5 5.1 18 20 A D T 34 S+ 0 0 137 2,-0.2 -1,-0.2 1,-0.1 3,-0.1 0.273 128.1 65.9 68.4 -12.9 -30.1 1.5 5.1 19 21 A S T <4 S+ 0 0 45 -3,-0.6 30,-2.5 1,-0.1 2,-0.7 0.642 83.0 72.6-111.4 -21.1 -30.2 1.7 1.2 20 22 A R E < -BC 16 48B 33 -4,-1.4 -4,-2.3 28,-0.2 2,-0.4 -0.856 69.2-159.4-102.5 108.9 -26.6 0.7 0.3 21 23 A R E -BC 15 47B 93 26,-2.2 26,-1.9 -2,-0.7 2,-0.5 -0.700 19.3-122.3 -95.2 137.5 -25.9 -3.0 0.8 22 24 A L E + C 0 46B 25 -8,-2.4 24,-0.3 -2,-0.4 3,-0.1 -0.596 36.2 168.2 -72.2 122.4 -22.5 -4.6 1.2 23 25 A L E + 0 0 8 22,-3.1 173,-0.3 -2,-0.5 2,-0.3 0.615 58.7 13.9-111.6 -20.1 -22.2 -7.2 -1.5 24 26 A G E - C 0 45B 4 21,-1.2 21,-3.0 169,-0.1 2,-0.4 -0.983 52.8-161.5-159.3 146.4 -18.6 -8.2 -1.5 25 27 A V E + C 0 44B 24 -2,-0.3 2,-0.2 19,-0.2 19,-0.2 -0.997 26.0 150.4-131.0 133.1 -15.4 -7.9 0.6 26 28 A G E - C 0 43B 2 17,-2.5 17,-2.7 -2,-0.4 2,-0.4 -0.827 37.2-107.0-147.7-174.0 -11.9 -8.4 -0.6 27 29 A L E - C 0 42B 8 15,-0.2 2,-0.7 -2,-0.2 15,-0.2 -0.975 14.8-146.5-126.9 138.1 -8.2 -7.5 -0.3 28 30 A R E - C 0 41B 43 13,-3.0 12,-2.2 -2,-0.4 13,-1.4 -0.924 30.9-173.1-102.9 114.8 -6.0 -5.4 -2.6 29 31 A K E - C 0 39B 102 -2,-0.7 2,-0.5 156,-0.3 10,-0.2 -0.606 23.4-138.7-107.8 169.0 -2.5 -6.9 -2.5 30 32 A K E - C 0 38B 110 8,-2.3 8,-2.0 -2,-0.2 2,-0.6 -0.991 19.7-139.6-127.5 117.8 0.9 -6.0 -3.9 31 33 A S E - C 0 37B 89 -2,-0.5 6,-0.2 6,-0.2 2,-0.1 -0.695 24.8-174.7 -82.2 120.9 2.9 -8.8 -5.4 32 34 A L - 0 0 73 4,-2.1 2,-0.1 -2,-0.6 4,-0.0 -0.298 42.0 -51.6 -99.8-170.0 6.6 -8.5 -4.5 33 35 A L S > S- 0 0 156 -2,-0.1 3,-1.6 2,-0.1 -1,-0.2 -0.401 101.3 -27.3 -68.9 139.4 9.5 -10.6 -5.6 34 36 A G T 3 S- 0 0 72 1,-0.2 -2,-0.1 -2,-0.1 0, 0.0 -0.320 130.9 -10.8 62.2-133.8 9.2 -14.3 -5.3 35 37 A L T 3 S+ 0 0 179 -2,-0.1 2,-0.4 -4,-0.1 -1,-0.2 0.317 106.7 115.2 -82.4 8.1 6.9 -15.6 -2.6 36 38 A K < + 0 0 143 -3,-1.6 -4,-2.1 -4,-0.0 2,-0.3 -0.647 35.3 160.4 -86.0 134.9 6.6 -12.2 -1.1 37 39 A N E -C 31 0B 92 -2,-0.4 2,-0.4 -6,-0.2 -6,-0.2 -0.983 22.5-150.9-148.4 153.4 3.3 -10.4 -1.0 38 40 A I E -C 30 0B 47 -8,-2.0 -8,-2.3 -2,-0.3 2,-0.8 -0.991 15.3-135.6-131.5 136.6 1.7 -7.6 1.0 39 41 A D E +C 29 0B 33 -2,-0.4 -10,-0.2 -10,-0.2 54,-0.2 -0.833 26.1 179.8 -88.3 114.2 -1.9 -6.9 1.9 40 42 A V E - 0 0 20 -12,-2.2 52,-2.4 -2,-0.8 53,-1.8 0.936 56.9 -21.9 -83.2 -51.5 -2.3 -3.2 1.2 41 43 A Y E -CD 28 91B 22 -13,-1.4 -13,-3.0 50,-0.3 2,-0.3 -0.990 53.1-124.5-157.7 157.8 -6.0 -2.6 2.1 42 44 A A E -CD 27 90B 0 48,-2.4 48,-2.5 -2,-0.3 2,-0.3 -0.788 31.6-165.5-100.9 149.0 -9.3 -4.4 2.6 43 45 A F E -CD 26 89B 0 -17,-2.7 -17,-2.5 -2,-0.3 2,-0.4 -0.969 14.6-156.7-138.8 154.2 -12.3 -3.2 0.7 44 46 A G E -CD 25 88B 0 44,-1.8 44,-2.5 -2,-0.3 2,-0.6 -0.998 13.1-146.1-129.9 133.0 -16.1 -3.6 0.7 45 47 A V E -CD 24 87B 1 -21,-3.0 -22,-3.1 -2,-0.4 -21,-1.2 -0.900 18.0-173.0-105.8 122.0 -18.3 -3.0 -2.3 46 48 A Y E -CD 22 86B 0 40,-3.3 40,-1.9 -2,-0.6 2,-0.3 -0.862 4.4-171.4-113.6 146.3 -21.8 -1.5 -1.7 47 49 A A E -CD 21 85B 0 -26,-1.9 -26,-2.2 -2,-0.3 2,-0.3 -0.998 32.0-107.3-138.4 140.3 -24.7 -1.1 -4.1 48 50 A D E > -C 20 0B 7 36,-2.7 4,-2.0 -2,-0.3 -28,-0.2 -0.507 26.1-143.7 -67.9 124.5 -28.0 0.7 -3.7 49 51 A C H > S+ 0 0 5 -30,-2.5 4,-2.6 -2,-0.3 5,-0.2 0.899 96.2 48.3 -56.1 -49.8 -30.8 -1.8 -3.5 50 52 A D H > S+ 0 0 106 -31,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.894 110.6 51.7 -61.5 -41.3 -33.4 0.1 -5.4 51 53 A D H > S+ 0 0 32 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.893 112.1 46.2 -62.8 -41.5 -31.0 0.9 -8.3 52 54 A V H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.924 110.7 52.8 -67.4 -43.6 -30.0 -2.8 -8.6 53 55 A K H X S+ 0 0 82 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.885 109.4 49.8 -59.2 -38.9 -33.7 -3.9 -8.5 54 56 A K H X S+ 0 0 134 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.912 109.7 49.8 -67.6 -42.5 -34.5 -1.5 -11.3 55 57 A L H X S+ 0 0 17 -4,-1.9 4,-3.1 2,-0.2 5,-0.5 0.953 114.9 43.9 -60.5 -50.4 -31.7 -2.6 -13.5 56 58 A V H X S+ 0 0 7 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.926 113.1 51.7 -61.3 -45.3 -32.7 -6.3 -13.1 57 59 A G H < S+ 0 0 41 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.801 117.4 39.6 -62.8 -28.6 -36.4 -5.5 -13.6 58 60 A D H < S+ 0 0 107 -4,-1.8 3,-0.2 -3,-0.2 -2,-0.2 0.875 130.0 23.8 -89.2 -41.6 -35.6 -3.6 -16.8 59 61 A K H < S+ 0 0 97 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.656 133.1 33.9 -99.2 -18.5 -33.0 -5.8 -18.4 60 62 A Y S >< S+ 0 0 9 -4,-2.5 3,-1.7 -5,-0.5 -1,-0.1 -0.176 78.9 176.0-130.0 41.6 -33.6 -9.2 -16.8 61 63 A A T 3 - 0 0 52 1,-0.3 -4,-0.1 -3,-0.2 -3,-0.1 -0.151 68.6 -1.5 -53.7 136.9 -37.4 -9.2 -16.3 62 64 A N T 3 S+ 0 0 170 1,-0.2 -1,-0.3 -5,-0.0 -5,-0.1 0.626 97.7 132.3 57.9 19.1 -38.9 -12.4 -14.9 63 65 A L < - 0 0 53 -3,-1.7 -1,-0.2 -7,-0.2 2,-0.1 -0.806 56.2-121.4-102.7 142.0 -35.5 -14.2 -14.8 64 66 A P >> - 0 0 57 0, 0.0 4,-2.0 0, 0.0 3,-0.8 -0.378 31.0-104.2 -75.1 159.6 -34.4 -16.1 -11.7 65 67 A A H 3> S+ 0 0 28 1,-0.3 4,-3.1 2,-0.2 5,-0.3 0.881 119.8 55.8 -49.9 -46.5 -31.1 -15.2 -9.9 66 68 A S H 3> S+ 0 0 93 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.860 110.3 45.2 -58.4 -37.3 -29.2 -18.1 -11.4 67 69 A E H <4 S+ 0 0 106 -3,-0.8 4,-0.5 2,-0.2 -1,-0.2 0.824 112.2 51.1 -76.9 -31.1 -30.1 -17.1 -14.9 68 70 A I H >< S+ 0 0 0 -4,-2.0 3,-1.3 2,-0.2 6,-0.3 0.956 114.7 43.2 -67.5 -49.0 -29.3 -13.4 -14.3 69 71 A R H 3< S+ 0 0 57 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.843 107.4 62.0 -63.9 -34.7 -25.9 -14.4 -12.9 70 72 A G T 3< S+ 0 0 60 -4,-1.7 2,-0.5 -5,-0.3 -1,-0.3 0.625 82.3 98.7 -68.2 -12.8 -25.5 -16.9 -15.7 71 73 A N X - 0 0 29 -3,-1.3 3,-1.7 -4,-0.5 4,-0.4 -0.671 67.0-150.3 -81.0 121.0 -25.6 -14.1 -18.2 72 74 A K T 3 S+ 0 0 114 291,-0.6 4,-0.4 -2,-0.5 3,-0.3 0.778 97.0 59.8 -59.2 -25.4 -22.1 -13.0 -19.4 73 75 A S T 3> S+ 0 0 23 290,-0.4 4,-2.4 1,-0.2 -1,-0.3 0.634 80.7 87.4 -78.0 -15.3 -23.5 -9.5 -19.9 74 76 A F H <> S+ 0 0 3 -3,-1.7 4,-2.4 -6,-0.3 5,-0.2 0.906 85.3 50.8 -52.1 -52.0 -24.6 -9.1 -16.2 75 77 A M H > S+ 0 0 36 -4,-0.4 4,-2.0 -3,-0.3 -1,-0.2 0.928 114.8 42.1 -54.9 -50.3 -21.3 -7.7 -14.9 76 78 A D H > S+ 0 0 24 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.850 111.5 56.1 -68.2 -33.3 -21.0 -5.0 -17.6 77 79 A D H X S+ 0 0 14 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.912 109.0 47.4 -64.6 -40.6 -24.7 -4.1 -17.4 78 80 A L H < S+ 0 0 2 -4,-2.4 5,-0.2 -5,-0.2 3,-0.2 0.938 112.6 47.9 -64.0 -49.4 -24.3 -3.4 -13.6 79 81 A M H < S+ 0 0 5 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.825 115.2 44.6 -62.4 -34.8 -21.2 -1.3 -14.0 80 82 A E H < S+ 0 0 65 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.702 95.5 94.8 -84.9 -19.8 -22.7 0.8 -16.8 81 83 A A S < S- 0 0 19 -4,-1.4 2,-2.1 -3,-0.2 -29,-0.0 -0.249 91.8-103.2 -70.4 158.1 -26.0 1.3 -15.2 82 84 A D + 0 0 87 -31,-0.1 2,-0.5 69,-0.0 -1,-0.1 -0.566 67.0 149.8 -82.9 78.2 -26.8 4.4 -13.1 83 85 A I - 0 0 1 -2,-2.1 2,-0.3 -5,-0.2 65,-0.1 -0.967 47.5-127.5-117.2 123.4 -26.4 2.5 -9.8 84 86 A K + 0 0 48 -2,-0.5 -36,-2.7 -36,-0.1 2,-0.3 -0.523 40.4 171.2 -68.9 130.6 -25.2 4.3 -6.7 85 87 A M E -DE 47 148B 5 63,-1.1 63,-2.9 -2,-0.3 2,-0.4 -0.947 24.6-152.6-140.8 161.6 -22.3 2.5 -5.2 86 88 A T E -DE 46 147B 5 -40,-1.9 -40,-3.3 -2,-0.3 2,-0.6 -0.999 1.4-163.1-137.3 136.6 -19.7 2.8 -2.5 87 89 A I E -DE 45 146B 3 59,-3.0 59,-2.9 -2,-0.4 2,-0.6 -0.977 15.1-162.9-117.8 110.3 -16.2 1.3 -2.3 88 90 A R E -DE 44 145B 53 -44,-2.5 -44,-1.8 -2,-0.6 2,-0.4 -0.877 4.2-165.4-100.0 122.5 -14.9 1.5 1.3 89 91 A L E -DE 43 144B 16 55,-3.4 55,-2.5 -2,-0.6 2,-0.4 -0.869 7.3-169.5-106.8 139.5 -11.2 1.0 1.7 90 92 A Q E -DE 42 143B 26 -48,-2.5 -48,-2.4 -2,-0.4 53,-0.2 -0.972 27.8-123.0-129.7 113.8 -9.5 0.4 5.0 91 93 A I E +D 41 0B 8 51,-2.4 50,-3.2 -2,-0.4 -50,-0.3 -0.366 33.8 170.7 -62.5 124.7 -5.7 0.6 5.0 92 94 A V + 0 0 14 -52,-2.4 -51,-0.2 48,-0.2 2,-0.2 0.856 54.9 77.2 -98.8 -52.8 -4.0 -2.6 6.2 93 95 A Y - 0 0 69 -53,-1.8 3,-0.5 -54,-0.2 -53,-0.1 -0.442 64.3-156.9 -64.8 129.5 -0.3 -2.1 5.5 94 96 A G S S+ 0 0 47 1,-0.2 46,-0.2 -2,-0.2 -1,-0.1 0.476 79.0 59.1 -90.6 -0.9 1.3 0.2 8.0 95 97 A K + 0 0 160 44,-0.1 -1,-0.2 2,-0.1 2,-0.2 -0.115 66.9 140.0-120.9 39.1 4.3 1.6 6.1 96 98 A L - 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