==== 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 4DOK . COMPND 2 MOLECULE: SIMILARITY TO CHALCONE-FLAVONONE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR J.P.NOEL,G.V.LOUIE,M.E.BOWMAN . 416 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20517.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 309 74.3 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 25.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 36 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 32.2 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 0 2 0 2 0 2 0 2 0 0 0 4 0 0 2 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 0 2 6 0 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 2 A S 0 0 170 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -56.8 25.1 18.6 28.5 2 3 A T - 0 0 124 1,-0.4 2,-0.0 0, 0.0 0, 0.0 -0.006 360.0 -95.9-115.7 26.7 22.0 20.2 30.1 3 4 A G - 0 0 46 10,-0.0 -1,-0.4 2,-0.0 2,-0.3 -0.089 39.6 -95.6 83.8 172.5 21.7 17.9 33.1 4 5 A M - 0 0 94 9,-0.1 2,-0.5 -3,-0.1 -1,-0.0 -0.976 19.6-125.5-132.9 145.1 19.5 14.8 33.6 5 6 A V E -A 12 0A 50 7,-2.9 7,-2.3 -2,-0.3 2,-0.6 -0.759 29.2-134.4 -87.1 129.6 16.1 14.2 35.1 6 7 A M E -A 11 0A 106 -2,-0.5 2,-0.7 5,-0.2 3,-0.1 -0.775 20.0-172.7 -91.5 118.7 16.3 11.4 37.8 7 8 A V E > S-A 10 0A 1 3,-3.1 3,-1.4 -2,-0.6 21,-0.1 -0.920 81.9 -27.9-110.3 103.6 13.5 8.8 37.5 8 9 A H T 3 S- 0 0 79 -2,-0.7 -1,-0.2 1,-0.3 -2,-0.0 0.936 127.0 -49.9 52.3 48.2 13.8 6.6 40.6 9 10 A E T 3 S+ 0 0 158 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.550 116.6 117.7 68.5 11.5 17.6 7.4 40.6 10 11 A V E < -A 7 0A 11 -3,-1.4 -3,-3.1 80,-0.0 2,-0.2 -0.936 66.6-121.9-109.4 125.9 17.9 6.5 36.9 11 12 A P E +A 6 0A 54 0, 0.0 -5,-0.2 0, 0.0 -8,-0.0 -0.469 31.0 179.4 -72.6 133.6 19.0 9.4 34.6 12 13 A F E -A 5 0A 0 -7,-2.3 -7,-2.9 -2,-0.2 12,-0.1 -0.984 33.6-111.3-130.3 138.6 16.8 10.5 31.7 13 14 A P - 0 0 30 0, 0.0 -9,-0.1 0, 0.0 3,-0.1 -0.481 23.7-130.7 -69.0 144.5 17.5 13.3 29.2 14 15 A P S S+ 0 0 49 0, 0.0 10,-1.9 0, 0.0 2,-0.3 0.821 89.5 14.7 -63.3 -30.5 15.0 16.1 29.7 15 16 A Q E -B 23 0B 97 8,-0.2 2,-0.4 32,-0.1 8,-0.2 -0.978 61.8-155.0-143.7 155.3 14.3 16.1 26.0 16 17 A I E -B 22 0B 39 6,-1.9 6,-2.3 -2,-0.3 2,-0.6 -0.999 18.5-144.1-130.8 130.5 14.9 13.8 23.0 17 18 A I E +B 21 0B 123 -2,-0.4 -2,-0.0 4,-0.2 6,-0.0 -0.876 36.3 144.8-105.1 115.1 15.0 15.4 19.5 18 19 A T S S- 0 0 43 2,-2.1 -1,-0.1 -2,-0.6 129,-0.0 0.530 90.2 -22.3-105.8-103.4 13.6 13.4 16.6 19 20 A S S S- 0 0 87 1,-0.2 -2,-0.1 2,-0.0 0, 0.0 0.662 143.8 -7.9 -81.4 -16.9 11.9 15.6 13.9 20 21 A K S S- 0 0 52 -4,-0.1 -2,-2.1 0, 0.0 -1,-0.2 -0.946 101.6 -60.6-164.3 169.4 11.6 18.2 16.7 21 22 A P E -B 17 0B 61 0, 0.0 2,-0.4 0, 0.0 -4,-0.2 -0.419 45.7-162.6 -66.5 132.4 12.1 18.4 20.5 22 23 A L E -B 16 0B 0 -6,-2.3 -6,-1.9 -2,-0.2 2,-0.3 -0.960 11.2-139.1-116.5 132.9 10.1 16.0 22.6 23 24 A S E -BC 15 48B 27 25,-2.6 25,-2.1 -2,-0.4 2,-1.7 -0.665 22.6-111.1 -94.3 147.9 9.6 16.6 26.4 24 25 A L E + C 0 47B 22 -10,-1.9 23,-0.2 -2,-0.3 3,-0.1 -0.596 52.4 158.8 -74.3 90.0 9.7 13.9 29.1 25 26 A L E + 0 0 17 -2,-1.7 2,-0.4 21,-1.6 177,-0.4 0.666 58.9 39.2 -90.6 -20.2 6.0 14.3 29.9 26 27 A G E + C 0 46B 0 20,-1.7 20,-3.1 -3,-0.2 2,-0.3 -0.995 62.9 166.0-133.9 138.8 5.6 10.9 31.6 27 28 A Q E + C 0 45B 66 -2,-0.4 2,-0.3 167,-0.2 171,-0.3 -0.991 17.3 108.8-147.9 153.3 7.8 9.0 33.9 28 29 A G E - C 0 44B 5 16,-1.9 16,-3.2 -2,-0.3 2,-0.3 -0.965 46.9 -93.8 172.6-157.9 7.5 6.0 36.2 29 30 A I E - C 0 43B 5 -2,-0.3 2,-0.5 14,-0.3 165,-0.4 -0.901 16.1-124.7-144.1 168.8 8.5 2.4 36.7 30 31 A T E + C 0 42B 16 12,-1.8 11,-2.5 -2,-0.3 12,-1.2 -0.972 44.4 158.6-115.1 133.8 7.3 -1.2 36.1 31 32 A D E - C 0 40B 72 -2,-0.5 2,-0.3 160,-0.3 9,-0.2 -0.922 28.0-155.9-147.6 173.4 7.3 -3.2 39.3 32 33 A I E - C 0 39B 90 7,-1.4 7,-2.5 -2,-0.3 2,-0.6 -0.976 28.1-115.0-151.6 144.6 5.8 -6.3 40.9 33 34 A E E + C 0 38B 98 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.766 36.4 175.5 -88.5 124.4 5.3 -7.2 44.5 34 35 A I E > - C 0 37B 73 3,-2.8 3,-1.6 -2,-0.6 194,-0.1 -0.997 69.0 -7.7-130.1 125.6 7.4 -10.1 45.6 35 36 A H T 3 S- 0 0 114 -2,-0.4 193,-0.3 1,-0.3 -1,-0.1 0.911 130.2 -54.9 54.7 46.9 7.5 -11.3 49.2 36 37 A F T 3 S+ 0 0 39 191,-0.3 2,-0.3 1,-0.2 -1,-0.3 0.453 119.4 103.6 68.9 3.8 5.5 -8.3 50.4 37 38 A L E < S-C 34 0B 46 -3,-1.6 -3,-2.8 190,-0.0 2,-0.4 -0.890 75.9-112.0-121.4 150.1 8.0 -5.9 48.8 38 39 A Q E -C 33 0B 25 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.2 -0.620 28.1-162.1 -76.8 123.3 8.1 -3.7 45.6 39 40 A V E -C 32 0B 35 -7,-2.5 -7,-1.4 -2,-0.4 2,-0.5 -0.937 9.3-147.8-109.8 113.6 10.6 -5.0 43.1 40 41 A K E +C 31 0B 55 -2,-0.6 -9,-0.2 -9,-0.2 3,-0.1 -0.694 23.1 170.6 -84.7 124.6 11.5 -2.4 40.5 41 42 A F E + 0 0 32 -11,-2.5 51,-3.1 -2,-0.5 52,-1.6 0.823 61.0 3.8-100.1 -41.2 12.3 -3.8 37.1 42 43 A T E -CD 30 91B 7 -12,-1.2 -12,-1.8 49,-0.3 2,-0.4 -0.977 55.6-134.3-146.3 158.1 12.5 -0.8 34.8 43 44 A A E -CD 29 90B 0 47,-2.3 47,-2.6 -2,-0.3 2,-0.4 -0.929 29.6-155.0-110.5 138.0 12.3 3.0 34.8 44 45 A I E -CD 28 89B 0 -16,-3.2 -16,-1.9 -2,-0.4 2,-0.4 -0.923 15.6-175.7-121.5 143.0 10.1 4.5 32.0 45 46 A G E -CD 27 88B 0 43,-2.2 43,-3.0 -2,-0.4 2,-0.5 -0.996 9.7-158.6-136.0 127.1 10.1 7.9 30.3 46 47 A V E -CD 26 87B 0 -20,-3.1 -20,-1.7 -2,-0.4 -21,-1.6 -0.937 10.2-158.1-110.2 124.5 7.5 8.9 27.7 47 48 A Y E +CD 24 86B 0 39,-3.3 39,-1.7 -2,-0.5 2,-0.3 -0.890 20.8 156.1-109.0 126.4 8.5 11.7 25.3 48 49 A L E -C 23 0B 0 -25,-2.1 -25,-2.6 -2,-0.5 37,-0.1 -0.971 43.6-111.4-143.2 154.0 6.0 13.9 23.5 49 50 A D >> - 0 0 22 35,-0.5 4,-2.0 -2,-0.3 3,-0.7 -0.778 21.8-143.4 -88.6 123.8 5.9 17.4 21.9 50 51 A P H 3> S+ 0 0 41 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.867 101.4 57.3 -54.2 -37.3 3.6 19.7 23.9 51 52 A S H 3> S+ 0 0 57 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.875 106.3 48.8 -63.4 -36.9 2.5 21.4 20.7 52 53 A D H <> S+ 0 0 23 -3,-0.7 4,-2.9 2,-0.2 5,-0.3 0.889 108.7 54.1 -68.2 -39.5 1.4 18.0 19.3 53 54 A V H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.942 110.9 45.9 -58.1 -47.6 -0.5 17.3 22.6 54 55 A K H < S+ 0 0 122 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.862 115.3 47.4 -63.3 -38.0 -2.3 20.6 22.2 55 56 A T H < S+ 0 0 104 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.868 123.8 28.1 -72.8 -40.0 -3.1 20.0 18.5 56 57 A H H < S+ 0 0 77 -4,-2.9 3,-0.2 1,-0.1 -2,-0.2 0.659 125.3 40.4 -99.1 -18.6 -4.4 16.4 18.9 57 58 A L >< + 0 0 1 -4,-2.4 3,-2.3 -5,-0.3 -3,-0.1 0.121 68.9 121.8-119.7 23.4 -5.8 16.2 22.4 58 59 A D G > + 0 0 75 -4,-0.4 3,-1.8 1,-0.3 -1,-0.1 0.753 65.2 72.2 -56.0 -26.9 -7.6 19.6 22.6 59 60 A N G 3 S+ 0 0 142 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.674 95.8 52.5 -64.2 -16.0 -10.9 17.8 23.3 60 61 A W G X S+ 0 0 37 -3,-2.3 3,-1.6 2,-0.1 -1,-0.3 0.287 78.4 128.7-103.8 9.7 -9.6 16.9 26.7 61 62 A K T < + 0 0 108 -3,-1.8 147,-0.1 1,-0.2 3,-0.1 -0.332 67.8 33.1 -63.2 146.8 -8.6 20.4 27.8 62 63 A G T 3 S+ 0 0 65 1,-0.3 -1,-0.2 142,-0.3 2,-0.2 0.160 90.2 122.8 92.5 -20.1 -10.0 21.4 31.2 63 64 A K < - 0 0 78 -3,-1.6 -1,-0.3 1,-0.1 144,-0.1 -0.519 60.3-125.8 -77.8 143.0 -9.7 17.8 32.5 64 65 A T > - 0 0 67 -2,-0.2 4,-2.2 -3,-0.1 5,-0.2 -0.352 24.6-107.6 -81.9 167.4 -7.7 17.2 35.6 65 66 A G H > S+ 0 0 8 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.889 121.7 53.8 -61.8 -38.3 -4.9 14.7 35.8 66 67 A K H > S+ 0 0 182 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.897 109.1 47.7 -62.6 -42.3 -7.1 12.5 37.9 67 68 A E H 4 S+ 0 0 103 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.876 113.7 47.0 -67.3 -39.3 -9.9 12.6 35.3 68 69 A L H >< S+ 0 0 2 -4,-2.2 3,-1.5 1,-0.2 7,-0.2 0.872 107.5 56.1 -70.7 -38.1 -7.5 11.8 32.5 69 70 A A H 3< S+ 0 0 24 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.743 108.9 48.6 -66.7 -22.9 -5.7 9.0 34.3 70 71 A G T 3< S+ 0 0 69 -4,-0.9 2,-0.5 -3,-0.2 -1,-0.3 0.159 96.4 83.9-103.3 18.6 -9.1 7.3 34.8 71 72 A D X> - 0 0 41 -3,-1.5 4,-1.1 1,-0.1 3,-0.5 -0.925 49.8-174.4-126.9 108.6 -10.2 7.6 31.2 72 73 A D H 3> S+ 0 0 58 -2,-0.5 4,-2.2 1,-0.2 5,-0.2 0.770 84.8 66.2 -70.7 -26.2 -9.1 5.0 28.6 73 74 A D H 3> S+ 0 0 110 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.870 99.8 54.2 -62.5 -33.3 -10.6 6.8 25.7 74 75 A F H <> S+ 0 0 0 -3,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.947 110.2 43.9 -64.0 -49.5 -8.1 9.5 26.4 75 76 A F H X S+ 0 0 0 -4,-1.1 4,-2.2 -7,-0.2 -2,-0.2 0.796 111.8 53.1 -68.5 -27.1 -5.2 7.1 26.2 76 77 A D H X S+ 0 0 55 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.867 109.9 49.6 -73.5 -33.7 -6.6 5.5 23.1 77 78 A A H X S+ 0 0 32 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.881 110.2 50.1 -68.9 -39.6 -6.8 8.9 21.6 78 79 A L H < S+ 0 0 0 -4,-2.2 -2,-0.2 2,-0.2 5,-0.2 0.920 114.2 44.6 -64.0 -43.8 -3.2 9.6 22.6 79 80 A A H < S+ 0 0 7 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.876 116.0 46.3 -68.6 -37.9 -2.1 6.3 21.0 80 81 A S H < S+ 0 0 76 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.770 88.4 108.8 -75.4 -27.2 -4.2 6.8 17.8 81 82 A A S < S- 0 0 14 -4,-2.0 2,-1.8 -5,-0.2 -25,-0.0 -0.241 76.1-125.5 -54.8 132.8 -3.0 10.4 17.5 82 83 A E S S+ 0 0 102 -30,-0.1 2,-0.3 -26,-0.0 68,-0.2 -0.565 73.4 106.2 -83.9 76.9 -0.6 10.9 14.5 83 84 A M S S- 0 0 2 -2,-1.8 2,-0.1 66,-0.2 65,-0.0 -0.972 74.0-102.6-147.6 144.9 2.3 12.5 16.4 84 85 A E - 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