==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 05-SEP-01 1JX0 . COMPND 2 MOLECULE: CHALCONE--FLAVONONE ISOMERASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: MEDICAGO SATIVA; . AUTHOR J.M.JEZ,M.E.BOWMAN,J.P.NOEL . 422 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18193.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 312 73.9 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 . 97 23.0 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 . 3 0.7 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-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 . 34 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 29.9 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 2 1 1 2 1 2 1 0 1 0 3 0 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 3 5 1 0 4 4 0 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 . 4 0 0 0 0 1 1 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 4 A S 0 0 157 0, 0.0 2,-0.4 0, 0.0 207,-0.0 0.000 360.0 360.0 360.0 -17.0 0.7 21.5 48.0 2 5 A I - 0 0 39 207,-0.0 2,-0.2 206,-0.0 12,-0.1 -0.765 360.0-159.5-101.8 137.4 3.8 21.6 45.8 3 6 A T - 0 0 102 -2,-0.4 24,-0.1 24,-0.1 2,-0.1 -0.532 14.0-105.8-113.6 176.9 4.6 24.5 43.3 4 7 A A - 0 0 35 -2,-0.2 2,-0.3 25,-0.0 10,-0.1 -0.280 19.0-146.3 -94.4 177.9 6.7 25.2 40.2 5 8 A I E -A 12 0A 42 7,-2.1 7,-2.4 -2,-0.1 2,-0.5 -0.935 1.3-158.7-153.4 123.2 9.9 27.1 39.5 6 9 A T E -A 11 0A 88 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -0.899 8.4-164.7-102.8 130.6 11.0 29.1 36.5 7 10 A V S S- 0 0 11 3,-2.1 39,-0.1 -2,-0.5 24,-0.0 -0.881 73.8 -27.6-122.1 97.8 14.7 29.5 36.2 8 11 A E S S- 0 0 99 -2,-0.6 -1,-0.1 1,-0.2 3,-0.1 0.928 126.5 -45.9 63.3 49.8 15.6 32.3 33.7 9 12 A N S S+ 0 0 144 1,-0.2 2,-0.4 -3,-0.0 -1,-0.2 0.866 114.8 114.1 63.9 38.8 12.5 31.9 31.7 10 13 A L - 0 0 22 2,-0.0 -3,-2.1 83,-0.0 2,-0.3 -0.899 60.7-142.0-137.2 102.7 12.7 28.1 31.6 11 14 A E E -A 6 0A 128 -2,-0.4 -5,-0.2 -5,-0.2 -7,-0.0 -0.566 14.9-164.2 -87.5 134.0 9.8 26.6 33.5 12 15 A Y E -A 5 0A 0 -7,-2.4 -7,-2.1 -2,-0.3 18,-0.0 -0.946 23.5-135.0-110.6 109.6 9.9 23.5 35.7 13 16 A P - 0 0 48 0, 0.0 3,-0.1 0, 0.0 -8,-0.1 0.129 17.2-115.9 -56.4 173.4 6.4 22.2 36.5 14 17 A A S S+ 0 0 24 1,-0.2 13,-2.4 -10,-0.1 2,-0.3 0.822 94.9 10.9 -83.7 -33.7 5.3 21.1 39.9 15 18 A V E -B 26 0B 60 11,-0.2 2,-0.3 35,-0.1 11,-0.2 -0.911 65.9-171.0-139.5 166.7 4.9 17.5 38.9 16 19 A V E -B 25 0B 24 9,-1.9 9,-1.8 -2,-0.3 2,-0.4 -0.992 13.2-145.6-158.6 155.9 5.7 15.2 35.9 17 20 A T E -B 24 0B 77 -2,-0.3 7,-0.2 7,-0.2 5,-0.1 -0.973 23.3-125.6-133.8 120.5 5.0 11.7 34.5 18 21 A S > - 0 0 10 5,-1.6 4,-0.9 -2,-0.4 151,-0.1 -0.378 5.0-156.8 -66.1 128.4 7.5 9.7 32.5 19 22 A P T 4 S+ 0 0 54 0, 0.0 -1,-0.2 0, 0.0 150,-0.1 0.663 97.4 52.7 -75.6 -14.5 6.3 8.4 29.1 20 23 A V T 4 S+ 0 0 54 148,-0.2 151,-0.1 1,-0.1 149,-0.1 0.916 128.5 8.0 -86.0 -53.5 9.0 5.8 29.6 21 24 A T T 4 S- 0 0 39 2,-0.1 -3,-0.1 0, 0.0 -1,-0.1 -0.005 87.6-129.6-122.9 29.9 8.3 4.2 33.1 22 25 A G < + 0 0 57 -4,-0.9 2,-0.1 -5,-0.1 -5,-0.0 0.592 60.5 139.2 32.2 24.8 5.0 5.8 33.9 23 26 A K - 0 0 62 29,-0.0 -5,-1.6 30,-0.0 2,-0.5 -0.402 48.3-130.6 -86.4 171.1 6.2 6.9 37.3 24 27 A S E -B 17 0B 28 -7,-0.2 29,-2.2 -2,-0.1 -7,-0.2 -0.960 21.9-170.3-131.1 119.2 5.4 10.4 38.7 25 28 A Y E -BC 16 52B 2 -9,-1.8 -9,-1.9 -2,-0.5 2,-0.4 -0.584 12.2-142.0-103.7 163.6 7.9 12.7 40.1 26 29 A F E -BC 15 51B 4 25,-2.6 25,-2.1 -11,-0.2 2,-0.7 -0.948 35.8 -97.7-123.6 144.1 7.6 16.0 42.0 27 30 A L E - C 0 50B 0 -13,-2.4 23,-0.2 -2,-0.4 3,-0.1 -0.485 39.1-179.9 -61.0 105.9 9.9 18.9 41.6 28 31 A G E - 0 0 0 21,-2.5 177,-0.3 -2,-0.7 2,-0.3 0.917 65.3 -39.6 -74.7 -41.5 12.4 18.5 44.5 29 32 A G E - C 0 49B 0 20,-1.3 20,-3.3 -3,-0.1 -1,-0.3 -0.932 51.8-143.5-178.8 155.9 14.2 21.7 43.4 30 33 A A + 0 0 3 -2,-0.3 2,-0.3 18,-0.3 18,-0.2 -0.456 27.0 146.1-115.5-169.7 15.4 23.7 40.5 31 34 A G - 0 0 9 16,-0.3 16,-3.5 -2,-0.2 2,-0.3 -0.957 35.5-106.9 161.0-172.8 18.5 25.7 39.9 32 35 A E E -D 46 0B 53 14,-0.3 2,-0.3 -2,-0.3 14,-0.2 -0.960 17.9-158.6-145.5 159.4 20.9 26.7 37.2 33 36 A R E +D 45 0B 51 12,-3.0 12,-2.4 -2,-0.3 11,-1.5 -0.965 25.4 129.9-140.2 153.6 24.5 25.9 36.2 34 37 A G E -D 43 0B 29 -2,-0.3 2,-0.3 9,-0.3 9,-0.3 -0.861 46.3 -58.3-170.8-154.2 27.1 27.7 34.1 35 38 A L E -D 42 0B 78 7,-2.7 7,-2.8 -2,-0.2 2,-0.5 -0.870 23.9-149.6-120.7 152.3 30.6 29.0 33.9 36 39 A T E +D 41 0B 99 -2,-0.3 2,-0.4 5,-0.3 5,-0.2 -0.931 30.0 152.5-120.6 106.1 32.8 31.4 35.8 37 40 A I E > S+D 40 0B 109 3,-1.9 3,-1.7 -2,-0.5 -2,-0.1 -0.997 71.6 7.4-134.1 136.0 35.4 33.2 33.8 38 41 A E T 3 S- 0 0 155 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.959 128.5 -65.5 56.0 54.9 36.8 36.6 34.8 39 42 A G T 3 S+ 0 0 78 -3,-0.2 2,-0.4 1,-0.1 -1,-0.3 0.515 112.9 119.0 48.7 5.8 34.9 36.4 38.1 40 43 A N E < -D 37 0B 108 -3,-1.7 -3,-1.9 2,-0.0 2,-0.8 -0.840 58.4-144.5-103.4 138.0 31.7 36.5 36.0 41 44 A F E -D 36 0B 106 -2,-0.4 2,-0.8 -5,-0.2 -5,-0.3 -0.849 13.7-168.7-103.4 102.4 29.2 33.7 36.2 42 45 A I E -D 35 0B 45 -7,-2.8 -7,-2.7 -2,-0.8 2,-0.4 -0.826 17.6-139.8 -93.4 114.2 27.6 33.1 32.8 43 46 A K E +D 34 0B 68 -2,-0.8 -9,-0.3 -9,-0.3 3,-0.1 -0.569 27.6 170.9 -76.7 125.7 24.6 30.8 33.2 44 47 A F E + 0 0 45 -11,-1.5 51,-4.0 -2,-0.4 52,-2.5 0.748 59.7 19.6-105.4 -32.8 24.3 28.2 30.4 45 48 A T E -DE 33 94B 10 -12,-2.4 -12,-3.0 49,-0.3 -1,-0.3 -1.000 62.3-132.9-145.9 146.6 21.6 25.8 31.5 46 49 A A E -DE 32 93B 0 47,-3.0 47,-1.0 -2,-0.3 2,-0.4 -0.555 25.3-155.8 -89.3 158.5 18.8 25.5 33.9 47 50 A I E + E 0 92B 14 -16,-3.5 2,-0.4 45,-0.2 -16,-0.3 -0.943 14.8 179.1-145.9 123.2 18.4 22.5 36.1 48 51 A G E - E 0 91B 0 43,-2.1 43,-1.9 -2,-0.4 2,-0.5 -0.931 14.6-150.8-120.6 144.7 15.5 20.9 37.8 49 52 A V E -CE 29 90B 0 -20,-3.3 -21,-2.5 -2,-0.4 -20,-1.3 -0.963 11.4-164.4-119.2 123.5 15.6 17.7 39.9 50 53 A Y E -CE 27 89B 2 39,-4.7 39,-2.1 -2,-0.5 2,-0.4 -0.805 3.4-161.3-109.5 144.7 12.7 15.4 40.2 51 54 A L E -CE 26 88B 0 -25,-2.1 -25,-2.6 -2,-0.4 37,-0.2 -0.970 27.9-110.5-123.8 140.4 12.0 12.7 42.7 52 55 A E E > -C 25 0B 15 35,-1.9 3,-2.0 -2,-0.4 -27,-0.3 -0.311 34.4-111.3 -63.5 148.4 9.5 9.8 42.3 53 56 A D T > S+ 0 0 32 -29,-2.2 3,-1.6 1,-0.3 4,-0.5 0.846 114.3 68.3 -50.8 -40.4 6.5 10.1 44.7 54 57 A I T 3> S+ 0 0 81 1,-0.3 4,-0.9 -30,-0.2 -1,-0.3 0.437 81.7 83.8 -63.9 5.9 7.6 7.1 46.7 55 58 A A H <> S+ 0 0 0 -3,-2.0 4,-2.9 2,-0.2 5,-0.3 0.824 78.8 59.8 -78.8 -34.1 10.5 9.2 47.9 56 59 A V H <> S+ 0 0 1 -3,-1.6 4,-2.8 -4,-0.2 5,-0.2 0.975 104.7 48.7 -59.5 -55.0 8.6 11.0 50.7 57 60 A A H 4 S+ 0 0 58 -4,-0.5 4,-0.5 1,-0.2 -1,-0.2 0.840 115.3 47.2 -52.3 -37.2 7.9 7.8 52.5 58 61 A S H >< S+ 0 0 12 -4,-0.9 3,-0.6 2,-0.2 4,-0.3 0.920 115.8 39.9 -72.4 -49.7 11.5 6.8 52.1 59 62 A L H >X S+ 0 0 5 -4,-2.9 4,-3.2 1,-0.2 3,-1.2 0.780 105.0 68.0 -71.9 -27.2 13.2 10.0 53.3 60 63 A A H 3X S+ 0 0 24 -4,-2.8 4,-0.9 -5,-0.3 -1,-0.2 0.809 83.0 79.6 -60.4 -28.3 10.6 10.4 56.0 61 64 A A H <4 S- 0 0 44 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.885 120.6 -2.9 -46.4 -45.3 12.3 7.3 57.4 62 65 A K H <4 S+ 0 0 11 -3,-1.2 -2,-0.2 -4,-0.3 -1,-0.2 0.538 132.8 53.8-128.6 -10.3 15.1 9.5 58.8 63 66 A W H >< S+ 0 0 17 -4,-3.2 3,-0.6 14,-0.1 -3,-0.2 0.564 72.5 111.9-108.7 -6.9 14.5 13.1 57.8 64 67 A K T 3< S+ 0 0 36 -4,-0.9 3,-0.1 -5,-0.4 147,-0.1 -0.098 75.7 31.0 -57.6 164.8 11.0 13.9 58.9 65 68 A G T 3 S+ 0 0 66 142,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.790 97.6 108.1 54.4 31.8 10.7 16.4 61.8 66 69 A K < - 0 0 79 -3,-0.6 2,-0.2 141,-0.0 -1,-0.2 -0.951 61.3-128.9-133.6 151.5 13.8 18.3 60.7 67 70 A S >> - 0 0 48 -2,-0.3 4,-2.3 -3,-0.1 3,-0.9 -0.699 26.8-100.4-108.6 162.0 14.0 21.8 59.1 68 71 A S H 3> S+ 0 0 32 1,-0.3 4,-3.5 -2,-0.2 5,-0.2 0.854 123.1 48.1 -32.5 -66.3 15.7 23.2 56.0 69 72 A E H 3> S+ 0 0 130 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.863 113.8 51.0 -45.1 -44.4 18.6 24.7 58.0 70 73 A E H <4 S+ 0 0 83 -3,-0.9 4,-0.3 2,-0.2 3,-0.3 0.906 116.3 36.3 -66.2 -47.0 19.0 21.4 59.7 71 74 A L H >< S+ 0 0 0 -4,-2.3 3,-2.0 1,-0.2 -2,-0.2 0.901 105.2 68.9 -73.9 -43.7 19.1 19.2 56.6 72 75 A L H 3< S+ 0 0 44 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.753 105.3 41.7 -46.6 -33.6 21.1 21.6 54.5 73 76 A E T 3< S+ 0 0 151 -4,-0.9 2,-0.7 -3,-0.3 -1,-0.3 0.530 97.7 92.6 -93.2 -8.5 24.2 21.0 56.6 74 77 A T < - 0 0 34 -3,-2.0 4,-0.4 -4,-0.3 -4,-0.0 -0.773 54.9-171.0 -89.1 117.4 23.5 17.3 56.8 75 78 A L S >> S+ 0 0 56 -2,-0.7 3,-2.3 2,-0.2 4,-1.9 0.919 81.0 61.5 -72.7 -45.9 25.3 15.4 54.1 76 79 A D H 3> S+ 0 0 9 1,-0.3 4,-2.2 2,-0.2 5,-0.3 0.919 93.8 65.5 -45.2 -52.7 23.7 12.0 54.6 77 80 A F H 3> S+ 0 0 0 1,-0.3 4,-1.0 2,-0.2 -1,-0.3 0.779 107.4 41.6 -42.1 -33.5 20.4 13.5 53.8 78 81 A Y H <> S+ 0 0 5 -3,-2.3 4,-3.0 -4,-0.4 5,-0.4 0.875 106.7 58.0 -85.3 -39.4 21.7 14.1 50.3 79 82 A R H X S+ 0 0 32 -4,-1.9 4,-1.7 1,-0.3 -2,-0.2 0.786 108.7 52.5 -58.9 -24.1 23.4 10.8 49.9 80 83 A D H < S+ 0 0 4 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.875 109.0 46.2 -79.0 -39.3 19.9 9.5 50.7 81 84 A I H >< S+ 0 0 0 -4,-1.0 3,-1.6 -5,-0.3 -2,-0.2 0.994 117.5 43.2 -65.9 -58.0 18.3 11.6 47.9 82 85 A I H 3< S+ 0 0 1 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.878 124.7 34.9 -54.4 -42.1 20.9 10.7 45.4 83 86 A S T 3< S+ 0 0 46 -4,-1.7 -1,-0.3 -5,-0.4 -2,-0.2 -0.091 86.9 143.6-107.1 38.5 20.9 7.0 46.3 84 87 A G < - 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