==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 21-JUL-12 4G86 . COMPND 2 MOLECULE: CIRCADIAN CLOCK PROTEIN KAIA; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCOCCUS ELONGATUS; . AUTHOR R.PATTANAYEK,M.EGLI . 564 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27630.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 416 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 2.1 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 . 1 0.2 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 . 1 0.2 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 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 233 41.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 0 0 0 1 0 4 1 0 2 2 2 1 0 0 1 1 1 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 4 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 PARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 1 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 . 1 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 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 1 A V 0 0 200 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 6.7 -0.5 19.8 6.7 2 2 A L - 0 0 72 1,-0.1 2,-0.2 455,-0.0 455,-0.0 -0.268 360.0 -93.3 -63.3 146.8 -1.6 18.4 10.1 3 3 A S - 0 0 18 160,-0.3 -1,-0.1 1,-0.1 2,-0.1 -0.411 43.2-115.7 -64.2 129.6 -5.3 17.5 10.6 4 4 A Q - 0 0 104 -2,-0.2 2,-0.5 -3,-0.1 25,-0.2 -0.412 25.6-151.4 -66.6 139.1 -7.2 20.4 12.1 5 5 A I E -a 29 0A 0 23,-2.9 25,-2.8 -2,-0.1 2,-0.7 -0.967 5.7-142.5-118.1 123.4 -8.6 19.7 15.6 6 6 A A E -a 30 0A 20 -2,-0.5 47,-2.1 23,-0.2 46,-1.7 -0.741 20.8-172.0 -87.8 113.7 -11.8 21.4 16.8 7 7 A I E -ab 31 53A 3 23,-2.6 25,-2.5 -2,-0.7 2,-0.5 -0.905 10.2-167.3-108.5 130.5 -11.7 22.4 20.4 8 8 A C E -ab 32 54A 1 45,-2.6 47,-2.4 -2,-0.5 2,-0.6 -0.974 11.6-166.2-115.6 120.8 -14.6 23.8 22.4 9 9 A I E -ab 33 55A 0 23,-2.7 25,-2.7 -2,-0.5 2,-0.9 -0.908 14.9-161.6-114.8 115.8 -13.7 25.2 25.7 10 10 A W E +ab 34 56A 0 45,-2.6 47,-2.4 -2,-0.6 2,-0.3 -0.832 38.1 144.4 -93.3 103.5 -16.2 26.1 28.5 11 11 A V - 0 0 3 23,-1.5 -2,-0.1 -2,-0.9 45,-0.0 -0.992 34.3-178.7-142.1 138.5 -14.2 28.5 30.7 12 12 A E + 0 0 88 -2,-0.3 2,-0.4 24,-0.0 23,-0.1 -0.004 63.2 90.1-128.7 26.8 -15.2 31.6 32.7 13 13 A S > - 0 0 45 1,-0.1 4,-2.6 47,-0.0 5,-0.2 -0.994 63.4-150.4-126.7 126.9 -11.7 32.4 34.0 14 14 A T H > S+ 0 0 102 -2,-0.4 4,-2.4 2,-0.2 5,-0.2 0.894 99.5 52.1 -60.1 -42.0 -9.3 34.7 32.2 15 15 A A H > S+ 0 0 55 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.951 112.5 43.5 -59.2 -53.0 -6.3 32.9 33.6 16 16 A I H > S+ 0 0 18 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.923 113.6 50.8 -60.4 -48.4 -7.5 29.4 32.5 17 17 A L H X S+ 0 0 34 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.903 110.8 50.4 -55.5 -44.5 -8.5 30.7 29.1 18 18 A Q H X S+ 0 0 112 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.938 109.5 49.1 -60.4 -49.6 -5.1 32.3 28.6 19 19 A D H X S+ 0 0 78 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.929 113.1 48.7 -55.4 -45.3 -3.3 29.1 29.6 20 20 A C H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.918 111.4 48.1 -61.2 -46.7 -5.4 27.1 27.1 21 21 A Q H < S+ 0 0 91 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.881 113.4 48.7 -63.3 -39.0 -4.9 29.6 24.3 22 22 A R H >< S+ 0 0 183 -4,-2.6 3,-1.2 -5,-0.2 -2,-0.2 0.942 113.8 44.6 -65.5 -48.5 -1.1 29.6 24.9 23 23 A A H 3< S+ 0 0 21 -4,-2.6 3,-0.3 1,-0.3 -2,-0.2 0.815 121.3 38.8 -68.0 -31.9 -0.8 25.8 25.1 24 24 A L T 3< S+ 0 0 3 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 -0.142 78.4 123.2-109.0 36.9 -3.0 25.2 22.0 25 25 A S < + 0 0 89 -3,-1.2 -1,-0.2 3,-0.1 -2,-0.1 0.713 39.8 111.4 -73.6 -21.8 -1.6 28.2 20.0 26 26 A A S > S- 0 0 52 -3,-0.3 3,-1.3 -4,-0.1 -3,-0.0 -0.115 80.5-113.8 -54.9 151.8 -0.6 26.0 17.0 27 27 A D T 3 S+ 0 0 156 1,-0.3 -1,-0.1 3,-0.1 -3,-0.0 0.720 109.1 66.0 -64.9 -24.5 -2.5 26.5 13.8 28 28 A R T 3 S+ 0 0 21 -24,-0.1 -23,-2.9 2,-0.0 2,-0.6 0.774 85.6 83.0 -71.2 -24.3 -4.1 23.1 13.8 29 29 A Y E < -a 5 0A 16 -3,-1.3 2,-0.7 -25,-0.2 -23,-0.2 -0.714 64.4-163.5 -85.7 118.0 -6.1 23.8 16.9 30 30 A Q E -a 6 0A 91 -25,-2.8 -23,-2.6 -2,-0.6 2,-0.5 -0.888 14.1-153.4-104.2 109.6 -9.3 25.7 16.2 31 31 A L E -a 7 0A 56 -2,-0.7 2,-0.5 -25,-0.2 -23,-0.2 -0.712 17.1-175.8 -95.3 126.7 -10.6 27.2 19.4 32 32 A Q E -a 8 0A 62 -25,-2.5 -23,-2.7 -2,-0.5 2,-0.6 -0.984 16.6-153.1-114.3 120.7 -14.2 28.0 20.2 33 33 A V E -a 9 0A 22 -2,-0.5 2,-0.5 -25,-0.2 -23,-0.2 -0.847 8.9-168.3-102.5 122.6 -14.7 29.7 23.5 34 34 A C E -a 10 0A 0 -25,-2.7 -23,-1.5 -2,-0.6 -2,-0.0 -0.936 2.9-171.9-107.7 127.0 -18.0 29.4 25.4 35 35 A E + 0 0 131 -2,-0.5 2,-0.3 -25,-0.2 -1,-0.1 0.238 65.7 30.2-109.2 12.1 -18.3 31.8 28.3 36 36 A S S > S- 0 0 46 1,-0.1 4,-2.1 24,-0.0 5,-0.1 -0.979 78.7-110.9-159.9 162.6 -21.5 30.4 29.9 37 37 A G H > S+ 0 0 14 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.880 117.7 51.8 -63.7 -39.4 -23.4 27.2 30.4 38 38 A E H > S+ 0 0 165 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.960 110.1 46.9 -60.5 -54.5 -26.2 28.4 28.1 39 39 A M H > S+ 0 0 73 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.879 113.4 50.9 -56.3 -40.3 -23.8 29.3 25.3 40 40 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.934 110.3 47.5 -63.4 -48.8 -22.1 25.9 25.7 41 41 A L H X S+ 0 0 33 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.932 116.2 43.9 -61.2 -46.2 -25.3 24.0 25.5 42 42 A E H X S+ 0 0 132 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.925 115.9 45.9 -65.4 -46.6 -26.6 25.8 22.4 43 43 A Y H X S+ 0 0 37 -4,-2.6 4,-2.1 -5,-0.3 -2,-0.2 0.935 113.4 50.8 -61.1 -46.5 -23.3 25.7 20.6 44 44 A A H < S+ 0 0 0 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.868 112.9 46.5 -58.9 -38.9 -22.8 22.1 21.4 45 45 A Q H >< S+ 0 0 88 -4,-2.1 3,-0.8 -5,-0.2 -2,-0.2 0.919 117.3 40.5 -72.3 -42.7 -26.3 21.3 20.1 46 46 A T H 3< S+ 0 0 74 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.690 125.6 37.8 -79.3 -17.4 -26.0 23.3 16.9 47 47 A H T >< S+ 0 0 54 -4,-2.1 3,-1.9 -5,-0.2 -1,-0.2 -0.201 70.3 137.3-123.6 41.2 -22.4 22.1 16.3 48 48 A R T < S+ 0 0 70 -3,-0.8 3,-0.3 1,-0.3 -1,-0.1 0.722 79.4 43.0 -63.2 -20.5 -22.7 18.5 17.5 49 49 A D T 3 S+ 0 0 84 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.200 105.7 62.9-109.9 13.9 -20.6 17.3 14.6 50 50 A Q S < S+ 0 0 111 -3,-1.9 2,-0.5 -6,-0.1 -1,-0.2 0.087 81.1 91.5-123.8 20.2 -18.0 20.0 14.6 51 51 A I + 0 0 2 -3,-0.3 -44,-0.1 1,-0.1 3,-0.1 -0.966 37.9 170.1-120.2 116.7 -16.5 19.3 18.0 52 52 A D S S+ 0 0 7 -46,-1.7 2,-0.3 -2,-0.5 -45,-0.2 0.801 74.9 11.3 -90.9 -35.1 -13.5 17.0 18.3 53 53 A C E -b 7 0A 0 -47,-2.1 -45,-2.6 24,-0.1 2,-0.3 -0.982 62.6-151.7-148.6 134.2 -12.7 17.7 21.9 54 54 A L E -bc 8 79A 0 24,-2.7 26,-2.1 -2,-0.3 2,-0.4 -0.785 5.0-163.1 -96.2 145.8 -14.4 19.5 24.8 55 55 A I E -bc 9 80A 0 -47,-2.4 -45,-2.6 -2,-0.3 2,-0.5 -0.976 14.5-172.7-127.6 116.4 -12.5 21.2 27.6 56 56 A L E -bc 10 81A 0 24,-2.5 26,-3.5 -2,-0.4 2,-0.7 -0.936 21.9-138.9-118.0 124.0 -14.7 21.8 30.6 57 57 A V E > - c 0 82A 5 -47,-2.4 3,-1.6 -2,-0.5 26,-0.2 -0.718 13.5-153.0 -80.3 118.1 -13.8 23.8 33.7 58 58 A A T 3 S+ 0 0 1 24,-2.7 5,-0.2 -2,-0.7 -1,-0.2 0.700 89.2 61.9 -65.3 -21.3 -15.2 21.8 36.6 59 59 A A T 3 S+ 0 0 42 23,-0.4 -1,-0.3 27,-0.1 3,-0.1 0.590 77.8 121.0 -81.9 -11.5 -15.5 24.9 38.8 60 60 A N S X S- 0 0 13 -3,-1.6 3,-1.2 -50,-0.2 -24,-0.0 -0.142 77.4 -84.5 -56.6 146.7 -18.0 26.6 36.4 61 61 A P T 3 S- 0 0 83 0, 0.0 -1,-0.1 0, 0.0 -24,-0.1 -0.255 109.9 -0.4 -53.3 133.1 -21.5 27.6 37.7 62 62 A S T 3> S+ 0 0 92 -3,-0.1 4,-2.2 3,-0.1 5,-0.2 0.843 82.6 162.0 53.8 41.0 -24.1 24.8 37.5 63 63 A F H <> + 0 0 8 -3,-1.2 4,-2.5 1,-0.2 5,-0.2 0.913 68.6 46.7 -58.3 -50.3 -21.5 22.5 36.1 64 64 A R H > S+ 0 0 137 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.911 111.3 51.8 -60.0 -46.5 -23.3 19.2 36.8 65 65 A A H > S+ 0 0 53 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.917 111.0 48.9 -56.1 -46.5 -26.6 20.5 35.5 66 66 A V H X S+ 0 0 9 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.924 111.9 47.0 -60.6 -49.0 -24.9 21.6 32.3 67 67 A V H X S+ 0 0 3 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.916 111.2 52.0 -61.5 -43.8 -23.2 18.2 31.8 68 68 A Q H X S+ 0 0 90 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.900 110.8 48.3 -57.0 -42.2 -26.4 16.3 32.5 69 69 A Q H X S+ 0 0 77 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.876 106.0 57.9 -66.1 -36.6 -28.1 18.5 29.9 70 70 A L H <>S+ 0 0 0 -4,-2.2 5,-2.6 1,-0.2 -2,-0.2 0.911 110.8 43.5 -57.1 -43.7 -25.2 17.7 27.5 71 71 A C H ><5S+ 0 0 12 -4,-2.2 3,-2.0 3,-0.2 -2,-0.2 0.931 109.8 54.8 -67.9 -47.2 -26.1 14.1 27.9 72 72 A F H 3<5S+ 0 0 177 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.845 109.2 48.8 -55.6 -36.5 -29.8 14.5 27.6 73 73 A E T 3<5S- 0 0 41 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.297 120.2-109.4 -92.0 9.4 -29.4 16.3 24.3 74 74 A G T < 5 + 0 0 34 -3,-2.0 2,-1.0 1,-0.2 -3,-0.2 0.656 66.1 146.9 80.7 18.5 -27.1 13.5 23.0 75 75 A V < + 0 0 2 -5,-2.6 2,-0.5 -6,-0.2 -1,-0.2 -0.763 10.0 156.8 -93.8 100.1 -23.8 15.4 23.0 76 76 A V + 0 0 13 -2,-1.0 55,-0.1 -28,-0.1 3,-0.0 -0.901 13.3 146.8-126.5 100.8 -21.0 12.8 23.8 77 77 A V - 0 0 3 -2,-0.5 -24,-0.1 1,-0.1 -25,-0.1 -0.828 57.0 -72.2-129.1 164.1 -17.6 13.8 22.5 78 78 A P - 0 0 0 0, 0.0 -24,-2.7 0, 0.0 2,-0.3 -0.304 63.2-172.2 -55.4 144.2 -14.0 13.4 23.7 79 79 A A E -c 54 0A 0 23,-0.2 25,-2.2 42,-0.2 2,-0.5 -0.991 33.8-157.1-149.1 149.4 -13.4 15.6 26.8 80 80 A I E -cd 55 104A 0 -26,-2.1 -24,-2.5 -2,-0.3 2,-0.5 -0.993 19.1-153.1-121.9 120.6 -10.9 17.0 29.3 81 81 A V E -cd 56 105A 0 23,-3.1 25,-2.2 -2,-0.5 2,-0.5 -0.819 15.7-145.5 -90.8 130.1 -12.3 18.1 32.6 82 82 A V E -cd 57 106A 0 -26,-3.5 -24,-2.7 -2,-0.5 -23,-0.4 -0.852 50.7 -28.8-105.5 130.7 -10.2 20.8 34.2 83 83 A G S S- 0 0 4 23,-3.1 2,-0.2 -2,-0.5 9,-0.2 -0.137 87.4 -67.6 66.9-165.5 -9.7 21.2 37.9 84 84 A D - 0 0 25 6,-0.3 10,-0.1 9,-0.1 5,-0.1 -0.725 47.0 -95.6-117.2 171.7 -12.3 20.1 40.4 85 85 A R - 0 0 102 -2,-0.2 2,-0.5 1,-0.2 6,-0.1 0.546 44.3-146.8 -64.4 -6.2 -15.7 21.5 41.2 86 86 A D + 0 0 59 4,-0.8 3,-0.4 1,-0.2 -1,-0.2 0.240 65.9 121.8 62.2 -17.8 -14.1 23.5 44.0 87 87 A S S S+ 0 0 80 -2,-0.5 -1,-0.2 1,-0.2 2,-0.1 0.838 89.6 13.7 -43.8 -44.4 -17.4 23.0 45.9 88 88 A E S S- 0 0 173 2,-0.1 -1,-0.2 0, 0.0 -3,-0.1 -0.476 127.4 -58.3-171.7 107.0 -15.1 21.4 48.5 89 89 A D S S+ 0 0 134 -3,-0.4 2,-0.4 -2,-0.1 -2,-0.1 -0.752 85.0 70.2-155.9 47.7 -12.2 22.0 48.1 90 90 A P - 0 0 43 0, 0.0 -4,-0.8 0, 0.0 -6,-0.3 -0.964 35.2-154.1-120.0 157.1 -9.4 21.7 45.6 91 91 A D S S+ 0 0 74 -2,-0.4 17,-0.9 -8,-0.1 3,-0.1 -0.067 88.2 43.2-101.2 31.7 -8.8 23.5 42.2 92 92 A E S S+ 0 0 41 15,-0.2 2,-0.8 -9,-0.2 -9,-0.4 0.540 94.0 49.5-135.7 -69.9 -6.7 20.6 40.9 93 93 A P - 0 0 85 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 -0.734 55.1-158.0-104.8 111.5 -7.4 16.9 41.2 94 94 A A - 0 0 4 -2,-0.8 -10,-0.1 -11,-0.2 11,-0.1 -0.693 3.1-167.7 -84.6 126.4 -10.8 15.5 40.3 95 95 A K + 0 0 127 -2,-0.5 2,-0.3 2,-0.0 -1,-0.1 0.701 64.6 42.0 -88.6 -23.8 -11.4 12.1 41.9 96 96 A E S S- 0 0 125 2,-0.0 2,-0.3 0, 0.0 -2,-0.0 -0.870 80.4-110.4-127.3 157.5 -14.5 11.0 40.0 97 97 A Q + 0 0 78 -2,-0.3 4,-0.1 1,-0.1 -2,-0.0 -0.709 33.6 169.5 -86.8 138.8 -15.8 10.9 36.4 98 98 A L S S+ 0 0 28 -2,-0.3 37,-0.1 2,-0.2 -1,-0.1 0.429 71.3 30.9-131.6 -7.4 -18.7 13.3 35.8 99 99 A Y S S- 0 0 1 1,-0.4 35,-1.7 35,-0.1 36,-0.6 0.660 120.0 -31.2-118.1 -64.2 -19.2 13.4 32.0 100 100 A H B > -E 133 0B 0 33,-0.2 3,-1.3 34,-0.1 -1,-0.4 -0.968 55.8 -97.3-155.9 175.8 -18.2 10.1 30.5 101 101 A S T 3 S+ 0 0 29 31,-1.9 32,-0.1 -2,-0.3 -4,-0.0 0.537 116.1 52.3 -75.2 -8.3 -15.9 7.1 30.9 102 102 A A T 3 S+ 0 0 1 30,-0.1 -1,-0.3 2,-0.1 -23,-0.2 0.312 82.3 121.7-109.4 6.9 -13.3 8.3 28.4 103 103 A E < - 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