==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CIRCADIAN CLOCK PROTEIN 23-JUN-02 1M2F . COMPND 2 MOLECULE: KAIA; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCOCCUS ELONGATUS; . AUTHOR S.B.WILLIAMS,I.VAKONAKIS,S.S.GOLDEN,A.C.LIWANG . 135 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7794.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 85 63.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 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 . 15 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 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 0 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 M 0 0 229 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-170.8 -0.2 11.5 18.9 2 2 A L - 0 0 103 1,-0.2 3,-0.1 3,-0.0 0, 0.0 -0.849 360.0-168.1-100.4 117.3 0.9 8.9 16.2 3 3 A S - 0 0 109 -2,-0.7 2,-0.3 1,-0.2 -1,-0.2 0.999 62.6 -38.1 -65.9 -69.0 2.7 5.9 17.7 4 4 A Q - 0 0 108 26,-0.0 2,-0.5 2,-0.0 -1,-0.2 -0.952 56.3-107.5-151.1 169.9 4.0 4.3 14.5 5 5 A I E -a 29 0A 3 23,-5.0 25,-3.2 -2,-0.3 2,-0.7 -0.881 24.7-140.3-107.2 132.7 3.1 3.7 10.8 6 6 A A E -a 30 0A 5 -2,-0.5 46,-3.5 44,-0.3 47,-2.2 -0.785 22.6-179.1 -93.2 118.1 2.2 0.2 9.6 7 7 A I E -ab 31 53A 0 23,-2.6 25,-2.9 -2,-0.7 2,-0.8 -0.948 11.3-164.7-119.9 121.1 3.6 -0.5 6.1 8 8 A C E -ab 32 54A 0 45,-1.3 47,-1.4 -2,-0.5 2,-0.3 -0.843 13.7-173.1-105.2 103.9 2.9 -3.8 4.4 9 9 A I E -ab 33 55A 0 23,-1.6 25,-2.0 -2,-0.8 2,-0.6 -0.726 12.8-157.1 -97.5 148.1 5.2 -4.4 1.5 10 10 A W E +ab 34 56A 5 45,-2.1 47,-0.6 -2,-0.3 2,-0.3 -0.918 35.3 133.7-123.2 107.4 5.0 -7.3 -1.0 11 11 A V - 0 0 7 23,-0.6 -2,-0.1 -2,-0.6 25,-0.0 -0.946 41.6-157.5-155.3 129.5 8.3 -8.1 -2.8 12 12 A E S S+ 0 0 138 -2,-0.3 2,-0.5 21,-0.0 23,-0.1 0.362 76.7 83.0 -90.6 9.0 10.0 -11.4 -3.5 13 13 A S > - 0 0 54 1,-0.2 4,-3.0 2,-0.0 5,-0.2 -0.939 67.6-150.9-115.2 126.5 13.4 -9.7 -3.9 14 14 A T H > S+ 0 0 91 -2,-0.5 4,-4.6 2,-0.2 5,-0.3 0.948 97.7 53.0 -60.3 -47.5 15.6 -8.8 -0.9 15 15 A A H > S+ 0 0 55 2,-0.2 4,-3.9 1,-0.2 5,-0.4 0.969 114.2 41.7 -54.0 -52.9 17.2 -5.8 -2.6 16 16 A I H > S+ 0 0 53 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.955 117.9 47.7 -60.2 -45.7 13.8 -4.3 -3.5 17 17 A L H X S+ 0 0 22 -4,-3.0 4,-2.0 2,-0.2 5,-0.3 0.933 116.8 43.9 -60.9 -43.4 12.5 -5.3 -0.0 18 18 A Q H X S+ 0 0 99 -4,-4.6 4,-4.0 -5,-0.2 -2,-0.2 0.954 117.3 43.3 -69.1 -48.1 15.6 -3.8 1.6 19 19 A D H X S+ 0 0 69 -4,-3.9 4,-1.8 -5,-0.3 5,-0.3 0.926 115.4 50.3 -65.4 -39.3 15.7 -0.6 -0.5 20 20 A C H X S+ 0 0 0 -4,-3.1 4,-1.0 -5,-0.4 -1,-0.2 0.908 121.5 33.9 -65.2 -38.5 11.9 -0.2 -0.2 21 21 A Q H < S+ 0 0 36 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.847 108.8 67.1 -85.3 -34.1 12.2 -0.6 3.6 22 22 A R H < S+ 0 0 148 -4,-4.0 3,-0.5 -5,-0.3 -3,-0.2 0.970 105.8 42.0 -49.6 -57.8 15.5 1.1 3.9 23 23 A A H < S+ 0 0 13 -4,-1.8 2,-1.8 1,-0.3 3,-0.5 0.947 114.1 55.9 -55.6 -43.6 14.0 4.4 2.9 24 24 A L S < S+ 0 0 0 -4,-1.0 -1,-0.3 -5,-0.3 7,-0.1 -0.428 73.2 114.4 -86.2 65.4 11.1 3.5 5.2 25 25 A S + 0 0 88 -2,-1.8 4,-0.2 -3,-0.5 -1,-0.2 0.474 32.8 141.1-111.8 -5.4 13.3 3.0 8.3 26 26 A A > - 0 0 28 -3,-0.5 3,-1.9 1,-0.2 -2,-0.0 0.060 68.4-111.0 -35.3 145.1 11.9 5.9 10.4 27 27 A D T 3 S+ 0 0 155 1,-0.3 -1,-0.2 -23,-0.0 -2,-0.0 0.697 118.9 56.8 -59.7 -14.4 11.7 4.9 14.1 28 28 A R T 3 S+ 0 0 104 -24,-0.1 -23,-5.0 2,-0.0 2,-0.4 0.071 84.8 107.1-105.2 26.6 7.9 5.0 13.6 29 29 A Y E < -a 5 0A 23 -3,-1.9 2,-0.6 -4,-0.2 -23,-0.2 -0.875 47.1-167.3-108.8 137.0 7.7 2.5 10.7 30 30 A Q E -a 6 0A 98 -25,-3.2 -23,-2.6 -2,-0.4 2,-0.4 -0.807 15.8-168.2-118.6 88.1 6.4 -1.0 11.0 31 31 A L E -a 7 0A 47 -2,-0.6 2,-0.5 -25,-0.2 -23,-0.2 -0.640 5.3-170.4 -82.2 129.7 7.4 -2.8 7.8 32 32 A Q E -a 8 0A 63 -25,-2.9 -23,-1.6 -2,-0.4 2,-0.4 -0.950 9.4-153.4-119.5 115.0 5.8 -6.2 7.1 33 33 A V E -a 9 0A 48 -2,-0.5 2,-0.6 -25,-0.2 -23,-0.2 -0.717 3.7-151.4 -91.0 136.0 7.2 -8.2 4.2 34 34 A C E -a 10 0A 2 -25,-2.0 -23,-0.6 -2,-0.4 6,-0.1 -0.895 7.4-157.7-108.1 116.3 5.0 -10.7 2.4 35 35 A E S S+ 0 0 146 -2,-0.6 2,-0.2 -25,-0.1 -1,-0.1 0.813 83.1 17.1 -60.5 -26.3 6.7 -13.6 0.8 36 36 A S S S- 0 0 40 -3,-0.1 4,-0.3 1,-0.1 -25,-0.1 -0.605 78.1-114.9-130.0-166.8 3.7 -14.0 -1.5 37 37 A G S > S+ 0 0 6 -2,-0.2 4,-1.1 2,-0.1 -1,-0.1 0.703 113.6 54.9-105.0 -27.9 0.7 -12.0 -2.7 38 38 A E H > S+ 0 0 147 1,-0.2 4,-1.7 2,-0.2 3,-0.4 0.915 103.7 56.1 -70.4 -39.9 -1.9 -14.2 -1.0 39 39 A M H > S+ 0 0 78 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.906 102.7 56.2 -59.4 -37.7 -0.1 -13.8 2.3 40 40 A L H > S+ 0 0 0 -4,-0.3 4,-2.7 1,-0.2 5,-0.3 0.872 101.5 58.2 -63.3 -33.4 -0.6 -10.0 1.9 41 41 A L H X S+ 0 0 19 -4,-1.1 4,-1.8 -3,-0.4 -1,-0.2 0.956 104.7 48.8 -63.1 -47.4 -4.3 -10.6 1.5 42 42 A E H < S+ 0 0 116 -4,-1.7 4,-0.4 2,-0.2 -1,-0.2 0.933 113.3 48.0 -59.4 -42.8 -4.6 -12.2 5.0 43 43 A Y H >< S+ 0 0 41 -4,-1.9 3,-0.9 1,-0.2 -2,-0.2 0.949 118.9 38.1 -64.4 -46.5 -2.6 -9.4 6.5 44 44 A A H 3X S+ 0 0 2 -4,-2.7 4,-0.5 1,-0.2 3,-0.3 0.654 108.1 68.1 -78.5 -13.1 -4.7 -6.7 4.8 45 45 A Q T 3< S+ 0 0 64 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.529 110.4 30.7 -83.3 -4.8 -7.9 -8.8 5.4 46 46 A T T <4 S+ 0 0 89 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.2 0.231 132.0 25.8-137.1 15.8 -7.8 -8.4 9.2 47 47 A H T > + 0 0 107 -3,-0.3 4,-1.5 -4,-0.2 3,-0.5 0.139 61.6 146.3-166.5 30.2 -6.2 -5.0 9.8 48 48 A R T >< S+ 0 0 104 -4,-0.5 3,-0.8 1,-0.3 -3,-0.1 0.912 84.5 46.2 -41.1 -51.2 -6.9 -2.8 6.7 49 49 A D T 34 S+ 0 0 132 1,-0.2 -1,-0.3 -5,-0.1 -2,-0.0 0.891 105.7 58.1 -63.1 -39.2 -7.1 0.2 9.0 50 50 A Q T 34 S+ 0 0 109 -3,-0.5 2,-0.5 -45,-0.1 -44,-0.3 0.759 89.7 90.4 -65.4 -18.6 -4.0 -0.7 11.0 51 51 A I << - 0 0 9 -4,-1.5 -44,-0.2 -3,-0.8 3,-0.1 -0.646 52.9-179.7 -80.2 124.8 -2.1 -0.6 7.6 52 52 A D + 0 0 37 -46,-3.5 2,-0.3 -2,-0.5 -45,-0.2 0.771 69.1 1.4 -95.5 -29.0 -0.7 3.0 7.1 53 53 A C E -b 7 0A 0 -47,-2.2 -45,-1.3 24,-0.1 2,-0.5 -0.913 62.7-147.5-159.6 130.0 1.0 2.4 3.7 54 54 A L E -bc 8 79A 1 24,-0.7 26,-2.0 -2,-0.3 2,-0.5 -0.841 10.3-151.4-103.6 135.7 1.3 -0.6 1.3 55 55 A I E +bc 9 80A 0 -47,-1.4 -45,-2.1 -2,-0.5 2,-0.4 -0.861 20.0 177.9-103.4 131.0 4.3 -1.1 -0.9 56 56 A L E -bc 10 81A 0 24,-2.4 26,-1.8 -2,-0.5 2,-0.6 -0.968 23.1-146.4-133.2 150.3 3.8 -3.0 -4.2 57 57 A V E > - c 0 82A 7 -47,-0.6 3,-1.5 -2,-0.4 26,-0.1 -0.933 0.8-163.2-116.0 113.8 6.1 -4.0 -7.1 58 58 A A T 3 S+ 0 0 23 24,-1.8 5,-0.2 -2,-0.6 6,-0.2 0.776 80.0 86.8 -66.9 -21.0 4.4 -4.0 -10.5 59 59 A A T 3 S+ 0 0 89 23,-0.5 -1,-0.3 -3,-0.1 24,-0.1 0.759 72.2 95.7 -51.1 -19.9 7.4 -6.1 -11.8 60 60 A N S < S- 0 0 25 -3,-1.5 4,-0.3 1,-0.1 -4,-0.0 -0.417 74.3-139.4 -74.3 151.5 5.3 -9.0 -10.5 61 61 A P S > S+ 0 0 105 0, 0.0 3,-0.5 0, 0.0 4,-0.2 0.979 99.5 23.4 -74.7 -63.7 3.1 -10.9 -13.0 62 62 A S T 3> S+ 0 0 69 1,-0.2 4,-2.0 2,-0.1 3,-0.4 0.307 90.4 113.4 -87.9 12.3 -0.1 -11.6 -11.0 63 63 A F H 3> S+ 0 0 0 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.928 74.5 54.2 -50.1 -46.1 0.7 -8.7 -8.7 64 64 A R H <> S+ 0 0 106 -3,-0.5 4,-3.1 -4,-0.3 -1,-0.3 0.923 104.1 56.3 -56.5 -39.9 -2.4 -6.8 -10.0 65 65 A A H > S+ 0 0 38 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.959 107.9 47.0 -57.2 -48.3 -4.5 -9.9 -9.1 66 66 A V H X S+ 0 0 13 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.941 113.3 48.7 -60.0 -43.9 -3.3 -9.7 -5.5 67 67 A V H X S+ 0 0 2 -4,-2.7 4,-2.5 1,-0.2 5,-0.4 0.899 102.5 62.6 -64.2 -36.9 -4.0 -5.9 -5.5 68 68 A Q H X S+ 0 0 88 -4,-3.1 4,-3.6 -5,-0.3 -1,-0.2 0.930 101.5 52.4 -56.4 -40.2 -7.5 -6.6 -7.0 69 69 A Q H X S+ 0 0 62 -4,-1.7 4,-3.4 2,-0.2 6,-0.4 0.971 105.3 53.4 -61.0 -49.5 -8.3 -8.6 -3.8 70 70 A L H X>S+ 0 0 2 -4,-1.7 5,-3.2 1,-0.3 4,-0.7 0.965 118.8 35.9 -49.0 -52.4 -7.2 -5.6 -1.6 71 71 A C H <5S+ 0 0 5 -4,-2.5 -1,-0.3 3,-0.2 -2,-0.2 0.864 113.3 61.7 -68.3 -32.8 -9.6 -3.5 -3.6 72 72 A F H <5S+ 0 0 152 -4,-3.6 -2,-0.2 -5,-0.4 -1,-0.2 0.940 110.8 37.1 -60.0 -46.1 -12.0 -6.5 -3.8 73 73 A E H <5S- 0 0 66 -4,-3.4 -1,-0.3 -5,-0.2 -2,-0.2 0.583 123.5-105.9 -82.9 -6.7 -12.5 -6.6 -0.1 74 74 A G T <5 + 0 0 37 -4,-0.7 2,-1.2 -5,-0.4 -3,-0.2 0.593 66.6 154.3 94.2 11.1 -12.4 -2.8 0.1 75 75 A V < + 0 0 2 -5,-3.2 2,-0.5 -6,-0.4 -1,-0.2 -0.577 16.0 171.2 -75.7 100.6 -8.8 -2.7 1.6 76 76 A V + 0 0 28 -2,-1.2 55,-0.0 -3,-0.1 57,-0.0 -0.935 3.7 152.6-115.6 128.5 -7.7 0.8 0.4 77 77 A V - 0 0 5 -2,-0.5 2,-2.0 -23,-0.0 23,-0.2 -0.975 59.5 -81.3-146.9 162.2 -4.4 2.3 1.6 78 78 A P - 0 0 7 0, 0.0 -24,-0.7 0, 0.0 2,-0.6 -0.418 59.8-175.3 -65.2 85.5 -1.8 4.8 0.5 79 79 A A E -c 54 0A 0 -2,-2.0 25,-1.5 -26,-0.2 2,-0.5 -0.782 16.3-150.1 -93.1 120.6 0.0 2.2 -1.6 80 80 A I E -cd 55 104A 0 -26,-2.0 -24,-2.4 -2,-0.6 2,-0.4 -0.734 14.4-151.2 -88.6 128.8 3.3 3.2 -3.2 81 81 A V E -cd 56 105A 4 23,-4.3 25,-2.9 -2,-0.5 2,-0.4 -0.803 2.7-151.3-103.7 143.3 3.9 1.4 -6.5 82 82 A V E +cd 57 106A 7 -26,-1.8 -24,-1.8 -2,-0.4 -23,-0.5 -0.911 63.4 53.9-113.5 137.3 7.4 0.7 -7.9 83 83 A G + 0 0 32 23,-1.5 2,-0.4 -2,-0.4 24,-0.1 0.751 57.1 159.0 108.9 75.6 8.2 0.3 -11.7 84 84 A D - 0 0 50 22,-0.2 24,-0.3 -3,-0.1 -1,-0.2 -0.986 39.2-119.3-131.9 130.4 7.1 3.3 -13.8 85 85 A R - 0 0 140 -2,-0.4 22,-0.0 7,-0.1 -2,-0.0 -0.259 13.3-145.3 -62.0 150.5 8.4 4.3 -17.2 86 86 A D + 0 0 127 2,-0.0 2,-0.4 21,-0.0 -1,-0.1 0.080 68.9 93.8-106.2 25.3 10.0 7.8 -17.4 87 87 A S S S- 0 0 67 5,-0.3 5,-0.1 2,-0.1 -2,-0.1 -0.917 71.7-137.6-119.0 144.1 8.8 8.5 -21.0 88 88 A E + 0 0 188 -2,-0.4 -1,-0.1 3,-0.0 -3,-0.0 0.473 56.2 142.8 -76.1 2.0 5.6 10.4 -22.0 89 89 A D - 0 0 75 1,-0.2 3,-0.4 3,-0.1 -2,-0.1 -0.152 52.8-140.0 -45.6 133.3 5.1 7.8 -24.8 90 90 A P S S+ 0 0 104 0, 0.0 -1,-0.2 0, 0.0 4,-0.0 0.721 95.3 70.9 -70.8 -22.3 1.4 7.1 -25.1 91 91 A D S S+ 0 0 126 1,-0.3 -2,-0.1 2,-0.1 3,-0.1 0.932 117.4 15.8 -63.1 -42.7 2.1 3.3 -25.5 92 92 A E + 0 0 110 -3,-0.4 -1,-0.3 1,-0.1 -5,-0.3 -0.546 69.4 153.3-132.6 71.6 3.1 2.9 -21.9 93 93 A P - 0 0 73 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.280 68.4-102.9 -80.6 11.6 1.9 6.0 -19.9 94 94 A A - 0 0 40 -3,-0.1 -2,-0.1 -4,-0.0 -10,-0.0 0.943 38.7-131.3 65.7 89.0 1.7 3.8 -16.7 95 95 A K - 0 0 135 1,-0.1 3,-0.5 2,-0.0 -1,-0.0 -0.300 5.7-130.8 -69.0 156.8 -2.0 3.0 -16.2 96 96 A E S S+ 0 0 118 1,-0.2 3,-0.3 2,-0.1 7,-0.1 -0.044 82.3 99.5 -99.3 34.0 -3.4 3.6 -12.7 97 97 A Q + 0 0 109 1,-0.2 -1,-0.2 4,-0.0 4,-0.1 0.483 52.6 91.0 -97.2 -0.4 -5.1 0.2 -12.4 98 98 A L S S- 0 0 23 -3,-0.5 2,-0.2 2,-0.1 -1,-0.2 0.886 113.2 -34.9 -60.4 -33.2 -2.3 -1.3 -10.3 99 99 A Y S S- 0 0 8 -3,-0.3 35,-0.1 1,-0.2 2,-0.1 -0.580 96.4 -36.6-156.5-139.6 -4.3 -0.2 -7.3 100 100 A H > - 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