==== 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 1M2E . 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) . 7653.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 90 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 14.8 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 . 16 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 26.7 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 1 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 0 214 0, 0.0 3,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -31.0 19.9 1.2 11.5 2 2 A L + 0 0 109 1,-0.2 2,-0.7 3,-0.0 0, 0.0 0.908 360.0 152.2 -53.6 -40.3 16.9 2.9 9.9 3 3 A S - 0 0 101 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.167 66.8 -14.5 45.4 -93.2 19.1 4.1 7.1 4 4 A Q - 0 0 110 -2,-0.7 2,-0.5 -3,-0.3 25,-0.2 -0.891 67.1-118.6-133.7 165.7 16.4 4.3 4.5 5 5 A I E -a 29 0A 4 23,-5.1 25,-3.0 -2,-0.3 2,-0.6 -0.883 20.6-141.4-107.2 133.1 12.8 3.0 4.1 6 6 A A E +a 30 0A 12 -2,-0.5 46,-4.1 44,-0.4 47,-1.4 -0.798 24.9 175.1 -95.4 123.5 11.9 0.6 1.2 7 7 A I E -ab 31 53A 0 23,-2.5 25,-2.4 -2,-0.6 2,-0.6 -0.984 13.5-166.3-129.6 130.4 8.5 1.2 -0.3 8 8 A C E -ab 32 54A 0 45,-1.4 47,-1.9 -2,-0.4 2,-0.3 -0.939 10.0-167.6-117.9 116.1 7.0 -0.6 -3.4 9 9 A I E -ab 33 55A 0 23,-2.2 25,-1.8 -2,-0.6 2,-0.6 -0.770 11.6-149.0-102.6 149.4 4.0 0.9 -5.0 10 10 A W E +a 34 0A 5 45,-2.5 47,-0.4 -2,-0.3 2,-0.3 -0.923 37.3 139.3-116.7 111.3 1.7 -0.8 -7.6 11 11 A V - 0 0 5 23,-0.9 -2,-0.1 -2,-0.6 6,-0.1 -0.939 40.6-160.1-154.5 128.9 0.1 1.6 -10.1 12 12 A E S S+ 0 0 129 -2,-0.3 2,-0.6 1,-0.1 3,-0.1 0.580 81.2 77.3 -84.9 -7.4 -0.5 1.4 -13.8 13 13 A S > - 0 0 49 1,-0.2 4,-3.0 2,-0.0 5,-0.2 -0.885 68.0-155.7-105.5 118.9 -0.8 5.3 -14.0 14 14 A T H > S+ 0 0 93 -2,-0.6 4,-4.4 2,-0.2 5,-0.4 0.945 96.5 56.7 -58.0 -44.7 2.5 7.2 -13.9 15 15 A A H > S+ 0 0 52 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.960 111.5 42.7 -51.8 -49.8 0.7 10.3 -12.6 16 16 A I H > S+ 0 0 54 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.932 115.2 50.6 -62.4 -42.0 -0.6 8.2 -9.7 17 17 A L H X S+ 0 0 15 -4,-3.0 4,-2.7 2,-0.2 5,-0.3 0.953 114.1 43.6 -62.1 -46.5 2.8 6.6 -9.4 18 18 A Q H X S+ 0 0 84 -4,-4.4 4,-3.5 2,-0.2 -2,-0.2 0.927 114.8 49.8 -66.3 -41.0 4.5 10.0 -9.3 19 19 A D H X S+ 0 0 62 -4,-3.2 4,-1.9 -5,-0.4 5,-0.2 0.956 113.2 45.8 -63.3 -46.5 1.9 11.4 -6.9 20 20 A C H X S+ 0 0 0 -4,-3.1 4,-1.8 -5,-0.2 -2,-0.2 0.948 119.9 40.1 -62.3 -45.2 2.3 8.5 -4.6 21 21 A Q H < S+ 0 0 41 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.882 106.2 66.6 -72.0 -34.6 6.1 8.7 -4.7 22 22 A R H >< S+ 0 0 157 -4,-3.5 3,-0.5 -5,-0.3 -2,-0.2 0.961 106.0 41.4 -50.5 -52.9 5.9 12.5 -4.6 23 23 A A H 3< S+ 0 0 20 -4,-1.9 2,-1.9 1,-0.3 3,-0.5 0.970 116.1 51.4 -59.9 -49.3 4.6 12.4 -1.1 24 24 A L T 3< S+ 0 0 0 -4,-1.8 -1,-0.3 -5,-0.2 7,-0.1 -0.431 74.8 117.9 -85.4 66.1 7.0 9.6 -0.3 25 25 A S < + 0 0 77 -2,-1.9 4,-0.2 -3,-0.5 -1,-0.2 0.474 31.0 141.5-109.1 -5.0 10.1 11.5 -1.6 26 26 A A > - 0 0 37 -3,-0.5 3,-2.4 1,-0.2 -2,-0.0 0.040 68.3-112.3 -35.5 142.6 12.0 11.7 1.7 27 27 A D T 3 S+ 0 0 165 1,-0.3 -1,-0.2 -23,-0.0 -3,-0.0 0.691 119.5 56.5 -58.0 -13.2 15.7 11.3 1.1 28 28 A R T 3 S+ 0 0 83 -24,-0.1 -23,-5.1 2,-0.0 2,-0.5 0.153 85.0 105.1-104.7 20.4 15.3 8.0 3.0 29 29 A Y E < -a 5 0A 24 -3,-2.4 2,-0.7 -4,-0.2 -23,-0.2 -0.864 48.7-167.0-105.8 131.9 12.6 6.5 0.7 30 30 A Q E -a 6 0A 101 -25,-3.0 -23,-2.5 -2,-0.5 2,-0.4 -0.806 16.4-169.3-113.8 88.1 13.3 3.8 -1.8 31 31 A L E -a 7 0A 39 -2,-0.7 2,-0.5 -25,-0.2 -23,-0.2 -0.662 5.2-165.8 -84.1 129.8 10.2 3.7 -4.0 32 32 A Q E -a 8 0A 83 -25,-2.4 -23,-2.2 -2,-0.4 2,-0.5 -0.939 9.5-148.1-114.1 127.5 9.9 0.8 -6.5 33 33 A V E -a 9 0A 57 -2,-0.5 2,-0.6 -25,-0.2 -23,-0.2 -0.812 5.7-159.1 -99.3 131.1 7.3 1.1 -9.3 34 34 A C E -a 10 0A 5 -25,-1.8 -23,-0.9 -2,-0.5 6,-0.1 -0.906 8.7-158.7-109.6 115.5 5.5 -2.1 -10.5 35 35 A E S S+ 0 0 143 -2,-0.6 2,-0.2 -25,-0.1 -1,-0.1 0.852 82.3 21.1 -60.6 -31.4 3.9 -1.8 -14.0 36 36 A S S S- 0 0 50 -3,-0.1 4,-0.4 1,-0.1 -25,-0.1 -0.523 81.1-114.4-121.8-167.2 1.7 -4.8 -13.1 37 37 A G S > S+ 0 0 7 -2,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.720 115.5 53.4-101.9 -27.9 0.3 -6.4 -9.9 38 38 A E H > S+ 0 0 153 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.902 104.4 55.8 -71.8 -38.8 2.2 -9.7 -10.6 39 39 A M H > S+ 0 0 77 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.911 103.1 56.6 -60.1 -38.3 5.4 -7.8 -11.0 40 40 A L H > S+ 0 0 1 -4,-0.4 4,-2.3 1,-0.2 5,-0.3 0.926 103.4 53.5 -60.5 -42.4 4.8 -6.3 -7.5 41 41 A L H X S+ 0 0 9 -4,-1.4 4,-3.6 1,-0.2 -1,-0.2 0.931 105.2 53.9 -60.2 -43.1 4.6 -9.9 -6.0 42 42 A E H < S+ 0 0 131 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.909 108.7 50.1 -59.5 -38.7 8.0 -10.7 -7.5 43 43 A Y H >< S+ 0 0 36 -4,-1.8 3,-0.9 1,-0.2 -2,-0.2 0.958 118.1 37.0 -65.9 -47.8 9.5 -7.7 -5.8 44 44 A A H >X S+ 0 0 3 -4,-2.3 3,-2.4 1,-0.2 4,-1.7 0.857 100.2 77.8 -72.7 -32.8 8.0 -8.6 -2.4 45 45 A Q T 3< S+ 0 0 73 -4,-3.6 -1,-0.2 -5,-0.3 -2,-0.2 0.731 111.1 26.6 -50.1 -18.7 8.6 -12.3 -3.0 46 46 A T T <4 S+ 0 0 92 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.206 132.1 36.3-130.0 16.0 12.2 -11.6 -2.1 47 47 A H T <> + 0 0 81 -3,-2.4 4,-3.7 2,-0.1 -2,-0.2 0.187 64.6 132.3-151.6 17.9 12.0 -8.5 0.1 48 48 A R T < S+ 0 0 107 -4,-1.7 -3,-0.1 1,-0.3 3,-0.1 0.925 91.7 33.3 -40.5 -55.2 8.8 -9.0 2.2 49 49 A D T 4 S+ 0 0 139 1,-0.2 -1,-0.3 -5,-0.2 -2,-0.1 0.858 117.0 57.5 -71.4 -33.4 10.7 -8.1 5.3 50 50 A Q T 4 S+ 0 0 110 -6,-0.2 -44,-0.4 -45,-0.0 2,-0.3 0.828 88.0 89.2 -68.1 -29.3 12.9 -5.7 3.3 51 51 A I < - 0 0 8 -4,-3.7 -44,-0.2 1,-0.2 3,-0.1 -0.508 55.2-172.9 -71.3 132.0 9.8 -3.7 2.2 52 52 A D S S+ 0 0 44 -46,-4.1 2,-0.2 1,-0.3 -45,-0.2 0.617 71.1 2.9-100.4 -14.0 9.0 -0.9 4.6 53 53 A C E -b 7 0A 0 -47,-1.4 -45,-1.4 24,-0.1 2,-0.4 -0.786 62.0-150.3-171.5 124.7 5.6 0.1 3.1 54 54 A L E -bc 8 79A 2 24,-0.9 26,-2.5 -2,-0.2 2,-0.5 -0.835 11.7-153.2-102.8 136.0 3.5 -1.1 0.1 55 55 A I E +bc 9 80A 0 -47,-1.9 -45,-2.5 -2,-0.4 2,-0.3 -0.882 17.6 177.5-107.5 134.3 1.3 1.3 -1.9 56 56 A L E - c 0 81A 0 24,-2.2 26,-1.5 -2,-0.5 2,-0.5 -0.933 23.8-142.1-133.2 158.8 -1.8 0.0 -3.7 57 57 A V E > - c 0 82A 7 -47,-0.4 3,-2.1 -2,-0.3 26,-0.2 -0.923 0.9-161.9-122.6 108.7 -4.6 1.5 -5.8 58 58 A A T 3 S+ 0 0 13 24,-1.8 6,-0.2 -2,-0.5 25,-0.2 0.769 82.6 85.8 -60.1 -20.4 -8.1 0.0 -5.3 59 59 A A T 3 S+ 0 0 81 23,-0.2 -1,-0.3 -3,-0.1 24,-0.1 0.754 73.5 94.2 -53.6 -19.3 -9.0 1.7 -8.6 60 60 A N S < S- 0 0 17 -3,-2.1 4,-0.3 1,-0.1 -4,-0.0 -0.413 74.7-138.8 -75.1 153.3 -7.5 -1.5 -10.1 61 61 A P S > S+ 0 0 104 0, 0.0 3,-0.7 0, 0.0 4,-0.2 0.985 98.4 23.3 -75.7 -72.9 -9.9 -4.4 -11.0 62 62 A S T >> S+ 0 0 68 1,-0.2 4,-2.1 2,-0.1 3,-1.0 0.431 90.8 113.0 -77.1 5.9 -8.0 -7.6 -9.9 63 63 A F H 3> S+ 0 0 0 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.913 73.5 56.1 -45.2 -45.0 -6.0 -5.5 -7.5 64 64 A R H <> S+ 0 0 116 -3,-0.7 4,-2.3 -4,-0.3 -1,-0.3 0.927 105.9 51.7 -55.5 -40.4 -7.7 -7.4 -4.6 65 65 A A H <> S+ 0 0 40 -3,-1.0 4,-1.8 -4,-0.2 -1,-0.2 0.939 109.2 49.2 -62.6 -43.9 -6.4 -10.6 -6.2 66 66 A V H X S+ 0 0 10 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.949 110.2 50.5 -62.3 -45.3 -2.9 -9.3 -6.3 67 67 A V H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 5,-0.2 0.922 106.3 55.9 -60.1 -40.1 -3.1 -8.2 -2.6 68 68 A Q H X S+ 0 0 89 -4,-2.3 4,-3.7 -5,-0.3 -1,-0.2 0.913 101.8 57.9 -60.4 -36.7 -4.3 -11.7 -1.7 69 69 A Q H X S+ 0 0 71 -4,-1.8 4,-3.2 2,-0.2 6,-0.3 0.947 104.3 50.8 -59.7 -44.0 -1.2 -13.1 -3.4 70 70 A L H X>S+ 0 0 2 -4,-1.7 5,-2.6 1,-0.2 4,-1.0 0.976 115.1 42.3 -57.7 -50.9 1.0 -11.0 -1.0 71 71 A C H <5S+ 0 0 9 -4,-2.1 3,-0.4 3,-0.2 -2,-0.2 0.913 113.3 54.7 -61.4 -40.0 -1.0 -12.3 2.0 72 72 A F H <5S+ 0 0 161 -4,-3.7 -2,-0.2 1,-0.3 -1,-0.2 0.954 109.6 44.7 -60.0 -49.2 -0.9 -15.8 0.4 73 73 A E H <5S- 0 0 41 -4,-3.2 -1,-0.3 -5,-0.2 -2,-0.2 0.677 121.7-110.7 -69.7 -13.3 2.9 -15.8 0.1 74 74 A G T <5 + 0 0 42 -4,-1.0 2,-1.2 -3,-0.4 -3,-0.2 0.541 69.1 148.4 94.9 7.3 3.0 -14.5 3.6 75 75 A V < + 0 0 1 -5,-2.6 2,-0.5 -6,-0.3 -1,-0.2 -0.612 18.3 169.8 -78.4 100.2 4.2 -11.1 2.5 76 76 A V + 0 0 30 -2,-1.2 55,-0.1 -3,-0.1 23,-0.0 -0.940 3.5 155.0-115.8 127.7 2.7 -8.7 5.0 77 77 A V - 0 0 3 -2,-0.5 2,-1.7 -23,-0.0 23,-0.2 -0.974 58.0 -81.2-145.5 162.2 3.8 -5.0 5.1 78 78 A P - 0 0 6 0, 0.0 -24,-0.9 0, 0.0 2,-0.5 -0.425 61.7-175.8 -64.2 88.9 2.5 -1.6 6.2 79 79 A A E -c 54 0A 0 -2,-1.7 25,-2.4 -26,-0.2 2,-0.5 -0.793 17.9-152.0 -97.2 132.5 0.4 -1.1 3.0 80 80 A I E -cd 55 104A 0 -26,-2.5 -24,-2.2 -2,-0.5 2,-0.4 -0.850 13.2-150.6-101.5 130.1 -1.5 2.1 2.3 81 81 A V E -cd 56 105A 1 23,-5.0 25,-4.0 -2,-0.5 2,-0.2 -0.826 8.3-162.5-104.9 140.7 -4.6 1.8 0.1 82 82 A V E +cd 57 106A 7 -26,-1.5 -24,-1.8 -2,-0.4 25,-0.2 -0.698 64.5 51.8-112.2 167.3 -5.9 4.5 -2.2 83 83 A G S S+ 0 0 22 23,-0.7 2,-0.4 1,-0.2 -1,-0.2 0.907 75.2 144.2 75.9 39.7 -9.3 5.0 -3.9 84 84 A D - 0 0 31 22,-0.7 24,-0.3 -3,-0.2 2,-0.3 -0.880 29.9-164.5-113.6 145.1 -11.3 4.5 -0.6 85 85 A R - 0 0 147 -2,-0.4 9,-0.1 2,-0.1 22,-0.0 -0.838 28.4-128.4-124.0 164.0 -14.5 6.3 0.4 86 86 A D + 0 0 150 -2,-0.3 2,-0.3 2,-0.0 -1,-0.0 0.210 60.6 137.6 -95.0 17.9 -16.4 6.8 3.6 87 87 A S - 0 0 69 1,-0.2 7,-0.2 2,-0.0 -2,-0.1 -0.472 42.0-161.0 -66.0 122.3 -19.6 5.6 2.1 88 88 A E + 0 0 187 -2,-0.3 -1,-0.2 5,-0.1 -2,-0.0 0.499 54.2 118.7 -82.8 -1.3 -21.3 3.3 4.6 89 89 A D > - 0 0 75 1,-0.1 3,-0.9 2,-0.0 -2,-0.0 -0.410 67.7-137.0 -67.2 141.2 -23.4 1.8 1.8 90 90 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.593 91.7 88.0 -73.9 -10.6 -22.9 -1.9 1.3 91 91 A D T 3 S+ 0 0 128 1,-0.3 -3,-0.0 2,-0.1 -2,-0.0 0.899 96.2 37.7 -56.7 -36.7 -22.9 -1.3 -2.5 92 92 A E S < S- 0 0 96 -3,-0.9 2,-3.4 -5,-0.1 -1,-0.3 -0.812 75.3-161.8-119.4 91.9 -19.1 -0.7 -2.2 93 93 A P + 0 0 77 0, 0.0 2,-2.1 0, 0.0 4,-0.1 -0.272 25.0 163.8 -68.6 61.1 -17.6 -3.1 0.3 94 94 A A + 0 0 52 -2,-3.4 2,-0.1 -7,-0.2 -9,-0.1 -0.436 22.6 138.1 -81.0 70.6 -14.5 -0.9 0.7 95 95 A K S > S- 0 0 141 -2,-2.1 3,-1.1 1,-0.0 0, 0.0 -0.369 75.5 -85.7-103.6-173.0 -13.2 -2.5 3.9 96 96 A E G > S+ 0 0 85 1,-0.3 3,-1.7 2,-0.1 7,-0.2 0.525 103.9 100.5 -72.2 -0.9 -9.7 -3.6 5.0 97 97 A Q G 3 + 0 0 96 1,-0.3 -1,-0.3 -4,-0.1 4,-0.1 0.665 61.7 79.2 -60.3 -11.2 -10.4 -6.9 3.2 98 98 A L G < S- 0 0 14 -3,-1.1 -1,-0.3 37,-0.1 2,-0.2 0.902 118.3 -22.4 -64.7 -36.1 -8.3 -5.4 0.4 99 99 A Y S < S- 0 0 1 -3,-1.7 35,-0.3 1,-0.3 36,-0.2 -0.583 103.1 -37.1-147.4-149.9 -5.2 -6.3 2.4 100 100 A H > - 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