==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 30-JUN-06 2HJE . COMPND 2 MOLECULE: AUTOINDUCER 2 SENSOR KINASE/PHOSPHATASE LUXQ; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO HARVEYI; . AUTHOR M.B.NEIDITCH,R.C.KELLY,F.M.HUGHSON . 210 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10761.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 76.2 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 . 54 25.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 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 1.9 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 . 21 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 1 0 0 0 1 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 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 0 1 1 1 1 1 1 0 1 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 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 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 52 A S > 0 0 94 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 142.0 -9.1 5.7 -26.7 2 53 A K H > + 0 0 134 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.885 360.0 48.8 -68.2 -39.7 -9.8 7.5 -23.4 3 54 A Q H > S+ 0 0 145 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.840 108.8 53.7 -70.8 -32.8 -11.6 4.5 -21.9 4 55 A Q H > S+ 0 0 135 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.908 108.9 49.5 -64.9 -43.7 -8.8 2.2 -22.9 5 56 A T H X S+ 0 0 20 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.928 112.0 47.5 -61.2 -46.8 -6.3 4.4 -21.1 6 57 A S H X S+ 0 0 16 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.884 112.9 48.5 -61.7 -41.9 -8.5 4.5 -17.9 7 58 A A H X S+ 0 0 46 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.884 111.5 50.2 -66.3 -40.1 -8.9 0.7 -18.0 8 59 A L H X S+ 0 0 76 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.944 111.7 47.4 -61.9 -50.4 -5.2 0.2 -18.4 9 60 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.912 112.3 50.3 -56.2 -47.0 -4.4 2.5 -15.5 10 61 A H H X S+ 0 0 76 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.925 112.6 47.1 -58.9 -46.7 -6.9 0.8 -13.3 11 62 A N H X S+ 0 0 88 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.887 111.8 49.1 -64.1 -41.3 -5.5 -2.7 -14.2 12 63 A I H X S+ 0 0 12 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.949 112.4 48.8 -63.0 -47.8 -1.8 -1.6 -13.6 13 64 A F H X S+ 0 0 5 -4,-2.6 4,-1.4 1,-0.2 3,-0.4 0.943 113.6 45.9 -56.1 -52.1 -2.8 -0.1 -10.2 14 65 A D H X S+ 0 0 66 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.872 107.9 58.5 -60.0 -39.7 -4.7 -3.3 -9.2 15 66 A S H X S+ 0 0 68 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.840 101.4 54.5 -60.3 -38.1 -1.8 -5.5 -10.5 16 67 A H H X S+ 0 0 10 -4,-1.8 4,-1.9 -3,-0.4 -1,-0.2 0.938 112.6 42.6 -57.7 -50.3 0.6 -3.8 -8.1 17 68 A F H X S+ 0 0 8 -4,-1.4 4,-2.6 1,-0.2 -2,-0.2 0.877 112.2 54.1 -69.1 -37.2 -1.6 -4.6 -5.1 18 69 A A H X S+ 0 0 36 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.917 107.1 51.5 -57.1 -44.7 -2.3 -8.1 -6.4 19 70 A A H X S+ 0 0 24 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.915 112.3 45.5 -63.1 -44.2 1.4 -8.8 -6.6 20 71 A I H X S+ 0 0 1 -4,-1.9 4,-3.2 2,-0.2 -1,-0.2 0.917 111.0 53.4 -62.9 -43.2 2.0 -7.6 -3.0 21 72 A Q H X S+ 0 0 53 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.888 105.2 53.2 -63.5 -40.0 -1.1 -9.6 -1.8 22 73 A I H X S+ 0 0 111 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.950 113.4 44.9 -54.6 -49.3 0.3 -12.8 -3.4 23 74 A H H X S+ 0 0 44 -4,-1.8 4,-2.9 2,-0.2 5,-0.3 0.928 113.0 50.4 -57.0 -52.4 3.6 -12.2 -1.4 24 75 A H H X S+ 0 0 3 -4,-3.2 4,-1.8 1,-0.2 -2,-0.2 0.909 111.2 48.1 -54.6 -46.5 1.7 -11.3 1.8 25 76 A D H < S+ 0 0 51 -4,-2.8 4,-0.3 2,-0.2 -1,-0.2 0.894 115.4 45.0 -61.9 -43.8 -0.5 -14.5 1.6 26 77 A S H >< S+ 0 0 76 -4,-2.0 3,-1.4 -5,-0.2 -2,-0.2 0.927 113.2 48.4 -68.7 -47.5 2.6 -16.7 1.0 27 78 A N H >< S+ 0 0 14 -4,-2.9 3,-1.9 1,-0.3 6,-0.3 0.831 101.7 64.7 -61.7 -35.7 4.8 -15.1 3.7 28 79 A S T 3< S+ 0 0 10 -4,-1.8 96,-0.3 -5,-0.3 -1,-0.3 0.624 96.3 57.7 -70.6 -7.7 2.1 -15.4 6.3 29 80 A K T < S+ 0 0 166 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.412 82.9 120.7 -94.6 -1.4 2.3 -19.2 6.0 30 81 A S <> - 0 0 25 -3,-1.9 4,-1.9 1,-0.1 3,-0.4 -0.385 66.1-139.3 -69.6 137.2 6.0 -19.2 7.0 31 82 A E H > S+ 0 0 114 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.788 102.5 68.2 -59.9 -26.0 7.1 -21.1 10.0 32 83 A V H > S+ 0 0 45 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.932 104.1 40.7 -61.0 -44.9 9.4 -18.0 10.6 33 84 A I H > S+ 0 0 0 -3,-0.4 4,-1.1 -6,-0.3 3,-0.3 0.961 115.9 50.1 -67.4 -48.8 6.4 -15.8 11.4 34 85 A R H >X S+ 0 0 61 -4,-1.9 3,-0.8 1,-0.2 4,-0.6 0.922 111.3 48.8 -54.8 -47.6 4.6 -18.5 13.4 35 86 A D H >X S+ 0 0 64 -4,-3.1 4,-2.7 1,-0.2 3,-0.8 0.824 99.9 66.3 -65.4 -31.4 7.8 -19.2 15.5 36 87 A F H 3X S+ 0 0 9 -4,-1.6 4,-2.4 -3,-0.3 -1,-0.2 0.877 90.8 65.0 -55.5 -38.3 8.2 -15.5 16.2 37 88 A Y H << S+ 0 0 16 -4,-1.1 -1,-0.2 -3,-0.8 -2,-0.2 0.858 114.7 29.8 -55.5 -34.5 5.0 -15.5 18.2 38 89 A T H << S+ 0 0 108 -3,-0.8 -2,-0.2 -4,-0.6 -1,-0.2 0.886 132.3 29.6 -90.9 -41.5 6.6 -17.8 20.7 39 90 A D H < S- 0 0 130 -4,-2.7 -3,-0.2 2,-0.1 -2,-0.2 0.690 80.8-153.4-101.1 -18.6 10.3 -16.9 20.6 40 91 A R < + 0 0 109 -4,-2.4 2,-0.9 -5,-0.4 -4,-0.1 0.777 28.3 163.0 53.5 40.0 10.2 -13.2 19.6 41 92 A D > - 0 0 80 1,-0.2 4,-1.8 -6,-0.1 -1,-0.2 -0.784 16.1-174.0 -90.6 103.2 13.6 -12.9 17.9 42 93 A T H > S+ 0 0 63 -2,-0.9 4,-2.9 1,-0.2 5,-0.2 0.811 79.2 59.5 -69.6 -32.1 13.3 -9.7 15.9 43 94 A D H > S+ 0 0 123 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.904 107.3 47.1 -65.2 -39.9 16.7 -10.1 14.2 44 95 A V H > S+ 0 0 81 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.929 114.5 46.6 -65.1 -47.0 15.5 -13.4 12.7 45 96 A L H X S+ 0 0 1 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.927 113.1 47.9 -63.9 -45.1 12.2 -12.0 11.6 46 97 A N H X S+ 0 0 58 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.906 110.9 50.9 -62.5 -40.5 13.7 -8.8 10.0 47 98 A F H X S+ 0 0 145 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.871 107.6 54.8 -66.6 -38.8 16.4 -10.8 8.1 48 99 A F H X S+ 0 0 41 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.958 113.5 39.9 -54.1 -55.0 13.6 -13.1 6.7 49 100 A F H X S+ 0 0 8 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.902 111.4 58.3 -65.1 -40.1 11.7 -10.1 5.3 50 101 A L H X S+ 0 0 75 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.902 106.4 49.0 -53.4 -45.2 14.9 -8.4 4.2 51 102 A S H X S+ 0 0 58 -4,-2.1 4,-1.0 2,-0.2 -1,-0.2 0.935 113.7 45.0 -65.6 -46.7 15.8 -11.4 2.0 52 103 A I H >X S+ 0 0 31 -4,-1.7 4,-1.0 1,-0.2 3,-0.7 0.936 112.4 50.7 -60.5 -49.7 12.3 -11.6 0.3 53 104 A D H >< S+ 0 0 34 -4,-2.9 3,-0.6 1,-0.2 -1,-0.2 0.897 107.5 52.8 -60.3 -40.0 12.0 -7.9 -0.3 54 105 A Q H 3< S+ 0 0 130 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.754 104.9 57.0 -70.4 -21.7 15.4 -7.6 -2.0 55 106 A S H << S+ 0 0 92 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.760 127.1 15.3 -77.2 -29.2 14.5 -10.5 -4.3 56 107 A D S X< S+ 0 0 45 -4,-1.0 3,-1.5 -3,-0.6 -1,-0.2 -0.513 76.0 166.5-142.0 66.8 11.4 -8.6 -5.7 57 108 A P G > + 0 0 86 0, 0.0 3,-0.5 0, 0.0 -3,-0.1 0.738 68.3 59.8 -66.2 -25.9 11.9 -5.0 -4.6 58 109 A S G 3 S+ 0 0 71 1,-0.2 92,-0.1 88,-0.0 -5,-0.0 0.538 103.0 52.4 -82.5 -9.2 9.2 -3.4 -6.8 59 110 A H G < S+ 0 0 42 -3,-1.5 -1,-0.2 -6,-0.2 -36,-0.1 -0.474 87.4 113.6-119.0 58.0 6.3 -5.4 -5.3 60 111 A T < - 0 0 28 -3,-0.5 -40,-0.1 -37,-0.0 2,-0.1 -0.956 63.7-114.9-128.5 149.7 6.9 -4.7 -1.6 61 112 A P - 0 0 11 0, 0.0 78,-0.2 0, 0.0 3,-0.1 -0.378 21.1-125.1 -76.3 158.3 5.0 -2.8 1.1 62 113 A E S S- 0 0 34 76,-1.6 2,-0.3 1,-0.2 77,-0.2 0.836 90.1 -0.0 -69.8 -33.5 6.3 0.4 2.7 63 114 A F E -A 138 0A 0 75,-1.7 75,-2.8 15,-0.1 2,-0.3 -0.995 60.2-157.5-156.0 157.5 5.9 -1.2 6.1 64 115 A R E +A 137 0A 7 -2,-0.3 12,-2.0 73,-0.2 2,-0.3 -0.944 10.8 176.1-129.1 152.5 4.8 -4.3 8.0 65 116 A F E -AB 136 75A 0 71,-1.6 71,-2.8 -2,-0.3 2,-0.4 -0.983 15.6-143.6-152.5 161.6 3.6 -5.1 11.5 66 117 A L E -AB 135 74A 0 8,-2.7 7,-2.9 -2,-0.3 8,-1.3 -0.971 11.2-165.8-126.1 142.9 2.3 -8.1 13.5 67 118 A T E -AB 134 72A 11 67,-2.6 67,-0.8 -2,-0.4 5,-0.2 -0.895 5.8-161.2-121.5 153.0 -0.3 -8.3 16.2 68 119 A D - 0 0 29 3,-2.3 66,-0.2 -2,-0.3 65,-0.2 -0.261 58.6 -68.4-102.6-154.8 -1.2 -11.0 18.7 69 120 A H S S+ 0 0 150 63,-0.3 64,-0.1 1,-0.2 3,-0.1 0.674 132.4 37.5 -73.2 -16.0 -4.6 -11.1 20.5 70 121 A K S S- 0 0 185 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.719 120.4 -57.1-107.8 -30.2 -3.8 -7.9 22.5 71 122 A G S S- 0 0 30 22,-0.0 -3,-2.3 0, 0.0 -1,-0.3 -0.985 80.4 -21.6 171.8-167.7 -1.9 -5.5 20.3 72 123 A I E +B 67 0A 52 -2,-0.3 -5,-0.3 -5,-0.2 3,-0.1 -0.476 41.1 175.5 -72.7 131.9 1.2 -5.0 18.2 73 124 A I E + 0 0 31 -7,-2.9 2,-0.3 1,-0.4 -6,-0.2 0.550 66.6 4.0-109.3 -13.3 4.1 -7.3 18.9 74 125 A W E -B 66 0A 15 -8,-1.3 -8,-2.7 -32,-0.0 -1,-0.4 -0.938 52.0-177.5-165.4 144.9 6.5 -6.2 16.2 75 126 A D E -B 65 0A 34 -2,-0.3 -10,-0.2 -10,-0.2 -12,-0.0 -0.964 35.4-120.5-140.2 163.0 6.9 -3.7 13.4 76 127 A D - 0 0 31 -12,-2.0 -11,-0.1 -2,-0.3 0, 0.0 0.348 45.3-116.0 -84.7 5.7 9.7 -3.3 10.8 77 128 A G S > S+ 0 0 27 -13,-0.2 3,-0.8 1,-0.1 4,-0.3 0.116 92.3 103.7 81.1 -15.0 10.7 0.2 11.9 78 129 A N G > + 0 0 71 1,-0.2 3,-1.3 2,-0.2 4,-0.2 0.745 62.4 71.2 -72.5 -23.8 9.7 1.7 8.5 79 130 A A G > >S+ 0 0 0 1,-0.3 3,-2.0 -15,-0.2 5,-1.6 0.832 88.3 64.9 -59.1 -34.0 6.3 3.2 9.7 80 131 A H G X 5S+ 0 0 94 -3,-0.8 3,-1.4 1,-0.3 -1,-0.3 0.760 88.1 68.0 -63.2 -26.2 8.2 5.8 11.6 81 132 A F G < 5S+ 0 0 157 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.613 101.3 49.4 -64.9 -13.9 9.6 7.2 8.3 82 133 A Y G < 5S- 0 0 64 -3,-2.0 29,-0.3 -4,-0.2 -1,-0.3 0.065 127.3 -94.7-114.7 19.0 6.0 8.3 7.5 83 134 A G T < 5S+ 0 0 10 -3,-1.4 27,-2.1 1,-0.3 2,-0.5 0.651 79.9 141.5 77.9 18.6 5.2 10.1 10.8 84 135 A V < - 0 0 3 -5,-1.6 -1,-0.3 25,-0.2 -2,-0.2 -0.833 27.6-174.3 -99.1 121.5 3.6 7.0 12.3 85 136 A N > - 0 0 81 -2,-0.5 4,-2.3 -3,-0.1 5,-0.2 -0.370 44.6 -85.8-101.0-176.0 4.3 6.4 16.0 86 137 A D H > S+ 0 0 109 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.881 126.6 52.3 -60.4 -38.8 3.3 3.4 18.2 87 138 A L H > S+ 0 0 125 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.881 111.0 46.8 -67.0 -39.8 -0.1 4.9 19.0 88 139 A I H > S+ 0 0 27 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.882 109.0 54.3 -69.3 -37.8 -0.9 5.4 15.4 89 140 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.932 107.2 53.1 -58.0 -45.1 0.2 1.8 14.5 90 141 A D H X S+ 0 0 77 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.916 108.5 49.1 -52.6 -47.6 -2.2 0.6 17.2 91 142 A S H X S+ 0 0 38 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.900 107.6 54.3 -66.0 -39.5 -5.0 2.6 15.5 92 143 A L H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.912 106.1 52.1 -57.7 -45.5 -4.2 1.2 12.1 93 144 A A H < S+ 0 0 14 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.898 112.3 46.1 -59.2 -40.2 -4.5 -2.4 13.4 94 145 A N H < S+ 0 0 115 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.802 109.3 55.0 -72.4 -31.1 -7.9 -1.5 14.9 95 146 A R H < S+ 0 0 129 -4,-2.1 2,-1.1 1,-0.2 -1,-0.2 0.740 99.9 61.4 -71.6 -30.5 -9.1 0.2 11.6 96 147 A V < + 0 0 0 -4,-1.6 -1,-0.2 -5,-0.2 23,-0.0 -0.741 66.0 156.3-100.1 82.2 -8.3 -2.9 9.5 97 148 A S + 0 0 62 -2,-1.1 2,-0.3 -3,-0.1 -1,-0.2 0.453 52.0 57.5 -93.4 -5.9 -10.7 -5.1 11.3 98 149 A F S S- 0 0 143 -3,-0.1 22,-0.4 3,-0.1 3,-0.4 -0.976 76.8-123.8-129.7 149.8 -11.2 -7.7 8.6 99 150 A S S S+ 0 0 25 -2,-0.3 22,-0.2 1,-0.2 -2,-0.1 -0.317 71.7 27.7 -89.9 162.9 -8.8 -9.9 6.7 100 151 A N S S+ 0 0 82 20,-2.8 2,-0.3 1,-0.1 -1,-0.2 0.532 95.3 83.6 77.0 17.4 -7.8 -10.7 3.1 101 152 A N S S- 0 0 73 -3,-0.4 19,-0.4 19,-0.3 2,-0.3 -0.999 75.7-108.2-150.9 151.4 -8.6 -7.3 1.4 102 153 A W - 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