==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 12-JUL-05 2A9Q . COMPND 2 MOLECULE: RESPONSE REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR A.RIBOLDI-TUNNICLIFFE,N.W.ISAACS,T.J.MITCHELL . 112 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6533.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 83 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 18.8 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 . 5 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 42.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.8 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 0 1 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 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 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 2 A K 0 0 155 0, 0.0 25,-2.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 152.2 25.4 30.9 -3.3 2 3 A K E -a 26 0A 32 23,-0.2 44,-1.7 42,-0.1 45,-1.6 -0.900 360.0-167.4-112.1 125.6 23.8 29.8 0.1 3 4 A I E -ab 27 47A 0 23,-2.6 25,-3.1 -2,-0.4 2,-0.6 -0.823 10.4-155.2-108.4 141.9 20.5 30.8 1.7 4 5 A L E -ab 28 48A 1 43,-1.4 45,-1.3 -2,-0.4 2,-0.7 -0.867 12.5-161.5-116.7 96.0 19.3 30.2 5.2 5 6 A I E -ab 29 49A 0 23,-2.3 25,-2.4 -2,-0.6 2,-0.8 -0.695 3.4-167.5 -79.4 112.3 15.6 30.1 5.3 6 7 A V E +ab 30 50A 11 43,-2.0 45,-5.4 -2,-0.7 2,-0.3 -0.893 30.9 139.7-107.0 102.3 14.4 30.6 8.9 7 8 A D E - b 0 51A 1 23,-2.1 45,-0.1 -2,-0.8 25,-0.1 -0.986 42.1-159.7-152.8 137.0 10.8 29.8 8.9 8 9 A D S S+ 0 0 80 43,-0.6 2,-0.4 -2,-0.3 23,-0.1 -0.082 75.7 80.5-116.6 19.4 8.8 27.9 11.4 9 10 A E > - 0 0 63 1,-0.2 4,-2.7 42,-0.0 5,-0.2 -0.946 66.8-155.5-129.3 108.5 6.0 27.0 9.1 10 11 A K H > S+ 0 0 112 -2,-0.4 4,-4.0 1,-0.2 5,-0.3 0.944 90.5 55.6 -48.5 -57.1 6.9 24.0 6.9 11 12 A P H > S+ 0 0 86 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.870 114.5 39.2 -43.4 -55.8 4.5 24.8 4.1 12 13 A I H > S+ 0 0 46 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.863 115.1 52.2 -65.2 -39.2 6.0 28.3 3.6 13 14 A S H X S+ 0 0 1 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.885 108.9 54.2 -64.8 -36.2 9.5 27.0 4.2 14 15 A D H X S+ 0 0 69 -4,-4.0 4,-2.3 -5,-0.2 -2,-0.2 0.892 107.6 48.1 -56.0 -47.7 8.6 24.4 1.5 15 16 A I H X S+ 0 0 68 -4,-1.8 4,-2.4 -5,-0.3 5,-0.2 0.966 116.2 42.4 -64.3 -51.2 7.6 27.1 -1.1 16 17 A I H X S+ 0 0 1 -4,-2.3 4,-3.1 1,-0.2 5,-0.3 0.971 116.7 47.6 -58.8 -54.8 10.7 29.2 -0.5 17 18 A K H X S+ 0 0 86 -4,-2.7 4,-1.0 -5,-0.2 -1,-0.2 0.874 113.1 49.1 -53.8 -41.5 13.1 26.2 -0.5 18 19 A F H X S+ 0 0 128 -4,-2.3 4,-1.6 -5,-0.2 3,-0.4 0.983 118.2 40.5 -60.8 -54.2 11.4 24.7 -3.6 19 20 A N H X S+ 0 0 30 -4,-2.4 4,-2.2 1,-0.2 3,-0.3 0.928 111.4 51.6 -56.8 -60.5 11.7 28.0 -5.4 20 21 A M H <>S+ 0 0 3 -4,-3.1 5,-2.9 1,-0.2 -1,-0.2 0.729 110.6 53.1 -53.9 -22.2 15.1 29.2 -4.3 21 22 A T H ><5S+ 0 0 75 -4,-1.0 3,-1.1 -3,-0.4 -1,-0.2 0.864 103.4 53.5 -84.5 -38.0 16.5 25.7 -5.4 22 23 A K H 3<5S+ 0 0 148 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.1 0.949 107.2 53.5 -56.7 -46.9 15.0 25.9 -9.0 23 24 A E T 3<5S- 0 0 78 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.592 128.3-107.1 -68.0 -7.4 16.9 29.2 -9.2 24 25 A G T < 5 + 0 0 57 -3,-1.1 -3,-0.2 1,-0.3 2,-0.2 0.672 69.0 140.2 95.7 21.5 20.0 27.3 -8.1 25 26 A Y < - 0 0 31 -5,-2.9 2,-0.3 -6,-0.1 -1,-0.3 -0.629 53.7-118.9 -89.3 153.1 20.7 28.3 -4.6 26 27 A E E -a 2 0A 120 -25,-2.3 -23,-2.6 -2,-0.2 2,-0.5 -0.676 35.1-151.2 -71.3 141.3 21.8 26.0 -1.7 27 28 A V E -a 3 0A 34 -2,-0.3 2,-0.4 -25,-0.2 -23,-0.2 -0.978 19.2-175.3-125.0 124.2 19.2 26.1 1.0 28 29 A V E -a 4 0A 13 -25,-3.1 -23,-2.3 -2,-0.5 2,-0.5 -0.955 17.8-153.4 -99.6 136.5 19.6 25.6 4.7 29 30 A T E -a 5 0A 47 -2,-0.4 2,-0.3 -25,-0.2 -23,-0.2 -0.925 14.0-179.1-110.0 130.5 16.4 25.5 6.7 30 31 A A E -a 6 0A 0 -25,-2.4 -23,-2.1 -2,-0.5 3,-0.1 -0.937 10.7-166.3-116.4 151.4 16.0 26.5 10.4 31 32 A F S S+ 0 0 72 -2,-0.3 2,-0.3 1,-0.2 -25,-0.1 0.430 70.7 19.6-118.0 2.9 12.7 26.3 12.3 32 33 A N S > S- 0 0 64 -25,-0.1 4,-2.6 22,-0.0 -1,-0.2 -0.940 88.9 -94.7-162.9 166.1 13.3 28.3 15.5 33 34 A G H > S+ 0 0 29 -2,-0.3 4,-1.1 1,-0.2 5,-0.0 0.516 121.2 55.9 -76.2 -8.3 15.9 30.9 16.6 34 35 A R H > S+ 0 0 165 2,-0.2 4,-1.8 3,-0.1 -1,-0.2 0.860 110.2 46.4 -81.6 -44.6 18.2 28.4 18.2 35 36 A E H >> S+ 0 0 67 2,-0.2 4,-3.5 1,-0.2 3,-0.8 0.990 111.6 52.2 -54.4 -61.2 18.3 26.5 14.9 36 37 A A H 3X S+ 0 0 1 -4,-2.6 4,-3.0 1,-0.3 5,-0.2 0.884 112.8 44.3 -38.0 -54.7 18.9 29.9 13.0 37 38 A L H 3X S+ 0 0 55 -4,-1.1 4,-1.5 2,-0.2 -1,-0.3 0.832 116.6 47.0 -61.3 -34.0 21.8 30.8 15.3 38 39 A E H > 0 0 144 0, 0.0 3,-2.2 0, 0.0 4,-0.7 0.000 360.0 360.0 360.0 97.6 11.1 36.1 18.4 55 60 A G H 3> + 0 0 11 1,-0.3 4,-1.5 2,-0.2 5,-0.1 0.413 360.0 76.0 -43.4 -12.2 13.3 36.9 15.2 56 61 A L H 3> S+ 0 0 44 2,-0.2 4,-2.3 3,-0.1 -1,-0.3 0.836 98.7 44.9 -66.8 -37.6 14.3 40.4 16.3 57 62 A E H <> S+ 0 0 110 -3,-2.2 4,-4.3 2,-0.2 5,-0.3 0.948 109.3 55.7 -72.0 -48.5 16.9 38.8 18.9 58 63 A V H X S+ 0 0 13 -4,-0.7 4,-2.2 2,-0.2 -2,-0.2 0.900 112.8 44.3 -39.5 -53.5 18.1 36.3 16.2 59 64 A A H X S+ 0 0 0 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.973 114.8 46.1 -59.5 -59.5 18.8 39.4 14.0 60 65 A K H X S+ 0 0 82 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.887 115.4 47.1 -55.6 -38.8 20.4 41.5 16.7 61 66 A T H >< S+ 0 0 44 -4,-4.3 3,-0.5 1,-0.2 -1,-0.2 0.876 110.1 52.2 -77.9 -26.2 22.5 38.5 17.8 62 67 A I H >X S+ 0 0 0 -4,-2.2 3,-1.8 -5,-0.3 4,-0.9 0.964 106.0 58.4 -61.8 -46.7 23.5 37.7 14.2 63 68 A R H 3< S+ 0 0 72 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.533 89.8 67.6 -64.9 -18.7 24.6 41.4 13.9 64 69 A K T << S+ 0 0 157 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.1 0.552 118.0 24.3 -72.5 -7.7 27.1 41.4 16.7 65 70 A T T <4 S+ 0 0 99 -3,-1.8 2,-0.3 1,-0.4 -2,-0.2 0.515 125.1 21.4-135.5 -17.3 29.3 39.0 14.6 66 71 A S < - 0 0 38 -4,-0.9 -1,-0.4 2,-0.1 0, 0.0 -0.989 47.5-143.9-156.5 150.7 28.5 39.4 10.9 67 72 A S + 0 0 101 -2,-0.3 3,-0.1 -3,-0.1 -4,-0.1 0.277 49.5 147.9 -99.1 8.1 27.0 41.8 8.4 68 73 A V - 0 0 14 1,-0.1 2,-0.2 -6,-0.1 -21,-0.1 -0.080 59.7 -96.6 -37.3 133.3 25.4 38.9 6.3 69 74 A P - 0 0 26 0, 0.0 -21,-2.5 0, 0.0 2,-0.3 -0.425 37.2-163.7 -62.9 128.5 22.2 40.3 4.7 70 75 A I E -c 48 0A 0 19,-0.3 21,-1.7 -2,-0.2 2,-0.4 -0.865 1.7-168.1-103.5 146.6 18.8 39.5 6.6 71 76 A L E -c 49 0A 0 -23,-1.9 -21,-1.3 -2,-0.3 22,-0.2 -0.928 17.6-141.5-134.6 109.5 15.6 40.0 4.6 72 77 A M E -cd 50 93A 2 20,-2.5 22,-2.6 -2,-0.4 2,-0.4 -0.516 14.9-168.4 -82.7 134.6 12.5 39.9 6.9 73 78 A L E +cd 51 94A 0 -23,-2.4 -21,-0.9 -2,-0.2 2,-0.3 -0.907 17.2 163.4-108.4 146.7 9.3 38.2 5.8 74 79 A S E - d 0 95A 2 20,-0.9 22,-2.7 -2,-0.4 -23,-0.0 -0.949 46.7-137.9-163.7 146.4 6.2 38.7 7.9 75 80 A A S S+ 0 0 67 -2,-0.3 2,-0.4 20,-0.2 -1,-0.1 0.779 89.3 86.3 -73.3 -23.8 2.5 38.4 7.6 76 81 A K + 0 0 110 1,-0.1 20,-0.1 -3,-0.1 0, 0.0 -0.630 52.1 175.9 -85.1 130.6 2.2 41.8 9.4 77 82 A D + 0 0 99 -2,-0.4 2,-0.2 18,-0.1 -1,-0.1 0.133 28.1 126.4-123.7 16.5 2.4 44.7 7.1 78 83 A S >> - 0 0 52 1,-0.1 4,-3.0 4,-0.0 3,-0.8 -0.596 68.7-113.3 -83.3 151.0 1.9 47.9 9.2 79 84 A E H 3> S+ 0 0 154 1,-0.3 4,-3.7 2,-0.2 5,-0.2 0.805 117.3 56.2 -43.6 -38.7 4.4 50.8 9.0 80 85 A F H 3> S+ 0 0 131 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.960 112.6 40.6 -67.4 -44.0 5.3 50.2 12.6 81 86 A D H <> S+ 0 0 28 -3,-0.8 4,-1.6 2,-0.2 5,-0.3 0.936 116.1 52.8 -60.5 -45.1 6.2 46.6 11.8 82 87 A K H X S+ 0 0 79 -4,-3.0 4,-1.3 1,-0.2 -2,-0.2 0.943 114.3 40.5 -60.5 -49.7 7.8 47.7 8.6 83 88 A V H X S+ 0 0 58 -4,-3.7 4,-2.1 2,-0.2 -1,-0.2 0.712 111.5 53.4 -72.1 -30.3 10.0 50.3 10.3 84 89 A I H X S+ 0 0 44 -4,-2.1 4,-2.8 -5,-0.2 6,-0.3 0.982 107.2 51.6 -67.9 -59.5 11.1 48.3 13.5 85 90 A G H X>S+ 0 0 1 -4,-1.6 5,-2.3 1,-0.2 4,-1.4 0.882 116.4 41.9 -38.4 -48.6 12.4 45.3 11.4 86 91 A L H <5S+ 0 0 80 -4,-1.3 4,-0.3 -5,-0.3 -1,-0.2 0.993 111.7 54.5 -64.6 -57.7 14.5 47.7 9.3 87 92 A E H <5S+ 0 0 152 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.881 105.9 52.7 -46.0 -53.4 15.6 49.8 12.3 88 93 A L H <5S- 0 0 85 -4,-2.8 -1,-0.2 1,-0.1 -2,-0.2 0.950 135.5 -72.8 -40.6 -66.6 17.0 46.7 14.2 89 94 A G T <5S+ 0 0 18 -4,-1.4 -19,-0.3 -5,-0.2 2,-0.3 0.309 83.1 138.0 166.3 9.2 19.1 45.5 11.4 90 95 A A < - 0 0 8 -5,-2.3 -19,-0.2 -4,-0.3 3,-0.1 -0.631 38.6-155.5 -74.1 136.1 17.0 44.0 8.6 91 96 A D S S+ 0 0 79 -21,-1.7 2,-0.3 -2,-0.3 -20,-0.2 0.490 76.0 5.5 -89.2 -8.3 18.1 45.0 5.1 92 97 A D - 0 0 32 -22,-0.2 -20,-2.5 -7,-0.1 2,-0.3 -0.968 61.7-150.8-168.2 160.4 14.7 44.5 3.5 93 98 A Y E -d 72 0A 21 -2,-0.3 2,-0.3 -22,-0.2 -20,-0.2 -0.775 12.8-179.4-150.2 97.3 11.2 43.6 4.6 94 99 A V E -d 73 0A 10 -22,-2.6 -20,-0.9 -2,-0.3 2,-0.4 -0.757 19.3-140.9 -98.7 145.5 8.8 41.8 2.4 95 100 A T E -d 74 0A 37 -2,-0.3 -20,-0.2 -22,-0.2 -18,-0.1 -0.865 28.3 -89.6-108.5 140.8 5.3 41.0 3.7 96 101 A K S S+ 0 0 29 -22,-2.7 2,-0.1 -2,-0.4 -19,-0.0 -0.663 102.5 57.9 -98.0 154.2 3.4 37.8 3.1 97 102 A P S S- 0 0 138 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 0.465 89.9-179.7 -55.3 138.5 1.5 36.6 1.1 98 103 A F - 0 0 39 -2,-0.1 2,-0.5 -4,-0.1 -2,-0.1 -0.736 34.8-112.2-118.0 160.5 4.4 37.3 -1.2 99 104 A S > - 0 0 58 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.860 23.9-143.4 -94.5 127.9 5.1 37.0 -4.9 100 105 A N H > S+ 0 0 58 -2,-0.5 4,-1.7 1,-0.2 -1,-0.1 0.770 98.6 51.9 -66.8 -29.1 7.8 34.3 -5.4 101 106 A R H > S+ 0 0 203 2,-0.2 4,-1.8 1,-0.1 -1,-0.2 0.969 110.0 47.9 -68.3 -52.5 9.4 36.2 -8.3 102 107 A E H > S+ 0 0 75 1,-0.3 4,-1.9 2,-0.2 3,-0.4 0.905 110.7 52.3 -55.1 -48.5 9.6 39.4 -6.4 103 108 A L H X S+ 0 0 4 -4,-2.4 4,-1.8 1,-0.2 -1,-0.3 0.913 110.3 47.8 -53.2 -45.5 11.1 37.6 -3.4 104 109 A Q H X S+ 0 0 31 -4,-1.7 4,-1.2 1,-0.2 -1,-0.2 0.753 108.8 55.0 -76.9 -16.7 13.7 36.0 -5.6 105 110 A A H X S+ 0 0 56 -4,-1.8 4,-2.1 -3,-0.4 -1,-0.2 0.785 107.3 51.1 -75.5 -32.9 14.5 39.4 -7.2 106 111 A R H X S+ 0 0 86 -4,-1.9 4,-2.4 -3,-0.2 -2,-0.2 0.874 103.4 55.8 -75.7 -36.0 15.1 40.8 -3.7 107 112 A V H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 5,-0.2 0.951 111.2 46.3 -54.8 -51.0 17.6 38.1 -2.7 108 113 A K H X S+ 0 0 109 -4,-1.2 4,-2.9 1,-0.2 5,-0.3 0.951 108.0 54.5 -58.6 -50.7 19.6 39.0 -5.7 109 114 A A H X S+ 0 0 33 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.919 111.7 47.6 -50.2 -42.5 19.3 42.8 -5.0 110 115 A L H < S+ 0 0 22 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.888 113.2 45.2 -64.2 -44.4 20.8 41.9 -1.6 111 116 A L H < S+ 0 0 43 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.735 108.9 57.4 -75.1 -26.2 23.6 39.7 -2.9 112 117 A R H < 0 0 199 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.964 360.0 360.0 -64.5 -48.6 24.5 42.2 -5.6 113 118 A R < 0 0 255 -4,-1.7 -3,-0.0 -5,-0.3 -4,-0.0 0.144 360.0 360.0 -67.6 360.0 25.1 45.1 -3.0