==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN/RNA 13-DEC-00 1HQ1 . COMPND 2 MOLECULE: 4.5S RNA DOMAIN IV; . SOURCE 2 SYNTHETIC: YES; . AUTHOR R.T.BATEY,M.B.SAGAR,J.A.DOUDNA . 76 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5060.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 55 72.4 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 . 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 . 2 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 56.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.3 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 1 1 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 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 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 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 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 G 0 0 116 0, 0.0 2,-0.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 84.2 31.7 22.3 3.9 2 2 A F + 0 0 30 68,-0.1 2,-0.2 4,-0.1 72,-0.1 -0.405 360.0 158.0 -64.5 114.7 29.4 19.7 2.3 3 3 A D > - 0 0 31 -2,-0.2 4,-2.4 33,-0.1 32,-0.2 -0.577 57.6 -79.0-130.5-168.2 30.7 16.3 3.1 4 4 A L H > S+ 0 0 0 30,-2.3 4,-3.3 1,-0.2 5,-0.2 0.745 125.7 58.2 -73.3 -24.5 29.4 12.7 3.3 5 5 A N H > S+ 0 0 49 29,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.900 109.5 45.5 -60.2 -47.1 27.8 13.2 6.7 6 6 A D H > S+ 0 0 68 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.935 114.7 48.0 -61.3 -46.0 25.8 16.0 5.1 7 7 A F H X S+ 0 0 12 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.950 109.9 52.2 -59.9 -48.6 25.0 13.8 2.1 8 8 A L H X S+ 0 0 7 -4,-3.3 4,-1.3 1,-0.3 -1,-0.2 0.914 109.5 49.6 -55.6 -41.5 24.0 10.9 4.4 9 9 A E H < S+ 0 0 100 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.879 108.9 52.2 -71.9 -25.6 21.7 13.2 6.3 10 10 A Q H >< S+ 0 0 80 -4,-2.0 3,-0.7 1,-0.2 -2,-0.2 0.915 103.8 56.5 -70.2 -37.0 20.2 14.3 3.0 11 11 A L H 3< S+ 0 0 14 -4,-2.9 2,-0.6 1,-0.3 -1,-0.2 0.788 104.0 57.3 -60.5 -25.3 19.7 10.6 2.1 12 12 A R T 3< 0 0 108 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.1 -0.444 360.0 360.0-100.3 64.5 17.7 10.6 5.4 13 13 A Q < 0 0 193 -3,-0.7 -1,-0.2 -2,-0.6 -2,-0.0 0.256 360.0 360.0 6.7 360.0 15.3 13.4 4.2 14 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 15 21 A D 0 0 91 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 142.3 14.6 3.7 -2.7 16 22 A D + 0 0 55 0, 0.0 5,-0.2 0, 0.0 0, 0.0 -0.821 360.0 79.7 20.1 -6.7 15.9 1.2 -0.3 17 23 A K S S- 0 0 80 3,-0.1 0, 0.0 4,-0.1 0, 0.0 -0.073 130.3 -24.4 -80.8 17.0 16.0 0.7 -4.1 18 24 A V S > S+ 0 0 46 0, 0.0 4,-3.0 0, 0.0 5,-0.3 -0.176 133.9 73.4 160.5 -43.9 19.0 2.9 -3.7 19 25 A L H > S+ 0 0 29 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.955 102.1 41.0 -67.7 -45.0 18.6 4.9 -0.5 20 26 A V H > S+ 0 0 80 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.927 118.1 49.0 -65.8 -36.9 19.3 2.2 2.0 21 27 A R H > S+ 0 0 141 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.875 111.1 50.1 -70.5 -34.9 22.1 0.8 -0.1 22 28 A M H X S+ 0 0 15 -4,-3.0 4,-1.7 2,-0.2 -2,-0.2 0.934 111.2 48.5 -68.9 -44.7 23.6 4.3 -0.5 23 29 A E H X S+ 0 0 41 -4,-2.9 4,-2.4 -5,-0.3 -2,-0.2 0.911 107.6 57.0 -56.8 -40.9 23.4 4.8 3.3 24 30 A A H X S+ 0 0 32 -4,-2.2 4,-0.9 -5,-0.2 -1,-0.2 0.914 102.1 53.8 -61.0 -42.6 25.0 1.4 3.8 25 31 A I H >< S+ 0 0 5 -4,-1.8 3,-1.1 1,-0.2 4,-0.3 0.948 111.1 46.1 -58.1 -44.8 28.1 2.4 1.7 26 32 A I H >< S+ 0 0 0 -4,-1.7 3,-1.9 1,-0.2 -1,-0.2 0.906 105.0 62.1 -64.6 -36.3 28.6 5.5 3.9 27 33 A N H 3< S+ 0 0 87 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.682 98.5 56.8 -63.5 -15.3 28.1 3.4 7.0 28 34 A S T << S+ 0 0 34 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.474 93.3 94.9 -91.0 -4.4 31.2 1.3 6.1 29 35 A M S < S- 0 0 9 -3,-1.9 2,-0.1 -4,-0.3 -3,-0.0 -0.527 75.7-119.3 -85.9 157.4 33.4 4.4 6.0 30 36 A T > - 0 0 61 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.430 32.6-107.8 -77.9 163.3 35.6 5.9 8.7 31 37 A M H > S+ 0 0 116 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.901 121.6 55.3 -64.6 -36.9 34.9 9.4 10.0 32 38 A K H > S+ 0 0 164 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.905 108.7 48.4 -57.0 -40.5 38.0 10.7 8.1 33 39 A E H 4 S+ 0 0 0 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.897 111.6 48.5 -65.2 -41.7 36.6 9.2 4.9 34 40 A R H < S+ 0 0 33 -4,-2.3 -30,-2.3 1,-0.2 -29,-0.4 0.882 113.9 47.7 -66.1 -34.4 33.2 10.8 5.4 35 41 A A H < S+ 0 0 58 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.784 128.8 20.4 -76.0 -29.1 34.9 14.1 6.2 36 42 A K >< + 0 0 103 -4,-1.6 3,-2.4 -5,-0.2 -1,-0.2 -0.646 67.6 178.6-142.8 70.4 37.3 14.1 3.2 37 43 A P G > S+ 0 0 11 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.696 71.1 78.5 -58.7 -18.7 35.9 11.7 0.5 38 44 A E G 3 S+ 0 0 110 1,-0.3 -5,-0.1 -5,-0.0 -2,-0.0 0.717 82.7 66.4 -61.9 -17.5 38.8 12.5 -1.9 39 45 A I G < S+ 0 0 41 -3,-2.4 2,-1.3 -7,-0.2 -1,-0.3 0.601 74.6 104.5 -77.9 -7.3 41.1 10.2 0.2 40 46 A I < + 0 0 9 -3,-2.1 2,-0.1 -4,-0.2 -1,-0.1 -0.607 47.9 153.7 -80.4 97.2 39.0 7.3 -0.9 41 47 A K > - 0 0 139 -2,-1.3 4,-2.8 0, 0.0 5,-0.2 -0.206 59.5 -58.4-108.3-159.2 41.2 5.5 -3.4 42 48 A G H > S+ 0 0 42 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.889 129.4 44.5 -58.7 -45.7 41.3 1.9 -4.6 43 49 A S H > S+ 0 0 77 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.936 115.5 46.9 -68.4 -42.4 42.1 0.1 -1.3 44 50 A R H > S+ 0 0 93 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.902 111.0 53.7 -66.1 -37.9 39.6 2.1 0.8 45 51 A K H X S+ 0 0 53 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.923 108.5 49.4 -60.2 -41.5 36.9 1.5 -2.0 46 52 A R H X S+ 0 0 156 -4,-2.3 4,-2.3 -5,-0.2 5,-0.3 0.907 112.8 47.0 -64.0 -40.0 37.6 -2.3 -1.8 47 53 A R H X S+ 0 0 103 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.933 114.9 46.2 -65.6 -46.0 37.3 -2.3 2.0 48 54 A I H X S+ 0 0 0 -4,-2.9 4,-1.1 2,-0.2 6,-0.2 0.909 112.3 51.2 -62.9 -43.0 34.1 -0.2 1.9 49 55 A A H >X>S+ 0 0 4 -4,-2.9 5,-2.5 -5,-0.3 3,-0.9 0.974 114.2 40.7 -60.4 -54.7 32.5 -2.3 -0.9 50 56 A A H ><5S+ 0 0 80 -4,-2.3 3,-1.3 1,-0.3 -2,-0.2 0.942 113.6 55.5 -60.4 -38.4 33.1 -5.6 0.8 51 57 A G H 3<5S+ 0 0 57 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.714 113.3 40.9 -69.6 -19.3 32.1 -4.2 4.2 52 58 A S H <<5S- 0 0 19 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.335 113.3-113.5-109.0 5.1 28.7 -3.0 2.8 53 59 A G T <<5S+ 0 0 64 -3,-1.3 -3,-0.2 -4,-0.6 2,-0.2 0.780 80.6 114.2 68.5 29.0 28.0 -6.1 0.7 54 60 A M < - 0 0 19 -5,-2.5 2,-0.3 -6,-0.2 -1,-0.2 -0.626 68.5-103.5-117.0 177.1 28.4 -4.1 -2.5 55 61 A Q >> - 0 0 123 -2,-0.2 4,-1.5 1,-0.1 3,-1.0 -0.720 33.5-111.1 -98.1 160.5 30.7 -4.0 -5.5 56 62 A V H 3> S+ 0 0 48 -2,-0.3 4,-2.9 1,-0.3 5,-0.2 0.873 119.1 61.8 -55.4 -34.5 33.4 -1.3 -5.9 57 63 A Q H 3> S+ 0 0 141 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.894 100.7 53.3 -65.5 -27.8 31.4 -0.0 -8.9 58 64 A D H <> S+ 0 0 59 -3,-1.0 4,-2.4 2,-0.2 -1,-0.2 0.912 109.0 48.6 -65.9 -39.6 28.5 0.7 -6.4 59 65 A V H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.930 110.2 52.2 -63.6 -44.8 30.9 2.7 -4.3 60 66 A N H X S+ 0 0 65 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.927 109.2 49.8 -56.8 -44.4 32.1 4.5 -7.4 61 67 A R H X S+ 0 0 143 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.918 110.3 48.7 -63.9 -44.8 28.5 5.4 -8.2 62 68 A L H X S+ 0 0 1 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.914 111.6 50.8 -56.2 -44.3 27.7 6.7 -4.7 63 69 A L H X S+ 0 0 28 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.871 110.1 49.4 -66.2 -34.5 30.9 8.8 -4.8 64 70 A K H X S+ 0 0 121 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.919 111.3 48.5 -68.5 -45.0 29.9 10.3 -8.2 65 71 A Q H X S+ 0 0 62 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.931 112.9 49.1 -60.8 -42.5 26.4 11.1 -6.9 66 72 A F H X S+ 0 0 6 -4,-2.8 4,-3.1 2,-0.2 5,-0.2 0.953 110.2 51.3 -58.5 -46.5 28.1 12.7 -3.8 67 73 A D H X S+ 0 0 50 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.931 108.7 50.2 -60.6 -42.5 30.4 14.6 -6.1 68 74 A D H X S+ 0 0 72 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.913 113.4 46.2 -63.4 -37.3 27.5 15.9 -8.2 69 75 A M H X S+ 0 0 32 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.894 110.5 52.1 -73.0 -38.2 25.6 17.1 -5.0 70 76 A Q H X S+ 0 0 58 -4,-3.1 4,-1.7 -5,-0.2 -1,-0.2 0.904 110.7 49.4 -64.1 -37.3 28.7 18.7 -3.5 71 77 A R H X S+ 0 0 157 -4,-2.3 4,-1.5 -5,-0.2 -2,-0.2 0.928 112.2 47.5 -65.3 -45.2 29.2 20.6 -6.8 72 78 A M H X S+ 0 0 87 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.933 110.2 50.9 -64.6 -47.6 25.6 21.8 -6.9 73 79 A M H X S+ 0 0 60 -4,-3.1 4,-1.5 1,-0.2 -1,-0.2 0.899 107.7 54.6 -57.7 -34.6 25.6 22.9 -3.2 74 80 A K H < S+ 0 0 140 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.905 114.6 40.9 -62.1 -36.5 28.7 24.9 -3.9 75 81 A K H < S+ 0 0 178 -4,-1.5 -2,-0.2 2,-0.3 -1,-0.2 0.813 110.1 52.7 -87.5 -28.6 27.0 26.6 -6.7 76 82 A M H < 0 0 151 -4,-2.8 -1,-0.2 1,-0.1 -2,-0.2 0.806 360.0 360.0 -72.7 -25.0 23.6 27.2 -5.1 77 83 A K < 0 0 113 -4,-1.5 -2,-0.3 -5,-0.3 -3,-0.2 0.433 360.0 360.0-122.1 360.0 25.8 28.7 -2.4