==== 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 DNA BINDING REGULATORY PROTEIN 01-DEC-87 3WRP . COMPND 2 MOLECULE: TRP REPRESSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.-G.ZHANG,P.B.SIGLER . 101 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7973.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 78 77.2 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 . 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.0 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 0 0 0 2 0 0 1 1 0 0 0 0 0 0 2 0 0 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 8 A S 0 0 112 0, 0.0 7,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 88.8 2.6 14.3 17.1 2 9 A A > + 0 0 95 2,-0.1 3,-1.5 1,-0.1 4,-0.2 0.818 360.0 59.7 -75.1 -35.7 0.2 16.0 19.5 3 10 A A T > S+ 0 0 100 1,-0.3 3,-0.6 2,-0.1 2,-0.2 0.968 111.4 38.0 -59.6 -49.5 3.1 16.4 21.9 4 11 A M T 3> S+ 0 0 89 1,-0.2 4,-1.8 2,-0.1 -1,-0.3 -0.095 78.8 117.2 -95.2 36.0 5.1 18.5 19.3 5 12 A A H <> S+ 0 0 55 -3,-1.5 4,-1.2 1,-0.2 -1,-0.2 0.778 74.7 56.2 -68.9 -28.4 2.1 20.4 17.9 6 13 A E H <> S+ 0 0 131 -3,-0.6 4,-1.8 -4,-0.2 -1,-0.2 0.899 107.6 44.7 -72.1 -42.6 3.7 23.6 19.1 7 14 A Q H > S+ 0 0 66 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.938 114.4 50.6 -62.5 -47.4 7.0 23.2 17.2 8 15 A R H X S+ 0 0 132 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.714 108.5 53.0 -61.2 -27.2 5.0 22.1 14.2 9 16 A H H X S+ 0 0 96 -4,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.803 108.9 48.3 -75.6 -42.5 2.9 25.3 14.5 10 17 A Q H X S+ 0 0 83 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.919 110.6 51.4 -61.9 -38.6 5.9 27.5 14.6 11 18 A E H X S+ 0 0 74 -4,-1.9 4,-1.8 2,-0.2 3,-0.3 0.903 109.9 50.2 -72.2 -36.7 7.4 25.8 11.5 12 19 A W H X S+ 0 0 135 -4,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.951 106.6 54.0 -65.9 -45.2 4.1 26.3 9.7 13 20 A L H X S+ 0 0 73 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.770 102.8 58.5 -63.5 -28.9 4.0 30.0 10.6 14 21 A R H X S+ 0 0 163 -4,-1.1 4,-2.0 -3,-0.3 3,-0.4 0.967 107.1 47.1 -60.9 -55.5 7.5 30.4 9.1 15 22 A F H >X S+ 0 0 58 -4,-1.8 4,-2.6 1,-0.2 3,-0.8 0.975 111.2 51.3 -53.4 -48.0 6.2 29.1 5.8 16 23 A V H 3X S+ 0 0 51 -4,-2.6 4,-1.7 1,-0.3 -1,-0.2 0.814 110.9 47.9 -60.2 -31.1 3.2 31.5 5.9 17 24 A D H 3X S+ 0 0 82 -4,-1.8 4,-1.1 -3,-0.4 -1,-0.3 0.789 111.3 50.8 -80.3 -28.5 5.4 34.5 6.6 18 25 A L H X>S+ 0 0 10 -4,-2.0 5,-3.2 1,-0.2 3,-0.9 0.862 103.4 55.4 -66.4 -37.8 7.0 36.5 -1.7 23 30 A Y H ><5S+ 0 0 128 -4,-2.3 3,-0.5 1,-0.3 -1,-0.2 0.857 106.9 49.8 -62.6 -38.2 3.5 37.8 -2.6 24 31 A Q T 3<5S+ 0 0 139 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.591 115.0 45.3 -74.0 -13.0 4.6 41.4 -1.9 25 32 A N T <45S- 0 0 103 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.2 0.380 111.9-118.7-101.6 -11.4 7.8 40.7 -4.0 26 33 A D T <<5S+ 0 0 124 -4,-0.7 -3,-0.2 -3,-0.5 3,-0.2 0.766 85.3 116.3 69.8 35.1 5.8 39.1 -6.9 27 34 A L >< + 0 0 98 -5,-3.2 4,-2.6 1,-0.1 -4,-0.2 0.359 35.6 105.9-114.5 18.8 7.9 35.9 -6.2 28 35 A H H > S+ 0 0 40 -6,-0.8 4,-2.1 1,-0.2 -1,-0.1 0.779 73.6 54.2 -73.1 -34.6 4.9 33.8 -5.2 29 36 A L H > S+ 0 0 102 -3,-0.2 4,-1.8 2,-0.2 5,-0.2 0.975 112.2 41.8 -65.4 -52.6 4.7 31.8 -8.4 30 37 A P H > S+ 0 0 74 0, 0.0 4,-1.7 0, 0.0 3,-0.5 0.945 114.7 52.6 -59.5 -39.1 8.2 30.6 -8.3 31 38 A L H X S+ 0 0 20 -4,-2.6 4,-3.3 1,-0.3 5,-0.2 0.915 109.7 48.7 -64.5 -43.1 8.0 30.0 -4.5 32 39 A L H X S+ 0 0 31 -4,-2.1 4,-1.5 1,-0.3 -1,-0.3 0.799 110.4 49.7 -67.1 -37.8 4.9 27.9 -4.9 33 40 A N H < S+ 0 0 93 -4,-1.8 -1,-0.3 -3,-0.5 -2,-0.2 0.722 114.1 48.3 -68.4 -30.2 6.4 25.7 -7.7 34 41 A L H < S+ 0 0 129 -4,-1.7 -2,-0.2 -5,-0.2 -3,-0.2 0.947 117.7 38.4 -73.0 -48.2 9.5 25.3 -5.5 35 42 A M H < S+ 0 0 86 -4,-3.3 2,-0.4 -5,-0.2 -2,-0.2 0.670 113.1 53.0 -76.6 -33.2 7.5 24.3 -2.3 36 43 A L S < S- 0 0 41 -4,-1.5 0, 0.0 -5,-0.2 0, 0.0 -0.917 72.7-124.1-116.4 154.6 4.7 22.2 -3.8 37 44 A T > - 0 0 56 -2,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.338 31.0-112.6 -85.1 165.3 4.4 19.1 -6.0 38 45 A P H > S+ 0 0 81 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.875 122.0 54.4 -62.2 -46.9 2.3 19.1 -9.2 39 46 A D H > S+ 0 0 116 2,-0.2 4,-1.9 1,-0.2 5,-0.0 0.798 109.4 46.4 -48.2 -49.8 0.1 16.7 -7.3 40 47 A E H > S+ 0 0 86 2,-0.2 4,-2.3 1,-0.1 -1,-0.2 0.898 111.9 49.4 -67.3 -43.8 -0.3 19.1 -4.5 41 48 A R H X S+ 0 0 91 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.881 111.2 51.3 -65.2 -34.2 -1.0 22.1 -6.8 42 49 A E H X S+ 0 0 138 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.918 110.0 49.8 -62.9 -46.8 -3.6 20.0 -8.6 43 50 A A H X S+ 0 0 31 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.861 108.9 50.5 -58.5 -51.4 -5.3 19.1 -5.3 44 51 A L H X S+ 0 0 76 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.844 108.3 53.4 -54.9 -41.5 -5.5 22.7 -4.1 45 52 A G H X S+ 0 0 27 -4,-1.8 4,-0.6 1,-0.2 -1,-0.2 0.841 111.6 46.1 -56.0 -50.1 -7.1 23.7 -7.4 46 53 A T H >X S+ 0 0 43 -4,-1.7 4,-1.6 1,-0.2 3,-0.6 0.811 104.6 60.9 -64.3 -31.5 -9.6 21.0 -6.8 47 54 A R H 3X S+ 0 0 116 -4,-2.1 4,-1.8 1,-0.3 -2,-0.2 0.749 98.2 58.8 -66.2 -29.6 -10.2 22.0 -3.2 48 55 A V H 3X S+ 0 0 58 -4,-1.2 4,-2.0 2,-0.2 -1,-0.3 0.833 106.3 48.7 -61.5 -43.4 -11.4 25.4 -4.4 49 56 A R H > - 0 0 61 -2,-0.5 4,-3.0 1,-0.1 3,-0.9 -0.215 35.3-101.8 -83.9 155.8 -24.8 15.9 -3.4 61 68 A Q H 3> S+ 0 0 100 1,-0.3 4,-1.1 2,-0.2 5,-0.1 0.860 122.7 46.4 -47.9 -44.7 -21.5 14.5 -2.0 62 69 A R H 3> S+ 0 0 177 2,-0.3 4,-1.7 1,-0.2 -1,-0.3 0.748 108.8 52.3 -74.5 -34.3 -21.4 11.7 -4.7 63 70 A E H <> S+ 0 0 98 -3,-0.9 4,-4.1 1,-0.2 5,-0.5 0.935 107.1 58.2 -62.5 -37.3 -22.2 14.1 -7.6 64 71 A L H X S+ 0 0 2 -4,-3.0 4,-1.1 1,-0.3 6,-0.7 0.808 106.0 45.9 -61.4 -37.7 -19.3 16.0 -6.2 65 72 A K H X S+ 0 0 86 -4,-1.1 4,-1.0 -5,-0.2 -1,-0.3 0.848 117.4 45.3 -70.9 -41.3 -17.0 12.9 -6.6 66 73 A N H < S+ 0 0 123 -4,-1.7 -2,-0.2 2,-0.2 -3,-0.2 0.919 119.9 35.7 -68.5 -52.1 -18.2 12.3 -10.1 67 74 A E H < S+ 0 0 133 -4,-4.1 -3,-0.2 1,-0.1 -2,-0.2 0.731 130.3 31.8 -81.2 -21.8 -18.2 15.9 -11.5 68 75 A L H < S- 0 0 40 -4,-1.1 -3,-0.2 -5,-0.5 -2,-0.2 0.663 94.2-134.7-107.6 -22.9 -15.1 17.1 -9.7 69 76 A G < + 0 0 65 -4,-1.0 2,-0.3 -5,-0.3 -4,-0.2 0.702 55.1 142.9 74.3 25.3 -13.1 13.8 -9.5 70 77 A A - 0 0 7 -6,-0.7 -1,-0.3 -24,-0.1 -2,-0.1 -0.686 56.1-107.6-100.5 133.3 -12.3 14.3 -5.8 71 78 A G >> - 0 0 46 -2,-0.3 4,-1.3 1,-0.1 3,-1.2 -0.384 27.3-116.7 -57.0 145.0 -12.2 11.4 -3.3 72 79 A I H 3> S+ 0 0 62 1,-0.3 4,-2.4 2,-0.2 3,-0.2 0.843 113.7 58.3 -50.6 -45.0 -15.0 11.3 -0.8 73 80 A A H 3> S+ 0 0 76 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.715 103.4 53.7 -59.5 -30.2 -12.7 11.7 2.2 74 81 A T H <> S+ 0 0 55 -3,-1.2 4,-1.8 2,-0.2 -1,-0.2 0.836 111.0 46.0 -70.9 -32.8 -11.5 15.0 0.7 75 82 A I H X S+ 0 0 3 -4,-1.3 4,-2.7 -3,-0.2 -2,-0.2 0.929 112.1 50.1 -74.7 -45.4 -15.1 16.2 0.5 76 83 A T H X S+ 0 0 54 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.881 115.4 42.2 -63.6 -43.8 -15.9 15.0 4.0 77 84 A R H X S+ 0 0 152 -4,-1.7 4,-2.8 2,-0.2 5,-0.3 0.885 112.7 54.2 -70.4 -36.4 -12.9 16.8 5.4 78 85 A G H X S+ 0 0 9 -4,-1.8 4,-1.3 1,-0.2 -2,-0.2 0.927 111.0 47.6 -68.0 -33.6 -13.7 19.8 3.2 79 86 A S H X S+ 0 0 54 -4,-2.7 4,-1.1 1,-0.2 -2,-0.2 0.903 112.7 47.9 -67.2 -49.9 -17.1 19.7 4.7 80 87 A N H X S+ 0 0 74 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.821 110.9 49.6 -61.1 -42.4 -15.8 19.4 8.3 81 88 A S H < S+ 0 0 48 -4,-2.8 4,-0.5 1,-0.2 -1,-0.2 0.838 105.9 56.1 -71.5 -29.9 -13.3 22.2 8.0 82 89 A L H < S+ 0 0 27 -4,-1.3 3,-0.3 -5,-0.3 -1,-0.2 0.852 106.3 50.7 -68.7 -38.2 -15.7 24.7 6.5 83 90 A K H < S+ 0 0 150 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.918 110.6 49.2 -66.4 -38.2 -18.1 24.2 9.5 84 91 A A S < S+ 0 0 83 -4,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.567 91.7 112.4 -74.6 -10.1 -15.1 24.9 11.9 85 92 A A S S- 0 0 12 -4,-0.5 2,-0.1 -3,-0.3 -3,-0.0 -0.384 80.3-103.8 -69.6 140.6 -14.3 28.0 9.8 86 93 A P >> - 0 0 80 0, 0.0 3,-1.9 0, 0.0 4,-1.8 -0.438 29.8-118.6 -60.3 139.1 -14.8 31.4 11.4 87 94 A V H 3> S+ 0 0 70 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.734 112.4 62.4 -48.2 -38.6 -18.0 33.1 10.2 88 95 A E H 3> S+ 0 0 151 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.821 105.2 45.5 -61.7 -34.1 -15.9 36.0 8.7 89 96 A L H <> S+ 0 0 73 -3,-1.9 4,-3.2 2,-0.2 5,-0.3 0.917 110.2 53.8 -72.9 -51.2 -14.1 33.6 6.3 90 97 A R H X S+ 0 0 89 -4,-1.8 4,-1.2 1,-0.2 -2,-0.2 0.849 109.4 48.4 -49.2 -46.6 -17.4 31.9 5.3 91 98 A Q H X S+ 0 0 106 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.894 112.9 48.7 -60.4 -48.5 -18.9 35.3 4.4 92 99 A W H X S+ 0 0 147 -4,-1.1 4,-2.7 1,-0.2 -2,-0.2 0.937 109.7 49.8 -60.1 -49.5 -15.8 36.2 2.4 93 100 A L H X S+ 0 0 31 -4,-3.2 4,-2.1 2,-0.2 5,-0.2 0.710 110.7 51.2 -60.3 -37.3 -15.7 32.9 0.5 94 101 A E H X S+ 0 0 84 -4,-1.2 4,-1.5 -5,-0.3 6,-0.3 0.892 111.2 49.3 -61.5 -43.3 -19.5 33.4 -0.4 95 102 A E H < S+ 0 0 93 -4,-1.8 -2,-0.2 4,-0.2 -3,-0.1 0.899 121.8 32.2 -58.6 -53.9 -18.7 36.9 -1.6 96 103 A V H ><>S+ 0 0 39 -4,-2.7 5,-0.8 3,-0.2 3,-0.6 0.967 127.5 34.5 -80.5 -53.7 -15.8 35.7 -3.7 97 104 A L H 3<5S+ 0 0 26 -4,-2.1 -3,-0.2 1,-0.3 -2,-0.2 0.592 135.4 25.8 -76.8 -20.6 -16.7 32.2 -4.9 98 105 A L T 3<5S+ 0 0 62 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.1 -0.590 132.6 35.4-146.8 60.9 -20.4 33.0 -5.2 99 106 A K T < 5S- 0 0 159 -3,-0.6 -3,-0.2 -6,-0.1 -4,-0.2 -0.110 113.4-138.3 168.9 -7.7 -20.5 36.7 -5.7 100 107 A S T 5 0 0 83 -4,-0.4 -3,-0.2 -6,-0.3 -4,-0.1 0.902 360.0 360.0 35.0 139.8 -17.4 36.3 -7.8 101 108 A D < 0 0 181 -5,-0.8 -1,-0.1 0, 0.0 -5,-0.1 -0.838 360.0 360.0 155.7 360.0 -14.1 38.1 -8.2