==== 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 PROTEIN 04-SEP-04 1XD7 . COMPND 2 MOLECULE: YWNA; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS SUBSP. SUBTILIS; . AUTHOR R.AGARWAL,S.SWAMINATHAN,S.K.BURLEY,NEW YORK SGX RESEARCH CEN . 116 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7876.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 91 78.4 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 . 5 4.3 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 . 3 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 59 50.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.7 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 1 0 0 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 1 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 . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 6 A S > 0 0 132 0, 0.0 4,-1.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 140.0 6.8 1.7 4.9 2 7 A R H > + 0 0 104 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.590 360.0 71.3 -81.7 -13.7 10.5 1.4 4.1 3 8 A L H > S+ 0 0 38 2,-0.2 4,-2.4 3,-0.2 -1,-0.2 0.937 97.5 47.1 -67.9 -49.0 10.8 5.2 4.7 4 9 A A H > S+ 0 0 43 2,-0.2 4,-2.6 1,-0.2 3,-0.4 0.973 114.0 46.7 -57.3 -55.4 10.4 4.8 8.4 5 10 A V H X S+ 0 0 29 -4,-1.1 4,-2.1 1,-0.3 -1,-0.2 0.890 111.7 52.2 -56.9 -37.1 12.9 2.0 8.6 6 11 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.3 0.876 109.5 50.9 -67.1 -33.2 15.2 4.0 6.5 7 12 A I H X S+ 0 0 22 -4,-2.4 4,-3.2 -3,-0.4 -2,-0.2 0.933 108.1 49.1 -69.4 -47.8 14.8 6.9 8.9 8 13 A H H X S+ 0 0 114 -4,-2.6 4,-2.3 1,-0.2 5,-0.3 0.949 112.7 50.5 -54.8 -47.5 15.5 4.9 12.1 9 14 A I H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.3 -1,-0.2 0.944 112.4 44.9 -56.3 -52.0 18.6 3.6 10.4 10 15 A L H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.887 108.9 57.8 -62.1 -39.7 19.8 7.1 9.4 11 16 A S H >X S+ 0 0 24 -4,-3.2 4,-0.9 1,-0.2 3,-0.5 0.964 109.9 42.3 -54.4 -55.7 19.0 8.5 12.8 12 17 A L H 3< S+ 0 0 50 -4,-2.3 3,-0.5 1,-0.3 4,-0.4 0.880 111.6 54.9 -60.2 -38.6 21.3 6.0 14.6 13 18 A I H >< S+ 0 0 5 -4,-2.1 3,-2.2 -5,-0.3 46,-0.3 0.830 94.1 72.8 -65.0 -26.8 23.9 6.5 11.9 14 19 A S H << S+ 0 0 32 -4,-1.8 -1,-0.2 -3,-0.5 -2,-0.2 0.943 89.6 57.7 -48.1 -53.7 23.6 10.1 12.7 15 20 A M T 3< S- 0 0 129 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.648 98.4-147.2 -52.6 -18.5 25.5 9.5 16.0 16 21 A D < + 0 0 74 -3,-2.2 -3,-0.1 -4,-0.4 -2,-0.1 0.942 42.0 149.9 43.8 76.6 28.3 8.1 13.9 17 22 A E S S- 0 0 136 -5,-0.2 3,-0.2 3,-0.0 -1,-0.1 -0.072 71.3-100.3-125.4 30.0 29.6 5.4 16.3 18 23 A K - 0 0 110 1,-0.2 2,-0.6 39,-0.2 38,-0.1 0.943 59.9-176.8 49.5 49.0 30.9 2.8 13.9 19 24 A T - 0 0 31 38,-0.3 38,-0.4 36,-0.1 -1,-0.2 -0.726 18.6-133.5 -85.5 121.1 27.6 1.0 14.4 20 25 A S > - 0 0 8 -2,-0.6 4,-1.6 -3,-0.2 5,-0.1 -0.118 20.8-111.9 -64.6 167.6 27.5 -2.3 12.5 21 26 A S H > S+ 0 0 13 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.887 116.0 56.7 -71.2 -37.8 24.5 -3.3 10.6 22 27 A E H > S+ 0 0 103 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.969 106.5 47.8 -56.3 -56.6 23.6 -6.1 13.0 23 28 A I H > S+ 0 0 73 1,-0.2 4,-4.2 2,-0.2 5,-0.3 0.880 110.9 53.7 -52.4 -41.0 23.5 -3.7 16.0 24 29 A I H X S+ 0 0 1 -4,-1.6 4,-4.0 2,-0.2 5,-0.3 0.937 108.1 47.6 -62.1 -47.1 21.3 -1.4 14.0 25 30 A A H X>S+ 0 0 1 -4,-2.6 5,-2.2 2,-0.2 4,-1.3 0.936 115.8 46.8 -59.6 -43.4 18.9 -4.1 13.2 26 31 A D H ><5S+ 0 0 113 -4,-2.9 3,-0.9 2,-0.2 -2,-0.2 0.989 116.2 43.2 -58.3 -60.6 18.9 -5.1 16.9 27 32 A S H 3<5S+ 0 0 76 -4,-4.2 -2,-0.2 1,-0.3 -1,-0.2 0.869 120.6 42.0 -52.8 -41.3 18.6 -1.5 18.0 28 33 A V H 3<5S- 0 0 24 -4,-4.0 -1,-0.3 -5,-0.3 -2,-0.2 0.624 107.5-132.0 -82.4 -11.9 15.9 -0.9 15.3 29 34 A N T <<5 + 0 0 146 -4,-1.3 2,-0.3 -3,-0.9 -3,-0.2 0.964 65.0 116.3 58.0 55.7 14.4 -4.3 16.2 30 35 A T S - 0 0 80 -2,-0.3 4,-1.8 1,-0.1 -3,-0.0 -0.331 37.0-135.8 -60.1 136.5 15.7 -8.1 10.3 32 37 A P H > S+ 0 0 58 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.448 101.7 60.2 -76.7 -0.9 19.4 -7.4 9.5 33 38 A V H > S+ 0 0 89 2,-0.2 4,-3.2 3,-0.1 5,-0.2 0.864 106.0 48.2 -86.6 -44.2 19.0 -8.3 5.8 34 39 A V H > S+ 0 0 51 1,-0.2 4,-3.7 2,-0.2 5,-0.3 0.950 112.5 50.1 -53.4 -53.4 16.4 -5.6 5.5 35 40 A V H X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.919 111.8 45.3 -54.8 -50.5 18.8 -3.2 7.2 36 41 A R H X S+ 0 0 133 -4,-1.2 4,-1.7 2,-0.2 -1,-0.2 0.936 114.8 49.9 -62.4 -42.2 21.7 -4.1 5.0 37 42 A R H >X S+ 0 0 147 -4,-3.2 4,-2.4 2,-0.2 3,-0.9 0.970 110.9 47.8 -57.5 -56.6 19.4 -3.8 1.9 38 43 A M H 3X S+ 0 0 9 -4,-3.7 4,-2.8 1,-0.3 -1,-0.2 0.905 112.3 52.5 -50.8 -41.6 18.1 -0.4 3.0 39 44 A I H 3X S+ 0 0 10 -4,-2.8 4,-1.5 -5,-0.3 -1,-0.3 0.778 105.8 50.9 -69.9 -26.7 21.8 0.5 3.6 40 45 A S H S+ 0 0 0 -4,-2.8 5,-3.6 1,-0.2 6,-1.0 0.869 115.9 42.9 -54.2 -38.3 20.9 4.6 0.8 43 48 A K H ><5S+ 0 0 70 -4,-1.5 3,-3.1 4,-0.2 -1,-0.2 0.919 109.5 56.3 -73.4 -41.7 24.5 4.4 -0.3 44 49 A K H 3<5S+ 0 0 175 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.876 108.1 49.0 -54.9 -37.1 23.5 3.7 -3.9 45 50 A A T 3<5S- 0 0 47 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.210 119.2-121.8 -86.0 16.5 21.6 7.0 -3.6 46 51 A D T < 5S+ 0 0 93 -3,-3.1 -3,-0.2 -5,-0.2 -2,-0.1 0.789 81.2 122.5 45.1 34.7 24.9 8.3 -2.1 47 52 A I S - 0 0 89 -2,-0.3 3,-3.5 1,-0.1 50,-0.1 -0.467 40.3-120.4 -72.4 137.5 24.6 16.8 7.2 63 68 A P G > S+ 0 0 25 0, 0.0 50,-2.3 0, 0.0 49,-1.0 0.632 113.6 61.3 -47.3 -23.8 21.2 15.8 8.6 64 69 A A G 3 S+ 0 0 46 1,-0.2 -2,-0.0 48,-0.2 50,-0.0 0.619 102.9 51.4 -83.3 -13.2 19.9 19.2 7.8 65 70 A D G < S+ 0 0 94 -3,-3.5 2,-0.5 1,-0.1 -1,-0.2 0.055 91.2 90.2-108.8 22.0 20.6 18.7 4.2 66 71 A I < - 0 0 1 -3,-0.8 46,-1.8 -5,-0.1 47,-0.2 -0.900 61.9-159.3-124.8 104.0 18.8 15.4 3.9 67 72 A S B > -B 111 0B 26 -2,-0.5 4,-1.6 44,-0.2 44,-0.2 -0.466 23.8-128.9 -79.8 150.9 15.1 15.6 3.0 68 73 A L H > S+ 0 0 21 42,-1.0 4,-3.3 39,-0.8 3,-0.2 0.923 113.9 55.8 -64.0 -39.8 12.7 12.8 3.7 69 74 A L H > S+ 0 0 37 38,-3.2 4,-2.2 41,-0.3 5,-0.2 0.938 104.4 54.0 -55.2 -44.2 11.6 13.0 0.1 70 75 A E H > S+ 0 0 72 37,-0.3 4,-1.2 1,-0.2 -1,-0.3 0.875 111.3 45.2 -56.4 -38.9 15.3 12.4 -0.7 71 76 A V H X S+ 0 0 0 -4,-1.6 4,-1.3 -3,-0.2 -2,-0.2 0.909 108.0 59.2 -70.3 -44.7 15.2 9.3 1.5 72 77 A Y H >X S+ 0 0 42 -4,-3.3 3,-1.1 1,-0.2 4,-0.7 0.933 103.9 47.3 -48.7 -60.5 12.0 8.2 0.0 73 78 A R H >< S+ 0 0 166 -4,-2.2 3,-1.1 1,-0.3 -1,-0.2 0.896 106.5 58.9 -52.6 -45.1 13.2 7.9 -3.6 74 79 A A H 3< S+ 0 0 16 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.822 121.3 26.8 -56.0 -32.6 16.3 6.0 -2.5 75 80 A V H << S+ 0 0 6 -4,-1.3 -1,-0.3 -3,-1.1 -2,-0.2 0.256 94.5 132.1-113.2 9.9 14.1 3.3 -0.9 76 81 A Q << 0 0 86 -3,-1.1 -3,-0.1 -4,-0.7 -4,-0.0 -0.442 360.0 360.0 -66.9 128.4 11.1 3.9 -3.3 77 82 A K 0 0 189 -2,-0.2 -1,-0.1 0, 0.0 -3,-0.1 -0.296 360.0 360.0 -63.3 360.0 9.6 0.8 -4.8 78 ! 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 79 94 A N 0 0 199 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 11.5 -9.2 -2.6 -16.9 80 95 A P + 0 0 53 0, 0.0 9,-0.0 0, 0.0 0, 0.0 0.619 360.0 174.3-100.3 169.3 -11.2 -0.8 -18.3 81 96 A K + 0 0 194 -2,-0.1 5,-0.1 4,-0.0 0, 0.0 0.851 54.4 91.2 -98.9 -44.7 -12.2 -1.5 -21.9 82 97 A C S > S- 0 0 67 1,-0.1 4,-1.9 3,-0.1 5,-0.1 -0.116 80.1-125.9 -50.5 149.0 -15.0 0.9 -22.7 83 98 A P H > S+ 0 0 96 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.858 111.8 55.1 -67.5 -33.2 -13.7 4.2 -24.2 84 99 A V H > S+ 0 0 91 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.938 105.3 51.7 -63.6 -47.6 -15.5 6.1 -21.4 85 100 A G H > S+ 0 0 19 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.941 109.5 49.2 -54.7 -50.9 -13.8 4.1 -18.8 86 101 A K H X S+ 0 0 127 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.917 108.1 54.5 -56.0 -45.7 -10.4 4.9 -20.3 87 102 A K H >X S+ 0 0 154 -4,-2.3 4,-1.7 1,-0.2 3,-0.6 0.976 110.7 44.4 -50.4 -63.1 -11.2 8.6 -20.5 88 103 A I H 3X S+ 0 0 98 -4,-2.3 4,-3.2 1,-0.3 -1,-0.2 0.873 106.8 63.0 -48.2 -41.7 -12.1 8.7 -16.8 89 104 A Q H 3X S+ 0 0 83 -4,-2.7 4,-3.8 -5,-0.3 -1,-0.3 0.949 102.7 48.6 -50.3 -52.8 -8.9 6.7 -16.2 90 105 A N H X S+ 0 0 48 -4,-1.7 4,-2.0 1,-0.2 3,-0.5 0.996 114.2 43.9 -56.8 -58.7 -8.7 12.0 -15.4 92 107 A L H 3X S+ 0 0 59 -4,-3.2 4,-2.4 1,-0.2 5,-0.3 0.920 107.4 60.4 -48.4 -53.5 -7.9 9.8 -12.4 93 108 A D H 3< S+ 0 0 78 -4,-3.8 4,-0.3 1,-0.2 -1,-0.2 0.870 108.4 42.8 -43.4 -49.3 -4.4 9.2 -13.5 94 109 A E H XX S+ 0 0 99 -4,-2.0 3,-1.5 -3,-0.5 4,-1.3 0.899 109.6 55.8 -70.7 -38.8 -3.5 12.9 -13.4 95 110 A T H >X S+ 0 0 58 -4,-2.0 4,-2.5 1,-0.3 3,-1.6 0.960 103.5 55.2 -57.2 -50.7 -5.3 13.6 -10.1 96 111 A F H 3X S+ 0 0 131 -4,-2.4 4,-1.0 1,-0.3 -1,-0.3 0.658 105.9 54.9 -54.8 -16.1 -3.2 10.9 -8.4 97 112 A E H <> S+ 0 0 118 -3,-1.5 4,-2.3 -4,-0.3 -1,-0.3 0.743 105.6 50.2 -88.8 -27.4 -0.3 12.9 -9.7 98 113 A S H X S+ 0 0 54 -4,-2.3 4,-1.7 2,-0.2 3,-1.2 0.988 109.6 46.6 -57.3 -61.5 1.5 16.9 -2.7 103 118 A M H >X S+ 0 0 85 -4,-3.2 4,-1.7 1,-0.3 3,-1.1 0.949 116.0 48.0 -41.5 -60.5 2.7 13.9 -0.7 104 119 A E H 3X S+ 0 0 39 -4,-3.2 4,-0.6 1,-0.3 -1,-0.3 0.728 105.1 59.6 -55.2 -27.6 6.1 14.4 -2.3 105 120 A N H << S+ 0 0 110 -4,-2.0 4,-0.3 -3,-1.2 -1,-0.3 0.848 105.1 46.6 -75.8 -31.4 6.1 18.1 -1.5 106 121 A E H XX S+ 0 0 112 -4,-1.7 3,-4.1 -3,-1.1 4,-1.4 0.978 107.0 57.5 -69.6 -54.6 5.8 17.6 2.3 107 122 A L H 3< S+ 0 0 28 -4,-1.7 -38,-3.2 1,-0.3 -39,-0.8 0.706 107.0 50.9 -47.5 -22.7 8.5 15.0 2.3 108 123 A A T 3< S+ 0 0 50 -4,-0.6 -1,-0.3 -40,-0.2 -2,-0.2 0.574 102.7 60.9 -92.5 -10.7 10.8 17.6 0.8 109 124 A S T <4 S+ 0 0 63 -3,-4.1 -2,-0.2 -4,-0.3 -1,-0.1 0.902 97.8 63.1 -80.7 -42.4 9.8 20.1 3.5 110 125 A K < - 0 0 90 -4,-1.4 -42,-1.0 3,-0.0 -41,-0.3 -0.343 69.7-154.0 -80.9 163.4 11.2 18.1 6.4 111 126 A S B > -B 67 0B 11 -44,-0.2 4,-1.1 1,-0.1 -44,-0.2 -0.807 32.9-106.8-129.2 169.6 14.8 17.1 7.0 112 127 A L H >> S+ 0 0 0 -46,-1.8 4,-2.2 -49,-1.0 3,-1.1 0.955 125.2 51.0 -62.7 -45.9 16.5 14.3 8.9 113 128 A K H 34 S+ 0 0 121 -50,-2.3 -1,-0.2 1,-0.3 -49,-0.2 0.922 100.6 64.1 -54.8 -46.3 17.4 16.9 11.5 114 129 A D H 34 S+ 0 0 95 -51,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.818 108.0 39.9 -49.5 -35.7 13.8 17.9 11.6 115 130 A V H << S+ 0 0 67 -4,-1.1 2,-1.3 -3,-1.1 -1,-0.2 0.879 100.1 79.2 -84.7 -35.2 12.8 14.6 12.9 116 131 A M < 0 0 54 -4,-2.2 -1,-0.1 -5,-0.1 -4,-0.0 -0.558 360.0 360.0 -74.2 95.3 15.8 14.1 15.2 117 132 A N 0 0 161 -2,-1.3 -1,-0.1 -3,-0.0 -4,-0.0 -0.122 360.0 360.0-162.4 360.0 14.9 16.3 18.3