==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 20-JUL-05 2ADL . COMPND 2 MOLECULE: CCDA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR T.MADL,L.VANMELDEREN,M.OBERER,W.KELLER,L.KHATAI,K.ZANGGER . 144 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14115.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 70 48.6 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 . 6 4.2 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 . 1 0.7 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 . 19 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 22.2 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+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 1 0 0 0 0 0 0 0 2 0 0 0 0 0 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 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 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 1 A M 0 0 205 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -22.1 28.7 -19.6 -1.7 2 2 A K - 0 0 146 81,-0.1 2,-0.5 82,-0.1 81,-0.2 -0.937 360.0-146.9-131.9 154.7 26.6 -17.0 0.1 3 3 A Q - 0 0 75 79,-0.4 79,-2.1 -2,-0.3 2,-1.1 -0.974 11.5-145.9-125.1 118.8 25.7 -13.4 -0.5 4 4 A R E -A 81 0A 172 -2,-0.5 2,-0.6 77,-0.3 77,-0.2 -0.702 17.5-174.4 -87.8 100.7 25.2 -11.0 2.4 5 5 A I E -A 80 0A 9 -2,-1.1 75,-2.0 75,-0.6 2,-0.5 -0.824 8.0-179.3 -94.4 118.6 22.5 -8.6 1.4 6 6 A T E -A 79 0A 37 -2,-0.6 2,-1.0 73,-0.2 73,-0.2 -0.905 20.1-174.0-131.1 112.4 22.1 -6.0 4.1 7 7 A V E -A 78 0A 12 71,-1.6 2,-1.6 -2,-0.5 71,-0.7 -0.795 24.1-144.6 -99.7 90.6 19.7 -3.1 4.0 8 8 A T E +A 77 0A 63 -2,-1.0 69,-0.3 69,-0.2 4,-0.2 -0.366 39.3 159.9 -59.0 88.0 20.7 -1.1 7.1 9 9 A V + 0 0 1 67,-1.8 67,-0.2 -2,-1.6 -1,-0.1 0.814 26.7 131.9 -80.8-109.4 17.1 -0.1 8.0 10 10 A D S S+ 0 0 42 65,-0.2 -1,-0.1 1,-0.2 67,-0.1 0.111 97.7 38.4 74.6 -25.4 16.1 1.1 11.5 11 11 A S S S+ 0 0 97 65,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.670 104.0 75.4-118.2 -45.0 14.5 3.9 9.6 12 12 A D S > S- 0 0 67 -4,-0.2 3,-0.7 1,-0.1 4,-0.3 -0.040 100.1 -94.6 -64.6 171.2 13.1 2.2 6.5 13 13 A S T >> S+ 0 0 0 89,-0.4 3,-1.6 1,-0.2 4,-1.2 0.684 107.1 89.2 -66.1 -18.8 9.9 0.1 6.7 14 14 A Y H >> S+ 0 0 14 1,-0.3 4,-1.8 2,-0.2 3,-1.0 0.915 85.7 54.1 -40.0 -57.2 11.9 -3.2 7.1 15 15 A Q H <> S+ 0 0 55 -3,-0.7 4,-2.7 1,-0.3 -1,-0.3 0.792 98.9 64.1 -50.2 -33.8 11.8 -2.6 10.9 16 16 A L H <> S+ 0 0 32 -3,-1.6 4,-0.7 -4,-0.3 -1,-0.3 0.931 104.8 44.7 -58.4 -46.6 8.0 -2.3 10.7 17 17 A L H X< S+ 0 0 17 -4,-1.2 3,-0.9 -3,-1.0 4,-0.3 0.936 119.5 39.8 -63.1 -49.8 7.8 -5.9 9.6 18 18 A K H 3X S+ 0 0 67 -4,-1.8 4,-1.1 1,-0.3 3,-0.3 0.780 105.1 68.3 -71.8 -25.2 10.2 -7.3 12.1 19 19 A A H 3< S+ 0 0 54 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.2 0.761 120.3 19.9 -63.1 -24.1 8.7 -4.9 14.7 20 20 A Y T << S+ 0 0 126 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.221 150.5 4.2-127.9 9.6 5.7 -7.1 14.4 21 21 A D T 4 - 0 0 118 -4,-0.3 2,-3.7 -3,-0.3 -2,-0.2 0.053 62.8-157.8 166.6 66.0 7.1 -10.3 13.0 22 22 A V < + 0 0 96 -4,-1.1 -4,-0.2 1,-0.2 -7,-0.0 -0.270 65.9 104.3 -60.8 69.3 10.9 -10.4 12.5 23 23 A N + 0 0 136 -2,-3.7 -1,-0.2 -6,-0.1 -5,-0.0 -0.503 46.1 92.0-149.9 63.3 10.6 -13.1 9.9 24 24 A I > + 0 0 1 2,-0.1 4,-3.8 3,-0.1 6,-0.3 0.526 52.7 88.7-131.9 -27.6 11.1 -11.3 6.7 25 25 A S H > S+ 0 0 49 1,-0.3 4,-1.0 2,-0.3 5,-0.1 0.916 103.1 40.8 -42.3 -44.5 14.8 -11.5 6.0 26 26 A G H > S+ 0 0 34 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.874 110.9 58.2 -69.9 -35.1 13.8 -14.7 4.3 27 27 A L H >> S+ 0 0 37 2,-0.2 4,-3.7 1,-0.2 3,-0.7 0.899 93.8 66.9 -59.4 -43.0 10.8 -12.9 2.9 28 28 A V H 3X S+ 0 0 1 -4,-3.8 4,-0.9 1,-0.3 -1,-0.2 0.925 107.7 38.1 -41.9 -58.2 13.1 -10.4 1.3 29 29 A S H 3X S+ 0 0 7 -4,-1.0 4,-0.7 1,-0.2 -1,-0.3 0.698 114.5 58.7 -67.9 -19.6 14.3 -13.1 -1.0 30 30 A T H XX S+ 0 0 86 -4,-1.0 4,-1.7 -3,-0.7 3,-1.3 0.937 99.8 53.5 -75.1 -46.9 10.8 -14.4 -1.2 31 31 A T H 3X S+ 0 0 22 -4,-3.7 4,-1.5 1,-0.3 -1,-0.2 0.778 108.0 54.4 -56.9 -25.1 9.4 -11.2 -2.6 32 32 A M H 3X S+ 0 0 1 -4,-0.9 4,-3.5 -5,-0.4 -1,-0.3 0.736 99.9 59.9 -80.1 -25.6 12.1 -11.6 -5.2 33 33 A Q H S- 0 0 60 -4,-0.2 3,-0.8 1,-0.1 4,-0.3 -0.082 100.7 -95.9 -67.7 170.9 17.5 -17.3 -2.0 86 113 B S T >> S+ 0 0 21 -57,-0.2 3,-1.3 1,-0.2 4,-1.3 0.668 105.3 91.4 -65.6 -18.6 15.6 -15.3 -4.7 87 114 B Y H >> S+ 0 0 16 1,-0.3 4,-2.1 2,-0.2 3,-1.0 0.902 83.8 55.5 -39.9 -54.2 17.2 -12.0 -3.6 88 115 B Q H <> S+ 0 0 61 -3,-0.8 4,-3.7 1,-0.3 -1,-0.3 0.837 99.0 60.6 -50.2 -40.7 19.9 -12.7 -6.2 89 116 B L H <4 S+ 0 0 80 -3,-1.3 4,-0.3 -4,-0.3 -1,-0.3 0.887 109.4 42.8 -57.7 -39.4 17.4 -13.1 -9.0 90 117 B L H << S+ 0 0 9 -4,-1.3 3,-0.4 -3,-1.0 4,-0.3 0.891 121.8 38.6 -73.3 -42.3 16.2 -9.5 -8.4 91 118 B K H X S+ 0 0 42 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.765 110.1 60.6 -79.8 -25.8 19.7 -8.1 -8.0 92 119 B A T < S+ 0 0 76 -4,-3.7 -1,-0.2 -5,-0.3 -2,-0.2 0.603 123.0 24.4 -74.5 -12.0 21.0 -10.3 -10.7 93 120 B Y T 4 S+ 0 0 69 -3,-0.4 -2,-0.2 -4,-0.3 -1,-0.2 0.265 149.8 0.9-132.7 4.0 18.5 -8.5 -13.0 94 121 B D T 4 - 0 0 91 -4,-0.3 2,-3.5 0, 0.0 -2,-0.2 0.068 63.7-158.5 168.0 62.1 18.1 -5.2 -11.1 95 122 B V < + 0 0 101 -4,-1.2 -4,-0.2 1,-0.2 -7,-0.0 -0.251 63.3 107.4 -58.4 71.4 20.1 -4.9 -8.0 96 123 B N + 0 0 129 -2,-3.5 -1,-0.2 -6,-0.2 -5,-0.0 -0.551 43.9 93.5-149.4 65.8 17.8 -2.2 -6.6 97 124 B I > + 0 0 1 3,-0.1 4,-3.9 2,-0.1 6,-0.3 0.536 52.1 88.2-131.5 -31.5 16.0 -4.0 -3.9 98 125 B S H > S+ 0 0 61 1,-0.3 4,-1.1 2,-0.3 5,-0.1 0.913 104.7 37.2 -40.0 -50.3 17.9 -3.3 -0.7 99 126 B G H > S+ 0 0 34 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.909 113.5 59.3 -67.0 -39.6 15.7 -0.3 -0.4 100 127 B L H >> S+ 0 0 52 1,-0.2 4,-4.1 2,-0.2 3,-0.6 0.879 94.6 64.3 -53.9 -44.1 12.9 -2.3 -1.8 101 128 B V H 3X S+ 0 0 0 -4,-3.9 4,-1.6 1,-0.3 -1,-0.2 0.942 108.6 39.0 -46.2 -56.6 13.2 -4.7 1.1 102 129 B S H 3< S+ 0 0 2 -4,-1.1 4,-0.4 -3,-0.2 -89,-0.4 0.696 120.0 50.1 -67.4 -20.0 12.2 -2.0 3.5 103 130 B T H XX S+ 0 0 79 -4,-1.2 4,-1.9 -3,-0.6 3,-1.0 0.937 105.8 50.7 -83.6 -53.8 9.7 -0.7 1.0 104 131 B T H 3X S+ 0 0 28 -4,-4.1 4,-1.3 1,-0.3 -2,-0.2 0.857 112.5 50.0 -52.0 -36.3 7.9 -4.0 0.1 105 132 B M H 3X S+ 0 0 0 -4,-1.6 4,-3.1 -5,-0.5 -1,-0.3 0.766 103.2 61.9 -74.1 -24.9 7.5 -4.4 3.9 106 133 B Q H <> S+ 0 0 78 -3,-1.0 4,-3.6 -4,-0.4 5,-0.3 0.970 101.7 49.1 -64.0 -53.0 6.1 -0.9 4.1 107 134 B N H X S+ 0 0 91 -4,-1.9 4,-2.5 1,-0.3 -1,-0.2 0.891 117.7 42.3 -53.3 -38.1 3.2 -1.7 1.9 108 135 B E H X S+ 0 0 74 -4,-1.3 4,-1.8 -5,-0.3 -1,-0.3 0.868 110.2 58.7 -74.1 -35.9 2.7 -4.7 4.2 109 136 B A H < S+ 0 0 9 -4,-3.1 -2,-0.2 -6,-0.2 -3,-0.2 0.933 113.5 37.0 -57.4 -48.5 3.5 -2.4 7.1 110 137 B R H < S+ 0 0 186 -4,-3.6 -2,-0.2 1,-0.2 -1,-0.2 0.970 115.9 52.0 -66.0 -56.4 0.5 -0.2 6.2 111 138 B R H < S+ 0 0 169 -4,-2.5 2,-0.5 -5,-0.3 -1,-0.2 0.710 77.4 124.5 -54.2 -23.0 -1.7 -3.0 5.1 112 139 B L < + 0 0 81 -4,-1.8 -3,-0.1 1,-0.2 -4,-0.0 -0.181 20.9 134.0 -45.5 95.2 -1.0 -4.7 8.4 113 140 B R - 0 0 160 -2,-0.5 -1,-0.2 2,-0.1 4,-0.2 0.285 66.4-114.0-129.6 4.3 -4.6 -5.1 9.6 114 141 B A S > S- 0 0 69 2,-0.1 3,-0.7 -3,-0.0 -2,-0.0 0.859 70.1 -27.2 59.3 110.0 -4.5 -8.7 10.8 115 142 B E T 3 S- 0 0 163 1,-0.2 -2,-0.1 3,-0.0 0, 0.0 0.136 91.1 -74.1 46.9-170.3 -6.6 -11.1 8.7 116 143 B R T 3 S+ 0 0 211 2,-0.1 2,-0.4 1,-0.1 -1,-0.2 -0.054 106.5 91.0-108.9 30.0 -9.7 -9.8 6.8 117 144 B W < + 0 0 203 -3,-0.7 4,-0.1 -4,-0.2 -1,-0.1 -0.924 48.2 89.3-131.4 107.9 -11.8 -9.4 9.9 118 145 B K S S- 0 0 134 -2,-0.4 2,-0.3 2,-0.4 3,-0.1 0.207 89.9 -7.5-154.6 -69.4 -11.8 -6.1 11.8 119 146 B V S S- 0 0 98 1,-0.4 -2,-0.0 -3,-0.0 0, 0.0 -0.916 104.9 -32.3-151.1 119.8 -14.4 -3.4 10.7 120 147 B E S S- 0 0 161 -2,-0.3 -2,-0.4 2,-0.0 -1,-0.4 0.108 72.9 -96.1 60.4 178.1 -16.7 -3.4 7.7 121 148 B N - 0 0 153 1,-0.1 2,-0.1 -3,-0.1 -4,-0.0 -0.501 59.6 -42.3-118.9-171.5 -15.8 -5.1 4.4 122 149 B Q - 0 0 148 -2,-0.2 2,-0.2 1,-0.1 3,-0.1 -0.353 62.8-159.7 -58.2 123.3 -14.3 -4.0 1.0 123 150 B E + 0 0 124 1,-0.1 -1,-0.1 -2,-0.1 -3,-0.0 -0.499 57.1 75.2-100.9 172.3 -15.9 -0.7 -0.0 124 151 B G + 0 0 34 1,-0.2 2,-0.5 -2,-0.2 -1,-0.1 0.709 55.1 168.2 97.8 25.1 -16.2 0.9 -3.4 125 152 B M + 0 0 160 -3,-0.1 2,-0.4 2,-0.0 -1,-0.2 -0.603 4.4 172.1 -76.1 122.2 -18.9 -1.3 -4.9 126 153 B V - 0 0 114 -2,-0.5 -1,-0.0 1,-0.1 0, 0.0 -0.968 25.9-169.9-137.4 119.9 -20.4 0.2 -8.1 127 154 B E S S- 0 0 204 -2,-0.4 -1,-0.1 3,-0.0 2,-0.1 0.844 84.9 -3.6 -73.5 -34.7 -22.8 -1.5 -10.4 128 155 B V S S- 0 0 112 2,-0.0 -2,-0.1 0, 0.0 0, 0.0 0.071 85.4 -97.8-124.4-125.2 -22.4 1.2 -13.1 129 156 B A + 0 0 86 -2,-0.1 -3,-0.0 0, 0.0 0, 0.0 -0.008 47.5 168.4-163.5 40.0 -20.3 4.4 -13.2 130 157 B R - 0 0 202 1,-0.1 3,-0.1 2,-0.1 -2,-0.0 -0.197 15.5-173.6 -59.8 152.4 -22.7 7.3 -12.4 131 158 B F + 0 0 165 1,-0.1 2,-0.3 3,-0.0 3,-0.1 -0.126 52.2 99.9-141.9 38.7 -21.1 10.6 -11.6 132 159 B I + 0 0 124 1,-0.1 -1,-0.1 4,-0.0 3,-0.1 -0.683 26.4 152.5-129.9 79.1 -24.1 12.8 -10.5 133 160 B E S S- 0 0 155 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.811 75.6 -0.6 -75.0 -31.2 -24.2 13.0 -6.7 134 161 B M S S- 0 0 114 -3,-0.1 -1,-0.1 1,-0.1 4,-0.0 -0.859 72.2-106.1-146.8 180.0 -25.9 16.4 -6.9 135 162 B N S S- 0 0 173 -2,-0.3 -1,-0.1 -3,-0.1 -2,-0.0 0.775 79.4 -78.1 -83.6 -29.1 -27.3 19.0 -9.3 136 163 B G S S- 0 0 67 -3,-0.0 3,-0.1 -4,-0.0 -3,-0.0 0.024 99.1 -21.4 158.0 -36.6 -24.4 21.5 -8.6 137 164 B S S S- 0 0 96 1,-0.1 2,-0.3 0, 0.0 0, 0.0 0.223 109.9 -38.5-159.9 -57.2 -25.1 23.2 -5.3 138 165 B F - 0 0 160 3,-0.1 2,-1.4 -4,-0.0 -1,-0.1 -0.971 58.4 -85.8-175.2 166.3 -28.8 23.1 -4.2 139 166 B A S S+ 0 0 95 -2,-0.3 3,-0.1 1,-0.2 0, 0.0 -0.658 79.1 112.4 -88.8 85.4 -32.4 23.4 -5.4 140 167 B D S S+ 0 0 143 -2,-1.4 2,-0.2 1,-0.3 -1,-0.2 0.001 71.6 37.6-142.8 29.1 -33.0 27.1 -5.4 141 168 B E + 0 0 161 -3,-0.1 2,-0.3 0, 0.0 -1,-0.3 -0.845 53.3 170.6-178.7 140.7 -33.4 27.9 -9.1 142 169 B N + 0 0 134 -2,-0.2 -3,-0.0 -3,-0.1 0, 0.0 -0.966 22.3 136.6-160.2 141.8 -34.9 26.5 -12.2 143 170 B K - 0 0 125 -2,-0.3 -1,-0.1 2,-0.0 2,-0.0 0.023 35.4-157.5-179.1 42.5 -35.6 27.6 -15.8 144 171 B D 0 0 153 1,-0.1 -2,-0.0 0, 0.0 0, 0.0 -0.083 360.0 360.0 -38.5 98.4 -34.6 24.6 -17.9 145 172 B W 0 0 299 -2,-0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.939 360.0 360.0-124.0 360.0 -34.0 26.4 -21.3