==== 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 17-APR-07 2PKH . COMPND 2 MOLECULE: HISTIDINE UTILIZATION REPRESSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SYRINGAE PV. TOMATO; . AUTHOR K.TAN,M.ZHOU,S.CLANCY,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCT . 1132 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51224.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 891 78.7 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 . 506 44.7 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 . 16 1.4 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 . 106 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 106 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 155 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.4 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 9 15 0 0 0 0 0 0 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 . 2 0 2 0 0 16 0 0 2 22 8 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 4 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 1 109 A R 0 0 162 0, 0.0 39,-2.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 129.4 45.1 60.0 9.5 2 110 A H E +A 39 0A 117 37,-0.2 2,-0.3 38,-0.1 37,-0.2 -0.773 360.0 166.1 -80.6 129.3 46.3 63.6 9.6 3 111 A T E -A 38 0A 64 35,-1.7 35,-3.3 -2,-0.5 2,-0.3 -0.902 13.7-164.7-131.7 166.0 49.7 64.0 11.1 4 112 A C E -A 37 0A 28 -2,-0.3 2,-0.4 33,-0.3 33,-0.2 -0.983 9.1-152.4-147.5 160.2 52.2 66.9 11.1 5 113 A K E -A 36 0A 127 31,-2.4 31,-2.7 -2,-0.3 2,-0.8 -0.998 17.5-136.4-136.1 123.9 55.9 67.5 11.9 6 114 A V E +A 35 0A 47 -2,-0.4 29,-0.2 29,-0.2 3,-0.1 -0.772 27.4 176.0 -78.0 109.5 57.3 70.9 13.0 7 115 A X E + 0 0 96 27,-2.9 2,-0.4 -2,-0.8 28,-0.2 0.828 64.6 17.9 -90.6 -34.2 60.5 71.1 10.9 8 116 A V E +A 34 0A 37 26,-1.6 26,-2.1 2,-0.0 -1,-0.3 -0.994 53.1 162.3-139.0 142.7 61.6 74.6 12.0 9 117 A L E +A 33 0A 58 -2,-0.4 2,-0.3 24,-0.2 24,-0.2 -0.590 36.6 123.5-155.9 93.1 60.7 76.8 15.0 10 118 A K E -A 32 0A 99 22,-2.3 22,-3.0 -2,-0.1 2,-0.3 -0.960 58.0-105.2-150.5 161.6 63.3 79.5 15.5 11 119 A E E +A 31 0A 89 -2,-0.3 2,-0.3 20,-0.2 20,-0.2 -0.703 44.6 158.9 -84.7 138.2 64.0 83.2 15.8 12 120 A E E -A 30 0A 33 18,-3.0 18,-3.2 -2,-0.3 2,-0.2 -0.906 45.1 -85.9-147.9 175.6 65.6 85.0 12.8 13 121 A A E -A 29 0A 38 -2,-0.3 16,-0.2 16,-0.2 14,-0.2 -0.568 38.4-123.2 -79.0 152.1 66.1 88.5 11.3 14 122 A A > - 0 0 1 14,-2.6 4,-1.0 11,-0.3 3,-0.3 0.936 45.8-174.4 -61.5 -40.6 63.2 89.6 9.0 15 123 A G H > - 0 0 23 11,-2.5 4,-1.9 13,-0.2 9,-0.1 -0.144 47.5 -50.8 61.5-168.9 65.6 90.2 6.1 16 124 A S H > S+ 0 0 26 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.809 134.0 47.9 -74.5 -32.0 64.5 91.7 2.9 17 125 A E H > S+ 0 0 31 -3,-0.3 4,-2.8 2,-0.2 3,-0.4 0.952 116.2 41.0 -78.7 -48.6 61.5 89.4 2.1 18 126 A R H X S+ 0 0 51 -4,-1.0 4,-2.7 1,-0.2 6,-0.3 0.854 107.8 63.8 -66.0 -26.7 59.8 89.6 5.5 19 127 A A H X>S+ 0 0 1 -4,-1.9 5,-1.3 -5,-0.2 4,-0.7 0.911 111.2 38.0 -58.4 -38.9 60.6 93.3 5.6 20 128 A L H <5S+ 0 0 46 -4,-1.1 3,-0.3 -3,-0.4 -2,-0.2 0.906 118.3 47.9 -78.3 -44.0 58.3 93.6 2.5 21 129 A A H <5S+ 0 0 11 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.872 126.1 26.6 -60.3 -43.4 55.7 91.0 3.6 22 130 A L H <5S- 0 0 0 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.360 101.6-117.9-111.5 11.7 55.3 92.4 7.2 23 131 A D T <5S+ 0 0 65 -4,-0.7 2,-0.2 -3,-0.3 -3,-0.2 0.954 70.0 137.1 48.5 55.1 56.3 96.1 6.8 24 132 A X < - 0 0 2 -5,-1.3 -1,-0.2 -6,-0.3 2,-0.2 -0.781 62.0 -97.1-121.8 163.8 59.2 95.5 9.2 25 133 A R > - 0 0 51 819,-0.4 3,-1.0 -2,-0.2 -11,-0.3 -0.534 38.5-115.0 -78.0 154.3 62.9 96.7 9.2 26 134 A E T 3 S+ 0 0 14 1,-0.2 -11,-2.5 -2,-0.2 818,-0.1 0.714 115.0 49.7 -62.9 -21.0 65.3 94.1 7.8 27 135 A G T 3 S+ 0 0 28 816,-0.3 -1,-0.2 -14,-0.2 817,-0.2 0.520 83.8 110.7 -98.1 -8.1 67.0 93.7 11.2 28 136 A Q S < S- 0 0 18 -3,-1.0 -14,-2.6 815,-0.2 2,-0.3 -0.384 73.4-111.9 -64.3 146.9 63.8 93.3 13.2 29 137 A R E -A 13 0A 114 -16,-0.2 24,-1.3 -15,-0.1 25,-0.3 -0.616 34.7-176.9 -91.2 142.7 63.4 89.8 14.6 30 138 A V E -AB 12 52A 0 -18,-3.2 -18,-3.0 -2,-0.3 2,-0.4 -0.913 24.6-125.0-126.9 162.0 60.8 87.4 13.6 31 139 A F E -AB 11 51A 14 20,-2.7 20,-2.2 -2,-0.3 2,-0.5 -0.856 27.1-161.0-100.8 144.6 59.7 83.9 14.6 32 140 A H E -AB 10 50A 21 -22,-3.0 -22,-2.3 -2,-0.4 2,-0.4 -0.991 10.9-179.7-133.3 120.8 59.6 81.3 11.8 33 141 A S E -AB 9 49A 0 16,-2.0 16,-3.2 -2,-0.5 2,-0.5 -0.983 6.0-172.0-113.3 142.3 57.8 78.0 11.9 34 142 A L E +AB 8 48A 21 -26,-2.1 -27,-2.9 -2,-0.4 -26,-1.6 -0.984 12.4 178.1-130.6 120.2 57.8 75.5 9.1 35 143 A I E -AB 6 47A 0 12,-2.3 12,-2.8 -2,-0.5 2,-0.5 -0.977 17.8-150.8-126.6 135.0 55.3 72.6 9.5 36 144 A V E -AB 5 46A 2 -31,-2.7 -31,-2.4 -2,-0.4 2,-0.4 -0.932 12.3-155.0-109.5 130.6 54.7 69.7 7.1 37 145 A H E -AB 4 45A 24 8,-2.7 7,-3.1 -2,-0.5 8,-1.5 -0.871 11.6-164.0-105.1 137.7 51.2 68.2 7.2 38 146 A F E -AB 3 43A 28 -35,-3.3 -35,-1.7 -2,-0.4 2,-0.5 -0.886 17.7-154.0-123.0 151.3 50.7 64.6 6.0 39 147 A E E > S-AB 2 42A 104 3,-3.0 3,-1.5 -2,-0.3 -37,-0.2 -0.979 88.2 -23.6-123.6 112.6 47.7 62.4 5.1 40 148 A N T 3 S- 0 0 89 -39,-2.9 -1,-0.1 -2,-0.5 -38,-0.1 0.919 129.5 -45.2 52.6 51.1 48.4 58.8 5.7 41 149 A D T 3 S+ 0 0 112 -40,-0.3 -1,-0.3 1,-0.2 -39,-0.1 0.295 117.9 110.8 85.3 -13.2 52.3 59.2 5.5 42 150 A I E < S-B 39 0A 85 -3,-1.5 -3,-3.0 90,-0.0 -1,-0.2 -0.878 72.0-120.5-107.1 120.1 52.0 61.4 2.4 43 151 A P E +B 38 0A 1 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.360 36.7 165.5 -59.1 134.5 52.9 65.1 2.6 44 152 A V E + 0 0 12 -7,-3.1 2,-0.3 1,-0.4 -6,-0.2 0.501 59.7 18.7-122.8 -16.3 50.0 67.4 1.5 45 153 A Q E -B 37 0A 38 -8,-1.5 -8,-2.7 83,-0.2 2,-0.5 -0.972 47.6-155.2-159.5 135.6 51.0 70.8 2.8 46 154 A I E -BC 36 127A 0 81,-1.9 81,-2.6 -2,-0.3 2,-0.7 -0.990 14.6-163.5-102.5 125.6 54.0 73.0 3.9 47 155 A E E -BC 35 126A 11 -12,-2.8 -12,-2.3 -2,-0.5 2,-0.7 -0.940 8.3-177.0-104.6 107.0 53.0 75.8 6.1 48 156 A D E -BC 34 125A 18 77,-3.1 77,-2.6 -2,-0.7 2,-0.3 -0.907 14.5-178.5-107.1 106.3 55.9 78.2 6.2 49 157 A R E -BC 33 124A 8 -16,-3.2 -16,-2.0 -2,-0.7 2,-0.4 -0.814 19.7-167.4-121.1 139.6 55.0 80.9 8.6 50 158 A F E -BC 32 123A 11 73,-2.8 73,-2.3 -2,-0.3 2,-0.4 -0.967 11.7-171.2-121.9 140.1 56.7 84.2 9.8 51 159 A V E -BC 31 122A 0 -20,-2.2 -20,-2.7 -2,-0.4 2,-0.4 -0.998 33.3-109.5-135.5 136.1 55.5 86.2 12.8 52 160 A N E >> -B 30 0A 5 69,-2.5 3,-1.3 -2,-0.4 4,-1.3 -0.514 31.2-145.8 -61.2 120.4 56.4 89.6 14.2 53 161 A A T 34 S+ 0 0 14 -24,-1.3 -1,-0.2 -2,-0.4 6,-0.2 0.689 94.3 57.4 -76.4 -17.4 58.2 88.5 17.4 54 162 A Q T 34 S+ 0 0 104 -25,-0.3 -1,-0.3 1,-0.1 -2,-0.1 0.750 105.0 51.8 -78.4 -22.5 57.0 91.5 19.4 55 163 A V T <4 S+ 0 0 33 -3,-1.3 -2,-0.2 1,-0.3 -1,-0.1 0.843 124.7 23.9 -82.5 -35.1 53.4 90.6 18.7 56 164 A A S >< S+ 0 0 1 -4,-1.3 3,-2.2 1,-0.1 -1,-0.3 -0.599 70.0 172.0-132.2 65.8 53.6 87.0 19.9 57 165 A P T 3 S+ 0 0 84 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.714 79.3 48.3 -56.8 -20.5 56.6 86.9 22.3 58 166 A D T > S+ 0 0 70 1,-0.2 3,-1.4 2,-0.1 4,-0.3 0.151 73.6 112.8-105.9 18.9 55.9 83.3 23.4 59 167 A Y G X S+ 0 0 0 -3,-2.2 3,-1.3 1,-0.3 -1,-0.2 0.845 73.6 57.1 -60.8 -39.9 55.5 81.8 19.9 60 168 A L G 3 S+ 0 0 60 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.608 97.7 63.5 -65.9 -15.0 58.6 79.6 20.2 61 169 A K G < S+ 0 0 159 -3,-1.4 -1,-0.2 2,-0.1 2,-0.2 0.496 84.5 103.0 -88.2 -4.8 57.3 78.0 23.3 62 170 A Q < - 0 0 55 -3,-1.3 2,-0.9 -4,-0.3 -3,-0.0 -0.491 67.3-137.2 -86.7 151.0 54.3 76.3 21.7 63 171 A D > - 0 0 87 -2,-0.2 3,-1.5 1,-0.1 4,-0.4 -0.867 19.8-170.9-100.7 100.6 53.8 72.7 20.6 64 172 A F T 3 S+ 0 0 7 -2,-0.9 -1,-0.1 1,-0.3 -59,-0.0 0.284 76.4 74.6 -81.4 9.0 52.2 73.2 17.2 65 173 A T T 3 S+ 0 0 73 1,-0.1 -1,-0.3 3,-0.1 3,-0.1 0.569 103.0 44.6 -82.2 -11.7 51.3 69.5 16.8 66 174 A L S < S+ 0 0 141 -3,-1.5 2,-0.3 1,-0.4 -2,-0.2 0.604 128.7 9.1-106.2 -18.9 48.6 70.3 19.3 67 175 A Q S S- 0 0 54 -4,-0.4 -1,-0.4 0, 0.0 -5,-0.0 -0.936 83.4-106.4-159.9 142.8 47.2 73.6 18.0 68 176 A T > - 0 0 72 -2,-0.3 4,-2.2 -3,-0.1 5,-0.2 -0.380 27.2-117.4 -73.9 152.0 47.9 75.4 14.7 69 177 A P H > S+ 0 0 1 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.916 116.7 52.2 -48.0 -45.0 50.0 78.6 14.6 70 178 A Y H > S+ 0 0 67 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.912 108.8 48.9 -64.9 -40.5 47.0 80.6 13.3 71 179 A A H > S+ 0 0 19 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.892 113.9 46.9 -67.5 -37.0 44.8 79.3 16.2 72 180 A Y H >X S+ 0 0 17 -4,-2.2 4,-1.3 2,-0.2 3,-0.7 0.897 111.9 49.5 -63.5 -48.9 47.5 80.2 18.8 73 181 A L H 3X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 3,-0.4 0.903 103.5 61.6 -63.3 -37.0 48.0 83.7 17.2 74 182 A S H 3< S+ 0 0 46 -4,-2.5 5,-0.2 1,-0.2 -1,-0.2 0.785 105.5 47.6 -53.6 -33.4 44.2 84.2 17.3 75 183 A Q H << S+ 0 0 79 -3,-0.7 -1,-0.2 -4,-0.7 -2,-0.2 0.742 112.9 47.6 -80.5 -29.7 44.3 83.9 21.1 76 184 A V H < S+ 0 0 60 -4,-1.3 -2,-0.2 -3,-0.4 -3,-0.1 0.805 122.7 16.6 -87.4 -28.0 47.3 86.3 21.5 77 185 A A S < S- 0 0 10 -4,-2.2 2,-0.5 352,-0.1 -1,-0.2 -0.989 82.9-104.6-140.8 147.2 46.2 89.2 19.3 78 186 A P - 0 0 45 0, 0.0 2,-0.8 0, 0.0 39,-0.1 -0.644 36.0-151.4 -67.3 118.0 42.8 90.3 17.8 79 187 A L + 0 0 22 -2,-0.5 37,-0.2 -5,-0.2 3,-0.1 -0.874 25.1 168.3-100.0 112.4 43.3 89.2 14.2 80 188 A T + 0 0 44 35,-1.8 204,-2.1 -2,-0.8 2,-0.3 0.574 54.1 22.2-105.5 -11.4 41.1 91.7 12.2 81 189 A E E -DE 115 283A 26 34,-1.2 34,-2.6 202,-0.3 2,-0.3 -0.989 56.8-169.8-164.0 139.2 42.0 91.3 8.5 82 190 A G E -DE 114 282A 1 200,-2.4 200,-2.4 -2,-0.3 2,-0.3 -0.977 7.8-154.9-139.4 153.0 43.5 88.7 6.2 83 191 A E E -DE 113 281A 27 30,-2.6 30,-1.7 -2,-0.3 2,-0.4 -0.940 9.2-167.1-127.4 145.2 44.8 88.6 2.6 84 192 A H E -DE 112 280A 61 196,-3.2 196,-2.2 -2,-0.3 2,-0.4 -0.999 6.3-174.0-136.3 136.3 45.0 85.5 0.4 85 193 A V E -DE 111 279A 2 26,-1.8 26,-3.1 -2,-0.4 2,-0.5 -0.997 9.5-161.9-129.0 127.8 46.8 85.1 -2.9 86 194 A V E +DE 110 278A 13 192,-2.6 192,-2.0 -2,-0.4 2,-0.3 -0.964 19.9 163.3-115.0 117.7 46.4 81.8 -4.7 87 195 A E E -D 109 0A 0 22,-2.2 22,-3.0 -2,-0.5 2,-0.6 -0.956 38.8-128.3-130.3 152.3 49.0 81.0 -7.4 88 196 A A E +D 108 0A 2 188,-0.4 2,-0.2 -2,-0.3 20,-0.2 -0.913 49.1 156.3 -98.2 119.7 50.0 77.9 -9.3 89 197 A I E -D 107 0A 11 18,-2.5 18,-3.0 -2,-0.6 2,-0.4 -0.806 47.8-109.8-133.6 168.5 53.9 77.6 -8.9 90 198 A L - 0 0 71 -2,-0.2 2,-0.1 16,-0.2 14,-0.1 -0.933 45.4-124.4 -99.4 140.4 56.8 75.3 -9.0 91 199 A A - 0 0 10 14,-0.5 2,-0.0 -2,-0.4 14,-0.0 -0.371 25.4 -94.0 -88.3 160.7 58.2 74.8 -5.5 92 200 A E >> - 0 0 117 1,-0.1 4,-2.5 -2,-0.1 3,-0.6 -0.355 42.6-104.0 -68.5 156.9 61.8 75.5 -4.4 93 201 A A H 3> S+ 0 0 62 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.843 121.2 48.3 -53.6 -43.2 64.1 72.4 -4.3 94 202 A D H 3> S+ 0 0 113 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.875 111.0 50.6 -69.3 -33.9 64.0 72.0 -0.6 95 203 A E H <> S+ 0 0 21 -3,-0.6 4,-2.1 2,-0.2 -2,-0.2 0.902 107.1 53.9 -68.5 -44.3 60.2 72.3 -0.5 96 204 A C H X>S+ 0 0 5 -4,-2.5 5,-2.3 1,-0.2 4,-0.7 0.913 109.2 50.4 -54.6 -43.3 59.9 69.6 -3.2 97 205 A K H ><5S+ 0 0 166 -4,-1.8 3,-0.8 -5,-0.2 -2,-0.2 0.938 110.2 47.8 -58.5 -50.1 62.1 67.4 -1.0 98 206 A L H 3<5S+ 0 0 45 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.816 116.7 44.1 -58.6 -35.6 59.9 68.0 2.1 99 207 A L H 3<5S- 0 0 0 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.494 107.7-125.5 -88.6 -6.6 56.7 67.2 0.0 100 208 A Q T <<5 + 0 0 124 -3,-0.8 2,-0.3 -4,-0.7 -3,-0.2 0.964 65.2 131.9 56.2 55.0 58.2 64.2 -1.7 101 209 A I < - 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