==== 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 TRANSCRIPTION REGULATOR 30-MAR-09 3GV0 . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR, LACI FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS STR.; . AUTHOR A.BAGARIA,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEARCH CEN . 269 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12044.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 16.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.1 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 . 1 0.4 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 . 13 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 32.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.2 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 1 1 0 1 1 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 7 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 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 . 0 0 0 0 2 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 65 A K 0 0 217 0, 0.0 61,-0.0 0, 0.0 60,-0.0 0.000 360.0 360.0 360.0 -33.7 23.2 61.7 -1.5 2 66 A T - 0 0 49 2,-0.1 3,-0.1 0, 0.0 58,-0.0 0.616 360.0-135.5-113.0 -24.3 24.8 58.3 -2.2 3 67 A N + 0 0 49 1,-0.2 33,-2.7 32,-0.1 2,-0.4 0.805 59.5 129.6 68.4 32.5 21.8 56.6 -3.9 4 68 A V E -a 36 0A 29 31,-0.2 58,-3.2 56,-0.1 59,-0.9 -0.965 42.5-162.6-119.7 133.1 22.2 53.4 -1.9 5 69 A I E -ab 37 63A 2 31,-2.5 33,-2.4 -2,-0.4 2,-0.5 -0.952 18.8-147.0-105.1 131.2 19.6 51.6 -0.0 6 70 A A E -ab 38 64A 3 57,-2.7 59,-2.7 -2,-0.5 2,-0.6 -0.877 10.4-163.8-105.3 129.2 21.0 49.1 2.5 7 71 A L E -ab 39 65A 3 31,-3.1 33,-2.4 -2,-0.5 2,-0.7 -0.927 6.8-172.8-109.5 117.0 19.4 45.9 3.4 8 72 A V E + b 0 66A 1 57,-2.3 59,-0.7 -2,-0.6 2,-0.4 -0.878 17.4 156.8-112.6 101.6 20.7 44.3 6.6 9 73 A L - 0 0 16 -2,-0.7 33,-0.6 31,-0.2 2,-0.1 -0.983 41.7-113.9-128.4 135.9 19.4 40.8 7.2 10 74 A S B -f 42 0B 24 -2,-0.4 2,-0.8 31,-0.2 33,-0.2 -0.358 32.9-115.5 -65.7 142.1 20.9 38.0 9.3 11 75 A V + 0 0 67 31,-2.3 2,-0.3 -2,-0.1 -1,-0.1 -0.719 43.8 173.3 -84.5 110.2 22.0 35.0 7.5 12 76 A D - 0 0 70 -2,-0.8 2,-0.5 32,-0.0 151,-0.1 -0.800 44.5 -99.1-111.1 156.5 19.9 32.0 8.5 13 77 A E + 0 0 112 -2,-0.3 2,-0.3 150,-0.1 179,-0.1 -0.647 60.3 167.9 -61.9 121.9 19.7 28.5 7.3 14 78 A E - 0 0 66 -2,-0.5 3,-0.2 178,-0.1 5,-0.0 -0.993 32.9-166.6-151.7 137.4 16.7 28.9 5.1 15 79 A L S S+ 0 0 89 -2,-0.3 -2,-0.0 1,-0.1 -1,-0.0 0.118 76.6 60.1-114.8 21.6 15.1 26.7 2.5 16 80 A X S S- 0 0 12 205,-0.0 -1,-0.1 203,-0.0 206,-0.1 0.343 102.8-104.5-135.9 11.4 12.7 28.8 0.7 17 81 A G > + 0 0 30 -3,-0.2 4,-2.3 3,-0.1 5,-0.3 0.840 57.0 157.9 75.2 33.2 14.5 31.7 -0.9 18 82 A F H > S+ 0 0 48 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.914 75.4 49.7 -54.0 -45.7 13.5 34.3 1.5 19 83 A T H > S+ 0 0 67 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.929 110.0 50.0 -66.1 -44.6 16.4 36.4 0.6 20 84 A S H > S+ 0 0 86 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.891 113.4 44.8 -58.2 -43.9 15.8 36.1 -3.1 21 85 A Q H X S+ 0 0 23 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.842 113.0 50.6 -74.0 -34.5 12.2 37.1 -2.8 22 86 A X H X S+ 0 0 3 -4,-2.2 4,-1.9 -5,-0.3 -2,-0.2 0.914 112.8 46.0 -64.7 -46.1 12.9 39.9 -0.5 23 87 A V H X S+ 0 0 44 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.911 110.9 53.9 -64.4 -43.0 15.5 41.3 -2.8 24 88 A F H X S+ 0 0 112 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.945 109.3 47.7 -56.1 -50.8 13.3 40.8 -5.8 25 89 A G H X S+ 0 0 0 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.855 111.2 50.1 -60.0 -39.8 10.5 42.8 -4.2 26 90 A I H X S+ 0 0 0 -4,-1.9 4,-1.2 2,-0.2 3,-0.5 0.918 109.8 49.9 -63.8 -46.1 12.8 45.7 -3.2 27 91 A T H X S+ 0 0 54 -4,-2.2 4,-1.8 1,-0.3 -2,-0.2 0.849 99.7 65.4 -69.8 -32.8 14.3 46.0 -6.6 28 92 A E H < S+ 0 0 82 -4,-2.0 4,-0.3 1,-0.2 -1,-0.3 0.918 108.8 41.1 -43.6 -50.8 10.9 46.1 -8.2 29 93 A V H < S+ 0 0 28 -4,-1.0 3,-0.3 -3,-0.5 -1,-0.2 0.770 117.5 46.5 -74.0 -25.5 10.4 49.4 -6.4 30 94 A L H >< S+ 0 0 7 -4,-1.2 3,-2.1 1,-0.2 5,-0.3 0.620 87.4 90.3 -92.4 -12.9 13.9 50.7 -6.9 31 95 A S T 3< S+ 0 0 92 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.716 87.2 46.8 -61.4 -29.8 14.0 49.9 -10.6 32 96 A T T 3 S+ 0 0 119 -3,-0.3 -1,-0.3 -4,-0.3 2,-0.2 0.201 109.4 75.8 -93.4 11.6 12.6 53.2 -11.8 33 97 A T S < S- 0 0 51 -3,-2.1 -3,-0.1 2,-0.2 -4,-0.0 -0.532 88.3-114.6-115.5-179.4 15.0 55.0 -9.5 34 98 A Q S S+ 0 0 155 -2,-0.2 2,-0.2 2,-0.1 -3,-0.1 0.472 77.2 117.0 -93.0 -5.6 18.6 55.9 -9.3 35 99 A Y - 0 0 43 -5,-0.3 2,-0.4 -31,-0.1 -31,-0.2 -0.434 50.5-153.5 -73.4 133.3 19.1 53.7 -6.2 36 100 A H E -a 4 0A 132 -33,-2.7 -31,-2.5 -2,-0.2 2,-0.5 -0.824 17.0-131.3 -92.5 142.2 21.3 50.7 -5.9 37 101 A L E -a 5 0A 40 -2,-0.4 2,-0.4 -33,-0.2 -31,-0.2 -0.815 23.1-175.0 -91.7 129.0 20.6 48.0 -3.4 38 102 A V E -a 6 0A 62 -33,-2.4 -31,-3.1 -2,-0.5 2,-0.5 -0.987 11.4-151.7-121.8 133.1 23.3 46.8 -1.2 39 103 A V E -a 7 0A 57 -2,-0.4 -31,-0.2 -33,-0.2 -33,-0.0 -0.898 8.2-171.3-103.5 130.5 23.0 43.9 1.2 40 104 A T - 0 0 20 -33,-2.4 -31,-0.2 -2,-0.5 2,-0.1 -0.929 15.9-164.0-119.8 104.9 25.1 43.8 4.4 41 105 A P - 0 0 78 0, 0.0 2,-0.3 0, 0.0 -31,-0.2 -0.427 13.8-164.5 -88.0 158.9 24.8 40.5 6.2 42 106 A H B -f 10 0B 16 -33,-0.6 -31,-2.3 -2,-0.1 6,-0.1 -0.990 9.1-156.4-135.0 147.0 25.6 39.3 9.6 43 107 A I S S+ 0 0 97 -2,-0.3 2,-0.3 -33,-0.2 -1,-0.1 0.850 72.6 51.6 -90.4 -37.8 25.9 35.8 10.7 44 108 A H S > S- 0 0 98 1,-0.1 3,-0.6 3,-0.1 -33,-0.1 -0.722 71.2-133.6-106.3 156.2 25.3 36.0 14.3 45 109 A A G > S+ 0 0 42 -2,-0.3 3,-1.3 1,-0.2 -1,-0.1 0.803 107.9 60.2 -68.4 -35.6 22.6 37.5 16.3 46 110 A K G 3 S+ 0 0 165 1,-0.3 3,-0.4 2,-0.1 -1,-0.2 0.711 100.5 57.9 -67.7 -18.5 25.1 39.0 18.6 47 111 A D G X + 0 0 45 -3,-0.6 3,-0.7 1,-0.2 -1,-0.3 0.051 69.3 114.2 -99.2 23.8 26.5 40.9 15.7 48 112 A S T < S+ 0 0 21 -3,-1.3 4,-0.4 1,-0.2 -1,-0.2 0.707 74.2 51.6 -73.6 -19.0 23.3 42.6 14.7 49 113 A X T 3> S+ 0 0 27 -3,-0.4 4,-2.0 1,-0.1 -1,-0.2 0.658 90.4 83.5 -87.2 -15.9 24.6 46.1 15.5 50 114 A V H <> S+ 0 0 73 -3,-0.7 4,-1.7 1,-0.2 -2,-0.2 0.890 90.4 43.7 -56.7 -50.5 27.7 45.6 13.4 51 115 A P H > S+ 0 0 7 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.845 112.6 54.6 -66.3 -32.0 26.3 46.4 10.0 52 116 A I H > S+ 0 0 0 -4,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.851 106.6 50.0 -66.4 -39.5 24.4 49.4 11.4 53 117 A R H X S+ 0 0 130 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.938 112.1 48.1 -64.4 -46.2 27.6 50.9 12.9 54 118 A Y H X S+ 0 0 129 -4,-1.7 4,-1.5 1,-0.2 -2,-0.2 0.913 113.1 47.4 -60.6 -46.4 29.4 50.5 9.6 55 119 A I H X>S+ 0 0 2 -4,-2.2 4,-1.4 1,-0.2 5,-0.6 0.904 117.5 41.6 -61.0 -43.9 26.6 52.1 7.6 56 120 A L H <5S+ 0 0 14 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.844 114.8 47.0 -79.3 -32.3 26.2 55.0 9.9 57 121 A E H <5S+ 0 0 150 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.802 126.9 32.3 -77.1 -28.6 29.9 55.8 10.6 58 122 A T H <5S- 0 0 85 -4,-1.5 -2,-0.2 -5,-0.3 -1,-0.2 0.598 90.6-156.5-100.1 -16.2 30.5 55.6 6.9 59 123 A G T <5 + 0 0 35 -4,-1.4 -3,-0.2 -5,-0.2 -4,-0.1 0.868 37.5 149.4 37.3 54.9 27.1 56.8 5.9 60 124 A S < + 0 0 43 -5,-0.6 2,-0.3 -6,-0.2 -1,-0.2 0.487 55.7 60.5 -91.4 -5.2 27.4 55.1 2.5 61 125 A A - 0 0 7 -6,-0.4 -56,-0.2 -58,-0.1 3,-0.1 -0.818 65.1-149.4-121.3 161.6 23.6 54.6 2.3 62 126 A D S S+ 0 0 24 -58,-3.2 2,-0.3 1,-0.3 -57,-0.2 0.569 84.8 9.9-102.8 -15.8 20.6 56.9 2.3 63 127 A G E -b 5 0A 0 -59,-0.9 -57,-2.7 21,-0.1 2,-0.4 -0.984 64.6-142.0-162.6 159.0 18.3 54.4 4.0 64 128 A V E -bc 6 86A 0 21,-1.6 23,-1.5 -2,-0.3 2,-0.5 -0.971 0.2-158.0-132.4 135.2 18.3 51.2 5.8 65 129 A I E -bc 7 87A 2 -59,-2.7 -57,-2.3 -2,-0.4 2,-0.3 -0.963 21.8-179.6-107.2 126.1 16.0 48.2 5.9 66 130 A I E -bc 8 88A 0 21,-1.9 23,-2.7 -2,-0.5 2,-0.2 -0.896 7.2-172.9-124.3 160.6 16.2 46.0 9.0 67 131 A S E + c 0 89A 25 -59,-0.7 23,-0.1 -2,-0.3 21,-0.0 -0.689 55.6 59.2-135.7-173.3 14.5 42.9 10.2 68 132 A K S S- 0 0 36 21,-0.5 2,-0.2 -2,-0.2 -1,-0.2 0.949 74.2-161.3 47.6 59.7 14.2 40.6 13.2 69 133 A I - 0 0 5 20,-0.5 65,-2.3 -3,-0.1 66,-0.4 -0.462 9.8-149.2 -78.7 132.6 13.0 43.4 15.3 70 134 A E > - 0 0 52 63,-0.2 3,-0.5 -2,-0.2 23,-0.3 -0.635 27.1-114.7 -92.8 159.7 13.1 43.2 19.1 71 135 A P T 3 S+ 0 0 37 0, 0.0 22,-2.6 0, 0.0 2,-0.6 0.919 119.2 31.5 -59.0 -43.1 10.6 45.0 21.3 72 136 A N T 3 S- 0 0 99 20,-0.2 22,-0.0 22,-0.1 20,-0.0 -0.819 91.3-174.8-111.5 87.0 13.4 47.2 22.6 73 137 A D X> - 0 0 0 -2,-0.6 4,-1.8 -3,-0.5 3,-0.5 -0.739 22.5-160.6 -97.0 114.4 15.6 47.4 19.5 74 138 A P H 3> S+ 0 0 55 0, 0.0 4,-2.6 0, 0.0 -1,-0.1 0.785 92.2 56.7 -63.2 -26.0 18.9 49.1 19.8 75 139 A R H 3> S+ 0 0 7 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.864 104.6 51.5 -73.0 -33.9 19.2 49.5 16.1 76 140 A V H <> S+ 0 0 0 -3,-0.5 4,-1.4 2,-0.2 -1,-0.2 0.940 115.2 43.0 -66.2 -44.0 15.9 51.4 15.9 77 141 A R H X S+ 0 0 101 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.928 112.2 53.7 -65.0 -47.8 17.1 53.7 18.6 78 142 A F H X S+ 0 0 47 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.929 114.3 39.4 -55.3 -49.7 20.5 54.1 17.1 79 143 A X H <>S+ 0 0 0 -4,-2.4 5,-2.0 1,-0.2 -1,-0.2 0.727 111.9 57.9 -77.0 -20.5 19.3 55.1 13.7 80 144 A T H ><5S+ 0 0 56 -4,-1.4 3,-0.9 -5,-0.2 -1,-0.2 0.904 107.6 48.2 -71.6 -39.3 16.5 57.2 15.2 81 145 A E H 3<5S+ 0 0 122 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.830 114.6 44.3 -67.9 -35.3 19.1 59.2 17.1 82 146 A R T 3<5S- 0 0 118 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.194 110.4-117.6 -99.0 18.6 21.3 59.7 14.1 83 147 A N T < 5 + 0 0 145 -3,-0.9 -3,-0.2 1,-0.2 -4,-0.1 0.808 58.0 153.8 50.4 38.7 18.6 60.6 11.7 84 148 A X < - 0 0 21 -5,-2.0 -1,-0.2 -6,-0.1 -2,-0.1 -0.870 45.4-125.5 -94.2 115.5 19.1 57.7 9.4 85 149 A P + 0 0 34 0, 0.0 -21,-1.6 0, 0.0 2,-0.3 -0.349 42.6 163.5 -58.7 138.3 15.9 56.9 7.7 86 150 A F E -c 64 0A 10 -23,-0.2 13,-0.6 161,-0.1 2,-0.3 -0.952 29.8-151.8-150.8 164.4 14.9 53.3 8.1 87 151 A V E -cd 65 99A 0 -23,-1.5 -21,-1.9 -2,-0.3 2,-0.4 -0.976 20.5-137.4-135.8 147.2 12.0 50.9 7.8 88 152 A T E -cd 66 100A 0 11,-1.8 13,-1.8 -2,-0.3 2,-0.9 -0.839 9.3-144.8-108.9 143.8 11.5 47.8 9.8 89 153 A H E S+cd 67 101A 17 -23,-2.7 -21,-0.5 -2,-0.4 -20,-0.5 -0.859 88.7 12.8 -99.1 93.4 10.4 44.4 8.7 90 154 A G S S- 0 0 7 11,-1.1 2,-0.3 -2,-0.9 11,-0.2 -0.783 94.1 -80.8 125.9-176.0 8.6 43.7 11.9 91 155 A R - 0 0 51 -2,-0.3 43,-0.3 -22,-0.2 2,-0.2 -0.901 25.3-155.9-130.6 153.0 7.6 45.8 14.8 92 156 A S - 0 0 24 -2,-0.3 -20,-0.2 4,-0.2 2,-0.1 -0.679 9.5-149.6-114.9 174.9 9.1 47.2 18.0 93 157 A D + 0 0 135 -22,-2.6 -2,-0.0 -23,-0.3 0, 0.0 -0.556 61.7 103.5-144.9 75.9 7.5 48.3 21.3 94 158 A X S S- 0 0 33 2,-0.2 3,-0.1 -2,-0.1 -1,-0.1 0.202 95.2 -90.6-146.4 11.6 9.6 51.0 22.6 95 159 A G S S+ 0 0 75 1,-0.2 2,-0.5 -3,-0.1 -2,-0.0 0.725 86.8 120.3 79.8 22.8 7.8 54.3 22.0 96 160 A I - 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