==== 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 REGULATORY PROTEIN 09-NOV-07 3BBL . COMPND 2 MOLECULE: REGULATORY PROTEIN OF LACI FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: CHLOROFLEXUS AGGREGANS; . AUTHOR D.KUMARAN,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEARCH CEN . 281 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13460.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 2.1 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 . 2 0.7 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 . 27 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 31.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 3.2 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 0 0 0 0 2 0 0 0 1 1 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 5 3 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 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 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 62 A L 0 0 123 0, 0.0 61,-0.0 0, 0.0 63,-0.0 0.000 360.0 360.0 360.0 139.7 69.1 36.3 22.1 2 63 A S - 0 0 36 2,-0.2 3,-0.1 0, 0.0 60,-0.0 0.577 360.0-135.8 -93.7 -13.8 69.7 34.0 25.0 3 64 A F + 0 0 87 1,-0.2 35,-2.0 34,-0.1 2,-0.4 0.841 64.6 119.9 59.9 35.2 73.4 34.8 24.9 4 65 A X E -a 38 0A 51 33,-0.2 60,-2.5 36,-0.0 61,-0.8 -0.996 49.3-158.1-135.9 134.1 74.2 31.2 25.4 5 66 A I E -ab 39 65A 1 33,-3.0 35,-3.6 -2,-0.4 2,-0.3 -0.943 19.5-135.8-112.0 122.4 76.2 28.8 23.2 6 67 A G E +ab 40 66A 0 59,-2.8 61,-2.1 -2,-0.5 2,-0.3 -0.579 28.3 173.3 -80.3 138.0 75.6 25.1 23.6 7 68 A Y E +ab 41 67A 9 33,-2.0 35,-1.8 -2,-0.3 2,-0.3 -0.990 9.8 175.6-143.3 150.4 78.5 22.7 23.7 8 69 A S - 0 0 0 59,-0.5 61,-0.4 -2,-0.3 2,-0.3 -0.987 11.2-155.1-150.7 151.8 79.1 19.0 24.3 9 70 A W - 0 0 88 -2,-0.3 35,-0.3 33,-0.3 3,-0.1 -0.975 25.4-104.8-134.9 148.5 82.1 16.7 24.2 10 71 A T - 0 0 33 -2,-0.3 2,-0.2 1,-0.1 60,-0.0 -0.307 51.3 -89.0 -66.8 150.5 82.6 13.0 23.7 11 72 A Q - 0 0 131 1,-0.1 2,-0.3 33,-0.0 -1,-0.1 -0.438 42.8-121.0 -64.5 124.8 83.5 10.9 26.7 12 73 A T - 0 0 51 -2,-0.2 -1,-0.1 -3,-0.1 7,-0.0 -0.527 29.0-118.3 -70.0 124.4 87.3 10.8 27.2 13 74 A E > - 0 0 104 -2,-0.3 3,-1.5 1,-0.1 2,-0.9 -0.304 28.1-110.0 -60.9 141.6 88.5 7.2 27.1 14 75 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.670 108.3 39.4 -76.6 111.9 90.1 6.1 30.3 15 76 A G T 3 S+ 0 0 64 -2,-0.9 2,-0.5 1,-0.3 153,-0.3 0.384 78.7 128.1 130.2 0.7 93.7 5.8 29.2 16 77 A Q < - 0 0 37 -3,-1.5 -1,-0.3 1,-0.1 151,-0.1 -0.794 46.1-154.5 -94.2 125.7 94.2 8.7 26.9 17 78 A V S S+ 0 0 45 -2,-0.5 2,-0.4 207,-0.0 -1,-0.1 0.747 73.7 68.3 -67.5 -28.9 97.2 11.0 27.7 18 79 A N + 0 0 26 206,-0.1 2,-0.3 2,-0.0 -2,-0.1 -0.801 49.4 175.5-104.7 140.1 95.7 14.1 26.1 19 80 A H > + 0 0 102 -2,-0.4 3,-0.7 1,-0.1 4,-0.4 -0.778 6.4 168.9-138.7 88.1 92.7 16.2 27.3 20 81 A I T 3> + 0 0 55 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.301 58.4 96.0 -83.8 9.6 92.2 19.3 25.2 21 82 A L H 3>>S+ 0 0 55 1,-0.2 4,-2.9 2,-0.2 5,-0.5 0.943 84.8 50.4 -61.8 -45.1 88.8 19.9 26.9 22 83 A D H <>5S+ 0 0 111 -3,-0.7 4,-1.5 2,-0.2 5,-0.3 0.901 113.7 42.6 -59.4 -46.2 90.5 22.2 29.2 23 84 A Q H >5S+ 0 0 90 -4,-0.4 4,-1.6 3,-0.2 -2,-0.2 0.943 121.2 40.8 -66.8 -48.5 92.3 24.2 26.5 24 85 A F H X5S+ 0 0 4 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.951 121.0 38.4 -65.7 -55.4 89.2 24.4 24.2 25 86 A L H X5S+ 0 0 32 -4,-2.9 4,-3.2 -5,-0.3 5,-0.2 0.909 115.4 52.1 -67.1 -43.5 86.4 25.0 26.7 26 87 A S H X<>S+ 0 0 0 -4,-3.3 5,-2.9 1,-0.2 3,-1.5 0.959 110.1 54.5 -60.1 -50.8 82.3 34.2 25.1 33 94 A G H ><5S+ 0 0 41 -4,-2.2 3,-2.0 -5,-0.3 -1,-0.2 0.859 100.0 60.3 -50.9 -41.1 82.4 36.0 28.4 34 95 A A H 3<5S+ 0 0 77 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.799 112.7 38.1 -60.4 -29.1 84.3 38.9 26.9 35 96 A V T <<5S- 0 0 67 -3,-1.5 -1,-0.3 -4,-0.9 -2,-0.2 -0.010 125.9-100.3-110.2 27.1 81.3 39.5 24.5 36 97 A N T < 5S+ 0 0 127 -3,-2.0 2,-0.3 1,-0.2 -3,-0.3 0.744 81.1 127.2 63.1 30.1 78.7 38.7 27.1 37 98 A Y < - 0 0 1 -5,-2.9 2,-0.3 -6,-0.1 -33,-0.2 -0.795 44.3-149.8-113.5 158.4 78.0 35.1 26.1 38 99 A F E -a 4 0A 144 -35,-2.0 -33,-3.0 -2,-0.3 2,-0.5 -0.929 15.1-128.6-123.6 150.5 78.0 31.9 28.2 39 100 A V E -a 5 0A 19 -2,-0.3 -33,-0.2 -35,-0.2 -35,-0.0 -0.866 20.1-154.5 -98.2 130.1 78.8 28.4 27.0 40 101 A L E -a 6 0A 48 -35,-3.6 -33,-2.0 -2,-0.5 2,-0.1 -0.881 6.5-152.8-110.8 104.0 76.1 25.9 28.0 41 102 A P E -a 7 0A 65 0, 0.0 -33,-0.2 0, 0.0 -35,-0.1 -0.474 16.2-178.9 -72.9 142.8 77.4 22.4 28.4 42 103 A F - 0 0 16 -35,-1.8 -33,-0.3 -2,-0.1 -2,-0.0 -0.968 39.5 -78.1-139.0 152.9 74.9 19.6 27.8 43 104 A P - 0 0 107 0, 0.0 2,-0.2 0, 0.0 10,-0.1 -0.236 47.1-127.0 -54.0 133.8 75.3 15.8 28.0 44 105 A F - 0 0 35 -35,-0.3 2,-0.8 9,-0.0 3,-0.1 -0.586 11.0-137.9 -82.8 143.7 76.9 14.3 24.9 45 106 A S - 0 0 34 -2,-0.2 5,-0.1 1,-0.2 -35,-0.1 -0.899 5.0-156.8-104.6 107.5 75.2 11.4 23.1 46 107 A E S S+ 0 0 90 -2,-0.8 2,-1.3 1,-0.2 -1,-0.2 0.812 90.1 68.3 -53.1 -29.7 77.8 8.8 22.2 47 108 A D S > S- 0 0 76 1,-0.2 3,-2.1 -3,-0.1 -1,-0.2 -0.770 78.2-164.5 -90.3 92.3 75.3 7.8 19.5 48 109 A R T 3 S+ 0 0 45 -2,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.680 80.9 70.8 -53.0 -20.0 75.7 10.9 17.4 49 110 A S T 3 S+ 0 0 66 1,-0.1 2,-1.3 27,-0.1 -1,-0.3 0.849 77.3 86.0 -67.6 -33.4 72.5 10.0 15.5 50 111 A Q < + 0 0 112 -3,-2.1 3,-0.3 1,-0.2 -1,-0.1 -0.560 49.9 162.9 -72.9 96.6 70.4 10.7 18.6 51 112 A I >> + 0 0 27 -2,-1.3 4,-2.2 1,-0.2 3,-0.6 0.181 34.6 114.8-100.6 13.8 69.9 14.5 18.2 52 113 A D H 3> S+ 0 0 102 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.912 74.2 54.1 -49.3 -51.1 67.0 14.8 20.6 53 114 A I H 3> S+ 0 0 49 -3,-0.3 4,-2.3 1,-0.2 -1,-0.3 0.837 108.7 49.4 -55.6 -36.0 68.9 17.0 23.0 54 115 A Y H <> S+ 0 0 6 -3,-0.6 4,-1.8 2,-0.2 -1,-0.2 0.924 110.1 51.3 -68.8 -42.5 69.7 19.4 20.1 55 116 A R H X S+ 0 0 82 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.904 112.3 47.4 -58.6 -44.1 66.0 19.4 19.2 56 117 A D H X S+ 0 0 86 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.929 109.7 50.6 -65.0 -48.8 65.1 20.2 22.8 57 118 A L H <>S+ 0 0 17 -4,-2.3 5,-0.8 1,-0.2 6,-0.8 0.812 107.6 55.3 -62.8 -30.8 67.6 23.0 23.3 58 119 A I H ><5S+ 0 0 35 -4,-1.8 3,-1.1 1,-0.2 -1,-0.2 0.968 113.2 37.1 -69.2 -52.9 66.6 24.8 20.1 59 120 A R H 3<5S+ 0 0 187 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.644 108.1 64.9 -76.9 -10.4 62.9 25.1 20.9 60 121 A S T 3<5S- 0 0 57 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.622 100.9-137.0 -81.5 -12.3 63.5 25.8 24.6 61 122 A G T < 5 + 0 0 43 -3,-1.1 -3,-0.1 -4,-0.4 -2,-0.1 0.629 65.1 130.0 67.0 13.2 65.2 28.9 23.4 62 123 A N < + 0 0 86 -5,-0.8 2,-0.3 1,-0.1 -4,-0.1 0.650 68.5 31.8 -73.3 -15.7 68.0 28.3 25.9 63 124 A V - 0 0 3 -6,-0.8 -58,-0.2 -5,-0.2 -2,-0.1 -0.982 55.2-155.0-142.0 153.7 70.8 28.8 23.3 64 125 A D S S- 0 0 19 -60,-2.5 2,-0.3 -2,-0.3 -59,-0.2 0.532 81.0 -9.3-101.7 -11.3 71.3 30.8 20.1 65 126 A G E -b 5 0A 0 -61,-0.8 -59,-2.8 21,-0.1 2,-0.3 -0.988 61.6-122.0-173.1 171.7 73.8 28.4 18.6 66 127 A F E -bc 6 88A 0 21,-1.5 23,-2.2 -2,-0.3 2,-0.4 -0.907 3.7-151.6-129.5 156.1 76.0 25.4 19.0 67 128 A V E -bc 7 89A 0 -61,-2.1 -59,-0.5 -2,-0.3 2,-0.4 -0.986 23.0-158.4-122.5 132.6 79.7 24.4 18.7 68 129 A L E - c 0 90A 0 21,-2.0 23,-3.4 -2,-0.4 2,-0.3 -0.925 11.7-179.4-117.4 143.3 80.3 20.8 17.7 69 130 A S + 0 0 11 -61,-0.4 23,-0.1 -2,-0.4 -2,-0.0 -0.843 59.8 47.8-131.6 169.2 83.4 18.7 18.2 70 131 A S S S- 0 0 44 21,-0.4 2,-0.5 -2,-0.3 -1,-0.2 0.964 75.5-168.3 62.1 53.2 84.4 15.1 17.3 71 132 A I - 0 0 2 20,-0.5 66,-0.2 -3,-0.2 -1,-0.2 -0.646 6.7-172.4 -81.5 121.7 83.1 15.6 13.8 72 133 A N > - 0 0 68 -2,-0.5 3,-0.7 1,-0.1 2,-0.1 -0.468 40.2 -73.2-101.0 175.8 82.8 12.4 11.7 73 134 A Y T 3 S+ 0 0 77 61,-0.4 -1,-0.1 1,-0.3 21,-0.1 -0.462 120.3 6.6 -68.0 145.2 82.0 11.9 8.1 74 135 A N T 3 S- 0 0 93 1,-0.2 -1,-0.3 -2,-0.1 20,-0.0 0.939 91.7-156.8 44.5 56.8 78.3 12.7 7.3 75 136 A D <> - 0 0 0 -3,-0.7 4,-2.2 1,-0.2 3,-0.4 -0.507 11.7-147.0 -67.9 120.5 77.9 13.8 10.9 76 137 A P H > S+ 0 0 38 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.853 97.9 56.3 -56.7 -35.3 74.2 13.5 11.8 77 138 A R H > S+ 0 0 4 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.897 109.1 46.0 -64.1 -39.8 74.4 16.5 14.1 78 139 A V H > S+ 0 0 0 -3,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.887 112.3 51.0 -68.9 -39.9 75.7 18.7 11.3 79 140 A Q H X S+ 0 0 80 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.949 112.7 46.7 -61.3 -50.7 73.0 17.4 8.9 80 141 A F H X S+ 0 0 10 -4,-2.8 4,-2.5 1,-0.2 3,-0.3 0.962 112.4 46.0 -57.2 -60.1 70.3 18.1 11.5 81 142 A L H <>S+ 0 0 0 -4,-2.3 5,-1.8 1,-0.2 4,-0.2 0.802 111.2 55.6 -57.0 -29.9 71.3 21.7 12.4 82 143 A L H ><5S+ 0 0 55 -4,-1.6 3,-0.9 -5,-0.2 -1,-0.2 0.918 108.5 46.7 -68.8 -42.7 71.8 22.4 8.7 83 144 A K H 3<5S+ 0 0 119 -4,-2.0 -2,-0.2 -3,-0.3 -1,-0.2 0.918 111.8 50.9 -63.8 -43.9 68.2 21.4 8.0 84 145 A Q T 3<5S- 0 0 99 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.466 103.6-132.4 -73.8 -1.5 66.9 23.4 10.9 85 146 A K T < 5 + 0 0 180 -3,-0.9 -3,-0.2 -4,-0.2 -2,-0.1 0.823 53.6 154.7 52.5 30.8 68.8 26.5 9.7 86 147 A F < - 0 0 36 -5,-1.8 -1,-0.2 -6,-0.2 -21,-0.1 -0.744 50.2 -99.8 -94.0 138.5 70.1 26.9 13.3 87 148 A P + 0 0 32 0, 0.0 -21,-1.5 0, 0.0 2,-0.3 -0.242 57.8 143.9 -57.1 133.4 73.4 28.7 14.0 88 149 A F E -c 66 0A 14 -23,-0.2 2,-0.4 -83,-0.0 13,-0.4 -0.966 35.7-151.0-168.0 152.7 76.4 26.4 14.6 89 150 A V E -c 67 0A 0 -23,-2.2 -21,-2.0 -2,-0.3 2,-0.4 -0.999 18.1-144.8-130.2 130.9 80.1 26.2 14.1 90 151 A A E -cd 68 102A 0 11,-2.1 13,-2.5 -2,-0.4 2,-1.3 -0.824 7.1-143.9 -99.0 135.0 81.8 22.8 13.8 91 152 A F E S+ d 0 103A 24 -23,-3.4 -20,-0.5 -2,-0.4 -21,-0.4 -0.769 83.5 24.4 -94.4 86.7 85.3 22.3 15.1 92 153 A G S S- 0 0 0 11,-1.5 12,-0.1 -2,-1.3 11,-0.1 -0.111 89.0 -97.4 127.1 135.3 86.5 20.0 12.4 93 154 A R - 0 0 52 -2,-0.1 2,-0.3 9,-0.1 44,-0.1 -0.133 28.8-165.6 -73.1 171.9 85.5 19.3 8.8 94 155 A S - 0 0 3 1,-0.4 4,-0.2 4,-0.2 -21,-0.1 -0.823 58.6 -3.4-163.2 119.2 83.1 16.6 7.5 95 156 A N S > S- 0 0 48 -2,-0.3 3,-2.0 2,-0.1 -1,-0.4 0.837 79.7-107.5 61.3 111.6 82.6 15.4 3.9 96 157 A P T 3 S+ 0 0 125 0, 0.0 2,-0.4 0, 0.0 -2,-0.2 0.837 110.0 25.5 -30.4 -85.8 84.6 17.4 1.3 97 158 A D T 3 S+ 0 0 164 2,-0.1 2,-0.5 0, 0.0 -2,-0.1 0.018 90.1 122.3 -81.6 33.8 82.1 19.5 -0.6 98 159 A W < - 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0 0 11 -5,-2.6 -1,-0.2 -6,-0.1 -2,-0.1 -0.785 54.4 -86.7-105.7 152.4 110.7 7.4 -0.7 155 216 A P - 0 0 74 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.274 29.8-150.1 -57.6 138.5 109.0 4.0 -0.7 156 217 A I - 0 0 65 -3,-0.0 2,-0.4 -6,-0.0 -29,-0.1 -0.861 23.2-164.0-112.9 89.4 105.5 4.0 0.8 157 218 A E > - 0 0 44 -2,-0.8 3,-1.6 1,-0.1 4,-0.2 -0.637 24.3-148.3 -80.9 129.8 105.4 0.5 2.2 158 219 A T G > S+ 0 0 132 -2,-0.4 3,-1.2 1,-0.3 -1,-0.1 0.813 103.3 61.2 -64.3 -28.1 102.1 -1.1 3.1 159 220 A G G 3 S+ 0 0 38 1,-0.2 -1,-0.3 3,-0.1 -32,-0.0 0.679 101.8 52.9 -71.5 -16.2 104.0 -2.9 5.8 160 221 A Y G < S+ 0 0 2 -3,-1.6 -32,-2.8 1,-0.1 2,-0.6 0.342 94.3 76.4 -98.6 1.7 104.9 0.5 7.3 161 222 A I E < +g 128 0B 35 -3,-1.2 2,-0.5 -4,-0.2 -32,-0.2 -0.891 61.1 178.4-117.4 99.8 101.4 1.7 7.5 162 223 A L E -g 129 0B 30 -34,-2.1 -32,-2.8 -2,-0.6 2,-0.4 -0.899 10.8-158.1-107.5 124.5 99.6 0.1 10.5 163 224 A R E +g 130 0B 96 -2,-0.5 -32,-0.3 -34,-0.2 2,-0.3 -0.833 33.4 108.8-104.5 138.3 96.0 1.1 11.3 164 225 A G - 0 0 15 -34,-1.9 2,-0.1 -2,-0.4 -2,-0.0 -0.980 64.9 -39.6 179.7-176.6 94.4 0.7 14.6 165 226 A E - 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