==== 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 01-JUN-08 3DBI . COMPND 2 MOLECULE: SUGAR-BINDING TRANSCRIPTIONAL REGULATOR, LACI FAM . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K12; . AUTHOR Y.PATSKOVSKY,S.OZYURT,J.FREEMAN,B.WU,M.MALETIC,J.KOSS,S.R.WA . 833 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35711.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 585 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 106 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 1.9 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 . 67 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 286 34.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 2.8 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 0 0 3 0 1 8 3 3 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 6 12 3 0 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 PARALLEL BRIDGES PER LADDER . 0 0 4 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 1 3 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 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 60 A S 0 0 138 0, 0.0 60,-0.1 0, 0.0 59,-0.0 0.000 360.0 360.0 360.0 146.6 66.1 42.4 213.1 2 61 A T - 0 0 53 58,-0.3 34,-0.2 2,-0.2 3,-0.1 0.367 360.0-115.6-111.6 -2.2 63.7 42.8 210.2 3 62 A Q S S+ 0 0 93 1,-0.2 33,-2.2 32,-0.1 2,-0.4 0.966 71.6 136.2 56.5 59.6 61.1 40.5 211.7 4 63 A T E -a 36 0A 15 31,-0.2 58,-2.2 56,-0.1 59,-0.8 -0.998 41.9-158.9-142.3 136.6 61.6 38.0 208.9 5 64 A L E -ab 37 63A 0 31,-3.7 33,-3.2 -2,-0.4 2,-0.4 -0.928 13.0-148.7-118.3 141.4 61.9 34.2 208.7 6 65 A G E -ab 38 64A 0 57,-2.8 59,-1.9 -2,-0.4 2,-0.4 -0.864 12.3-176.4-115.0 143.6 63.4 32.3 205.8 7 66 A L E -ab 39 65A 0 31,-2.3 33,-2.0 -2,-0.4 2,-0.6 -0.990 17.9-142.8-138.2 129.0 62.7 28.8 204.4 8 67 A V E -a 40 0A 0 57,-2.3 2,-0.5 -2,-0.4 59,-0.5 -0.823 15.0-142.0 -90.3 119.2 64.6 27.1 201.6 9 68 A V E -a 41 0A 1 31,-3.4 33,-3.0 -2,-0.6 34,-0.3 -0.711 30.3-175.4 -76.2 123.4 62.3 25.0 199.3 10 69 A T > - 0 0 2 -2,-0.5 2,-2.4 32,-0.1 3,-0.8 -0.773 42.7 -93.8-120.1 169.8 64.2 21.9 198.5 11 70 A N T 3 S+ 0 0 72 32,-0.5 -2,-0.0 -2,-0.3 33,-0.0 -0.185 100.1 93.9 -72.9 47.5 63.8 18.8 196.2 12 71 A T T > + 0 0 0 -2,-2.4 3,-1.3 55,-0.1 7,-0.5 0.279 39.8 122.3-131.0 4.8 62.3 17.0 199.2 13 72 A L T < S+ 0 0 22 -3,-0.8 4,-0.1 1,-0.2 3,-0.1 -0.591 87.2 21.1 -64.8 136.4 58.5 17.5 198.9 14 73 A Y T 3 S+ 0 0 117 2,-0.5 2,-1.4 -2,-0.2 -1,-0.2 0.220 93.9 110.7 78.3 -9.9 57.0 13.9 198.7 15 74 A H S X S- 0 0 38 -3,-1.3 3,-0.5 1,-0.1 4,-0.3 -0.642 104.1 -56.8 -88.3 77.9 60.2 12.5 200.3 16 75 A G T 3 S- 0 0 27 -2,-1.4 -2,-0.5 1,-0.2 4,-0.3 -0.261 79.5 -69.5 68.6-167.1 58.3 11.6 203.5 17 76 A I T 3> S+ 0 0 74 1,-0.1 4,-2.3 2,-0.1 5,-0.3 0.262 98.9 108.7-105.2 14.3 56.5 14.4 205.3 18 77 A Y H <> S+ 0 0 11 -3,-0.5 4,-2.2 1,-0.2 -1,-0.1 0.938 82.5 36.7 -58.0 -57.6 59.5 16.3 206.6 19 78 A F H > S+ 0 0 5 -7,-0.5 4,-2.8 -4,-0.3 -1,-0.2 0.896 116.6 51.3 -66.3 -45.9 59.4 19.4 204.4 20 79 A S H > S+ 0 0 23 -4,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.922 113.2 45.4 -58.7 -46.1 55.6 19.8 204.3 21 80 A E H X S+ 0 0 26 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.903 112.4 52.3 -63.7 -41.0 55.4 19.6 208.1 22 81 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.3 -2,-0.2 0.924 110.8 47.7 -59.2 -46.2 58.3 22.0 208.4 23 82 A L H X S+ 0 0 3 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.899 111.4 50.3 -62.4 -45.6 56.5 24.4 206.1 24 83 A F H X S+ 0 0 37 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.961 116.0 40.3 -55.7 -57.0 53.2 24.2 208.0 25 84 A H H X S+ 0 0 38 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.836 113.7 53.5 -68.0 -34.8 54.7 24.8 211.4 26 85 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.872 109.9 49.1 -66.1 -37.6 57.0 27.5 210.1 27 86 A A H X S+ 0 0 4 -4,-2.2 4,-1.5 -5,-0.2 572,-0.3 0.893 113.1 47.4 -63.8 -42.0 54.0 29.3 208.6 28 87 A R H X S+ 0 0 46 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.913 112.9 47.2 -65.5 -46.7 52.1 29.0 211.9 29 88 A X H X S+ 0 0 5 -4,-2.7 4,-2.5 1,-0.2 6,-0.2 0.920 109.7 53.6 -62.8 -47.1 55.1 30.2 214.1 30 89 A A H <>S+ 0 0 3 -4,-2.1 5,-3.0 1,-0.2 4,-0.3 0.860 112.4 44.4 -55.2 -41.2 55.7 33.2 211.8 31 90 A E H ><5S+ 0 0 96 -4,-1.5 3,-0.8 3,-0.2 -1,-0.2 0.923 113.6 49.7 -70.8 -45.5 52.1 34.3 212.1 32 91 A E H 3<5S+ 0 0 126 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.818 117.1 40.9 -61.3 -35.1 51.9 33.7 215.9 33 92 A K T 3<5S- 0 0 80 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.378 114.4-117.6 -97.0 1.3 55.2 35.7 216.4 34 93 A G T < 5 + 0 0 60 -3,-0.8 2,-0.3 -4,-0.3 -3,-0.2 0.768 67.0 133.5 70.1 30.5 54.2 38.4 213.8 35 94 A R < - 0 0 9 -5,-3.0 -31,-0.2 -6,-0.2 2,-0.2 -0.798 57.2-109.1-112.7 154.7 57.0 37.8 211.4 36 95 A Q E -a 4 0A 60 -33,-2.2 -31,-3.7 -2,-0.3 2,-0.6 -0.575 24.4-141.0 -78.7 140.1 57.1 37.5 207.6 37 96 A L E -aC 5 597A 2 560,-0.7 560,-2.5 -2,-0.2 2,-0.4 -0.917 18.5-167.4-106.0 115.7 57.9 34.1 206.0 38 97 A L E -aC 6 596A 5 -33,-3.2 -31,-2.3 -2,-0.6 2,-0.3 -0.846 6.1-150.6-103.5 132.9 60.1 34.2 202.9 39 98 A L E -aC 7 595A 5 556,-2.8 556,-0.7 -2,-0.4 2,-0.4 -0.802 9.5-171.4-100.0 144.2 60.7 31.3 200.5 40 99 A A E -a 8 0A 4 -33,-2.0 -31,-3.4 -2,-0.3 2,-0.7 -0.998 25.8-122.7-131.7 139.9 63.8 30.7 198.5 41 100 A D E -a 9 0A 9 -2,-0.4 -31,-0.1 544,-0.3 -33,-0.1 -0.708 19.0-171.9 -86.0 112.2 64.1 28.0 195.8 42 101 A G > - 0 0 0 -33,-3.0 3,-0.8 -2,-0.7 -1,-0.1 0.519 26.5-173.9 -80.3 -6.4 67.0 25.7 196.6 43 102 A K T 3 - 0 0 25 -34,-0.3 -32,-0.5 1,-0.2 -1,-0.2 -0.149 44.1 -40.7 53.3-127.7 66.6 24.1 193.2 44 103 A H T 3 S+ 0 0 79 -34,-0.1 2,-0.3 25,-0.0 -1,-0.2 0.121 105.5 49.8-135.0 18.4 68.6 21.1 192.3 45 104 A S S <> S- 0 0 35 -3,-0.8 4,-1.9 1,-0.1 26,-0.2 -0.958 77.3-106.8-149.9 172.7 72.3 21.2 193.5 46 105 A A H > S+ 0 0 31 -2,-0.3 4,-1.6 24,-0.2 5,-0.1 0.838 120.7 49.8 -66.7 -35.8 74.5 21.9 196.5 47 106 A E H > S+ 0 0 136 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.902 110.6 48.7 -70.1 -43.3 75.5 25.3 195.0 48 107 A E H > S+ 0 0 60 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.831 110.4 51.9 -66.8 -33.8 71.9 26.3 194.3 49 108 A E H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.852 110.7 48.3 -69.2 -37.0 71.0 25.3 197.9 50 109 A R H X S+ 0 0 85 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.865 109.1 53.4 -66.6 -40.5 73.9 27.5 199.2 51 110 A Q H X S+ 0 0 102 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.887 106.4 52.8 -62.1 -40.5 72.7 30.4 196.9 52 111 A A H X S+ 0 0 6 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.904 110.8 46.4 -63.2 -43.2 69.2 30.1 198.4 53 112 A I H X S+ 0 0 1 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.936 113.8 49.3 -60.7 -47.0 70.6 30.4 201.9 54 113 A Q H X S+ 0 0 68 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.872 107.6 54.1 -60.9 -41.0 72.8 33.3 200.8 55 114 A Y H X S+ 0 0 82 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.880 110.8 45.9 -61.4 -42.4 69.8 35.1 199.2 56 115 A L H <>S+ 0 0 0 -4,-1.8 5,-2.2 2,-0.2 -1,-0.2 0.846 112.8 50.3 -70.6 -35.7 67.9 34.9 202.4 57 116 A L H ><5S+ 0 0 9 -4,-2.1 3,-0.6 3,-0.2 -2,-0.2 0.865 109.3 52.1 -65.6 -39.3 70.9 36.1 204.4 58 117 A D H 3<5S+ 0 0 111 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.824 109.0 49.0 -67.3 -35.3 71.4 39.0 201.9 59 118 A L T 3<5S- 0 0 57 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.481 119.1-118.9 -78.5 -8.2 67.7 40.0 202.4 60 119 A R T < 5 - 0 0 148 -3,-0.6 -58,-0.3 -4,-0.2 2,-0.3 0.926 40.4-178.6 68.6 53.1 68.4 39.8 206.1 61 120 A C < - 0 0 0 -5,-2.2 -56,-0.2 1,-0.1 -1,-0.2 -0.612 30.7-133.8 -67.9 139.2 66.1 37.2 207.5 62 121 A D S S+ 0 0 12 -58,-2.2 2,-0.3 -2,-0.3 -57,-0.2 0.789 86.4 6.6 -62.7 -30.5 66.5 36.8 211.2 63 122 A A E -b 5 0A 0 -59,-0.8 -57,-2.8 22,-0.2 2,-0.4 -0.988 63.1-151.7-155.0 155.3 66.6 33.0 210.7 64 123 A I E -bd 6 87A 0 22,-2.3 24,-3.2 -2,-0.3 2,-0.4 -0.995 6.8-161.7-134.8 135.7 66.7 30.3 208.0 65 124 A X E +bd 7 88A 0 -59,-1.9 -57,-2.3 -2,-0.4 2,-0.3 -0.958 16.3 171.2-119.4 141.7 65.4 26.8 208.0 66 125 A I E - d 0 89A 1 22,-2.0 24,-2.3 -2,-0.4 -57,-0.1 -0.999 33.7-160.2-149.9 140.1 66.4 24.0 205.6 67 126 A Y - 0 0 1 -59,-0.5 2,-0.3 -2,-0.3 24,-0.1 -0.904 38.8-149.1-111.8 94.7 66.1 20.3 204.9 68 127 A P + 0 0 1 0, 0.0 -22,-0.1 0, 0.0 5,-0.1 -0.503 27.4 178.5 -77.3 127.8 69.1 20.0 202.5 69 128 A R S S+ 0 0 53 -2,-0.3 -23,-0.1 -24,-0.1 -25,-0.0 0.853 87.1 10.2 -88.2 -42.6 69.0 17.3 199.8 70 129 A F S S+ 0 0 93 -25,-0.2 -24,-0.2 2,-0.1 2,-0.1 0.828 100.5 97.5-105.8 -43.1 72.4 18.2 198.2 71 130 A L S S- 0 0 6 -26,-0.2 -24,-0.0 1,-0.1 5,-0.0 -0.303 74.0-118.4 -66.1 125.8 74.3 20.6 200.5 72 131 A S > - 0 0 43 -2,-0.1 4,-1.8 1,-0.1 5,-0.1 -0.210 8.6-128.1 -64.0 147.7 76.8 19.0 202.9 73 132 A V H > S+ 0 0 32 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.865 110.9 53.3 -61.2 -37.8 76.5 19.1 206.6 74 133 A D H > S+ 0 0 77 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.863 106.8 51.3 -68.2 -37.1 80.1 20.4 206.8 75 134 A E H > S+ 0 0 72 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.897 108.9 51.2 -65.5 -39.9 79.5 23.2 204.4 76 135 A I H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.884 104.1 57.8 -67.1 -38.7 76.4 24.3 206.5 77 136 A D H X S+ 0 0 8 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.897 106.3 50.2 -52.4 -44.6 78.6 24.3 209.6 78 137 A D H X S+ 0 0 101 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.913 109.6 49.6 -60.4 -47.0 80.9 26.8 207.9 79 138 A I H X S+ 0 0 8 -4,-1.8 4,-0.7 1,-0.2 -2,-0.2 0.890 109.7 51.9 -62.5 -40.5 77.9 29.1 206.9 80 139 A I H >< S+ 0 0 10 -4,-2.6 3,-0.6 1,-0.2 -1,-0.2 0.872 108.1 52.0 -62.9 -38.8 76.6 29.0 210.5 81 140 A D H 3< S+ 0 0 78 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.872 108.9 50.6 -63.6 -38.2 80.1 30.1 211.8 82 141 A A H 3< S+ 0 0 76 -4,-1.7 2,-0.4 -5,-0.1 -1,-0.2 0.602 109.4 57.3 -76.5 -13.5 80.2 33.0 209.4 83 142 A H << - 0 0 59 -4,-0.7 4,-0.1 -3,-0.6 -1,-0.0 -0.955 59.3-152.2-132.3 140.5 76.7 34.4 210.4 84 143 A S S S+ 0 0 117 -2,-0.4 -1,-0.1 2,-0.1 -4,-0.1 0.647 78.2 92.4 -78.6 -17.9 74.9 35.6 213.5 85 144 A Q S S- 0 0 38 1,-0.1 -22,-0.2 -24,-0.1 2,-0.2 -0.698 87.5-114.0 -76.7 124.2 71.5 34.6 212.0 86 145 A P - 0 0 14 0, 0.0 -22,-2.3 0, 0.0 2,-0.6 -0.398 23.9-160.3 -61.7 125.6 70.5 31.0 213.0 87 146 A I E -d 64 0A 0 -24,-0.2 2,-0.4 -2,-0.2 -22,-0.2 -0.963 13.2-155.9-105.6 114.3 70.4 28.5 210.2 88 147 A X E -d 65 0A 0 -24,-3.2 -22,-2.0 -2,-0.6 2,-0.5 -0.762 3.2-156.4 -95.9 138.4 68.3 25.5 211.4 89 148 A V E -de 66 101A 0 11,-2.8 13,-2.5 -2,-0.4 2,-0.4 -0.958 2.4-155.7-121.6 126.6 68.8 22.1 209.8 90 149 A L E S+ e 0 102A 0 -24,-2.3 13,-0.2 -2,-0.5 3,-0.1 -0.827 71.4 1.8-102.5 138.4 66.2 19.3 209.7 91 150 A N S S+ 0 0 5 11,-2.2 2,-0.3 -2,-0.4 12,-0.2 0.725 108.7 91.7 66.1 28.3 66.9 15.6 209.4 92 151 A R S S- 0 0 22 10,-0.6 2,-0.6 -3,-0.3 -1,-0.2 -0.978 71.4-126.6-146.0 149.9 70.7 15.9 209.3 93 152 A R - 0 0 121 -2,-0.3 2,-0.3 -3,-0.1 -20,-0.1 -0.904 17.8-153.2-107.5 116.5 73.3 15.8 212.0 94 153 A L - 0 0 0 -2,-0.6 7,-0.1 4,-0.2 4,-0.1 -0.653 5.0-150.2 -82.2 138.7 75.8 18.8 212.3 95 154 A R S S+ 0 0 142 -2,-0.3 3,-0.3 2,-0.1 -1,-0.1 0.936 86.9 17.9 -80.9 -40.1 79.1 17.9 213.8 96 155 A K S S+ 0 0 132 1,-0.2 2,-1.7 2,-0.1 3,-0.2 0.941 128.7 40.3 -96.6 -58.7 80.0 21.2 215.3 97 156 A N S > S+ 0 0 30 1,-0.2 3,-2.2 2,-0.1 4,-0.3 -0.318 70.9 157.0 -87.5 61.5 77.0 23.4 215.6 98 157 A S G > + 0 0 66 -2,-1.7 3,-0.8 -3,-0.3 -1,-0.2 0.646 62.7 65.7 -69.5 -17.2 74.8 20.4 216.7 99 158 A S G 3 S+ 0 0 58 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.659 95.1 61.0 -75.3 -15.1 72.2 22.6 218.5 100 159 A H G < S+ 0 0 27 -3,-2.2 -11,-2.8 -12,-0.1 2,-0.4 0.556 100.0 69.5 -83.3 -10.3 71.3 24.0 215.1 101 160 A S E < -e 89 0A 0 -3,-0.8 2,-0.5 -4,-0.3 -11,-0.2 -0.904 60.4-162.2-115.2 139.4 70.3 20.6 213.8 102 161 A V E +e 90 0A 0 -13,-2.5 -11,-2.2 -2,-0.4 -10,-0.6 -0.972 29.8 167.5-113.9 117.7 67.4 18.3 214.7 103 162 A W - 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