==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR 05-NOV-09 3KKE . COMPND 2 MOLECULE: LACI FAMILY TRANSCRIPTIONAL REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM SMEGMATIS STR. MC2 155; . AUTHOR J.B.BONANNO,M.RUTTER,K.T.BAIN,J.DO,S.OZYURT,S.WASSERMAN, . 1131 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39686.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 823 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 163 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 76 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 395 34.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 2.5 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 4 0 0 5 0 0 4 0 2 11 4 5 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 5 10 18 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 PARALLEL BRIDGES PER LADDER . 2 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 0 4 0 0 0 0 0 2 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 63 A T 0 0 54 0, 0.0 56,-2.4 0, 0.0 57,-0.7 0.000 360.0 360.0 360.0 144.4 -6.0 -13.1 89.0 2 64 A I E -ab 32 58A 2 29,-3.0 31,-2.7 54,-0.2 2,-0.4 -0.875 360.0-132.2-122.6 154.8 -2.9 -13.5 86.7 3 65 A G E -ab 33 59A 3 55,-2.8 57,-3.4 -2,-0.3 2,-0.6 -0.890 7.7-159.3-106.2 130.9 -0.3 -16.3 86.3 4 66 A L E -ab 34 60A 0 29,-3.2 31,-2.8 -2,-0.4 2,-0.5 -0.959 13.2-168.0-107.8 109.7 3.4 -15.6 86.2 5 67 A I E +ab 35 61A 16 55,-3.1 57,-2.4 -2,-0.6 31,-0.2 -0.907 13.6 173.3-103.3 121.2 5.1 -18.6 84.5 6 68 A V E -a 36 0A 1 29,-3.1 31,-2.2 -2,-0.5 3,-0.2 -0.813 42.4-125.1-126.8 159.4 8.9 -18.6 84.8 7 69 A P S S- 0 0 21 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.897 93.2 -25.0 -69.5 -44.1 11.9 -21.0 84.0 8 70 A D > - 0 0 66 28,-0.1 3,-1.4 27,-0.1 6,-0.1 -0.907 53.0-126.0-164.7 146.7 13.2 -20.9 87.7 9 71 A V T 3 S+ 0 0 7 -2,-0.3 6,-0.2 1,-0.3 863,-0.1 0.618 106.6 70.6 -76.7 -9.9 12.8 -18.4 90.5 10 72 A N T 3 S+ 0 0 69 862,-0.1 -1,-0.3 4,-0.1 5,-0.0 0.576 71.6 123.1 -73.4 -13.5 16.7 -18.4 90.8 11 73 A N S X> S- 0 0 12 -3,-1.4 3,-1.1 1,-0.1 4,-0.5 -0.218 71.7-122.2 -55.0 140.4 16.9 -16.5 87.5 12 74 A A T 34 S+ 0 0 11 1,-0.3 4,-0.4 2,-0.1 3,-0.2 0.795 109.1 44.2 -54.2 -40.5 18.7 -13.2 87.7 13 75 A V T 3> S+ 0 0 2 1,-0.2 4,-2.2 2,-0.1 5,-0.3 0.613 91.6 90.0 -83.9 -11.0 15.9 -11.0 86.4 14 76 A F H <> S+ 0 0 1 -3,-1.1 4,-3.3 1,-0.2 5,-0.3 0.903 82.2 49.4 -56.8 -54.1 13.2 -12.7 88.5 15 77 A A H X S+ 0 0 14 -4,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.919 117.4 38.0 -56.5 -51.5 13.3 -10.6 91.7 16 78 A D H > S+ 0 0 69 -4,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.923 118.8 50.1 -67.0 -42.6 13.1 -7.2 90.1 17 79 A M H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.913 111.7 48.5 -59.8 -47.3 10.6 -8.4 87.4 18 80 A F H X S+ 0 0 0 -4,-3.3 4,-3.6 -5,-0.3 5,-0.3 0.933 107.2 53.9 -61.7 -46.6 8.4 -10.0 90.0 19 81 A S H X S+ 0 0 31 -4,-2.2 4,-2.4 -5,-0.3 -1,-0.2 0.875 111.5 47.3 -59.3 -34.4 8.3 -6.9 92.2 20 82 A G H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 5,-0.3 0.939 113.0 46.9 -68.3 -47.8 7.2 -5.0 89.2 21 83 A V H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.950 115.7 47.3 -57.1 -47.4 4.5 -7.5 88.3 22 84 A Q H X S+ 0 0 29 -4,-3.6 4,-3.1 1,-0.2 5,-0.3 0.919 109.9 50.7 -65.6 -48.6 3.3 -7.6 91.9 23 85 A M H X S+ 0 0 126 -4,-2.4 4,-1.2 -5,-0.3 -1,-0.2 0.884 116.7 40.7 -54.5 -45.8 3.2 -3.8 92.4 24 86 A A H X S+ 0 0 13 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.941 117.1 47.7 -70.4 -47.7 1.1 -3.3 89.2 25 87 A A H ><>S+ 0 0 0 -4,-2.9 5,-2.2 -5,-0.3 3,-1.5 0.948 112.9 47.7 -59.2 -48.5 -1.1 -6.3 89.7 26 88 A S H ><5S+ 0 0 70 -4,-3.1 3,-2.2 1,-0.3 -1,-0.2 0.823 101.4 67.3 -63.3 -31.3 -1.8 -5.5 93.4 27 89 A G H 3<5S+ 0 0 64 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.790 107.2 39.6 -55.5 -32.0 -2.5 -1.9 92.3 28 90 A H T <<5S- 0 0 117 -3,-1.5 -1,-0.3 -4,-0.8 -2,-0.2 -0.044 120.8-107.4-105.3 21.6 -5.6 -3.4 90.5 29 91 A S T < 5S+ 0 0 85 -3,-2.2 2,-0.4 1,-0.2 -3,-0.2 0.870 76.2 140.0 52.3 39.4 -6.5 -5.8 93.4 30 92 A T < - 0 0 26 -5,-2.2 2,-0.2 -8,-0.2 -1,-0.2 -0.941 44.6-137.4-115.7 134.9 -5.3 -8.7 91.2 31 93 A D - 0 0 23 -2,-0.4 -29,-3.0 -3,-0.1 2,-0.5 -0.640 8.5-132.7 -95.6 156.1 -3.3 -11.6 92.6 32 94 A V E -a 2 0A 5 859,-0.3 859,-1.4 -2,-0.2 2,-0.5 -0.916 12.5-162.0-113.2 121.2 -0.2 -13.2 91.1 33 95 A L E -aC 3 890A 17 -31,-2.7 -29,-3.2 -2,-0.5 2,-0.4 -0.888 17.3-144.6-104.9 122.7 -0.0 -17.0 90.9 34 96 A L E +a 4 0A 10 855,-1.7 855,-0.4 -2,-0.5 2,-0.3 -0.748 19.5 178.8-102.6 135.9 3.5 -18.2 90.3 35 97 A G E -a 5 0A 8 -31,-2.8 -29,-3.1 -2,-0.4 2,-0.4 -0.992 12.6-157.1-139.9 147.2 4.5 -21.2 88.3 36 98 A Q E -a 6 0A 13 -2,-0.3 2,-0.4 -31,-0.2 -28,-0.1 -0.984 10.2-155.9-129.8 126.5 7.8 -22.8 87.4 37 99 A I - 0 0 9 -31,-2.2 6,-0.1 -2,-0.4 7,-0.1 -0.896 5.0-143.5-114.8 134.5 8.5 -25.0 84.4 38 100 A D - 0 0 86 -2,-0.4 26,-0.1 1,-0.2 -1,-0.1 0.036 41.4 -67.8 -73.8-176.3 11.2 -27.7 83.7 39 101 A A S > S- 0 0 44 1,-0.1 4,-2.7 4,-0.1 -1,-0.2 -0.383 73.5 -63.9 -70.3 152.7 13.1 -28.6 80.5 40 102 A P T 4 S+ 0 0 44 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.554 114.5 43.3 -68.0 143.8 11.2 -30.2 77.6 41 103 A P T >> S+ 0 0 110 0, 0.0 3,-1.4 0, 0.0 4,-1.4 -0.843 134.0 24.5 -78.2 -44.5 9.7 -32.9 77.3 42 104 A R H 3> S+ 0 0 46 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.800 118.4 67.1 -57.8 -31.2 8.1 -32.6 80.8 43 105 A G H 3X S+ 0 0 0 -4,-2.7 4,-1.4 2,-0.2 -1,-0.3 0.848 100.5 45.4 -52.9 -43.9 8.5 -28.8 80.4 44 106 A T H <> S+ 0 0 51 -3,-1.4 4,-2.9 2,-0.2 -2,-0.2 0.917 113.0 50.3 -74.1 -41.5 6.0 -28.6 77.5 45 107 A Q H X S+ 0 0 148 -4,-1.4 4,-3.2 2,-0.2 5,-0.3 0.954 109.4 50.4 -56.5 -55.2 3.4 -30.8 79.2 46 108 A Q H X S+ 0 0 55 -4,-2.8 4,-3.3 1,-0.2 -1,-0.2 0.883 113.6 47.8 -50.9 -40.9 3.5 -28.8 82.5 47 109 A L H X S+ 0 0 3 -4,-1.4 4,-2.0 -5,-0.2 5,-0.4 0.924 111.6 47.5 -72.6 -43.8 3.0 -25.7 80.4 48 110 A S H X S+ 0 0 55 -4,-2.9 4,-2.5 2,-0.2 5,-0.4 0.929 120.1 39.6 -60.5 -45.5 0.1 -27.1 78.4 49 111 A R H X S+ 0 0 62 -4,-3.2 4,-2.5 1,-0.2 5,-0.4 0.980 119.0 47.1 -64.7 -53.1 -1.6 -28.4 81.6 50 112 A L H < S+ 0 0 51 -4,-3.3 4,-0.3 -5,-0.3 5,-0.2 0.669 121.3 36.7 -67.5 -20.9 -0.7 -25.3 83.6 51 113 A V H < S+ 0 0 10 -4,-2.0 -1,-0.2 -5,-0.2 -3,-0.2 0.857 120.8 43.8 -94.4 -48.5 -1.8 -22.9 80.8 52 114 A S H < S+ 0 0 82 -4,-2.5 -3,-0.2 -5,-0.4 -2,-0.2 0.964 111.0 52.3 -57.5 -56.9 -4.8 -24.8 79.5 53 115 A E S < S+ 0 0 90 -4,-2.5 -1,-0.2 -5,-0.4 -3,-0.2 0.886 90.3 179.9 -52.7 -53.1 -6.3 -25.8 82.9 54 116 A G + 0 0 39 -5,-0.4 -3,-0.1 -4,-0.3 -4,-0.1 0.947 41.2 177.5 58.9 93.2 -6.2 -22.1 84.1 55 117 A R S S+ 0 0 60 -5,-0.2 2,-0.3 3,-0.0 -1,-0.1 -0.221 75.9 85.8 -96.7 31.7 -7.3 -20.8 87.5 56 118 A V S S- 0 0 30 -5,-0.2 -54,-0.2 1,-0.1 3,-0.1 -0.984 75.4-144.5-137.4 144.5 -6.0 -17.6 85.9 57 119 A D S S- 0 0 101 -56,-2.4 2,-0.3 -2,-0.3 -55,-0.2 0.788 86.9 -7.4 -77.3 -28.8 -7.6 -15.0 83.6 58 120 A G E -b 2 0A 2 -57,-0.7 -55,-2.8 21,-0.1 2,-0.4 -0.986 66.7-119.4-166.9 170.5 -4.2 -14.6 81.8 59 121 A V E -bd 3 81A 3 21,-2.3 23,-2.1 -2,-0.3 2,-0.5 -0.911 2.6-158.9-129.1 130.7 -0.6 -15.4 81.8 60 122 A L E -bd 4 82A 0 -57,-3.4 -55,-3.1 -2,-0.4 2,-0.5 -0.980 27.6-165.8 -97.5 118.3 2.8 -13.6 81.9 61 123 A L E -bd 5 83A 5 21,-2.4 23,-2.4 -2,-0.5 2,-0.6 -0.931 20.4-167.9-116.6 118.1 5.4 -16.0 80.4 62 124 A Q - 0 0 5 -57,-2.4 2,-0.1 -2,-0.5 23,-0.1 -0.896 37.1-126.0 -90.7 120.3 9.2 -15.7 80.7 63 125 A R - 0 0 2 -2,-0.6 2,-0.1 21,-0.4 -57,-0.0 -0.425 15.0-116.8 -76.2 142.4 10.4 -18.2 78.1 64 126 A R > - 0 0 50 -2,-0.1 3,-1.8 1,-0.1 -1,-0.1 -0.448 21.8-121.8 -71.7 149.2 12.8 -20.9 79.0 65 127 A E T 3 S+ 0 0 47 1,-0.3 61,-0.3 -2,-0.1 62,-0.2 0.718 113.1 49.6 -68.4 -16.8 16.2 -20.8 77.2 66 128 A D T 3 S+ 0 0 52 60,-0.1 2,-0.7 2,-0.1 -1,-0.3 0.209 87.6 99.1-104.1 10.8 15.5 -24.3 75.8 67 129 A F < - 0 0 2 -3,-1.8 2,-0.1 -28,-0.1 -4,-0.0 -0.890 65.1-147.7 -98.8 114.6 12.0 -23.6 74.5 68 130 A D > - 0 0 61 -2,-0.7 4,-1.5 1,-0.1 3,-0.4 -0.356 30.7 -99.8 -78.3 165.2 12.0 -22.9 70.8 69 131 A D H > S+ 0 0 55 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.824 123.7 56.1 -50.6 -34.2 9.6 -20.5 69.1 70 132 A D H > S+ 0 0 125 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.905 102.7 51.1 -64.5 -51.3 7.6 -23.6 68.1 71 133 A M H > S+ 0 0 38 -3,-0.4 4,-0.8 1,-0.2 -1,-0.2 0.754 117.1 41.6 -62.0 -29.4 7.1 -25.0 71.6 72 134 A L H X S+ 0 0 1 -4,-1.5 4,-2.5 2,-0.2 5,-0.2 0.896 107.8 57.0 -84.6 -45.5 5.7 -21.6 72.8 73 135 A A H X S+ 0 0 43 -4,-2.4 4,-0.6 1,-0.2 -2,-0.2 0.888 109.9 46.5 -54.1 -42.1 3.6 -20.6 69.8 74 136 A A H < S+ 0 0 78 -4,-1.7 3,-0.3 1,-0.2 -1,-0.2 0.884 114.2 46.2 -69.6 -44.6 1.5 -23.8 70.1 75 137 A V H < S+ 0 0 13 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.834 112.7 50.4 -62.5 -39.7 1.0 -23.6 73.9 76 138 A L H >< S+ 0 0 6 -4,-2.5 3,-2.1 2,-0.1 -1,-0.2 0.562 79.5 122.5 -82.8 -8.0 0.1 -19.9 73.7 77 139 A E T 3< S- 0 0 55 -4,-0.6 -3,-0.0 -3,-0.3 364,-0.0 -0.339 88.9 -1.0 -51.1 125.5 -2.5 -20.5 70.9 78 140 A G T 3 S+ 0 0 87 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.578 106.0 115.3 68.8 13.9 -5.8 -19.2 72.3 79 141 A V S < S- 0 0 32 -3,-2.1 2,-0.6 2,-0.0 -1,-0.2 -0.965 73.5-118.5-117.3 126.9 -4.5 -18.0 75.7 80 142 A P + 0 0 40 0, 0.0 -21,-2.3 0, 0.0 2,-0.3 -0.503 59.0 158.1 -60.2 110.2 -4.4 -14.3 76.8 81 143 A A E -d 59 0A 0 -2,-0.6 2,-0.5 11,-0.2 -21,-0.2 -0.992 38.4-165.0-148.3 138.2 -0.6 -14.1 77.2 82 144 A V E -d 60 0A 0 -23,-2.1 -21,-2.4 -2,-0.3 2,-0.3 -0.998 21.0-143.1-121.9 122.7 2.2 -11.6 77.3 83 145 A T E -de 61 94A 0 10,-2.5 12,-2.6 -2,-0.5 2,-0.4 -0.664 17.9-150.9 -81.9 141.7 5.7 -12.9 76.9 84 146 A I E S+ e 0 95A 0 -23,-2.4 -21,-0.4 -2,-0.3 12,-0.2 -0.964 72.9 1.5-122.7 133.8 8.2 -11.0 79.1 85 147 A N S S+ 0 0 4 10,-2.6 2,-0.3 -2,-0.4 44,-0.2 0.793 129.2 61.9 61.0 25.0 11.9 -10.5 78.3 86 148 A S - 0 0 0 9,-0.6 9,-0.5 -3,-0.2 2,-0.4 -0.901 64.6-154.9-171.8 150.8 11.1 -12.4 75.1 87 149 A R - 0 0 73 -2,-0.3 41,-0.1 7,-0.1 7,-0.1 -0.996 14.8-144.0-136.4 127.3 8.9 -12.1 72.0 88 150 A V > - 0 0 1 -2,-0.4 3,-1.1 5,-0.2 -5,-0.1 -0.803 24.4-113.9 -95.6 129.4 7.8 -15.0 69.9 89 151 A P T 3 S+ 0 0 50 0, 0.0 3,-0.1 0, 0.0 335,-0.1 -0.262 95.5 25.3 -55.4 143.0 7.5 -14.7 66.0 90 152 A G T 3 S+ 0 0 14 1,-0.2 2,-0.3 330,-0.1 334,-0.0 0.629 108.5 74.5 81.7 11.1 4.0 -14.8 64.5 91 153 A R < - 0 0 31 -3,-1.1 2,-0.4 -14,-0.0 -1,-0.2 -0.956 69.9-129.1-143.4 166.4 2.0 -13.7 67.6 92 154 A V + 0 0 23 -2,-0.3 -11,-0.2 -3,-0.1 166,-0.1 -0.906 64.8 79.9-118.6 141.4 1.3 -10.4 69.3 93 155 A G + 0 0 0 -2,-0.4 -10,-2.5 1,-0.2 2,-0.3 0.533 53.6 125.9 122.5 80.0 1.7 -9.7 73.1 94 156 A S E -ef 83 258A 2 163,-2.2 165,-2.1 -12,-0.3 2,-0.4 -0.993 38.4-155.8-158.0 150.2 5.2 -9.2 74.5 95 157 A V E +ef 84 259A 0 -12,-2.6 -10,-2.6 -9,-0.5 -9,-0.6 -0.972 24.9 172.2-133.1 125.2 7.3 -6.8 76.5 96 158 A I E - f 0 260A 12 163,-2.0 165,-2.6 -2,-0.4 2,-0.1 -0.793 28.5-111.8-124.5 165.2 11.0 -6.8 76.0 97 159 A L E - 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