==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GENE REGULATION 16-OCT-98 1BYK . COMPND 2 MOLECULE: PROTEIN (TREHALOSE OPERON REPRESSOR); . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR U.HARS,R.HORLACHER,W.BOOS,W.WELTE,K.DIEDERICHS . 510 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21464.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 369 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 88 17.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.2 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 . 40 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 166 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 3.5 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 0 2 2 0 0 0 0 2 4 2 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 6 10 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 2 0 0 0 0 0 0 1 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 61 A S 0 0 161 0, 0.0 312,-0.0 0, 0.0 57,-0.0 0.000 360.0 360.0 360.0 -19.8 -2.7 -0.6 16.9 2 62 A D - 0 0 41 307,-0.1 2,-0.7 1,-0.1 31,-0.1 -0.281 360.0-113.6 -62.5 147.8 0.9 0.6 16.2 3 63 A K + 0 0 102 29,-0.4 31,-2.7 56,-0.1 2,-0.4 -0.779 45.9 168.5 -88.9 115.6 3.5 -2.1 15.5 4 64 A V E -a 34 0A 3 -2,-0.7 56,-1.8 54,-0.3 57,-0.7 -0.986 16.7-168.7-130.6 140.8 6.0 -2.1 18.3 5 65 A V E -ab 35 61A 1 29,-1.3 31,-2.1 -2,-0.4 2,-0.4 -0.962 15.1-139.5-127.8 141.3 8.7 -4.6 19.1 6 66 A A E -ab 36 62A 0 55,-2.9 57,-2.8 -2,-0.4 2,-0.6 -0.882 7.5-161.9-108.9 138.8 10.8 -4.7 22.4 7 67 A I E -ab 37 63A 0 29,-2.9 31,-1.8 -2,-0.4 2,-0.8 -0.964 7.4-163.1-117.2 111.9 14.5 -5.4 22.7 8 68 A I E -ab 38 64A 0 55,-3.2 57,-3.0 -2,-0.6 31,-0.2 -0.838 12.8-179.1-102.0 100.4 15.5 -6.5 26.2 9 69 A V E -a 39 0A 6 29,-2.1 31,-2.1 -2,-0.8 32,-0.3 -0.431 29.0-134.3 -87.5 167.4 19.3 -6.1 26.6 10 70 A T S S+ 0 0 1 1,-0.3 31,-1.9 29,-0.2 2,-0.4 0.892 91.0 20.8 -89.3 -46.3 21.1 -7.0 29.9 11 71 A R > - 0 0 61 29,-0.1 3,-1.5 30,-0.1 -1,-0.3 -0.980 59.2-156.2-129.6 123.8 23.3 -3.9 30.1 12 72 A L T 3 S+ 0 0 25 -2,-0.4 -1,-0.1 1,-0.3 262,-0.0 0.639 99.5 51.7 -67.8 -16.7 22.6 -0.6 28.3 13 73 A D T 3 S+ 0 0 79 261,-0.1 2,-0.5 -3,-0.0 -1,-0.3 0.197 79.5 116.0-105.2 9.1 26.3 0.2 28.4 14 74 A S <> - 0 0 10 -3,-1.5 4,-1.5 1,-0.2 5,-0.1 -0.743 47.9-164.7 -80.2 121.0 27.5 -3.1 26.9 15 75 A L H > S+ 0 0 57 -2,-0.5 4,-2.3 2,-0.2 5,-0.2 0.928 88.6 56.7 -73.5 -42.0 29.2 -2.3 23.6 16 76 A S H > S+ 0 0 28 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.805 111.5 43.9 -57.2 -33.5 29.1 -5.9 22.4 17 77 A E H > S+ 0 0 19 2,-0.2 4,-1.5 -6,-0.2 -1,-0.2 0.832 109.7 55.4 -81.1 -34.5 25.3 -5.9 22.9 18 78 A N H X S+ 0 0 18 -4,-1.5 4,-3.3 1,-0.2 -2,-0.2 0.862 98.7 62.4 -66.0 -35.9 24.8 -2.5 21.3 19 79 A L H X S+ 0 0 28 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.886 108.0 42.9 -56.9 -39.9 26.6 -3.7 18.1 20 80 A A H X S+ 0 0 0 -4,-0.7 4,-0.7 -3,-0.2 -1,-0.2 0.822 114.3 50.5 -74.4 -34.4 23.8 -6.3 17.6 21 81 A V H >X S+ 0 0 3 -4,-1.5 4,-2.0 1,-0.2 3,-0.6 0.874 100.5 65.3 -71.2 -36.2 21.1 -3.7 18.5 22 82 A Q H 3< S+ 0 0 94 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.817 108.7 37.7 -54.5 -38.0 22.6 -1.3 16.0 23 83 A T H 3X S+ 0 0 25 -4,-0.8 4,-0.9 -3,-0.2 -1,-0.3 0.576 109.7 64.1 -90.5 -14.1 21.7 -3.5 13.1 24 84 A M H S+ 0 0 73 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.914 111.5 52.1 -53.1 -46.0 17.1 -0.6 10.7 27 87 A A H X S+ 0 0 20 -4,-0.9 4,-1.4 1,-0.2 -2,-0.2 0.890 112.4 44.8 -58.2 -42.9 15.6 -4.0 10.1 28 88 A F H X>S+ 0 0 0 -4,-2.1 5,-2.8 2,-0.2 4,-0.6 0.922 111.7 51.3 -69.1 -45.2 12.6 -3.3 12.4 29 89 A Y H ><5S+ 0 0 70 -4,-3.0 3,-0.9 1,-0.2 -2,-0.2 0.896 109.7 51.8 -57.9 -40.5 12.0 0.2 11.0 30 90 A E H 3<5S+ 0 0 163 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.844 108.4 50.2 -65.3 -35.0 12.0 -1.3 7.5 31 91 A Q H 3<5S- 0 0 82 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.548 124.5-105.6 -81.0 -5.3 9.4 -3.9 8.6 32 92 A G T <<5S+ 0 0 46 -3,-0.9 2,-0.5 -4,-0.6 -29,-0.4 0.619 76.8 131.2 91.7 17.2 7.3 -1.1 10.1 33 93 A Y < - 0 0 12 -5,-2.8 -1,-0.3 -6,-0.1 -29,-0.2 -0.883 50.5-142.8-107.4 127.8 8.0 -1.7 13.8 34 94 A D E -a 4 0A 10 -31,-2.7 -29,-1.3 -2,-0.5 2,-0.3 -0.785 27.6-139.6 -87.8 117.2 9.0 1.0 16.2 35 95 A P E -a 5 0A 2 0, 0.0 2,-0.4 0, 0.0 260,-0.3 -0.591 17.6-168.6 -82.3 141.1 11.6 -0.6 18.6 36 96 A I E -a 6 0A 11 -31,-2.1 -29,-2.9 -2,-0.3 2,-0.3 -0.952 13.0-140.6-125.2 142.3 11.7 0.1 22.4 37 97 A M E +aC 7 293A 4 256,-2.7 256,-2.7 -2,-0.4 2,-0.3 -0.743 17.6 179.2-104.0 156.7 14.6 -1.0 24.7 38 98 A M E -a 8 0A 0 -31,-1.8 -29,-2.1 -2,-0.3 2,-0.4 -0.937 19.4-134.4-147.6 158.8 14.6 -2.4 28.2 39 99 A E E +a 9 0A 19 252,-0.3 -29,-0.2 -2,-0.3 -28,-0.1 -0.979 16.9 179.7-124.3 135.1 17.4 -3.5 30.5 40 100 A S > - 0 0 0 -31,-2.1 3,-1.9 -2,-0.4 6,-0.2 0.728 21.0-153.1-102.5 -30.2 17.4 -6.7 32.6 41 101 A Q T 3 S- 0 0 90 -31,-1.9 -31,-0.1 -32,-0.3 -30,-0.1 0.878 71.5 -63.8 54.8 38.5 20.8 -6.4 34.4 42 102 A F T 3 S+ 0 0 82 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.580 100.9 138.6 62.4 17.6 20.9 -10.2 34.6 43 103 A S <> - 0 0 30 -3,-1.9 4,-2.0 1,-0.2 3,-0.4 -0.802 39.5-165.5 -98.2 107.5 17.8 -10.3 36.8 44 104 A P H > S+ 0 0 27 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.878 92.1 52.3 -55.4 -39.6 15.3 -13.0 35.9 45 105 A Q H > S+ 0 0 135 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.851 107.1 51.3 -69.0 -32.6 12.6 -11.4 38.1 46 106 A L H > S+ 0 0 30 -3,-0.4 4,-2.8 -6,-0.2 -1,-0.2 0.896 110.5 49.4 -68.9 -41.1 13.1 -8.0 36.3 47 107 A V H X S+ 0 0 0 -4,-2.0 4,-3.1 2,-0.2 5,-0.2 0.951 108.5 52.9 -60.8 -47.8 12.7 -9.7 32.9 48 108 A A H X S+ 0 0 47 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.862 111.5 48.0 -56.3 -34.2 9.6 -11.4 34.2 49 109 A E H X S+ 0 0 112 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.922 110.6 49.3 -72.9 -46.1 8.4 -8.0 35.2 50 110 A H H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.931 108.2 54.5 -58.5 -47.6 9.2 -6.5 31.8 51 111 A L H X S+ 0 0 5 -4,-3.1 4,-2.8 1,-0.2 -1,-0.2 0.833 107.6 49.7 -57.3 -36.7 7.5 -9.3 29.9 52 112 A G H X S+ 0 0 11 -4,-1.2 4,-2.5 -5,-0.2 -1,-0.2 0.915 110.6 48.9 -70.1 -42.6 4.2 -8.7 31.7 53 113 A V H < S+ 0 0 10 -4,-1.8 4,-0.3 2,-0.2 -2,-0.2 0.897 114.4 47.4 -61.7 -40.4 4.3 -5.0 31.1 54 114 A L H ><>S+ 0 0 3 -4,-2.5 5,-1.7 1,-0.2 3,-1.7 0.958 111.1 49.8 -65.6 -50.4 5.0 -5.7 27.4 55 115 A K H ><5S+ 0 0 84 -4,-2.8 3,-1.6 1,-0.3 -2,-0.2 0.890 107.6 54.0 -56.2 -45.2 2.2 -8.3 27.2 56 116 A R T 3<5S+ 0 0 141 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.532 110.6 47.5 -70.1 -6.9 -0.4 -6.0 28.7 57 117 A R T < 5S- 0 0 27 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.221 114.2-115.6-116.4 13.9 0.4 -3.4 26.2 58 118 A N T < 5 - 0 0 123 -3,-1.6 -54,-0.3 1,-0.2 2,-0.3 0.829 40.4-175.8 56.9 40.7 0.3 -5.7 23.2 59 119 A I < - 0 0 14 -5,-1.7 -1,-0.2 1,-0.1 -54,-0.2 -0.540 23.3-138.0 -67.0 128.3 3.9 -5.5 22.1 60 120 A D - 0 0 62 -56,-1.8 2,-0.3 -2,-0.3 -55,-0.2 0.846 69.8 -10.6 -58.3 -41.2 4.1 -7.5 18.9 61 121 A G E -b 5 0A 1 -57,-0.7 -55,-2.9 2,-0.0 2,-0.4 -0.979 57.2-139.1-157.5 167.4 7.4 -9.3 19.6 62 122 A V E -bd 6 82A 0 19,-1.7 21,-2.6 -2,-0.3 2,-0.6 -0.994 4.1-160.3-138.4 137.4 10.4 -9.4 21.8 63 123 A V E -bd 7 83A 0 -57,-2.8 -55,-3.2 -2,-0.4 2,-0.5 -0.983 24.2-168.9-113.0 113.4 14.1 -9.9 21.3 64 124 A L E -bd 8 84A 0 19,-2.3 21,-2.0 -2,-0.6 2,-0.9 -0.942 20.8-139.0-110.8 120.0 15.5 -11.0 24.7 65 125 A F E - d 0 85A 6 -57,-3.0 21,-0.3 -2,-0.5 19,-0.1 -0.679 35.3-139.1 -76.1 107.6 19.2 -11.2 25.3 66 126 A G + 0 0 6 19,-2.1 2,-0.3 -2,-0.9 -56,-0.1 -0.206 29.3 167.6 -70.6 160.1 19.4 -14.4 27.3 67 127 A F > - 0 0 9 19,-0.0 3,-1.4 62,-0.0 2,-0.2 -0.945 48.8 -64.4-160.2 166.6 21.5 -15.1 30.4 68 128 A T T 3 S+ 0 0 79 -2,-0.3 3,-0.1 1,-0.2 58,-0.0 -0.430 116.4 43.9 -63.9 124.1 21.8 -17.8 33.1 69 129 A G T 3 S+ 0 0 40 1,-0.4 2,-0.5 -2,-0.2 -1,-0.2 0.274 74.8 123.2 125.0 -12.1 18.6 -17.8 35.2 70 130 A I < - 0 0 34 -3,-1.4 -1,-0.4 3,-0.0 2,-0.3 -0.740 46.3-157.8 -83.3 124.7 15.9 -17.5 32.4 71 131 A T >> - 0 0 61 -2,-0.5 3,-0.7 -3,-0.1 4,-0.7 -0.745 25.6-125.2-103.9 154.9 13.5 -20.4 32.7 72 132 A E T 34 S+ 0 0 90 -2,-0.3 4,-0.3 1,-0.2 3,-0.2 0.750 107.2 66.9 -66.2 -23.2 11.2 -21.7 29.9 73 133 A E T 34 S+ 0 0 135 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.804 97.6 49.2 -69.6 -32.3 8.3 -21.2 32.3 74 134 A M T <4 S+ 0 0 39 -3,-0.7 3,-0.4 1,-0.2 -1,-0.2 0.727 110.4 51.8 -80.5 -19.3 8.5 -17.4 32.3 75 135 A L S >< S+ 0 0 1 -4,-0.7 3,-2.2 1,-0.2 -1,-0.2 0.431 78.6 103.6 -94.1 -0.7 8.7 -17.3 28.5 76 136 A A G > S+ 0 0 43 -3,-0.5 3,-0.8 -4,-0.3 -1,-0.2 0.757 75.6 55.8 -54.1 -31.3 5.6 -19.5 28.1 77 137 A H G 3 S+ 0 0 131 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.291 111.4 45.4 -87.3 12.0 3.3 -16.5 27.1 78 138 A W G < + 0 0 12 -3,-2.2 3,-0.5 2,-0.1 4,-0.3 0.049 68.0 131.0-140.0 24.1 5.7 -15.6 24.3 79 139 A Q S < S+ 0 0 121 -3,-0.8 14,-0.3 1,-0.2 3,-0.3 0.849 86.0 26.9 -48.1 -47.3 6.4 -19.0 22.6 80 140 A S S S+ 0 0 79 1,-0.2 -1,-0.2 12,-0.1 -2,-0.1 0.513 122.5 52.0 -97.5 -8.0 5.8 -17.7 19.0 81 141 A S S S+ 0 0 26 -3,-0.5 -19,-1.7 158,-0.1 2,-0.3 -0.020 94.7 74.1-122.5 37.0 6.6 -14.1 19.5 82 142 A L E -d 62 0A 0 -4,-0.3 11,-0.7 -3,-0.3 2,-0.5 -0.998 52.2-158.6-150.5 142.8 10.0 -14.0 21.0 83 143 A V E -de 63 93A 0 -21,-2.6 -19,-2.3 -2,-0.3 11,-0.2 -0.977 15.8-140.6-125.6 124.0 13.6 -14.6 20.0 84 144 A L E -de 64 94A 6 9,-3.0 11,-1.9 -2,-0.5 2,-0.3 -0.555 16.0-163.5 -77.8 145.5 16.5 -15.4 22.4 85 145 A L E S+de 65 95A 0 -21,-2.0 -19,-2.1 -2,-0.2 2,-0.3 -0.997 71.8 12.3-128.2 165.9 19.8 -13.8 21.7 86 146 A A S S+ 0 0 25 9,-1.1 11,-0.3 -2,-0.3 2,-0.3 -0.161 124.8 41.5 -35.8 -11.2 23.0 -15.1 23.3 87 147 A R S S- 0 0 39 -2,-0.3 2,-0.3 9,-0.1 8,-0.2 -0.908 74.2-121.8-136.2 162.3 21.5 -18.4 24.6 88 148 A D - 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