==== 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 03-SEP-08 3EDC . COMPND 2 MOLECULE: LACTOSE OPERON REPRESSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K12; . AUTHOR K.A.E.STENBERG . 1200 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43582.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 897 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 185 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 1.7 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 . 4 0.3 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 . 88 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 448 37.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 32 2.7 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 4 0 1 10 2 3 11 5 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 12 0 8 15 4 2 2 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 1 0 1 3 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 61 A S 0 0 162 0, 0.0 2,-0.4 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 71.8 54.9 0.5 30.8 2 62 A L - 0 0 78 29,-0.3 31,-2.9 57,-0.1 2,-0.6 -0.652 360.0-152.9 -92.8 133.8 53.6 -1.2 27.6 3 63 A L E -a 33 0A 20 -2,-0.4 57,-2.9 55,-0.2 58,-0.9 -0.891 5.4-162.7-120.7 113.9 53.2 0.9 24.5 4 64 A I E -ab 34 61A 3 29,-3.2 31,-2.4 -2,-0.6 2,-0.5 -0.797 8.7-151.6 -95.8 128.4 50.7 0.2 21.8 5 65 A G E -ab 35 62A 0 56,-2.9 58,-3.0 -2,-0.5 2,-0.5 -0.869 9.6-167.3 -98.9 131.9 51.1 1.7 18.4 6 66 A V E -ab 36 63A 1 29,-2.3 31,-3.5 -2,-0.5 2,-0.6 -0.981 7.1-162.9-119.4 123.0 48.1 2.5 16.2 7 67 A A E -ab 37 64A 0 56,-2.6 58,-3.0 -2,-0.5 2,-0.3 -0.939 26.1-179.3-101.3 123.1 48.3 3.4 12.5 8 68 A T E -ab 38 65A 6 29,-2.6 31,-3.4 -2,-0.6 58,-0.2 -0.927 35.1 -92.5-129.4 151.5 45.0 4.9 11.4 9 69 A S E -a 39 0A 21 56,-1.5 3,-0.2 -2,-0.3 31,-0.1 -0.298 33.1-149.2 -45.5 139.1 43.2 6.4 8.4 10 70 A S + 0 0 19 29,-1.1 31,-0.1 1,-0.2 316,-0.1 -0.188 68.5 99.9-118.4 36.1 43.7 10.3 8.3 11 71 A L S S- 0 0 62 29,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.322 89.8-119.3-107.5 4.2 40.5 11.4 6.7 12 72 A A + 0 0 25 -3,-0.2 2,-0.3 1,-0.2 307,-0.1 0.927 55.1 165.5 54.6 39.9 38.7 12.5 9.9 13 73 A L > - 0 0 24 1,-0.1 4,-1.5 -4,-0.1 -1,-0.2 -0.701 42.0-126.6 -83.5 147.3 36.1 9.9 9.1 14 74 A H H > S+ 0 0 9 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.864 101.0 56.6 -73.9 -33.0 33.9 9.2 12.1 15 75 A A H > S+ 0 0 15 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.953 108.1 46.3 -65.3 -49.9 34.3 5.5 12.3 16 76 A P H > S+ 0 0 18 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.878 112.5 51.8 -60.5 -35.8 38.1 5.4 12.5 17 77 A S H X S+ 0 0 13 -4,-1.5 4,-2.5 2,-0.2 295,-0.2 0.924 109.5 48.5 -62.8 -47.2 38.0 8.2 15.2 18 78 A Q H X S+ 0 0 27 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.916 110.5 53.7 -58.5 -40.1 35.5 6.2 17.3 19 79 A I H X S+ 0 0 13 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.921 109.9 45.0 -62.6 -46.3 37.8 3.2 16.9 20 80 A V H X S+ 0 0 2 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.898 111.3 53.6 -69.4 -34.5 40.9 4.9 18.1 21 81 A A H X S+ 0 0 16 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.920 110.3 48.5 -57.2 -41.3 38.9 6.5 21.0 22 82 A A H X S+ 0 0 11 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.822 109.0 52.5 -71.7 -32.0 37.8 3.0 21.9 23 83 A I H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.939 109.2 50.0 -67.0 -46.2 41.4 1.6 21.7 24 84 A K H X S+ 0 0 26 -4,-2.6 4,-3.5 2,-0.2 5,-0.2 0.915 108.6 52.1 -56.2 -45.7 42.5 4.4 24.1 25 85 A S H X S+ 0 0 42 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.933 113.0 43.9 -59.5 -48.2 39.8 3.6 26.7 26 86 A R H X S+ 0 0 54 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.925 115.2 49.2 -62.8 -43.6 40.6 -0.1 26.8 27 87 A A H X>S+ 0 0 0 -4,-2.6 5,-2.2 1,-0.2 4,-0.7 0.938 109.9 51.4 -60.6 -50.0 44.3 0.8 26.9 28 88 A D H ><5S+ 0 0 40 -4,-3.5 3,-1.4 1,-0.2 -1,-0.2 0.936 108.3 52.9 -49.0 -49.8 43.7 3.3 29.7 29 89 A Q H 3<5S+ 0 0 105 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.839 113.6 42.8 -56.6 -36.4 41.8 0.6 31.7 30 90 A L H 3<5S- 0 0 77 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.417 114.2-114.1 -93.5 1.4 44.7 -1.9 31.4 31 91 A G T <<5S+ 0 0 58 -3,-1.4 -29,-0.3 -4,-0.7 2,-0.3 0.706 70.6 136.1 71.8 18.6 47.4 0.7 32.1 32 92 A A < - 0 0 9 -5,-2.2 -1,-0.3 -6,-0.2 2,-0.2 -0.699 49.0-128.9 -91.0 153.8 48.9 0.5 28.6 33 93 A S E -a 3 0A 51 -31,-2.9 -29,-3.2 -2,-0.3 2,-0.4 -0.649 16.5-151.1 -98.3 159.2 50.0 3.5 26.7 34 94 A V E -a 4 0A 1 -2,-0.2 2,-0.4 -31,-0.2 305,-0.3 -0.997 11.8-174.7-135.7 129.0 49.0 4.4 23.1 35 95 A V E -a 5 0A 0 -31,-2.4 -29,-2.3 -2,-0.4 2,-0.4 -0.985 18.2-152.4-118.6 137.2 50.8 6.4 20.4 36 96 A V E -aC 6 337A 1 301,-2.0 301,-2.4 -2,-0.4 2,-0.5 -0.928 9.9-167.5-115.7 130.7 48.9 7.0 17.2 37 97 A S E -a 7 0A 8 -31,-3.5 -29,-2.6 -2,-0.4 2,-0.3 -0.975 17.4-141.1-114.1 131.6 50.4 7.5 13.7 38 98 A M E -a 8 0A 16 -2,-0.5 2,-0.5 297,-0.4 -29,-0.2 -0.710 11.8-145.1 -96.0 143.1 48.1 8.7 11.0 39 99 A V E -a 9 0A 1 -31,-3.4 -29,-1.1 -2,-0.3 8,-0.1 -0.911 10.5-129.3-117.4 126.5 48.3 7.4 7.5 40 100 A E > - 0 0 56 -2,-0.5 3,-0.8 -31,-0.1 6,-0.1 -0.173 35.3 -96.7 -66.3 165.7 47.8 9.4 4.3 41 101 A R T 3 S+ 0 0 181 1,-0.2 -1,-0.1 -31,-0.1 -32,-0.0 0.571 96.8 94.6 -60.1 -16.1 45.4 8.1 1.5 42 102 A S T 3 S- 0 0 92 1,-0.2 3,-0.3 2,-0.0 2,-0.3 0.454 77.4-133.2 -79.9 -1.5 48.1 6.5 -0.7 43 103 A G <> + 0 0 19 -3,-0.8 4,-2.1 1,-0.2 3,-0.2 -0.713 64.1 6.7 101.9-145.5 48.1 2.9 0.4 44 104 A V H > S+ 0 0 30 -2,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.801 125.0 49.8 -58.9 -37.6 50.9 0.4 1.2 45 105 A E H > S+ 0 0 131 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.929 112.3 48.1 -70.8 -45.2 53.9 2.7 1.2 46 106 A A H > S+ 0 0 5 2,-0.2 4,-2.0 -3,-0.2 -1,-0.2 0.905 114.0 48.1 -53.8 -45.1 52.2 5.3 3.5 47 107 A C H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.917 110.3 50.0 -70.1 -43.1 51.1 2.5 5.8 48 108 A K H X S+ 0 0 78 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.898 108.7 53.6 -55.7 -43.0 54.6 1.0 5.9 49 109 A A H X S+ 0 0 46 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.908 108.3 50.5 -61.6 -39.8 56.1 4.5 6.6 50 110 A A H X S+ 0 0 4 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.904 108.8 50.8 -64.6 -45.2 53.7 4.7 9.6 51 111 A V H X S+ 0 0 0 -4,-2.2 4,-3.2 2,-0.2 5,-0.2 0.916 109.4 50.8 -54.7 -49.2 54.7 1.3 10.9 52 112 A H H X S+ 0 0 130 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.930 109.8 51.0 -59.8 -41.4 58.4 2.3 10.7 53 113 A N H X S+ 0 0 48 -4,-2.2 4,-0.6 2,-0.2 -1,-0.2 0.931 113.5 43.7 -62.7 -41.1 57.7 5.5 12.6 54 114 A L H ><>S+ 0 0 0 -4,-2.3 5,-1.1 2,-0.2 3,-0.7 0.892 111.7 54.2 -69.8 -39.3 55.8 3.5 15.4 55 115 A L H ><5S+ 0 0 36 -4,-3.2 3,-2.0 1,-0.2 -2,-0.2 0.913 104.2 54.8 -57.8 -43.2 58.6 0.9 15.4 56 116 A A H 3<5S+ 0 0 68 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.726 100.7 61.8 -64.1 -17.9 61.1 3.7 16.0 57 117 A Q T <<5S- 0 0 11 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.335 115.7-117.2 -91.1 8.0 59.0 4.7 19.0 58 118 A R T < 5 + 0 0 213 -3,-2.0 -55,-0.2 1,-0.2 -3,-0.2 0.876 46.9 179.0 61.8 42.0 59.7 1.3 20.6 59 119 A V < - 0 0 11 -5,-1.1 -55,-0.2 1,-0.1 -1,-0.2 -0.474 29.1-145.0 -71.3 147.5 56.0 0.0 20.6 60 120 A S S S+ 0 0 43 -57,-2.9 2,-0.3 1,-0.2 -56,-0.2 0.519 81.1 3.8 -85.2 -14.0 55.4 -3.5 22.0 61 121 A G E -b 4 0A 2 -58,-0.9 -56,-2.9 22,-0.2 2,-0.4 -0.962 67.2-131.9-170.4 153.1 52.6 -4.1 19.4 62 122 A L E -bd 5 85A 0 22,-2.8 24,-2.1 -2,-0.3 2,-0.5 -0.964 4.2-163.1-123.2 134.8 50.8 -2.5 16.5 63 123 A I E -bd 6 86A 0 -58,-3.0 -56,-2.6 -2,-0.4 2,-0.9 -0.980 13.9-158.4-108.8 118.6 47.2 -2.1 15.6 64 124 A I E +bd 7 87A 0 22,-3.3 24,-2.4 -2,-0.5 2,-0.9 -0.833 16.5 173.6-104.1 98.0 46.7 -1.3 11.9 65 125 A N E +b 8 0A 7 -58,-3.0 -56,-1.5 -2,-0.9 22,-0.1 -0.679 45.6 102.4-107.0 74.7 43.4 0.4 11.4 66 126 A Y S S- 0 0 11 -2,-0.9 23,-0.4 -58,-0.2 2,-0.3 -0.969 80.1 -98.8-160.9 132.0 43.9 1.2 7.7 67 127 A P + 0 0 34 0, 0.0 2,-0.4 0, 0.0 23,-0.2 -0.473 44.7 178.7 -70.4 125.4 42.4 -0.5 4.7 68 128 A L - 0 0 2 21,-2.4 23,-0.4 -2,-0.3 63,-0.1 -0.984 24.7-134.2-130.7 128.7 44.9 -2.9 3.1 69 129 A D > - 0 0 54 -2,-0.4 4,-2.6 61,-0.1 3,-0.5 -0.259 44.7 -92.0 -66.2 160.4 44.4 -5.2 0.1 70 130 A D H > S+ 0 0 63 1,-0.3 4,-1.7 2,-0.2 5,-0.1 0.857 123.9 37.7 -49.9 -52.2 45.6 -8.8 0.6 71 131 A Q H > S+ 0 0 145 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.799 115.9 54.7 -76.0 -27.1 49.2 -8.5 -0.7 72 132 A D H > S+ 0 0 52 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.876 106.0 51.2 -68.8 -38.3 49.6 -5.0 0.9 73 133 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.891 109.3 51.9 -65.9 -38.8 48.6 -6.3 4.3 74 134 A I H X S+ 0 0 57 -4,-1.7 4,-2.2 -5,-0.3 -1,-0.2 0.907 110.2 48.2 -62.6 -39.7 51.2 -9.0 4.0 75 135 A A H X S+ 0 0 32 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.903 110.8 50.4 -68.2 -42.1 53.8 -6.4 3.1 76 136 A V H X S+ 0 0 0 -4,-2.4 4,-0.5 1,-0.2 -2,-0.2 0.934 110.5 50.9 -63.8 -41.1 52.8 -4.2 6.1 77 137 A E H >< S+ 0 0 72 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.914 106.9 52.5 -61.9 -44.0 53.1 -7.2 8.3 78 138 A A H >< S+ 0 0 77 -4,-2.2 3,-1.2 1,-0.3 -1,-0.2 0.878 102.9 59.5 -62.0 -35.5 56.5 -8.1 7.0 79 139 A A H 3< S+ 0 0 29 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.673 90.6 75.4 -60.0 -15.9 57.6 -4.5 7.8 80 140 A C T X< S+ 0 0 3 -3,-1.6 3,-1.2 -4,-0.5 -1,-0.2 0.478 71.7 179.6 -84.4 -5.0 56.7 -5.2 11.5 81 141 A T T < + 0 0 108 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.0 -0.086 66.7 0.8 49.1-120.3 59.7 -7.3 12.2 82 142 A N T 3 S+ 0 0 162 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.943 111.7 91.6 -53.8 -48.4 59.6 -8.5 15.9 83 143 A V S < S- 0 0 20 -3,-1.2 -22,-0.2 1,-0.2 -23,-0.1 -0.150 77.9-110.4 -91.8 140.4 56.5 -7.0 17.0 84 144 A P - 0 0 32 0, 0.0 -22,-2.8 0, 0.0 2,-0.4 -0.236 33.7-163.4 -58.7 142.8 53.0 -8.3 17.0 85 145 A A E -d 62 0A 4 -24,-0.2 2,-0.4 -22,-0.0 12,-0.4 -0.995 9.2-168.0-134.8 135.9 50.6 -6.7 14.5 86 146 A L E -d 63 0A 0 -24,-2.1 -22,-3.3 -2,-0.4 2,-0.4 -0.997 11.8-150.1-129.0 127.7 46.8 -6.8 14.4 87 147 A F E +de 64 98A 0 10,-2.8 12,-1.9 -2,-0.4 -22,-0.2 -0.844 17.4 177.7-107.6 133.1 44.8 -5.6 11.3 88 148 A L S S+ 0 0 12 -24,-2.4 13,-0.2 -2,-0.4 -23,-0.2 0.282 75.7 49.8-114.7 0.5 41.3 -4.2 11.6 89 149 A D S S+ 0 0 24 -25,-0.5 -21,-2.4 -23,-0.4 2,-0.3 -0.519 86.2 94.5-145.3 71.3 40.6 -3.3 7.9 90 150 A V S S- 0 0 1 -23,-0.2 2,-0.1 -3,-0.2 -21,-0.1 -0.909 80.7 -80.9-143.8 165.4 41.4 -6.3 5.8 91 151 A S > - 0 0 11 -23,-0.4 3,-1.2 -2,-0.3 -2,-0.1 -0.500 37.6-126.1 -62.8 147.5 39.6 -9.2 4.3 92 152 A D T 3 S+ 0 0 43 1,-0.2 164,-0.2 -2,-0.1 -1,-0.1 0.600 109.3 64.1 -75.2 -8.5 39.1 -12.1 6.8 93 153 A Q T 3 S+ 0 0 161 2,-0.1 -1,-0.2 163,-0.0 163,-0.0 0.543 74.0 106.8 -88.5 -6.1 40.7 -14.3 4.2 94 154 A T S < S- 0 0 4 -3,-1.2 2,-1.9 1,-0.1 -4,-0.0 -0.579 79.5-121.5 -69.7 132.2 44.1 -12.5 4.4 95 155 A P S S+ 0 0 103 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.402 78.5 88.2 -78.8 70.4 46.7 -14.7 6.3 96 156 A I S S- 0 0 6 -2,-1.9 2,-0.6 -4,-0.1 -10,-0.1 -0.814 90.7 -73.3-147.9 178.7 47.6 -12.3 9.1 97 157 A N + 0 0 18 -12,-0.4 -10,-2.8 -2,-0.2 2,-0.3 -0.752 66.6 153.6 -88.6 123.1 46.2 -11.5 12.6 98 158 A S E -ef 87 256A 0 157,-2.4 159,-1.8 -2,-0.6 2,-0.4 -0.990 38.3-159.4-146.0 156.8 43.0 -9.5 12.3 99 159 A I E + f 0 257A 0 -12,-1.9 2,-0.3 -2,-0.3 159,-0.2 -0.964 30.1 161.7-135.1 121.3 39.7 -8.6 13.9 100 160 A I E - 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