==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION/DNA 20-MAR-03 1OSL . COMPND 2 MOLECULE: LACTOSE OPERON REPRESSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.G.KALODIMOS,A.M.J.J.BONVIN,R.BOELENS,R.KAPTEIN . 124 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9345.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 66 53.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 6 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 37.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A M 0 0 209 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 125.1 0.4 6.2 -17.8 2 2 A K - 0 0 102 54,-0.0 3,-0.1 3,-0.0 48,-0.1 -0.928 360.0-145.6-147.5 118.2 -1.7 4.7 -15.1 3 3 A P - 0 0 39 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.066 51.8 -41.6 -67.2-173.7 -4.2 1.8 -15.3 4 4 A V - 0 0 20 41,-0.3 2,-0.3 38,-0.1 38,-0.0 -0.044 52.5-163.1 -54.5 148.8 -7.4 1.4 -13.4 5 5 A T >> - 0 0 42 -3,-0.1 4,-1.5 42,-0.1 3,-1.1 -0.838 39.6-103.6-124.5 162.1 -7.7 2.2 -9.7 6 6 A L H 3> S+ 0 0 13 -2,-0.3 4,-2.3 1,-0.3 14,-0.1 0.792 124.2 63.0 -60.1 -22.8 -10.4 1.2 -7.4 7 7 A Y H 3> S+ 0 0 142 2,-0.2 4,-2.8 1,-0.2 -1,-0.3 0.859 99.6 53.2 -65.3 -36.9 -11.6 4.8 -7.7 8 8 A D H <> S+ 0 0 71 -3,-1.1 4,-2.8 2,-0.2 -2,-0.2 0.909 111.2 44.1 -65.8 -45.1 -12.2 4.1 -11.4 9 9 A V H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 5,-0.2 0.900 113.2 53.4 -67.3 -39.9 -14.3 1.1 -10.8 10 10 A A H X>S+ 0 0 3 -4,-2.3 5,-2.9 2,-0.2 4,-1.7 0.934 113.3 41.4 -59.5 -48.3 -16.0 3.0 -8.0 11 11 A E H <5S+ 0 0 154 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.944 116.1 49.1 -65.6 -50.1 -16.9 5.9 -10.4 12 12 A Y H <5S+ 0 0 109 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.772 113.6 47.6 -61.4 -27.8 -17.8 3.6 -13.2 13 13 A A H <5S- 0 0 8 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.762 112.4-122.1 -84.3 -27.3 -20.0 1.6 -10.9 14 14 A G T <5S+ 0 0 52 -4,-1.7 2,-0.3 1,-0.4 -3,-0.2 0.821 74.1 110.7 88.5 35.1 -21.6 4.7 -9.5 15 15 A V S > - 0 0 85 -2,-0.3 4,-1.5 1,-0.1 3,-1.0 -0.198 38.6-115.4 -56.1 152.0 -18.2 5.6 -3.5 17 17 A Y H 3> S+ 0 0 59 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.923 116.2 54.1 -53.4 -51.1 -14.7 4.2 -3.5 18 18 A Q H 3> S+ 0 0 130 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.710 104.8 59.7 -60.7 -21.2 -15.0 3.0 0.1 19 19 A T H <> S+ 0 0 31 -3,-1.0 4,-1.2 2,-0.2 3,-0.2 0.990 114.2 30.0 -70.1 -62.5 -18.1 1.1 -1.0 20 20 A V H X S+ 0 0 0 -4,-1.5 4,-2.9 1,-0.2 5,-0.2 0.796 114.4 64.3 -69.5 -29.9 -16.6 -1.1 -3.7 21 21 A S H X S+ 0 0 27 -4,-2.9 4,-0.7 -5,-0.3 -1,-0.2 0.932 107.1 42.1 -58.3 -44.8 -13.3 -1.2 -1.9 22 22 A R H X>S+ 0 0 108 -4,-1.3 5,-2.4 -5,-0.2 4,-1.1 0.787 111.4 59.3 -71.4 -26.5 -15.0 -3.0 1.0 23 23 A V H ><5S+ 0 0 21 -4,-1.2 3,-0.7 3,-0.2 -2,-0.2 0.947 103.0 48.7 -66.0 -50.2 -16.8 -5.0 -1.7 24 24 A V H 3<5S+ 0 0 71 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.694 118.0 43.6 -64.4 -17.9 -13.6 -6.4 -3.2 25 25 A N H 3<5S- 0 0 85 -4,-0.7 -1,-0.2 -5,-0.2 -2,-0.2 0.569 144.5 -47.4-105.6 -11.0 -12.5 -7.3 0.3 26 26 A Q T <<5 - 0 0 144 -4,-1.1 -3,-0.2 -3,-0.7 -4,-0.1 -0.005 51.7-149.9 176.8 -55.6 -15.7 -8.8 1.7 27 27 A A > < + 0 0 9 -5,-2.4 3,-0.5 -8,-0.1 -4,-0.1 0.933 33.4 160.9 59.1 51.7 -18.8 -6.6 1.0 28 28 A S T 3 S+ 0 0 70 1,-0.3 2,-1.0 -6,-0.2 -5,-0.0 0.982 71.0 32.7 -64.8 -60.8 -20.6 -7.8 4.2 29 29 A H T 3 S+ 0 0 165 2,-0.0 2,-0.3 0, 0.0 -1,-0.3 -0.653 94.5 119.2-101.6 75.2 -23.2 -5.0 4.5 30 30 A V < - 0 0 19 -2,-1.0 -11,-0.0 -3,-0.5 3,-0.0 -0.992 57.3-119.1-139.3 147.1 -23.8 -4.2 0.8 31 31 A S > - 0 0 65 -2,-0.3 4,-1.2 1,-0.1 5,-0.1 -0.135 28.2-108.4 -77.6 176.6 -26.9 -4.4 -1.4 32 32 A A H >> S+ 0 0 69 2,-0.2 4,-1.9 1,-0.2 3,-0.9 0.997 112.3 44.0 -70.2 -68.4 -27.4 -6.5 -4.6 33 33 A K H 3> S+ 0 0 148 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.806 110.2 60.1 -49.3 -35.0 -27.3 -3.9 -7.4 34 34 A T H 3> S+ 0 0 17 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.939 105.7 45.0 -60.8 -46.2 -24.3 -2.3 -5.8 35 35 A R H > - 0 0 41 -2,-0.4 3,-1.4 -3,-0.1 4,-1.3 -0.834 43.9-108.7-116.8 155.6 6.2 -8.2 5.2 69 6 B L H 3> S+ 0 0 0 -2,-0.3 4,-2.3 1,-0.3 14,-0.1 0.788 121.9 65.1 -60.0 -20.4 9.4 -7.1 3.6 70 7 B Y H 3> S+ 0 0 148 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.862 97.6 54.3 -63.5 -37.2 9.7 -4.9 6.7 71 8 B D H <> S+ 0 0 65 -3,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.899 110.0 44.1 -65.4 -44.7 10.1 -8.1 8.7 72 9 B V H X S+ 0 0 0 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.900 112.9 54.0 -67.5 -40.1 12.9 -9.4 6.6 73 10 B A H X>S+ 0 0 1 -4,-2.3 5,-3.0 2,-0.2 4,-1.7 0.922 112.1 42.5 -60.0 -47.0 14.4 -5.9 6.7 74 11 B E H <5S+ 0 0 152 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.942 114.5 50.3 -66.0 -49.5 14.3 -5.8 10.5 75 12 B Y H <5S+ 0 0 125 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.784 114.5 45.5 -59.8 -28.2 15.6 -9.4 10.8 76 13 B A H <5S- 0 0 8 -4,-1.9 -1,-0.3 2,-0.2 -2,-0.2 0.746 112.6-122.8 -86.7 -26.5 18.4 -8.5 8.4 77 14 B G T <5S+ 0 0 57 -4,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.799 72.8 110.3 88.4 33.4 19.1 -5.3 10.3 78 15 B V S > - 0 0 83 -2,-0.3 3,-1.7 2,-0.1 4,-1.7 -0.126 44.0-111.0 -51.1 156.6 16.1 -0.5 6.0 80 17 B Y H 3> S+ 0 0 56 1,-0.3 4,-4.0 2,-0.2 3,-0.3 0.983 122.6 43.2 -56.6 -58.3 13.2 -1.9 4.1 81 18 B Q H 34 S+ 0 0 125 2,-0.2 -1,-0.3 3,-0.2 4,-0.1 0.305 102.1 72.9 -72.7 7.7 14.3 -0.5 0.9 82 19 B T H <> S+ 0 0 31 -3,-1.7 4,-0.7 3,-0.1 -1,-0.2 0.901 118.7 16.9 -72.5 -62.6 17.8 -1.7 1.8 83 20 B V H X S+ 0 0 0 -4,-1.7 4,-3.1 -3,-0.3 -2,-0.2 0.788 122.8 63.2 -74.9 -35.9 16.5 -5.2 1.2 84 21 B S H X S+ 0 0 8 -4,-4.0 4,-1.3 -5,-0.3 -3,-0.2 0.869 103.5 50.3 -60.4 -35.0 13.5 -4.2 -0.9 85 22 B R H >>S+ 0 0 130 -5,-0.3 5,-2.9 2,-0.2 4,-0.8 0.859 110.8 51.3 -67.9 -33.4 15.8 -2.7 -3.4 86 23 B V H ><5S+ 0 0 23 -4,-0.7 3,-0.8 3,-0.2 -2,-0.3 0.935 109.7 47.6 -65.7 -49.8 17.5 -6.1 -3.2 87 24 B V H 3<5S+ 0 0 51 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.716 112.9 50.6 -66.0 -20.2 14.3 -7.9 -3.8 88 25 B N H 3<5S- 0 0 73 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.613 142.7 -59.6 -97.7 -10.5 13.5 -5.6 -6.7 89 26 B Q T <<5 - 0 0 149 -3,-0.8 -3,-0.2 -4,-0.8 -4,-0.1 -0.071 51.2-146.6 163.6 -44.5 16.9 -6.0 -8.5 90 27 B A < + 0 0 7 -5,-2.9 3,-0.3 2,-0.1 -4,-0.2 0.868 41.9 150.9 52.5 45.1 19.6 -4.8 -6.1 91 28 B S S S+ 0 0 71 1,-0.3 2,-0.3 -6,-0.2 -1,-0.1 0.598 71.0 45.9 -77.7 -11.2 21.8 -3.5 -9.0 92 29 B H S S+ 0 0 142 -7,-0.1 -1,-0.3 2,-0.0 2,-0.2 -0.744 93.6 85.8-135.4 85.2 23.2 -1.0 -6.5 93 30 B V - 0 0 47 -2,-0.3 2,-0.2 -3,-0.3 3,-0.1 -0.869 67.1 -92.9-158.9-171.4 24.1 -2.6 -3.2 94 31 B S > - 0 0 54 -2,-0.2 4,-1.2 1,-0.1 -2,-0.0 -0.634 32.1-111.5-112.8 174.1 26.9 -4.4 -1.3 95 32 B A H >> S+ 0 0 51 -2,-0.2 4,-1.8 2,-0.2 3,-0.6 0.993 111.4 47.6 -68.5 -64.1 27.6 -8.1 -0.8 96 33 B K H 3> S+ 0 0 150 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.788 107.7 59.9 -49.4 -35.4 26.9 -8.5 3.0 97 34 B T H 3> S+ 0 0 21 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.958 105.5 44.8 -61.6 -50.7 23.6 -6.7 2.5 98 35 B R H