==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-JUN-01 1JHF . COMPND 2 MOLECULE: LEXA REPRESSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.LUO,R.A.PFUETZNER,S.MOSIMANN,J.W.LITTLE,N.C.J.STRYNADKA . 308 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17358.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 213 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 95 30.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 1.3 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 . 35 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 1 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 . 1 0 3 5 5 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 2 A K 0 0 201 0, 0.0 2,-0.4 0, 0.0 51,-0.0 0.000 360.0 360.0 360.0 135.5 -41.1 50.6 35.3 2 3 A A - 0 0 78 0, 0.0 2,-0.3 0, 0.0 50,-0.0 -0.999 360.0-129.9-138.6 135.5 -38.2 49.0 33.4 3 4 A L - 0 0 46 -2,-0.4 2,-0.0 1,-0.1 46,-0.0 -0.623 23.1-128.6 -84.1 139.8 -35.7 50.4 31.0 4 5 A T > - 0 0 70 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.272 34.3 -97.6 -75.1 172.9 -35.1 48.6 27.7 5 6 A A H > S+ 0 0 80 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.923 125.4 43.9 -59.5 -46.1 -31.5 47.8 26.7 6 7 A R H > S+ 0 0 128 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.877 111.7 52.5 -67.6 -39.8 -31.2 50.9 24.5 7 8 A Q H > S+ 0 0 21 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.877 108.1 53.0 -63.5 -36.6 -32.8 53.2 27.1 8 9 A Q H X S+ 0 0 73 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.888 107.1 51.2 -65.1 -41.4 -30.3 51.9 29.7 9 10 A E H X S+ 0 0 99 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.883 111.5 47.1 -64.6 -38.5 -27.4 52.7 27.4 10 11 A V H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.942 114.0 47.7 -68.5 -43.8 -28.6 56.3 26.9 11 12 A F H X S+ 0 0 24 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.888 111.1 51.3 -62.7 -40.4 -29.2 56.7 30.7 12 13 A D H X S+ 0 0 39 -4,-2.7 4,-2.6 1,-0.2 78,-0.3 0.902 108.8 50.9 -63.7 -42.6 -25.8 55.3 31.5 13 14 A L H X S+ 0 0 15 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.900 109.4 51.0 -62.6 -41.2 -24.1 57.7 29.1 14 15 A I H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.956 112.5 45.6 -61.3 -49.2 -25.9 60.7 30.6 15 16 A R H X S+ 0 0 59 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.913 112.8 50.3 -62.0 -42.5 -24.8 59.7 34.2 16 17 A D H X S+ 0 0 23 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.889 108.8 52.3 -64.2 -38.6 -21.2 59.1 33.1 17 18 A H H X>S+ 0 0 47 -4,-2.3 4,-2.6 2,-0.2 6,-0.8 0.904 111.9 45.9 -62.9 -42.7 -21.0 62.5 31.3 18 19 A I H X5S+ 0 0 43 -4,-2.0 4,-1.7 4,-0.2 -2,-0.2 0.900 111.0 52.6 -67.5 -40.8 -22.2 64.3 34.5 19 20 A S H <5S+ 0 0 60 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.824 118.6 37.0 -64.1 -30.3 -19.8 62.2 36.7 20 21 A Q H <5S+ 0 0 109 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.786 140.3 9.6 -92.7 -31.7 -16.9 63.2 34.4 21 22 A T H <5S- 0 0 87 -4,-2.6 -3,-0.2 2,-0.3 -2,-0.2 0.510 88.6-124.0-124.5 -14.6 -17.8 66.8 33.5 22 23 A G S < - 0 0 34 -2,-0.1 4,-1.9 1,-0.1 5,-0.1 -0.379 29.7-108.2 -81.9 168.2 -25.9 67.0 23.9 27 28 A R H > S+ 0 0 59 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.852 121.8 52.9 -64.3 -33.9 -28.4 65.1 21.6 28 29 A A H > S+ 0 0 57 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.886 106.3 51.4 -68.1 -41.6 -25.6 65.1 18.9 29 30 A E H > S+ 0 0 68 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.899 110.1 50.5 -63.3 -39.3 -23.1 63.6 21.3 30 31 A I H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 6,-0.3 0.936 111.3 46.8 -64.3 -46.9 -25.6 60.8 22.2 31 32 A A H <>S+ 0 0 9 -4,-2.1 5,-2.1 1,-0.2 4,-0.3 0.872 114.6 48.1 -64.6 -35.5 -26.4 59.9 18.6 32 33 A Q H ><5S+ 0 0 156 -4,-2.1 3,-0.6 3,-0.2 -2,-0.2 0.926 113.4 45.1 -70.4 -47.1 -22.6 59.9 17.7 33 34 A R H 3<5S+ 0 0 161 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.852 122.2 37.2 -67.3 -36.3 -21.5 57.7 20.6 34 35 A L T 3<5S- 0 0 48 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.316 109.3-119.6-100.2 8.4 -24.3 55.2 20.3 35 36 A G T < 5 + 0 0 65 -3,-0.6 -3,-0.2 -4,-0.3 -4,-0.1 0.804 49.6 168.3 60.8 34.0 -24.4 55.3 16.4 36 37 A F < - 0 0 24 -5,-2.1 -1,-0.2 -6,-0.3 4,-0.0 -0.404 47.0-114.8 -75.2 156.4 -28.0 56.5 16.1 37 38 A R S S- 0 0 213 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.763 86.2 -24.2 -63.1 -25.4 -29.1 57.6 12.6 38 39 A S S >> S- 0 0 39 1,-0.1 3,-1.1 -11,-0.1 4,-1.1 -0.978 70.2 -85.9-175.7 167.0 -29.6 61.2 13.8 39 40 A P H 3> S+ 0 0 68 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.800 120.6 64.2 -55.8 -30.6 -30.2 63.6 16.8 40 41 A N H 3> S+ 0 0 126 1,-0.2 4,-1.4 2,-0.2 -12,-0.0 0.891 98.8 54.2 -60.3 -39.4 -34.0 63.0 16.3 41 42 A A H <> S+ 0 0 10 -3,-1.1 4,-1.1 1,-0.2 -1,-0.2 0.876 107.3 49.8 -63.2 -37.0 -33.4 59.4 17.2 42 43 A A H X S+ 0 0 0 -4,-1.1 4,-1.9 1,-0.2 -1,-0.2 0.875 104.9 58.3 -69.0 -37.7 -31.7 60.4 20.5 43 44 A E H X S+ 0 0 44 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.849 100.7 57.1 -60.7 -35.7 -34.6 62.7 21.4 44 45 A E H X S+ 0 0 112 -4,-1.4 4,-1.5 1,-0.2 -1,-0.2 0.913 107.3 46.1 -63.2 -44.0 -37.0 59.8 21.2 45 46 A H H X S+ 0 0 43 -4,-1.1 4,-1.8 1,-0.2 -1,-0.2 0.862 110.5 54.4 -67.1 -35.4 -35.1 57.7 23.8 46 47 A L H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.865 104.3 54.7 -65.6 -37.2 -34.8 60.8 26.0 47 48 A K H X S+ 0 0 111 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.902 107.8 49.7 -62.9 -40.7 -38.6 61.3 25.9 48 49 A A H X S+ 0 0 5 -4,-1.5 4,-1.4 1,-0.2 -1,-0.2 0.876 109.6 51.0 -66.1 -37.3 -39.1 57.7 27.2 49 50 A L H <>S+ 0 0 0 -4,-1.8 5,-2.0 2,-0.2 6,-0.8 0.870 111.3 47.3 -68.1 -36.8 -36.6 58.3 30.0 50 51 A A H ><5S+ 0 0 33 -4,-2.0 3,-1.7 1,-0.2 -2,-0.2 0.911 109.9 53.9 -68.7 -41.9 -38.4 61.4 31.1 51 52 A R H 3<5S+ 0 0 181 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.808 108.1 50.0 -61.0 -32.5 -41.7 59.6 30.9 52 53 A K T 3<5S- 0 0 54 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.371 116.6-118.1 -89.4 5.0 -40.3 56.9 33.2 53 54 A G T < 5S+ 0 0 24 -3,-1.7 -3,-0.2 2,-0.2 -2,-0.1 0.562 83.1 113.5 74.2 13.1 -39.2 59.6 35.6 54 55 A V S - 0 0 36 -2,-0.4 3,-1.1 4,-0.2 7,-0.1 -0.543 26.5 -96.2 -90.4 153.1 -10.8 51.9 33.6 83 84 A A T 3 S+ 0 0 68 1,-0.2 -1,-0.1 -2,-0.2 67,-0.1 -0.278 107.3 18.6 -62.4 150.7 -8.6 54.5 31.9 84 85 A D T 3 S+ 0 0 132 1,-0.2 -1,-0.2 0, 0.0 66,-0.0 0.721 104.5 105.3 59.4 24.8 -10.4 57.6 30.6 85 86 A E S < S- 0 0 34 -3,-1.1 -1,-0.2 65,-0.1 -69,-0.0 -0.986 74.7-110.3-132.7 143.7 -13.5 56.9 32.8 86 87 A P > - 0 0 10 0, 0.0 3,-1.9 0, 0.0 -4,-0.2 -0.316 34.5-109.2 -69.0 158.0 -14.7 58.6 36.0 87 88 A L T 3 S+ 0 0 7 1,-0.3 -5,-0.1 -68,-0.2 5,-0.1 0.915 118.5 45.7 -54.0 -45.0 -14.5 56.6 39.2 88 89 A L T 3 S+ 0 0 50 -69,-0.1 -1,-0.3 -72,-0.1 5,-0.1 0.097 78.8 146.1 -89.6 26.8 -18.3 56.3 39.5 89 90 A A X> - 0 0 0 -3,-1.9 3,-2.3 1,-0.1 4,-0.6 -0.356 59.9-118.7 -59.7 140.9 -18.8 55.3 35.8 90 91 A Q G >4 S+ 0 0 53 -78,-0.3 3,-0.9 1,-0.3 -1,-0.1 0.800 111.3 63.3 -54.1 -33.0 -21.7 52.8 35.6 91 92 A Q G 34 S+ 0 0 120 1,-0.2 -1,-0.3 -79,-0.1 -2,-0.1 0.641 100.4 54.9 -68.2 -13.6 -19.4 50.1 34.1 92 93 A H G <4 S+ 0 0 8 -3,-2.3 -13,-2.5 -13,-0.1 2,-0.6 0.632 84.1 98.3 -92.0 -17.7 -17.4 50.1 37.4 93 94 A I E << +B 78 0B 39 -3,-0.9 -15,-0.2 -4,-0.6 3,-0.1 -0.627 43.4 176.8 -80.1 115.9 -20.5 49.5 39.7 94 95 A E E - 0 0 111 -17,-2.4 2,-0.3 -2,-0.6 -1,-0.2 0.749 58.9 -48.2 -89.0 -25.6 -20.8 45.8 40.7 95 96 A G E -B 77 0B 25 -18,-0.7 -18,-2.7 2,-0.0 2,-0.4 -0.980 53.9 -88.9 175.5-175.4 -23.8 46.1 43.0 96 97 A H E -B 76 0B 107 -2,-0.3 2,-0.4 -20,-0.2 -22,-0.0 -0.987 30.5-153.2-127.1 125.5 -25.4 47.9 46.0 97 98 A Y E -B 75 0B 47 -22,-3.4 -22,-2.7 -2,-0.4 2,-1.7 -0.799 17.3-131.2-100.9 134.9 -24.9 47.0 49.6 98 99 A Q + 0 0 91 -2,-0.4 114,-1.7 -24,-0.2 2,-0.4 -0.614 56.0 137.9 -85.6 85.7 -27.5 47.6 52.4 99 100 A V B -S 211 0C 3 -2,-1.7 112,-0.2 112,-0.2 -25,-0.1 -0.999 61.3-108.6-131.6 131.8 -25.1 49.2 54.9 100 101 A D > - 0 0 48 110,-1.8 3,-1.7 -2,-0.4 4,-0.3 -0.434 23.0-155.8 -61.6 111.3 -25.9 52.3 57.1 101 102 A P G > S+ 0 0 37 0, 0.0 7,-1.6 0, 0.0 3,-1.2 0.794 88.7 65.0 -61.2 -27.1 -23.8 55.1 55.7 102 103 A S G 3 S+ 0 0 69 1,-0.2 -2,-0.1 5,-0.2 5,-0.1 0.455 77.0 83.0 -78.1 1.0 -23.9 57.0 59.0 103 104 A L G < S+ 0 0 27 -3,-1.7 2,-0.3 107,-0.1 -1,-0.2 0.767 91.2 62.0 -70.8 -23.0 -22.0 54.2 60.8 104 105 A F S < S- 0 0 1 -3,-1.2 4,-0.1 -4,-0.3 89,-0.1 -0.726 90.4-112.4-104.1 152.3 -18.9 56.0 59.4 105 106 A K S S+ 0 0 165 87,-0.5 2,-0.2 205,-0.4 -3,-0.1 -0.965 107.2 24.8-135.2 118.9 -17.7 59.6 60.1 106 107 A P S S- 0 0 48 0, 0.0 -3,-0.0 0, 0.0 27,-0.0 0.635 122.0 -96.2 -62.7 166.7 -17.8 61.5 57.9 107 108 A N - 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