==== 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 1JHH . 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 . 316 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17043.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 93 29.4 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 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 . 44 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 10.8 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+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 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 PARALLEL BRIDGES PER LADDER . 1 0 4 4 6 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 0 203 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -58.0 -36.9 49.9 37.3 2 3 A A + 0 0 70 2,-0.1 2,-0.4 0, 0.0 50,-0.0 0.214 360.0 136.9 174.1 36.3 -38.5 49.6 33.8 3 4 A L - 0 0 38 1,-0.0 2,-0.0 2,-0.0 46,-0.0 -0.775 48.6-125.8-101.1 141.8 -36.0 50.6 31.1 4 5 A T > - 0 0 71 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.314 37.3 -99.5 -73.5 167.3 -35.5 48.8 27.8 5 6 A A H > S+ 0 0 83 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.906 124.3 45.6 -56.5 -42.7 -32.0 47.6 27.0 6 7 A R H > S+ 0 0 100 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.890 110.1 51.7 -71.3 -37.8 -31.4 50.6 24.7 7 8 A Q H > S+ 0 0 20 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.872 107.8 55.2 -64.6 -35.3 -32.9 53.2 27.1 8 9 A Q H X S+ 0 0 73 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.898 106.3 50.6 -63.6 -41.3 -30.5 51.8 29.7 9 10 A E H X S+ 0 0 99 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.905 112.3 45.9 -65.0 -40.8 -27.6 52.4 27.4 10 11 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.946 114.7 48.8 -66.0 -44.2 -28.6 56.0 26.8 11 12 A F H X S+ 0 0 23 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.882 110.6 49.9 -62.6 -39.4 -29.2 56.4 30.6 12 13 A D H X S+ 0 0 41 -4,-2.9 4,-2.7 2,-0.2 78,-0.3 0.907 109.4 51.9 -67.0 -39.8 -25.8 54.9 31.5 13 14 A L H X S+ 0 0 14 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.915 108.4 51.8 -61.9 -43.1 -24.0 57.2 29.0 14 15 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.938 112.8 44.0 -59.8 -47.7 -25.7 60.2 30.5 15 16 A R H X S+ 0 0 56 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.925 113.8 49.8 -65.4 -42.4 -24.6 59.3 34.0 16 17 A D H X S+ 0 0 23 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.895 111.6 49.8 -61.0 -41.6 -21.0 58.4 33.0 17 18 A H H X>S+ 0 0 34 -4,-2.4 4,-2.6 -5,-0.2 6,-0.6 0.884 112.8 45.7 -65.2 -40.4 -20.8 61.7 31.1 18 19 A I H X5S+ 0 0 42 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.927 111.2 53.2 -69.0 -43.7 -22.0 63.7 34.1 19 20 A S H <5S+ 0 0 56 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.778 118.5 36.4 -61.5 -27.7 -19.7 61.8 36.4 20 21 A Q H <5S+ 0 0 110 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.797 134.9 17.9 -96.6 -33.9 -16.7 62.6 34.2 21 22 A T H <5S- 0 0 63 -4,-2.6 -3,-0.2 2,-0.3 -2,-0.2 0.626 93.0-121.7-113.0 -20.6 -17.4 66.1 33.0 22 23 A G S < - 0 0 25 -2,-0.2 4,-2.0 1,-0.1 5,-0.1 -0.414 30.6-105.4 -84.6 169.0 -25.8 66.8 23.9 27 28 A R H > S+ 0 0 52 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.872 122.7 53.6 -61.6 -37.6 -28.2 64.9 21.7 28 29 A A H > S+ 0 0 56 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.896 106.3 51.0 -64.0 -42.3 -25.5 64.7 19.0 29 30 A E H > S+ 0 0 65 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.914 110.9 49.3 -62.9 -40.2 -22.9 63.2 21.4 30 31 A I H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 6,-0.3 0.957 112.0 47.6 -63.0 -49.2 -25.5 60.5 22.3 31 32 A A H <>S+ 0 0 7 -4,-2.5 5,-2.5 1,-0.2 4,-0.5 0.890 113.8 48.5 -58.7 -42.2 -26.3 59.7 18.7 32 33 A Q H ><5S+ 0 0 153 -4,-2.5 3,-0.8 3,-0.2 -2,-0.2 0.951 113.5 43.3 -64.5 -53.7 -22.6 59.5 17.8 33 34 A R H 3<5S+ 0 0 151 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.847 120.8 40.9 -65.6 -33.6 -21.4 57.3 20.7 34 35 A L T 3<5S- 0 0 54 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.417 109.8-119.1 -96.5 4.0 -24.3 54.9 20.4 35 36 A G T < 5 + 0 0 58 -3,-0.8 -3,-0.2 -4,-0.5 -4,-0.1 0.839 50.7 168.7 66.0 32.5 -24.4 54.9 16.6 36 37 A F < - 0 0 17 -5,-2.5 -1,-0.2 -6,-0.3 4,-0.0 -0.438 46.1-116.2 -76.5 154.6 -27.9 56.3 16.2 37 38 A R S S- 0 0 189 1,-0.1 -1,-0.1 -2,-0.1 3,-0.1 0.812 84.6 -26.7 -59.2 -32.4 -29.1 57.4 12.8 38 39 A S S >> S- 0 0 42 1,-0.1 4,-1.2 -11,-0.1 3,-0.9 -0.984 70.0 -83.7-171.2 173.6 -29.4 61.0 14.0 39 40 A P H 3> S+ 0 0 70 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.853 121.4 64.8 -59.8 -34.3 -30.0 63.4 16.8 40 41 A N H 3> S+ 0 0 122 1,-0.2 4,-1.6 2,-0.2 -12,-0.0 0.849 98.4 53.7 -55.8 -38.4 -33.8 62.8 16.4 41 42 A A H <> S+ 0 0 14 -3,-0.9 4,-1.2 1,-0.2 -1,-0.2 0.899 108.3 48.7 -65.2 -40.3 -33.3 59.2 17.4 42 43 A A H X S+ 0 0 0 -4,-1.2 4,-2.1 1,-0.2 -2,-0.2 0.884 106.1 57.8 -66.4 -38.7 -31.5 60.2 20.6 43 44 A E H X S+ 0 0 45 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.904 102.1 55.0 -58.0 -43.9 -34.3 62.7 21.4 44 45 A E H X S+ 0 0 132 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.892 108.7 47.2 -58.4 -41.6 -36.9 59.9 21.3 45 46 A H H X S+ 0 0 37 -4,-1.2 4,-1.8 1,-0.2 -1,-0.2 0.867 110.7 52.2 -68.9 -35.9 -35.0 57.9 23.9 46 47 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.881 106.7 53.9 -66.9 -37.8 -34.6 60.9 26.1 47 48 A K H X S+ 0 0 103 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.889 109.2 48.1 -62.0 -40.4 -38.3 61.6 26.0 48 49 A A H X S+ 0 0 5 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.851 111.1 50.4 -69.7 -34.8 -39.0 58.0 27.1 49 50 A L H <>S+ 0 0 0 -4,-1.8 5,-1.9 2,-0.2 6,-0.7 0.886 110.4 49.4 -69.1 -39.7 -36.4 58.4 30.0 50 51 A A H ><5S+ 0 0 32 -4,-2.5 3,-0.9 1,-0.2 -2,-0.2 0.895 110.3 52.3 -64.4 -37.8 -38.1 61.6 31.0 51 52 A R H 3<5S+ 0 0 180 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.873 107.5 50.1 -65.4 -38.8 -41.4 59.8 30.9 52 53 A K T 3<5S- 0 0 79 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.479 116.2-120.8 -78.5 -4.3 -40.0 57.0 33.1 53 54 A G T < 5S+ 0 0 24 -3,-0.9 -3,-0.2 -4,-0.3 -2,-0.1 0.624 80.3 117.3 77.4 15.7 -38.9 59.8 35.5 54 55 A V S S- 0 0 82 2,-0.1 3,-0.7 3,-0.0 -3,-0.1 0.601 87.4 -89.0 72.5 127.5 -30.6 75.5 26.2 62 63 A S T 3 S+ 0 0 100 1,-0.2 3,-0.1 2,-0.1 -36,-0.1 -0.334 111.0 19.6 -66.8 149.1 -28.0 73.0 25.2 63 64 A R T 3 S+ 0 0 76 1,-0.2 2,-1.5 -40,-0.1 -1,-0.2 0.895 78.8 167.0 57.6 42.5 -27.3 70.1 27.5 64 65 A G < + 0 0 8 -3,-0.7 -6,-2.2 -6,-0.1 2,-0.4 -0.470 25.9 121.0 -89.2 65.7 -30.7 70.7 29.1 65 66 A I E -A 57 0A 9 -2,-1.5 2,-0.4 -8,-0.2 -8,-0.2 -0.990 36.9-173.9-131.9 136.7 -30.9 67.4 31.1 66 67 A R E -A 56 0A 140 -10,-2.4 -10,-2.9 -2,-0.4 2,-0.3 -0.987 20.8-130.1-130.7 140.4 -31.2 66.8 34.8 67 68 A L E -A 55 0A 39 -2,-0.4 -12,-0.3 -12,-0.2 2,-0.2 -0.680 25.5-167.4 -87.8 142.5 -31.1 63.5 36.7 68 69 A L + 0 0 72 -14,-2.2 -12,-0.0 -2,-0.3 -1,-0.0 -0.734 61.8 36.3-121.6 172.0 -33.8 62.8 39.2 69 70 A Q + 0 0 119 -2,-0.2 -1,-0.2 1,-0.1 -14,-0.0 0.855 66.0 150.6 53.4 38.7 -34.2 60.3 42.0 70 71 A E + 0 0 146 -3,-0.2 2,-0.3 2,-0.1 -1,-0.1 0.916 40.1 95.3 -66.1 -43.7 -30.5 60.5 42.8 71 72 A E + 0 0 199 1,-0.0 2,-0.3 2,-0.0 -3,-0.0 -0.313 60.7 176.4 -53.5 108.6 -31.1 59.6 46.5 72 73 A E - 0 0 119 -2,-0.3 2,-0.2 2,-0.1 -2,-0.1 -0.923 28.7-115.0-124.7 147.8 -30.5 55.9 46.6 73 74 A E S S+ 0 0 140 -2,-0.3 2,-0.2 2,-0.1 27,-0.1 -0.515 75.2 0.1 -80.6 141.0 -30.3 53.2 49.4 74 75 A G S S- 0 0 9 -2,-0.2 24,-0.2 25,-0.2 -2,-0.1 -0.487 91.1 -68.5 86.5-155.9 -27.2 51.3 50.2 75 76 A L E -B 97 0B 3 22,-1.7 22,-2.7 -2,-0.2 2,-0.2 -0.996 34.4-126.0-143.2 133.8 -23.8 51.7 48.6 76 77 A P E -B 96 0B 23 0, 0.0 35,-2.8 0, 0.0 2,-0.6 -0.544 23.8-136.4 -77.9 145.9 -22.5 50.8 45.1 77 78 A L E - c 0 111B 1 18,-3.0 17,-2.8 -2,-0.2 2,-0.6 -0.916 12.7-150.7-104.6 119.2 -19.4 48.6 45.1 78 79 A V E +Bc 93 112B 0 33,-3.7 35,-2.4 -2,-0.6 15,-0.2 -0.805 18.1 178.3 -91.6 124.4 -16.8 49.7 42.6 79 80 A G - 0 0 5 13,-2.4 34,-0.1 -2,-0.6 -1,-0.1 0.301 54.4 -8.1 -94.1-134.6 -14.7 46.9 41.2 80 81 A R - 0 0 210 32,-0.1 -1,-0.4 1,-0.1 2,-0.3 -0.257 68.5-139.8 -62.7 151.7 -11.9 47.3 38.6 81 82 A V - 0 0 32 -3,-0.1 2,-0.3 71,-0.1 71,-0.1 -0.874 10.0-139.2-113.9 146.6 -11.6 50.7 36.9 82 83 A A > - 0 0 33 -2,-0.3 3,-1.3 4,-0.3 2,-0.1 -0.741 26.8 -97.8-105.5 156.2 -10.9 51.4 33.2 83 84 A A T 3 S+ 0 0 69 -2,-0.3 -1,-0.1 1,-0.2 67,-0.1 -0.418 107.1 15.9 -70.4 142.8 -8.6 54.0 31.7 84 85 A G T 3 S+ 0 0 48 1,-0.2 -1,-0.2 -2,-0.1 66,-0.0 0.604 105.9 109.0 71.2 12.0 -10.3 57.1 30.4 85 86 A E S < S- 0 0 40 -3,-1.3 -1,-0.2 65,-0.1 4,-0.1 -0.957 75.8-106.2-124.0 138.3 -13.4 56.3 32.5 86 87 A P > - 0 0 13 0, 0.0 3,-1.5 0, 0.0 -4,-0.3 -0.169 33.1-114.6 -56.3 154.0 -14.8 58.0 35.6 87 88 A L T 3 S+ 0 0 7 1,-0.3 -5,-0.1 -68,-0.2 -67,-0.1 0.931 116.2 48.0 -56.8 -45.4 -14.3 56.0 38.8 88 89 A L T 3 S+ 0 0 41 -69,-0.1 -1,-0.3 -72,-0.1 -69,-0.1 -0.001 77.7 149.2 -89.8 32.3 -18.1 55.7 39.1 89 90 A A X> - 0 0 0 -3,-1.5 3,-2.0 1,-0.1 4,-0.9 -0.385 57.5-120.7 -61.9 139.2 -18.8 54.5 35.5 90 91 A Q G >4 S+ 0 0 49 -78,-0.3 3,-0.7 1,-0.3 -1,-0.1 0.838 113.1 61.0 -52.2 -35.8 -21.8 52.2 35.4 91 92 A Q G 34 S+ 0 0 120 1,-0.2 -1,-0.3 -79,-0.1 -2,-0.1 0.767 101.9 54.2 -64.0 -24.5 -19.6 49.5 33.9 92 93 A H G <4 S+ 0 0 9 -3,-2.0 -13,-2.4 -6,-0.1 2,-0.4 0.743 84.8 97.6 -81.2 -24.9 -17.5 49.6 37.1 93 94 A I E << -B 78 0B 35 -4,-0.9 -15,-0.2 -3,-0.7 3,-0.1 -0.528 45.5-179.9 -71.2 119.8 -20.4 49.0 39.5 94 95 A E E - 0 0 106 -17,-2.8 2,-0.2 -2,-0.4 -1,-0.1 0.199 61.4 -48.9-104.3 14.9 -20.7 45.4 40.5 95 96 A G E - 0 0 24 -18,-0.4 -18,-3.0 2,-0.0 2,-0.4 -0.761 50.8 -96.3 142.3 171.3 -23.7 45.9 42.8 96 97 A H E -B 76 0B 86 -20,-0.3 2,-0.4 -2,-0.2 -22,-0.1 -0.995 33.2-156.0-125.4 130.4 -25.3 47.9 45.6 97 98 A Y E -B 75 0B 67 -22,-2.7 -22,-1.7 -2,-0.4 2,-1.7 -0.888 22.1-120.1-112.7 141.6 -25.1 46.6 49.2 98 99 A Q + 0 0 98 -2,-0.4 122,-2.2 -24,-0.2 2,-0.4 -0.585 58.9 139.3 -79.5 87.7 -27.5 47.4 52.1 99 100 A V B -T 219 0C 2 -2,-1.7 120,-0.2 120,-0.2 -25,-0.2 -1.000 60.6-109.9-132.9 130.8 -25.1 49.1 54.5 100 101 A D > - 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