==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GENE REGULATORY PROTEIN 16-SEP-94 1NTR . COMPND 2 MOLECULE: NTRC RECEIVER DOMAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR B.F.VOLKMAN,M.J.NOHAILE,N.K.AMY,S.KUSTU,D.E.WEMMER . 124 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7927.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 78 62.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 13.7 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 . 7 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 1 0 0 1 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 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 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 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 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 0 218 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -46.6 -7.9 -19.6 -14.4 2 2 A Q + 0 0 123 1,-0.1 0, 0.0 114,-0.1 0, 0.0 -0.189 360.0 99.3 63.9-163.8 -8.2 -15.8 -15.2 3 3 A R - 0 0 172 23,-0.1 2,-0.3 1,-0.0 25,-0.1 0.270 49.9-165.1 65.4 156.2 -9.1 -13.5 -12.3 4 4 A G - 0 0 3 23,-0.2 25,-1.8 2,-0.0 2,-0.4 -0.966 21.7-121.6-162.8 176.9 -6.3 -11.5 -10.6 5 5 A I B -a 29 0A 48 -2,-0.3 45,-1.9 23,-0.2 44,-1.3 -0.839 24.3-178.6-135.9 99.3 -5.5 -9.4 -7.4 6 6 A V E -b 50 0B 3 23,-0.6 2,-1.1 -2,-0.4 25,-0.5 -0.842 6.2-169.3-101.2 111.1 -4.3 -5.8 -8.0 7 7 A W E +b 51 0B 52 43,-1.9 45,-1.4 -2,-0.7 25,-0.2 -0.758 19.5 173.8-100.2 92.8 -3.5 -4.0 -4.7 8 8 A V E -bc 52 32B 7 23,-1.8 25,-1.9 -2,-1.1 2,-0.5 -0.571 26.1-134.1 -96.0 162.9 -3.1 -0.4 -5.8 9 9 A V E +bc 53 33B 1 43,-1.6 45,-1.8 23,-0.2 25,-0.2 -0.962 25.9 172.6-119.2 126.4 -2.5 2.7 -3.6 10 10 A D - 0 0 0 23,-2.1 26,-0.2 -2,-0.5 24,-0.1 0.413 39.4 -99.5-102.1-120.4 -4.6 5.9 -4.2 11 11 A D S S- 0 0 20 1,-0.5 2,-0.3 22,-0.1 -1,-0.1 0.525 81.3 -1.4-135.4 -61.3 -4.6 9.0 -2.0 12 12 A D S >> S- 0 0 68 1,-0.2 3,-1.3 21,-0.1 4,-0.6 -0.801 86.7 -68.9-131.4 175.3 -7.6 9.3 0.4 13 13 A S T 34 S+ 0 0 64 -2,-0.3 -1,-0.2 1,-0.2 20,-0.0 -0.157 115.5 40.6 -59.8 160.3 -10.7 7.3 1.2 14 14 A S T 3> S+ 0 0 81 1,-0.1 4,-0.9 4,-0.0 -1,-0.2 0.377 102.2 79.1 79.9 -7.6 -13.5 7.2 -1.4 15 15 A I H <> S+ 0 0 42 -3,-1.3 4,-1.8 2,-0.2 5,-0.2 0.850 88.8 47.9 -96.9 -45.2 -10.7 6.8 -4.0 16 16 A R H X S+ 0 0 112 -4,-0.6 4,-1.8 1,-0.2 5,-0.2 0.867 113.3 52.9 -63.6 -31.0 -10.1 3.1 -3.6 17 17 A W H > S+ 0 0 125 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.993 101.7 56.2 -67.3 -60.3 -13.8 2.6 -3.8 18 18 A V H X S+ 0 0 93 -4,-0.9 4,-1.7 2,-0.2 3,-0.3 0.901 113.4 42.3 -36.6 -57.5 -14.3 4.5 -7.1 19 19 A L H >X S+ 0 0 35 -4,-1.8 4,-2.0 1,-0.2 3,-0.9 0.990 110.0 53.2 -55.7 -72.1 -11.8 2.2 -8.8 20 20 A E H 3X S+ 0 0 97 -4,-1.8 4,-0.8 1,-0.3 -1,-0.2 0.784 105.9 60.5 -35.1 -30.6 -13.0 -1.1 -7.2 21 21 A R H >X S+ 0 0 162 -4,-2.4 3,-1.4 -3,-0.3 4,-1.0 0.987 108.5 38.2 -66.4 -55.2 -16.4 0.0 -8.6 22 22 A A H S+ 0 0 2 -4,-2.0 5,-1.7 -5,-0.2 4,-1.7 0.587 93.8 67.3 -92.9 -11.1 -13.3 -3.1 -11.2 24 24 A A H <<5S+ 0 0 61 -3,-1.4 -2,-0.2 -4,-0.8 -3,-0.1 0.942 93.4 56.1 -74.7 -46.1 -16.4 -4.9 -10.0 25 25 A G H <5S+ 0 0 80 -4,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.927 111.6 45.3 -51.8 -42.0 -18.0 -5.2 -13.5 26 26 A A H <5S- 0 0 46 -4,-0.5 -1,-0.3 2,-0.0 -2,-0.2 0.910 110.3-132.0 -69.1 -38.5 -14.7 -6.9 -14.6 27 27 A G T <5 + 0 0 43 -4,-1.7 2,-0.2 1,-0.2 -23,-0.2 0.912 53.1 138.9 89.0 50.2 -14.9 -9.0 -11.4 28 28 A L < - 0 0 31 -5,-1.7 2,-1.0 -8,-0.2 -1,-0.2 -0.724 63.0-109.9-120.2 173.7 -11.3 -8.7 -10.1 29 29 A T B +a 5 0A 70 -25,-1.8 2,-1.9 -2,-0.2 -23,-0.6 -0.518 45.3 166.3-100.3 65.8 -9.7 -8.2 -6.7 30 30 A C - 0 0 4 -2,-1.0 2,-0.4 -25,-0.2 -23,-0.2 -0.531 14.9-172.9 -82.2 80.1 -8.5 -4.6 -7.2 31 31 A T - 0 0 36 -2,-1.9 -23,-1.8 -25,-0.5 2,-0.4 -0.577 3.0-172.3 -75.1 129.3 -7.8 -3.9 -3.5 32 32 A T E -c 8 0B 9 -2,-0.4 -23,-0.2 -25,-0.2 2,-0.2 -0.975 5.7-168.3-127.0 136.8 -6.9 -0.2 -3.1 33 33 A F E -c 9 0B 56 -25,-1.9 -23,-2.1 -2,-0.4 -22,-0.1 -0.485 26.9-121.4-110.7-176.1 -5.6 1.6 0.0 34 34 A E S S+ 0 0 94 1,-0.3 2,-0.4 -25,-0.2 -1,-0.1 0.874 91.8 29.4 -95.4 -47.6 -5.2 5.3 0.9 35 35 A N S > S- 0 0 67 1,-0.1 4,-2.0 -26,-0.1 -1,-0.3 -0.901 75.6-125.5-116.1 144.7 -1.5 5.6 1.6 36 36 A G H > S+ 0 0 0 -2,-0.4 4,-1.8 -26,-0.2 5,-0.2 0.869 110.6 56.6 -54.1 -33.1 1.3 3.6 0.1 37 37 A N H >> S+ 0 0 68 2,-0.2 4,-1.8 1,-0.2 3,-1.1 0.979 105.9 42.9 -61.8 -80.4 2.4 2.8 3.7 38 38 A E H 3> S+ 0 0 112 1,-0.3 4,-1.5 2,-0.2 5,-0.2 0.814 109.0 66.7 -34.6 -35.3 -0.8 1.2 5.1 39 39 A V H >X S+ 0 0 1 -4,-2.0 4,-1.9 1,-0.3 3,-1.3 0.981 105.2 37.2 -55.3 -59.1 -0.9 -0.6 1.7 40 40 A L H - 0 0 3 1,-0.1 3,-0.6 2,-0.1 26,-0.1 0.934 51.2-164.2 61.6 92.7 3.3 9.3 -2.5 64 64 A A T 3 S+ 0 0 87 1,-0.2 4,-0.2 2,-0.1 -1,-0.1 0.269 76.8 81.7 -91.4 14.2 6.7 9.0 -0.8 65 65 A L T 3> + 0 0 36 1,-0.1 4,-2.3 2,-0.1 -1,-0.2 0.244 61.9 97.6-100.9 14.3 5.8 5.4 0.2 66 66 A L H <> S+ 0 0 2 -3,-0.6 4,-1.3 2,-0.2 5,-0.2 1.000 82.7 46.6 -65.4 -65.0 6.8 3.9 -3.2 67 67 A K H > S+ 0 0 137 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.833 111.5 59.3 -47.0 -26.4 10.3 2.8 -2.3 68 68 A Q H > S+ 0 0 29 2,-0.2 4,-1.6 -4,-0.2 -1,-0.2 0.994 94.9 59.1 -66.0 -60.5 8.5 1.4 0.8 69 69 A I H >X S+ 0 0 2 -4,-2.3 4,-0.8 1,-0.2 3,-0.6 0.873 112.3 40.4 -33.5 -58.0 6.1 -0.9 -1.2 70 70 A K H 3< S+ 0 0 33 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.990 103.9 65.2 -59.8 -61.1 9.1 -2.7 -2.7 71 71 A Q H 3< S+ 0 0 154 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.779 110.9 41.7 -33.0 -34.4 11.2 -2.8 0.5 72 72 A R H << S+ 0 0 128 -4,-1.6 -2,-0.2 -3,-0.6 -3,-0.1 0.876 117.0 29.6 -83.4 -91.2 8.4 -5.1 1.9 73 73 A H S < S- 0 0 1 -4,-0.8 -27,-0.1 1,-0.1 -1,-0.1 -0.351 100.7 -90.3 -68.5 151.9 7.1 -7.7 -0.6 74 74 A P - 0 0 61 0, 0.0 2,-1.6 0, 0.0 -27,-0.2 0.189 56.2 -79.6 -49.6-178.1 9.7 -8.9 -3.2 75 75 A M S S+ 0 0 96 -3,-0.1 3,-0.1 -4,-0.1 -5,-0.1 -0.279 70.8 163.2 -85.2 56.0 9.9 -7.0 -6.5 76 76 A L - 0 0 29 -2,-1.6 -25,-0.2 1,-0.2 22,-0.2 -0.313 55.9 -62.7 -70.4 158.7 6.8 -8.7 -8.0 77 77 A P + 0 0 20 0, 0.0 -26,-1.4 0, 0.0 2,-0.3 -0.065 70.0 163.1 -44.6 137.0 5.3 -7.0 -11.0 78 78 A V E -d 51 0B 4 20,-1.6 22,-0.4 -28,-0.2 2,-0.3 -0.864 25.0-146.9-145.2 178.0 4.0 -3.5 -10.2 79 79 A I E -d 52 0B 19 -28,-1.4 -26,-1.7 -2,-0.3 2,-0.5 -0.849 4.5-166.1-158.7 119.7 2.9 -0.4 -12.1 80 80 A I E -de 53 101B 6 20,-1.2 22,-2.1 -2,-0.3 -26,-0.2 -0.904 27.9-121.7-108.6 128.5 3.2 3.3 -11.2 81 81 A M E - e 0 102B 17 -28,-2.3 -1,-0.1 -2,-0.5 23,-0.0 0.013 38.9 -91.2 -56.5 174.3 1.3 5.9 -13.3 82 82 A T + 0 0 52 20,-1.5 4,-0.2 19,-0.1 5,-0.0 0.982 61.1 170.2 -53.9 -76.4 3.2 8.7 -15.1 83 83 A A - 0 0 30 1,-0.1 -27,-0.1 3,-0.1 -28,-0.1 0.053 38.3-126.2 80.8 162.5 3.2 11.4 -12.4 84 84 A H S S+ 0 0 184 -29,-0.3 -1,-0.1 2,-0.0 -22,-0.1 0.583 103.6 30.4-119.7 -21.6 5.2 14.6 -12.4 85 85 A S S S+ 0 0 82 -30,-0.2 3,-0.3 -24,-0.1 4,-0.3 0.157 100.5 80.3-123.6 18.2 7.0 14.5 -9.1 86 86 A D >> + 0 0 7 -4,-0.2 4,-2.1 1,-0.2 3,-0.6 0.657 56.3 102.9 -96.7 -18.4 7.3 10.7 -8.7 87 87 A L H 3> S+ 0 0 121 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.770 80.4 58.3 -35.2 -29.4 10.3 10.4 -10.9 88 88 A D H 34 S+ 0 0 141 -3,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.986 108.5 39.0 -70.3 -57.8 12.3 10.1 -7.7 89 89 A A H <4 S+ 0 0 15 -3,-0.6 3,-0.2 -4,-0.3 -2,-0.2 0.718 117.5 55.0 -65.7 -16.1 10.5 7.0 -6.3 90 90 A A H >< S+ 0 0 2 -4,-2.1 3,-1.1 1,-0.2 4,-0.3 0.896 83.6 79.4 -83.1 -42.4 10.5 5.6 -9.8 91 91 A V T 3X S+ 0 0 91 -4,-2.1 4,-0.6 1,-0.3 3,-0.3 0.778 82.3 71.8 -35.8 -29.1 14.2 5.9 -10.4 92 92 A S T 34 S+ 0 0 42 -4,-0.5 -1,-0.3 -3,-0.2 -2,-0.1 0.067 82.7 75.3 -80.6 31.7 14.3 2.7 -8.4 93 93 A A T <> S+ 0 0 9 -3,-1.1 4,-0.7 -2,-0.2 -1,-0.2 0.810 89.7 46.8-106.4 -53.6 12.8 0.8 -11.4 94 94 A Y T 4 S+ 0 0 207 -3,-0.3 2,-1.4 -4,-0.3 3,-0.2 0.817 101.6 78.4 -59.2 -25.2 15.7 0.4 -13.9 95 95 A Q T < S- 0 0 139 -4,-0.6 -1,-0.2 1,-0.2 0, 0.0 -0.656 133.4 -48.5 -86.8 91.8 17.7 -0.7 -10.8 96 96 A Q T 4 S+ 0 0 151 -2,-1.4 -1,-0.2 1,-0.1 2,-0.2 0.959 101.1 144.9 45.7 65.0 16.6 -4.3 -10.4 97 97 A G < - 0 0 33 -4,-0.7 -4,-0.1 -3,-0.2 -1,-0.1 -0.656 48.0-149.0-122.3-179.3 12.9 -3.4 -10.6 98 98 A A S S+ 0 0 27 -2,-0.2 -20,-1.6 -22,-0.2 2,-0.3 -0.052 70.3 65.3-144.4 38.1 9.7 -5.1 -12.1 99 99 A F - 0 0 22 -22,-0.2 -20,-0.2 -6,-0.1 -1,-0.1 -0.921 55.1-160.3-162.2 133.4 7.4 -2.3 -13.3 100 100 A D - 0 0 101 -22,-0.4 -20,-1.2 -2,-0.3 2,-0.4 -0.099 42.3 -71.1 -98.0-159.3 7.6 0.5 -15.9 101 101 A Y E -e 80 0B 70 -22,-0.1 -20,-0.2 -2,-0.1 -19,-0.1 -0.806 38.0-143.9-100.7 139.0 5.7 3.7 -16.2 102 102 A L E -e 81 0B 23 -22,-2.1 -20,-1.5 -2,-0.4 4,-0.1 -0.884 20.6-173.0-104.2 120.0 1.9 3.7 -17.1 103 103 A P - 0 0 78 0, 0.0 -1,-0.0 0, 0.0 -22,-0.0 -0.138 28.5 -39.1 -95.3-165.2 0.8 6.6 -19.3 104 104 A K S S+ 0 0 162 1,-0.1 2,-0.1 -2,-0.1 0, 0.0 -0.868 95.7 26.8-121.9 157.7 -2.7 7.6 -20.4 105 105 A P + 0 0 131 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.594 65.3 154.3 -97.3 169.9 -5.2 6.8 -21.3 106 106 A F - 0 0 79 -2,-0.1 2,-0.0 -4,-0.1 3,-0.0 -0.990 34.0-129.9-149.2 138.1 -5.9 3.3 -19.9 107 107 A D > - 0 0 111 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.294 29.3-112.2 -79.4 171.5 -9.2 1.4 -19.1 108 108 A I H > S+ 0 0 38 2,-0.2 4,-2.3 3,-0.2 5,-0.2 0.986 118.5 30.3 -70.8 -56.1 -9.7 -0.3 -15.7 109 109 A D H >>S+ 0 0 66 1,-0.2 4,-0.9 2,-0.2 5,-0.9 0.931 114.8 63.0 -68.7 -39.7 -9.7 -3.8 -17.0 110 110 A E H >5S+ 0 0 114 3,-0.2 4,-1.2 2,-0.1 -1,-0.2 0.947 115.5 33.0 -48.4 -46.8 -7.3 -2.8 -19.8 111 111 A A H X5S+ 0 0 15 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.987 124.5 41.1 -72.3 -74.1 -4.9 -2.0 -17.0 112 112 A V H >X5S+ 0 0 10 -4,-2.3 4,-2.3 -5,-0.2 3,-0.6 0.912 120.0 44.4 -36.7 -73.7 -5.7 -4.6 -14.4 113 113 A A H 3X5S+ 0 0 24 -4,-0.9 4,-1.7 1,-0.2 5,-0.2 0.910 108.1 58.2 -38.1 -64.4 -6.1 -7.4 -17.0 114 114 A L H >XX S+ 0 0 21 -4,-1.9 3,-1.7 1,-0.3 4,-0.7 0.961 101.9 60.8 -47.2 -60.8 2.4 -10.0 -17.2 119 119 A I H 3< S+ 0 0 32 -4,-2.0 2,-0.3 1,-0.3 -1,-0.3 0.851 117.4 33.3 -36.1 -41.9 2.4 -11.4 -13.6 120 120 A S T << S+ 0 0 94 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.1 -0.456 109.2 70.7-115.2 61.1 2.2 -14.9 -15.4 121 121 A H T <4 S+ 0 0 149 -3,-1.7 2,-1.0 -2,-0.3 3,-0.2 0.494 92.8 37.1-135.4 -65.2 4.3 -14.2 -18.5 122 122 A Y < + 0 0 136 -4,-0.7 -1,-0.2 1,-0.2 -4,-0.0 -0.762 63.0 136.6 -99.1 95.4 8.0 -13.8 -18.0 123 123 A Q 0 0 155 -2,-1.0 -1,-0.2 1,-0.1 -4,-0.0 0.383 360.0 360.0-117.1 0.8 9.0 -16.2 -15.2 124 124 A E 0 0 248 -3,-0.2 -1,-0.1 0, 0.0 -2,-0.1 0.724 360.0 360.0 -57.2 360.0 12.2 -17.5 -16.7