==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 10-JAN-02 1KRX . COMPND 2 MOLECULE: NITROGEN REGULATION PROTEIN NR(I); . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR C.A.HASTINGS,S.-Y.LEE,H.S.CHO,D.YAN,S.KUSTU,D.E.WEMMER . 124 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6752.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 91 73.4 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 . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 . 11 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 36.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 4.8 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 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 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 . 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 0 231 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 162.7 15.8 -15.3 -2.6 2 2 A Q - 0 0 89 122,-0.0 122,-0.0 2,-0.0 0, 0.0 0.421 360.0-108.2 63.1 151.6 12.2 -14.5 -3.5 3 3 A R - 0 0 206 2,-0.0 -1,-0.0 25,-0.0 0, 0.0 0.986 37.6-153.3 -74.1 -75.0 11.2 -11.8 -6.0 4 4 A G - 0 0 8 24,-0.1 25,-2.5 1,-0.1 2,-0.6 0.806 10.8-168.8 95.2 91.9 9.8 -9.0 -3.9 5 5 A I E -a 29 0A 12 23,-0.2 44,-2.1 42,-0.1 45,-1.5 -0.933 2.4-173.7-116.7 112.5 7.2 -6.7 -5.5 6 6 A V E -ab 30 50A 0 23,-1.8 25,-1.5 -2,-0.6 2,-0.4 -0.907 6.0-167.8-107.3 117.3 6.2 -3.5 -3.7 7 7 A W E -ab 31 51A 22 43,-0.8 45,-2.8 -2,-0.6 2,-0.4 -0.860 2.3-164.4-108.0 138.0 3.4 -1.5 -5.2 8 8 A V E -ab 32 52A 1 23,-3.2 25,-1.9 -2,-0.4 2,-0.5 -0.956 9.6-165.0-124.2 141.9 2.6 2.1 -4.2 9 9 A V E +a 33 0A 0 43,-2.4 2,-0.2 -2,-0.4 25,-0.2 -0.964 46.1 84.9-128.0 114.1 -0.5 4.3 -4.7 10 10 A D S S- 0 0 7 23,-1.6 3,-0.1 -2,-0.5 26,-0.1 -0.835 94.7 -30.7-171.6-152.0 -0.2 8.1 -4.1 11 11 A D S S- 0 0 115 -2,-0.2 3,-0.3 1,-0.2 23,-0.1 0.519 77.8-158.6 -66.3 -2.4 0.8 11.3 -5.8 12 12 A D > + 0 0 29 21,-0.2 3,-2.2 1,-0.2 4,-0.3 -0.231 63.8 63.4 59.0-148.0 3.3 9.3 -7.8 13 13 A S T 3> S+ 0 0 84 1,-0.3 4,-3.8 2,-0.2 5,-0.3 -0.015 115.4 31.6 34.6 -89.4 6.3 11.2 -9.2 14 14 A S H 3> S+ 0 0 77 -3,-0.3 4,-1.7 1,-0.2 -1,-0.3 0.957 129.4 39.4 -55.7 -55.2 7.9 12.4 -5.9 15 15 A I H <> S+ 0 0 35 -3,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.844 119.3 50.1 -63.6 -34.7 6.7 9.3 -4.0 16 16 A R H > S+ 0 0 112 -4,-0.3 4,-3.4 2,-0.2 5,-0.3 0.951 106.5 51.5 -69.4 -53.8 7.5 7.1 -7.1 17 17 A W H X>S+ 0 0 170 -4,-3.8 4,-1.4 2,-0.2 5,-0.5 0.889 116.2 41.5 -52.5 -45.1 11.1 8.4 -7.7 18 18 A V H X>S+ 0 0 50 -4,-1.7 4,-1.6 -5,-0.3 5,-0.6 0.976 122.4 37.1 -67.9 -58.0 12.1 7.8 -4.2 19 19 A L H X5S+ 0 0 2 -4,-1.9 4,-0.6 -5,-0.2 -2,-0.2 0.760 114.4 59.0 -67.0 -27.7 10.4 4.5 -3.6 20 20 A E H X5S+ 0 0 51 -4,-3.4 4,-0.7 -5,-0.2 10,-0.5 0.981 119.4 21.3 -67.6 -59.9 11.1 3.3 -7.1 21 21 A R H X5S+ 0 0 182 -4,-1.4 4,-1.8 -5,-0.3 5,-0.2 0.948 127.2 48.1 -75.7 -52.4 14.9 3.4 -7.2 22 22 A A H >X<5S+ 0 0 49 -4,-0.7 3,-1.2 1,-0.2 -1,-0.3 0.858 97.7 57.1 -68.3 -33.3 14.8 -1.1 -6.0 25 25 A G H <<5S+ 0 0 73 -4,-1.8 -1,-0.2 -3,-0.6 -2,-0.2 0.752 98.5 61.5 -68.0 -22.8 18.2 -1.1 -4.4 26 26 A A T 3<5S- 0 0 49 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.658 126.8 -99.2 -77.0 -15.6 16.7 -3.2 -1.5 27 27 A G T < 5S+ 0 0 52 -3,-1.2 2,-0.3 -4,-0.4 -3,-0.2 0.661 86.1 106.6 105.7 22.0 16.0 -5.9 -4.1 28 28 A L S > S+ 0 0 1 17,-0.1 4,-1.4 -26,-0.1 3,-0.5 0.040 117.5 69.4 178.4 -55.8 -5.7 3.5 -5.6 37 37 A N H 3> S+ 0 0 83 1,-0.2 4,-1.3 2,-0.2 -28,-0.0 0.798 97.7 63.3 -57.0 -26.9 -8.3 2.4 -8.2 38 38 A E H 3> S+ 0 0 102 1,-0.2 4,-1.5 2,-0.2 3,-0.4 0.943 99.2 50.2 -63.9 -48.5 -5.4 2.2 -10.6 39 39 A V H <> S+ 0 0 1 -3,-0.5 4,-3.3 1,-0.2 -1,-0.2 0.846 102.5 64.1 -59.0 -32.8 -3.6 -0.6 -8.7 40 40 A L H X S+ 0 0 6 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.931 100.4 50.2 -56.2 -47.6 -6.9 -2.5 -8.7 41 41 A A H < S+ 0 0 69 -4,-1.3 3,-0.3 -3,-0.4 -1,-0.2 0.935 116.8 40.6 -56.0 -48.0 -6.8 -2.8 -12.5 42 42 A A H >X S+ 0 0 34 -4,-1.5 3,-1.3 1,-0.2 4,-0.7 0.823 110.9 58.9 -69.2 -32.7 -3.2 -4.0 -12.3 43 43 A L H 3< S+ 0 0 2 -4,-3.3 3,-0.3 1,-0.3 -1,-0.2 0.781 89.1 72.8 -67.5 -27.7 -4.1 -6.1 -9.3 44 44 A A T 3< S+ 0 0 64 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.667 112.5 28.0 -61.3 -15.9 -6.7 -7.9 -11.4 45 45 A S T <4 S+ 0 0 120 -3,-1.3 2,-0.3 1,-0.2 -1,-0.2 0.414 131.2 23.3-123.2 -5.5 -3.8 -9.6 -13.1 46 46 A K < - 0 0 76 -4,-0.7 -1,-0.2 -3,-0.3 0, 0.0 -0.978 58.2-140.7-155.6 166.6 -1.2 -9.6 -10.3 47 47 A T - 0 0 81 -2,-0.3 -42,-0.1 -3,-0.1 -4,-0.1 -0.934 19.2-144.3-138.3 112.8 -0.7 -9.4 -6.6 48 48 A P - 0 0 3 0, 0.0 3,-0.3 0, 0.0 -42,-0.2 -0.293 16.3-129.9 -71.4 158.1 2.2 -7.4 -5.0 49 49 A D S S+ 0 0 70 -44,-2.1 2,-0.3 1,-0.3 -43,-0.2 0.811 100.3 18.6 -77.9 -30.6 4.0 -8.6 -1.8 50 50 A V E S-b 6 0A 1 -45,-1.5 -43,-0.8 26,-0.1 -1,-0.3 -0.775 78.2-164.2-145.3 94.6 3.5 -5.3 -0.1 51 51 A L E -bc 7 78A 0 26,-1.7 28,-1.4 -3,-0.3 2,-0.5 -0.581 1.3-160.9 -83.2 141.3 0.9 -2.9 -1.4 52 52 A L E -bc 8 79A 4 -45,-2.8 -43,-2.4 26,-0.3 2,-0.3 -0.984 10.3-168.9-124.3 119.6 0.9 0.8 -0.5 53 53 A S E - c 0 80A 0 26,-2.4 28,-1.1 -2,-0.5 -17,-0.1 -0.865 13.3-135.7-115.3 148.1 -2.3 2.9 -0.9 54 54 A D - 0 0 8 -19,-1.4 11,-0.2 -2,-0.3 -44,-0.1 -0.146 8.8-149.5 -82.9-178.0 -3.0 6.6 -0.8 55 55 A I + 0 0 1 1,-0.1 7,-0.4 7,-0.1 29,-0.2 -0.400 66.1 71.9-160.0 75.0 -5.9 8.2 1.0 56 56 A R S S+ 0 0 172 5,-1.0 6,-0.2 6,-0.1 -1,-0.1 -0.014 86.4 48.5 177.0 58.8 -7.3 11.5 -0.5 57 57 A M S S+ 0 0 121 4,-1.9 4,-0.2 1,-0.1 5,-0.2 0.164 85.8 67.5-163.3 -63.0 -9.1 11.0 -3.8 58 58 A P S > S- 0 0 30 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.286 97.9 -77.9 -60.2-165.6 -11.8 8.2 -4.0 59 59 A G T 3 S+ 0 0 82 1,-0.3 2,-1.5 3,-0.1 4,-0.1 0.991 129.1 38.7 -63.0 -65.1 -15.1 8.2 -2.2 60 60 A M T >> S- 0 0 87 1,-0.2 2,-3.5 2,-0.1 4,-1.1 -0.302 114.7-109.9 -85.2 53.2 -14.0 7.2 1.3 61 61 A D T <4 S- 0 0 40 -2,-1.5 -4,-1.9 -3,-0.8 -5,-1.0 -0.229 83.3 -37.0 55.7 -68.4 -10.8 9.3 1.0 62 62 A G T >> S+ 0 0 0 -2,-3.5 3,-2.1 -7,-0.4 4,-0.9 0.416 127.8 78.9-152.2 -35.6 -8.6 6.2 0.8 63 63 A L H X> S+ 0 0 0 -3,-1.0 4,-1.6 1,-0.3 3,-0.5 0.817 90.2 65.6 -53.6 -28.2 -9.9 3.5 3.1 64 64 A A H 3X S+ 0 0 14 -4,-1.1 4,-1.7 1,-0.3 -1,-0.3 0.864 92.6 60.6 -61.2 -34.4 -12.4 2.9 0.2 65 65 A L H <> S+ 0 0 0 -3,-2.1 4,-1.6 1,-0.2 -1,-0.3 0.866 101.0 54.4 -60.0 -36.0 -9.4 1.9 -1.9 66 66 A L H - 0 0 87 1,-0.2 3,-1.4 2,-0.1 4,-0.4 -0.299 55.6-170.4 -53.8 93.9 -13.7 7.0 7.9 87 87 A L T >> S+ 0 0 85 -2,-1.0 3,-1.5 1,-0.3 4,-0.8 0.732 73.4 84.9 -59.5 -21.9 -11.5 4.6 9.8 88 88 A D H >> S+ 0 0 118 1,-0.3 3,-1.1 2,-0.2 4,-0.7 0.858 86.0 51.8 -48.0 -43.5 -14.4 2.2 9.6 89 89 A A H <> S+ 0 0 9 -3,-1.4 4,-0.5 1,-0.3 -1,-0.3 0.753 97.7 67.1 -69.0 -23.1 -13.3 1.1 6.1 90 90 A A H <> S+ 0 0 0 -3,-1.5 4,-1.6 -4,-0.4 3,-0.3 0.752 92.4 62.5 -67.9 -23.0 -9.8 0.4 7.5 91 91 A V H S+ 0 0 0 -4,-0.5 5,-3.0 -3,-0.3 4,-1.8 0.942 102.7 47.5 -75.7 -53.9 -8.7 -4.0 5.6 94 94 A Y H <5S+ 0 0 104 -4,-1.6 -2,-0.2 3,-0.3 -1,-0.2 0.816 113.4 51.2 -58.8 -31.4 -7.4 -5.8 8.7 95 95 A Q H <5S+ 0 0 122 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.847 111.4 45.7 -75.9 -34.6 -9.9 -8.5 8.2 96 96 A Q H <5S- 0 0 4 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.684 131.0 -92.5 -80.7 -18.3 -8.9 -9.0 4.5 97 97 A G T <5 + 0 0 24 -4,-1.8 -3,-0.3 -5,-0.0 -2,-0.1 0.714 62.0 172.9 112.3 32.6 -5.2 -8.9 5.6 98 98 A A < - 0 0 12 -5,-3.0 -19,-0.1 -21,-0.3 3,-0.1 -0.093 34.5-128.6 -65.0 169.8 -4.2 -5.3 5.2 99 99 A F - 0 0 18 -21,-2.2 2,-0.3 1,-0.3 -20,-0.2 0.933 53.4 -96.6 -85.5 -55.2 -0.8 -4.1 6.4 100 100 A D E -d 79 0A 94 -22,-1.6 -20,-1.6 2,-0.0 2,-0.4 -0.981 35.3 -72.6 164.8-162.7 -1.7 -1.1 8.5 101 101 A Y E -d 80 0A 37 -2,-0.3 -20,-0.2 -22,-0.2 -18,-0.1 -0.949 38.2-170.6-132.9 112.5 -2.1 2.7 8.5 102 102 A L - 0 0 29 -22,-3.0 -2,-0.0 -2,-0.4 9,-0.0 -0.806 29.6-105.9-103.0 143.0 0.9 5.0 8.5 103 103 A P - 0 0 80 0, 0.0 -21,-0.1 0, 0.0 -1,-0.1 0.024 50.3 -82.0 -56.7 170.6 0.8 8.8 9.0 104 104 A K S S+ 0 0 104 2,-0.1 -22,-0.1 0, 0.0 -2,-0.1 0.886 109.6 88.0 -44.5 -47.2 1.2 11.2 6.0 105 105 A P + 0 0 69 0, 0.0 -3,-0.0 0, 0.0 2,-0.0 0.010 45.7 127.2 -48.0 162.0 5.0 10.8 6.3 106 106 A F >> + 0 0 11 7,-0.0 4,-1.6 5,-0.0 5,-1.5 -0.214 10.7 141.8-176.7 -84.0 6.6 7.9 4.4 107 107 A D H >5S- 0 0 69 3,-0.2 4,-1.9 2,-0.2 5,-0.5 0.136 81.4 -58.6 41.9-168.6 9.5 8.3 1.9 108 108 A I H >>S+ 0 0 40 3,-0.2 4,-2.4 2,-0.2 5,-0.8 0.956 137.3 53.3 -67.7 -51.5 12.0 5.6 2.0 109 109 A D H >5S+ 0 0 119 1,-0.2 4,-0.9 3,-0.2 -2,-0.2 0.924 120.5 30.4 -49.0 -57.4 13.0 5.9 5.6 110 110 A E H X5S+ 0 0 86 -4,-1.6 4,-1.1 2,-0.2 -3,-0.2 0.808 129.5 39.1 -77.0 -31.2 9.4 5.7 6.9 111 111 A A H X S+ 0 0 14 -4,-0.4 4,-1.1 -5,-0.2 3,-0.4 0.938 109.5 43.9 -74.9 -49.3 7.1 -6.2 7.9 119 119 A I H X S+ 0 0 41 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.832 109.6 59.8 -64.6 -31.4 7.9 -8.7 5.2 120 120 A S H < S+ 0 0 78 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.840 103.0 51.1 -64.9 -33.9 10.6 -10.1 7.6 121 121 A H H < S+ 0 0 158 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.786 113.8 45.5 -73.8 -28.0 7.8 -10.9 10.1 122 122 A Y H < S+ 0 0 143 -4,-1.1 -2,-0.2 -3,-0.1 -3,-0.1 0.954 84.4 165.8 -78.9 -55.9 5.8 -12.7 7.4 123 123 A Q < 0 0 154 -4,-2.9 -2,-0.1 1,-0.2 -3,-0.1 0.159 360.0 360.0 59.5 174.7 8.6 -14.8 5.8 124 124 A E 0 0 183 -4,-0.1 -1,-0.2 -122,-0.0 -4,-0.0 0.060 360.0 360.0-100.8 360.0 7.9 -17.7 3.4