==== 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 1KRW . 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) . 6578.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 89 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 16.1 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 . 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 . 6 4.8 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 . 46 37.1 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 1 0 0 2 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 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 0 112 0, 0.0 2,-0.4 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 171.2 11.7 -16.1 3.3 2 2 A Q - 0 0 92 1,-0.2 121,-0.0 2,-0.1 47,-0.0 -0.653 360.0-137.1-124.4 111.4 10.8 -14.3 1.9 3 3 A R - 0 0 149 -2,-0.4 -1,-0.2 1,-0.1 26,-0.1 0.884 49.8-117.6 -46.7 -29.1 12.5 -12.2 -0.0 4 4 A G - 0 0 8 1,-0.2 25,-2.6 24,-0.1 2,-0.6 0.908 32.6-169.6 79.8 87.6 10.6 -9.2 1.1 5 5 A I E -a 29 0A 13 23,-0.2 44,-2.2 42,-0.1 45,-1.5 -0.920 2.3-173.0-112.7 113.3 8.7 -7.6 -1.8 6 6 A V E -ab 30 50A 1 23,-2.8 25,-1.8 -2,-0.6 2,-0.4 -0.906 3.1-167.2-107.7 125.4 7.2 -4.2 -1.1 7 7 A W E -ab 31 51A 20 43,-2.1 45,-2.5 -2,-0.5 2,-0.4 -0.922 3.2-167.3-114.4 134.1 4.9 -2.7 -3.7 8 8 A V E -ab 32 52A 4 23,-3.6 25,-1.2 -2,-0.4 2,-0.5 -0.940 9.8-157.2-122.3 143.8 3.8 1.0 -3.7 9 9 A V E +ab 33 53A 1 43,-3.2 45,-1.9 -2,-0.4 46,-0.4 -0.937 45.0 103.2-123.8 109.6 1.1 2.8 -5.6 10 10 A D S S- 0 0 17 23,-1.7 26,-0.0 -2,-0.5 3,-0.0 -0.951 89.2 -49.3-164.5-177.2 1.5 6.5 -6.0 11 11 A D S S- 0 0 108 -2,-0.3 3,-0.2 1,-0.1 2,-0.1 0.692 76.6-143.1 -44.9 -10.5 2.5 9.1 -8.6 12 12 A D S >> S+ 0 0 46 21,-0.3 3,-1.6 1,-0.2 4,-1.1 -0.472 72.9 53.6 76.0-147.5 5.6 7.0 -9.3 13 13 A S H 3> S+ 0 0 81 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.180 119.3 32.6 22.0 -85.7 8.9 8.7 -10.1 14 14 A S H 3> S+ 0 0 83 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.961 127.9 39.8 -55.9 -56.9 9.1 11.0 -7.1 15 15 A I H <> S+ 0 0 57 -3,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.773 115.9 56.0 -65.1 -25.0 7.3 8.6 -4.7 16 16 A R H X S+ 0 0 97 -4,-1.1 4,-2.8 2,-0.2 5,-0.3 0.940 106.6 46.1 -72.3 -50.2 9.3 5.8 -6.3 17 17 A W H X S+ 0 0 163 -4,-3.1 4,-1.5 1,-0.2 5,-0.4 0.896 115.1 47.5 -60.3 -43.2 12.7 7.2 -5.7 18 18 A V H X S+ 0 0 55 -4,-1.9 4,-1.1 -5,-0.2 -1,-0.2 0.923 121.9 33.0 -65.8 -48.1 12.0 8.1 -2.1 19 19 A L H X S+ 0 0 5 -4,-1.7 4,-1.8 -5,-0.2 -2,-0.2 0.776 116.5 56.7 -81.2 -29.3 10.4 4.8 -1.1 20 20 A E H X S+ 0 0 43 -4,-2.8 4,-2.2 -5,-0.2 -3,-0.2 0.984 112.1 37.1 -67.1 -59.3 12.5 2.6 -3.4 21 21 A R H X S+ 0 0 136 -4,-1.5 4,-2.0 -5,-0.3 5,-0.2 0.939 119.8 47.9 -59.2 -51.3 15.9 3.5 -2.1 22 22 A A H X S+ 0 0 49 -4,-1.1 4,-0.6 -5,-0.4 -1,-0.2 0.919 117.2 42.0 -57.6 -46.1 14.9 3.9 1.5 23 23 A L H <>S+ 0 0 1 -4,-1.8 5,-1.4 1,-0.2 3,-0.5 0.795 108.8 61.0 -72.2 -26.5 13.1 0.5 1.4 24 24 A A H ><5S+ 0 0 54 -4,-2.2 3,-1.4 1,-0.3 -1,-0.2 0.872 96.8 59.4 -67.1 -34.6 15.9 -0.9 -0.5 25 25 A G H 3<5S+ 0 0 73 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.792 99.2 58.3 -62.9 -26.1 18.2 -0.1 2.4 26 26 A A T 3<5S- 0 0 55 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.2 0.659 123.5-107.0 -77.2 -15.7 15.9 -2.4 4.4 27 27 A G T < 5S+ 0 0 61 -3,-1.4 2,-0.3 -4,-0.5 -3,-0.2 0.733 78.7 114.4 97.3 26.2 16.7 -5.2 2.1 28 28 A L < - 0 0 32 -5,-1.4 2,-0.7 -8,-0.2 -1,-0.3 -0.805 69.8-100.9-126.2 168.7 13.4 -5.5 0.1 29 29 A T E -a 5 0A 70 -25,-2.6 -23,-2.8 -2,-0.3 2,-0.6 -0.788 35.5-168.9 -91.8 115.3 12.1 -5.0 -3.4 30 30 A C E +a 6 0A 23 -2,-0.7 2,-0.3 -25,-0.2 -23,-0.2 -0.906 11.9 167.6-110.8 113.6 10.3 -1.7 -3.8 31 31 A T E -a 7 0A 56 -25,-1.8 -23,-3.6 -2,-0.6 2,-0.3 -0.924 16.6-152.3-122.5 146.2 8.3 -1.1 -7.0 32 32 A T E -a 8 0A 14 -2,-0.3 -23,-0.2 -25,-0.2 2,-0.2 -0.785 5.6-160.2-119.5 162.6 5.8 1.6 -7.6 33 33 A F E -a 9 0A 9 -25,-1.2 -23,-1.7 -2,-0.3 -21,-0.3 -0.792 35.0 -97.6-133.7 173.5 2.7 2.1 -9.8 34 34 A E S S- 0 0 93 -2,-0.2 -25,-0.1 -25,-0.2 -1,-0.1 0.911 91.2 -50.1 -62.6 -47.0 0.6 4.8 -11.3 35 35 A N S S- 0 0 61 -24,-0.1 19,-0.3 -27,-0.1 20,-0.1 0.162 91.2 -56.1-161.3 -61.7 -2.2 4.8 -8.7 36 36 A G S > S+ 0 0 2 17,-0.1 4,-1.3 -28,-0.1 3,-0.1 0.378 119.3 69.1-163.4 -43.9 -3.8 1.6 -7.6 37 37 A N H > S+ 0 0 99 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.839 94.3 63.6 -60.4 -33.3 -5.2 -0.1 -10.6 38 38 A E H >> S+ 0 0 65 1,-0.2 4,-2.5 2,-0.2 3,-0.6 0.958 100.1 48.9 -57.1 -55.3 -1.7 -0.8 -11.9 39 39 A V H 3> S+ 0 0 1 1,-0.3 4,-3.2 2,-0.2 -1,-0.2 0.875 106.2 60.1 -53.4 -37.6 -0.8 -3.0 -8.9 40 40 A L H 3X S+ 0 0 12 -4,-1.3 4,-0.7 2,-0.2 -1,-0.3 0.912 109.3 41.7 -56.4 -44.7 -4.0 -4.9 -9.5 41 41 A A H X< S+ 0 0 72 -4,-1.6 3,-1.0 -3,-0.6 -2,-0.2 0.939 118.0 44.9 -68.4 -48.8 -2.9 -5.8 -13.0 42 42 A A H >< S+ 0 0 38 -4,-2.5 3,-1.6 1,-0.3 4,-0.4 0.817 105.3 63.8 -64.6 -31.8 0.6 -6.6 -12.1 43 43 A L H >< S+ 0 0 10 -4,-3.2 3,-0.8 -5,-0.3 -1,-0.3 0.755 82.3 78.8 -64.4 -24.9 -0.7 -8.5 -9.1 44 44 A A T << S+ 0 0 76 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.698 109.1 27.5 -57.4 -18.7 -2.3 -10.9 -11.5 45 45 A S T < S+ 0 0 114 -3,-1.6 2,-0.3 1,-0.2 -1,-0.3 0.357 131.9 22.5-123.4 0.1 1.1 -12.4 -11.9 46 46 A K < - 0 0 85 -3,-0.8 -1,-0.2 -4,-0.4 0, 0.0 -0.990 56.6-146.6-162.4 160.4 2.7 -11.6 -8.6 47 47 A T - 0 0 86 -2,-0.3 -42,-0.1 -3,-0.1 2,-0.0 -0.935 16.1-147.1-138.9 114.7 1.9 -10.8 -4.9 48 48 A P - 0 0 4 0, 0.0 -42,-0.2 0, 0.0 3,-0.1 -0.330 20.8-125.1 -75.3 159.6 4.1 -8.5 -2.8 49 49 A D S S+ 0 0 49 -44,-2.2 2,-0.3 1,-0.2 -43,-0.2 0.774 96.8 17.8 -75.3 -26.5 4.4 -9.0 1.0 50 50 A V E -b 6 0A 0 -45,-1.5 -43,-2.1 26,-0.1 2,-0.4 -0.991 69.5-160.2-146.0 133.5 3.3 -5.5 1.7 51 51 A L E -bc 7 78A 1 26,-2.2 28,-1.8 -2,-0.3 2,-0.5 -0.948 1.4-162.1-120.0 134.4 1.4 -3.0 -0.5 52 52 A L E -bc 8 79A 11 -45,-2.5 -43,-3.2 -2,-0.4 2,-0.4 -0.966 8.5-168.9-119.1 122.1 1.2 0.8 0.0 53 53 A S E -bc 9 80A 1 26,-2.8 28,-1.2 -2,-0.5 -43,-0.2 -0.921 15.3-147.9-116.0 136.6 -1.6 2.8 -1.7 54 54 A D - 0 0 23 -45,-1.9 28,-0.1 -2,-0.4 3,-0.1 0.385 20.5-146.4 -81.0 -2.3 -1.8 6.6 -1.9 55 55 A I + 0 0 8 -46,-0.4 7,-0.2 1,-0.2 29,-0.1 0.381 44.2 132.1 32.7 97.8 -5.4 7.4 -1.9 56 56 A R S S- 0 0 131 -21,-0.0 6,-0.2 26,-0.0 -1,-0.2 0.011 77.1 -54.3-158.8 47.8 -6.2 10.4 -4.0 57 57 A M S S+ 0 0 105 4,-2.7 5,-0.2 -3,-0.1 4,-0.1 0.754 71.9 140.5 88.9 28.5 -8.7 9.9 -6.0 58 58 A P S S- 0 0 52 0, 0.0 3,-0.2 0, 0.0 5,-0.0 0.903 84.2 -40.9 -65.4-101.5 -8.8 7.2 -8.1 59 59 A G S S+ 0 0 65 1,-0.2 2,-0.4 3,-0.0 4,-0.0 0.849 139.2 20.3 -98.2 -53.3 -12.2 5.8 -8.3 60 60 A M S >> S- 0 0 85 29,-0.0 2,-3.1 26,-0.0 3,-1.2 -0.537 120.4 -83.1-118.1 63.3 -13.5 5.8 -4.9 61 61 A D T 34 S- 0 0 53 -2,-0.4 -4,-2.7 1,-0.3 23,-0.1 -0.047 91.7 -53.3 63.0 -42.7 -11.3 8.4 -3.3 62 62 A G T >> S+ 0 0 0 -2,-3.1 3,-1.2 -5,-0.2 4,-0.5 0.130 129.5 82.7 165.9 -30.9 -8.7 5.8 -2.8 63 63 A L H X> S+ 0 0 0 -3,-1.2 4,-1.5 1,-0.3 3,-0.5 0.720 75.8 80.4 -67.0 -19.2 -10.4 3.0 -1.0 64 64 A A H 3X S+ 0 0 23 -4,-0.9 4,-1.7 1,-0.3 -1,-0.3 0.871 85.6 59.2 -54.3 -37.5 -11.6 1.8 -4.4 65 65 A L H <> S+ 0 0 9 -3,-1.2 4,-2.2 1,-0.2 -1,-0.3 0.911 100.1 55.2 -58.3 -44.3 -8.2 0.2 -4.8 66 66 A L H > + 0 0 56 -2,-0.8 3,-1.8 -3,-0.3 4,-0.6 0.425 52.7 160.8-148.3 44.2 -15.6 6.8 2.7 87 87 A L H >> + 0 0 77 1,-0.3 4,-1.8 2,-0.2 3,-1.1 0.714 62.9 85.3 -48.9 -22.4 -13.9 5.0 5.5 88 88 A D H 3> S+ 0 0 106 1,-0.3 4,-1.5 2,-0.2 3,-0.3 0.902 88.6 46.8 -48.1 -49.4 -16.5 2.3 4.8 89 89 A A H <> S+ 0 0 17 -3,-1.8 4,-0.8 1,-0.2 -1,-0.3 0.736 106.6 62.4 -67.1 -21.2 -14.4 0.7 2.1 90 90 A A H S+ 0 0 0 -4,-0.8 5,-2.5 1,-0.2 4,-1.6 0.936 96.4 53.2 -64.5 -47.8 -10.1 -3.7 3.5 94 94 A Y H <5S+ 0 0 86 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.808 108.1 54.0 -58.2 -28.3 -8.9 -4.8 6.8 95 95 A Q H <5S+ 0 0 122 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.872 111.5 42.3 -74.1 -38.1 -11.1 -7.8 6.3 96 96 A Q H <5S- 0 0 14 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.612 139.0 -75.2 -84.7 -12.4 -9.7 -8.7 3.1 97 97 A G T <5S+ 0 0 16 -4,-1.6 -19,-0.5 1,-0.2 -3,-0.2 0.446 73.1 152.9 131.5 20.1 -6.3 -8.0 4.2 98 98 A A E < -d 78 0A 13 -5,-2.5 -1,-0.2 -21,-0.3 -19,-0.2 -0.539 36.9-143.6 -77.6 145.5 -5.4 -4.4 4.6 99 99 A F E - 0 0 58 -21,-2.7 2,-0.3 1,-0.3 -20,-0.2 0.955 55.7 -82.6 -77.5 -53.7 -2.8 -3.3 7.0 100 100 A D E -d 79 0A 50 -22,-1.4 -20,-1.7 2,-0.0 2,-0.3 -0.978 38.2 -87.2 173.1-167.3 -4.4 0.0 8.1 101 101 A Y E -d 80 0A 24 -2,-0.3 -20,-0.2 -22,-0.2 -19,-0.1 -0.944 26.7-125.8-132.4 152.8 -4.9 3.7 7.4 102 102 A L - 0 0 17 -22,-1.4 -19,-0.4 -2,-0.3 4,-0.0 -0.869 16.3-163.0-103.2 124.3 -2.9 6.8 8.1 103 103 A P S S- 0 0 103 0, 0.0 -20,-0.2 0, 0.0 -1,-0.2 0.976 71.2 -33.6 -68.2 -84.6 -4.7 9.7 9.9 104 104 A K S S+ 0 0 166 -22,-0.1 -2,-0.1 2,-0.1 -23,-0.0 0.838 117.1 74.9-106.6 -58.0 -2.7 12.8 9.5 105 105 A P + 0 0 64 0, 0.0 2,-0.1 0, 0.0 0, 0.0 -0.097 48.5 132.6 -57.5 160.3 1.0 11.9 9.4 106 106 A F >> + 0 0 50 -4,-0.0 4,-1.3 -24,-0.0 5,-1.2 -0.330 11.9 120.8-166.7-105.6 2.5 10.3 6.4 107 107 A D H >5S- 0 0 88 3,-0.2 4,-2.2 2,-0.2 5,-0.2 0.246 87.0 -67.8 42.5-179.4 5.8 11.1 4.5 108 108 A I H >>S+ 0 0 53 3,-0.2 4,-3.4 2,-0.2 5,-0.7 0.911 132.3 60.3 -67.6 -42.8 8.4 8.5 4.2 109 109 A D H >5S+ 0 0 100 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.941 118.5 27.3 -49.8 -57.8 9.2 8.5 7.9 110 110 A E H X5S+ 0 0 76 -4,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.825 124.9 51.6 -77.0 -32.0 5.7 7.5 9.0 111 111 A A H X