==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 23-OCT-07 3B47 . COMPND 2 MOLECULE: METHYL-ACCEPTING CHEMOTAXIS PROTEIN; . SOURCE 2 FRAGMENT: GSU0582 RESIDUES:35-168; . AUTHOR P.R.POKKULURI,M.SCHIFFER . 121 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8974.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 95 78.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 23.1 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 . 1 0.8 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 . 9 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 30.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.5 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 0 0 1 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 1 0 0 0 1 0 1 0 1 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 37 A I > 0 0 168 0, 0.0 3,-1.4 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -65.2 8.6 44.5 0.1 2 38 A M T 3 - 0 0 160 1,-0.3 5,-0.1 2,-0.1 0, 0.0 0.642 360.0 -84.6 63.0 20.5 7.1 41.1 0.7 3 39 A D T 3> S+ 0 0 73 1,-0.1 4,-2.1 3,-0.1 -1,-0.3 0.806 79.1 159.2 56.2 34.4 9.7 40.9 3.5 4 40 A L H <> + 0 0 84 -3,-1.4 4,-3.1 1,-0.2 5,-0.2 0.881 64.9 53.4 -54.4 -47.4 12.3 39.7 0.9 5 41 A Q H > S+ 0 0 116 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.894 110.2 48.1 -59.0 -40.7 15.4 40.6 2.9 6 42 A T H > S+ 0 0 61 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.932 114.2 46.2 -64.8 -45.5 14.2 38.6 5.9 7 43 A R H X S+ 0 0 125 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.894 114.3 48.5 -63.8 -39.8 13.4 35.6 3.7 8 44 A N H X S+ 0 0 92 -4,-3.1 4,-2.9 2,-0.2 -2,-0.2 0.922 111.5 49.2 -66.3 -43.4 16.8 36.0 2.0 9 45 A T H X S+ 0 0 85 -4,-2.8 4,-2.9 -5,-0.2 -2,-0.2 0.882 110.6 51.0 -62.8 -39.8 18.6 36.2 5.3 10 46 A R H X S+ 0 0 140 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.949 113.0 45.1 -63.9 -48.5 16.7 33.1 6.6 11 47 A G H X S+ 0 0 38 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.905 114.6 49.2 -61.1 -41.4 17.7 31.2 3.5 12 48 A L H X S+ 0 0 84 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.907 106.8 54.5 -64.7 -43.0 21.3 32.4 3.7 13 49 A S H X S+ 0 0 59 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.865 106.3 53.2 -60.9 -35.4 21.5 31.5 7.4 14 50 A T H X S+ 0 0 93 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.897 111.2 46.0 -65.1 -40.2 20.5 28.0 6.5 15 51 A L H X S+ 0 0 109 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.949 115.0 46.6 -65.9 -49.4 23.3 27.8 3.9 16 52 A V H X S+ 0 0 41 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.890 109.9 52.5 -61.7 -42.2 25.9 29.3 6.3 17 53 A V H X S+ 0 0 104 -4,-2.7 4,-1.8 -5,-0.2 -1,-0.2 0.872 108.7 52.0 -63.6 -35.4 24.9 27.0 9.2 18 54 A R H X S+ 0 0 145 -4,-1.5 4,-1.4 -5,-0.2 -2,-0.2 0.944 113.5 42.7 -65.6 -46.1 25.3 24.0 6.8 19 55 A D H X S+ 0 0 48 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.909 111.5 54.0 -66.0 -44.9 28.8 25.1 5.8 20 56 A I H X S+ 0 0 41 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.883 104.9 56.7 -56.3 -39.2 29.8 26.1 9.4 21 57 A G H X S+ 0 0 34 -4,-1.8 4,-1.1 -5,-0.2 -1,-0.2 0.898 106.7 47.6 -60.1 -44.2 28.8 22.6 10.4 22 58 A E H >< S+ 0 0 113 -4,-1.4 3,-0.5 1,-0.2 4,-0.3 0.922 113.7 47.8 -63.0 -44.3 31.2 21.0 7.9 23 59 A L H ><>S+ 0 0 39 -4,-2.4 3,-1.7 1,-0.2 5,-0.5 0.880 105.0 59.8 -66.0 -36.0 34.0 23.3 9.0 24 60 A M H ><5S+ 0 0 91 -4,-2.8 3,-2.1 1,-0.3 -1,-0.2 0.807 87.4 74.6 -63.1 -27.1 33.3 22.6 12.7 25 61 A M T <<5S+ 0 0 161 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.735 90.4 60.0 -58.6 -19.1 34.0 18.8 12.1 26 62 A A T < 5S- 0 0 71 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.627 98.5-137.2 -83.5 -15.0 37.7 19.8 12.0 27 63 A G T < 5 + 0 0 73 -3,-2.1 2,-0.4 -4,-0.3 -3,-0.1 0.847 65.4 122.7 60.3 32.0 37.8 21.2 15.5 28 64 A D >< - 0 0 72 -5,-0.5 4,-0.6 1,-0.1 3,-0.4 -0.970 48.0-166.3-129.7 114.0 39.8 24.1 14.1 29 65 A M H > S+ 0 0 111 -2,-0.4 4,-2.2 1,-0.2 3,-0.4 0.762 82.9 72.8 -70.2 -25.4 38.6 27.7 14.5 30 66 A A H > S+ 0 0 26 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.923 94.3 52.1 -55.7 -46.2 41.1 29.0 12.0 31 67 A V H > S+ 0 0 33 -3,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.842 107.3 53.5 -61.1 -31.7 39.2 27.5 9.1 32 68 A I H X S+ 0 0 18 -4,-0.6 4,-2.5 -3,-0.4 3,-0.4 0.948 106.1 52.9 -65.9 -48.4 36.0 29.2 10.4 33 69 A E H X S+ 0 0 128 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.844 108.0 50.8 -54.8 -38.4 37.8 32.6 10.4 34 70 A R H X S+ 0 0 161 -4,-1.8 4,-1.0 2,-0.2 -1,-0.2 0.813 109.3 50.0 -73.1 -30.5 38.8 32.1 6.8 35 71 A Y H >X S+ 0 0 55 -4,-1.3 4,-0.9 -3,-0.4 3,-0.5 0.951 111.4 48.8 -70.1 -49.4 35.3 31.3 5.6 36 72 A V H >X S+ 0 0 49 -4,-2.5 4,-2.3 1,-0.2 3,-0.7 0.886 108.2 54.0 -56.4 -43.6 33.9 34.3 7.4 37 73 A A H 3< S+ 0 0 61 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.824 108.9 49.2 -62.6 -31.7 36.5 36.6 5.9 38 74 A D H << S+ 0 0 115 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.629 113.4 47.1 -83.7 -13.9 35.6 35.4 2.4 39 75 A V H X< S+ 0 0 61 -4,-0.9 3,-1.3 -3,-0.7 -2,-0.2 0.842 86.4 104.0 -93.9 -39.7 31.8 36.0 3.0 40 76 A R T 3< S+ 0 0 165 -4,-2.3 3,-0.1 1,-0.2 79,-0.0 -0.010 83.8 15.2 -46.6 142.5 31.8 39.5 4.6 41 77 A G T 3 S+ 0 0 42 1,-0.2 79,-1.1 78,-0.2 80,-0.5 0.551 104.4 103.3 70.8 10.2 30.8 42.5 2.5 42 78 A K < + 0 0 82 -3,-1.3 -1,-0.2 77,-0.2 75,-0.2 -0.787 42.7 58.9-122.4 165.9 29.1 40.4 -0.3 43 79 A G + 0 0 43 73,-2.6 -1,-0.1 1,-0.3 74,-0.1 0.181 58.2 147.8 107.5 -16.3 25.6 39.5 -1.4 44 80 A A - 0 0 33 77,-0.3 72,-2.1 72,-0.1 2,-0.4 -0.248 53.4-116.3 -56.5 133.9 24.1 42.9 -2.0 45 81 A V E +A 115 0A 87 70,-0.2 70,-0.3 1,-0.2 -1,-0.1 -0.609 34.7 178.4 -72.6 123.5 21.5 43.0 -4.8 46 82 A L E - 0 0 41 68,-3.3 2,-0.3 -2,-0.4 69,-0.2 0.741 59.7 -2.9 -99.3 -28.5 22.9 45.3 -7.5 47 83 A D E -A 114 0A 56 67,-1.5 67,-2.5 76,-0.0 -1,-0.3 -0.984 45.3-170.5-164.2 153.0 20.1 45.1 -10.1 48 84 A L E +A 113 0A 105 -2,-0.3 2,-0.3 65,-0.2 65,-0.2 -0.848 22.7 167.7-150.5 105.9 16.8 43.5 -11.0 49 85 A R E -A 112 0A 132 63,-2.2 63,-3.4 -2,-0.3 2,-0.4 -0.866 24.3-138.3-123.9 157.6 15.3 43.9 -14.5 50 86 A I E -A 111 0A 97 -2,-0.3 8,-0.6 61,-0.2 2,-0.3 -0.899 16.0-168.4-115.2 142.3 12.5 42.3 -16.6 51 87 A Y E -AB 110 57A 16 59,-2.8 59,-1.7 -2,-0.4 7,-0.1 -0.919 19.5-119.4-127.5 154.7 12.7 41.3 -20.3 52 88 A D E > -A 109 0A 61 4,-3.5 3,-2.1 -2,-0.3 57,-0.3 -0.266 43.6 -87.3 -84.1 177.4 10.0 40.3 -22.8 53 89 A A T 3 S+ 0 0 55 55,-0.8 56,-0.2 1,-0.3 54,-0.1 0.621 126.5 56.6 -60.6 -15.1 9.7 37.0 -24.6 54 90 A A T 3 S- 0 0 38 54,-0.2 -1,-0.3 2,-0.2 12,-0.1 0.478 120.5-103.9 -96.1 -4.8 12.0 38.4 -27.4 55 91 A G S < S+ 0 0 0 -3,-2.1 7,-1.6 1,-0.4 10,-0.2 0.514 79.8 132.2 94.4 4.8 14.8 39.3 -25.1 56 92 A R - 0 0 119 5,-0.2 -4,-3.5 1,-0.1 -1,-0.4 -0.638 55.3-117.9 -90.4 149.5 14.0 43.0 -25.2 57 93 A P B B 51 0A 72 0, 0.0 -6,-0.2 0, 0.0 -5,-0.2 0.005 360.0 360.0 -72.8-173.5 13.8 45.1 -22.0 58 94 A A 0 0 139 -8,-0.6 -2,-0.1 -7,-0.1 -7,-0.1 0.941 360.0 360.0 -55.0 360.0 10.7 46.8 -20.7 59 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 60 100 A A 0 0 118 0, 0.0 -5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 153.3 17.4 45.7 -29.5 61 101 A P - 0 0 55 0, 0.0 2,-0.6 0, 0.0 -5,-0.2 -0.165 360.0-115.4 -61.8 157.9 17.1 42.2 -28.1 62 102 A D > - 0 0 55 -7,-1.6 4,-3.1 1,-0.2 5,-0.2 -0.878 15.4-150.5-102.0 117.0 19.6 40.9 -25.6 63 103 A G H > S+ 0 0 53 -2,-0.6 4,-2.7 1,-0.2 5,-0.2 0.890 96.3 46.0 -49.6 -51.8 21.7 37.9 -26.8 64 104 A E H > S+ 0 0 110 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.895 114.6 48.9 -62.2 -39.7 22.3 36.3 -23.5 65 105 A V H > S+ 0 0 2 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.922 111.6 48.9 -66.1 -43.4 18.6 36.7 -22.6 66 106 A Q H X S+ 0 0 87 -4,-3.1 4,-2.9 2,-0.2 -2,-0.2 0.931 112.4 48.8 -59.7 -46.6 17.5 35.2 -25.9 67 107 A A H X S+ 0 0 57 -4,-2.7 4,-3.1 -5,-0.2 5,-0.3 0.919 110.9 50.4 -59.3 -44.5 19.9 32.4 -25.4 68 108 A A H X>S+ 0 0 2 -4,-2.6 4,-1.1 1,-0.2 5,-1.1 0.918 113.1 46.1 -60.0 -43.6 18.5 31.9 -21.8 69 109 A L H <5S+ 0 0 19 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.859 113.6 49.3 -66.7 -37.0 15.0 31.9 -23.3 70 110 A T H <5S+ 0 0 123 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.920 112.6 45.4 -70.1 -43.6 16.0 29.5 -26.0 71 111 A S H <5S- 0 0 78 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.704 100.6-140.0 -72.0 -19.2 17.7 27.1 -23.6 72 112 A G T <5 + 0 0 20 -4,-1.1 2,-0.3 -5,-0.3 -3,-0.2 0.732 65.7 103.5 66.3 22.3 14.7 27.4 -21.3 73 113 A A S > - 0 0 92 -2,-2.0 4,-1.5 1,-0.1 3,-1.3 -0.175 36.7-100.3 -63.3 161.3 2.1 29.3 -16.4 95 137 A V T 34 S+ 0 0 115 1,-0.3 4,-0.3 2,-0.2 3,-0.2 0.863 124.3 56.2 -52.2 -39.5 -1.6 28.6 -16.8 96 138 A R T >4 S+ 0 0 199 1,-0.2 3,-0.5 2,-0.2 -1,-0.3 0.808 108.5 48.4 -65.1 -27.4 -2.5 31.5 -14.5 97 139 A C G X> S+ 0 0 34 -3,-1.3 3,-2.1 1,-0.2 4,-0.9 0.766 92.5 79.1 -79.4 -29.0 -0.5 33.8 -16.8 98 140 A Q G 3< S+ 0 0 58 -4,-1.5 5,-0.3 1,-0.3 -1,-0.2 0.559 72.2 79.1 -58.7 -10.6 -2.2 32.5 -19.9 99 141 A S G <4 S+ 0 0 105 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.823 115.9 15.5 -67.3 -28.0 -5.3 34.6 -19.2 100 142 A C T <4 S+ 0 0 114 -3,-2.1 2,-0.4 1,-0.2 -2,-0.2 0.387 122.2 63.6-126.1 -1.4 -3.4 37.6 -20.6 101 143 A H S < S- 0 0 95 -4,-0.9 -1,-0.2 4,-0.0 7,-0.0 -0.997 96.7 -99.0-128.4 125.0 -0.4 36.0 -22.5 102 144 A E > - 0 0 137 -2,-0.4 3,-2.1 1,-0.2 -3,-0.1 -0.154 27.2-135.3 -46.6 123.7 -1.0 33.8 -25.5 103 145 A Q T 3 S+ 0 0 148 -5,-0.3 -1,-0.2 1,-0.3 -5,-0.1 0.579 96.3 78.9 -60.3 -8.4 -0.7 30.2 -24.3 104 146 A G T 3 S+ 0 0 65 -6,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.686 78.2 80.5 -75.1 -17.9 1.4 29.4 -27.3 105 147 A A < - 0 0 25 -3,-2.1 -12,-0.1 1,-0.1 3,-0.1 -0.771 65.0-156.3 -93.5 131.6 4.5 31.0 -25.7 106 148 A R S S+ 0 0 180 -2,-0.4 -13,-3.4 1,-0.1 2,-0.3 0.867 84.1 30.6 -70.8 -35.5 6.4 28.9 -23.2 107 149 A F E - D 0 92A 27 -15,-0.3 -15,-0.2 1,-0.1 -1,-0.1 -0.921 55.4-161.0-125.8 150.0 7.8 32.1 -21.7 108 150 A N E S- 0 0 37 -17,-2.5 -55,-0.8 -2,-0.3 2,-0.3 0.483 73.9 -63.0-102.0 -7.6 6.5 35.6 -21.2 109 151 A G E -AD 52 91A 1 -18,-0.8 -18,-4.0 -57,-0.3 -1,-0.3 -0.988 57.5 -85.3 157.8-159.3 10.0 37.0 -20.6 110 152 A A E -AD 51 90A 0 -59,-1.7 -59,-2.8 -20,-0.3 2,-0.4 -0.953 19.2-131.5-144.9 162.2 12.9 36.7 -18.3 111 153 A M E -AD 50 89A 42 -22,-2.7 -22,-3.1 -2,-0.3 2,-0.6 -0.961 14.5-154.0-119.2 130.3 14.2 38.2 -15.0 112 154 A L E -AD 49 88A 16 -63,-3.4 -63,-2.2 -2,-0.4 2,-0.4 -0.929 15.1-178.9-107.2 119.3 17.8 39.5 -14.6 113 155 A L E -AD 48 87A 56 -26,-2.7 -26,-3.4 -2,-0.6 2,-0.4 -0.970 2.3-174.0-119.6 131.3 19.2 39.4 -11.1 114 156 A T E -AD 47 86A 12 -67,-2.5 -68,-3.3 -2,-0.4 -67,-1.5 -0.987 1.7-176.7-130.3 129.6 22.6 40.7 -10.2 115 157 A T E -AD 45 85A 35 -30,-2.4 -30,-2.7 -2,-0.4 2,-0.4 -0.820 29.0-102.2-120.9 163.6 24.4 40.5 -6.9 116 158 A S E + D 0 84A 0 -72,-2.1 -73,-2.6 -2,-0.3 -32,-0.2 -0.709 27.1 174.3 -93.0 132.7 27.8 41.7 -5.6 117 159 A L + 0 0 50 -34,-2.1 2,-0.7 -2,-0.4 -33,-0.2 0.191 60.5 101.0-110.5 6.1 30.8 39.5 -5.2 118 160 A E S > S- 0 0 58 -35,-0.5 3,-2.3 3,-0.2 -2,-0.1 -0.860 81.0-119.9 -99.1 114.9 32.8 42.6 -4.3 119 161 A E T 3 S+ 0 0 124 -2,-0.7 -78,-0.2 1,-0.3 -77,-0.2 -0.246 95.9 6.9 -53.4 129.1 33.4 43.1 -0.6 120 162 A G T 3 S+ 0 0 69 -79,-1.1 2,-0.6 1,-0.2 -1,-0.3 0.326 99.6 119.5 80.8 -9.0 31.9 46.4 0.6 121 163 A Y < + 0 0 59 -3,-2.3 -77,-0.3 -80,-0.5 -3,-0.2 -0.820 18.1 150.0 -97.3 121.8 30.2 47.1 -2.7 122 164 A A 0 0 66 -2,-0.6 -1,-0.1 1,-0.6 -77,-0.1 -0.077 360.0 360.0-136.2 32.9 26.4 47.5 -2.7 123 165 A G 0 0 83 -79,-0.1 -1,-0.6 -76,-0.0 -77,-0.1 -0.326 360.0 360.0 86.4 360.0 25.8 50.0 -5.5