==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 21-JUN-07 2QDL . COMPND 2 MOLECULE: CHEMOTAXIS SIGNAL TRANSDUCTION PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOANAEROBACTER TENGCONGENSIS; . AUTHOR W.YAO,L.SHI,D.C.LIANG . 300 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16312.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 109 36.3 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 . 10 3.3 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 . 53 17.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 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 RESIDUES PER ALPHA HELIX . 0 2 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 0 0 0 PARALLEL BRIDGES PER LADDER . 5 3 0 2 0 7 3 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 . 2 0 0 0 0 0 0 0 0 0 2 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 2 A K 0 0 131 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 123.7 23.8 35.9 14.1 2 3 A H - 0 0 161 1,-0.0 2,-0.2 0, 0.0 0, 0.0 -0.793 360.0-151.9 -82.5 121.1 27.2 37.6 14.8 3 4 A H - 0 0 156 -2,-0.6 2,-0.4 2,-0.0 -1,-0.0 -0.548 0.7-141.5 -96.2 159.6 29.8 36.0 12.6 4 5 A H - 0 0 152 -2,-0.2 3,-0.1 3,-0.1 -1,-0.0 -0.909 15.8-172.1-120.1 143.8 33.5 35.7 13.3 5 6 A H + 0 0 185 -2,-0.4 -1,-0.1 1,-0.1 -2,-0.0 0.066 52.4 114.6-119.8 27.5 36.5 36.1 10.9 6 7 A H S S- 0 0 166 1,-0.2 -1,-0.1 2,-0.0 0, 0.0 0.925 87.3 -1.9 -62.2 -46.8 39.3 34.9 13.3 7 8 A H S S- 0 0 105 -3,-0.1 -1,-0.2 2,-0.0 -3,-0.1 -0.973 92.2 -77.5-143.9 156.8 40.2 31.8 11.4 8 9 A P - 0 0 115 0, 0.0 -3,-0.1 0, 0.0 -2,-0.0 -0.282 34.3-165.4 -54.6 132.0 39.0 30.0 8.3 9 10 A M - 0 0 132 3,-0.0 3,-0.1 95,-0.0 -2,-0.0 -0.760 19.0-160.2-120.8 85.5 35.8 28.0 8.8 10 11 A P - 0 0 68 0, 0.0 2,-0.2 0, 0.0 96,-0.1 -0.118 29.5 -90.6 -64.8 154.2 35.6 25.7 5.7 11 12 A K E -A 105 0A 37 94,-1.0 94,-2.5 15,-0.0 2,-0.5 -0.496 45.2-151.0 -55.7 126.6 32.5 23.9 4.2 12 13 A K E -A 104 0A 37 92,-0.2 15,-2.4 -2,-0.2 2,-0.5 -0.951 9.2-163.1-110.6 121.2 32.5 20.5 6.0 13 14 A I E -AB 103 26A 2 90,-3.2 90,-2.7 -2,-0.5 2,-0.6 -0.909 13.9-141.6-104.2 128.1 30.9 17.5 4.1 14 15 A V E -AB 102 25A 1 11,-3.3 11,-2.0 -2,-0.5 2,-0.5 -0.823 24.4-152.8 -82.1 120.7 29.9 14.3 5.8 15 16 A V E +AB 101 24A 0 86,-2.8 85,-1.9 -2,-0.6 86,-1.0 -0.858 21.1 168.1-105.1 129.4 30.8 11.6 3.3 16 17 A F E -AB 99 23A 0 7,-2.5 7,-2.7 -2,-0.5 2,-0.3 -0.914 25.8-123.5-135.6 160.7 28.9 8.3 3.3 17 18 A S E -AB 98 22A 15 81,-1.5 80,-2.1 -2,-0.3 81,-0.6 -0.816 13.0-168.3-113.9 150.8 28.8 5.4 0.9 18 19 A L E > S- B 0 21A 1 3,-2.4 3,-2.1 -2,-0.3 57,-0.1 -0.953 72.4 -50.5-129.7 112.2 26.0 3.7 -1.0 19 20 A A T 3 S- 0 0 16 55,-0.6 54,-0.1 -2,-0.4 56,-0.1 -0.342 125.2 -18.3 51.5-126.1 27.3 0.5 -2.6 20 21 A E T 3 S+ 0 0 139 -3,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.256 122.4 89.8 -93.4 20.2 30.5 1.4 -4.4 21 22 A E E < -B 18 0A 70 -3,-2.1 -3,-2.4 114,-0.0 2,-0.4 -0.824 65.9-131.4-124.8 153.2 29.8 5.2 -4.5 22 23 A L E +B 17 0A 40 112,-0.5 114,-1.2 -2,-0.3 2,-0.3 -0.850 25.3 174.6-106.7 134.4 30.5 8.3 -2.4 23 24 A Y E -Bc 16 136A 2 -7,-2.7 -7,-2.5 -2,-0.4 2,-0.3 -0.923 9.3-159.0-131.4 156.7 27.8 10.8 -1.5 24 25 A G E -Bc 15 137A 0 112,-2.4 114,-2.0 -2,-0.3 2,-0.3 -0.975 14.4-169.4-140.6 159.5 27.9 13.8 0.8 25 26 A L E -B 14 0A 2 -11,-2.0 -11,-3.3 -2,-0.3 2,-0.2 -0.987 39.1-103.3-134.8 146.3 25.9 16.3 2.8 26 27 A D E >> -B 13 0A 29 -2,-0.3 3,-2.0 -13,-0.2 4,-0.6 -0.493 32.3-124.8 -60.2 132.7 26.9 19.5 4.5 27 28 A I G >4 S+ 0 0 30 -15,-2.4 3,-0.8 1,-0.3 -1,-0.1 0.790 111.2 69.0 -48.9 -31.0 27.3 18.8 8.2 28 29 A F G 34 S+ 0 0 159 -16,-0.3 -1,-0.3 1,-0.2 -15,-0.1 0.819 100.8 46.0 -58.8 -33.3 24.8 21.7 8.7 29 30 A D G <4 S+ 0 0 53 -3,-2.0 2,-0.9 1,-0.1 57,-0.3 0.561 94.0 87.5 -86.9 -10.7 22.1 19.5 7.1 30 31 A V << + 0 0 0 -3,-0.8 55,-0.2 -4,-0.6 3,-0.1 -0.790 49.1 172.9 -91.9 98.8 23.1 16.5 9.3 31 32 A H - 0 0 54 53,-2.3 2,-0.3 -2,-0.9 -1,-0.2 0.875 66.0 -30.5 -75.1 -39.7 21.1 16.8 12.5 32 33 A E E -L 84 0B 6 52,-1.1 52,-3.0 218,-0.1 2,-0.4 -0.972 51.8-127.0-167.5 171.0 22.1 13.5 13.9 33 34 A V E -LM 83 249B 4 216,-2.2 216,-2.3 -2,-0.3 2,-0.3 -0.982 27.7-180.0-132.4 118.4 23.1 10.0 12.9 34 35 A V E -L 82 0B 18 48,-3.3 48,-3.9 -2,-0.4 2,-0.1 -0.756 36.9 -85.6-111.8 161.0 21.3 7.0 14.4 35 36 A K E -L 81 0B 80 -2,-0.3 2,-2.2 46,-0.3 46,-0.3 -0.380 38.5-112.5 -64.4 146.0 21.9 3.2 13.8 36 37 A D S S+ 0 0 24 44,-1.2 2,-0.3 42,-0.2 3,-0.1 -0.492 77.9 114.2 -77.4 70.0 20.1 1.4 10.9 37 38 A V + 0 0 104 -2,-2.2 45,-0.0 1,-0.1 -2,-0.0 -0.985 56.0 21.6-144.6 153.6 17.8 -0.7 13.1 38 39 A S + 0 0 100 -2,-0.3 2,-0.6 1,-0.2 16,-0.3 0.917 63.4 167.3 54.2 50.8 14.1 -1.1 14.0 39 40 A I - 0 0 36 -3,-0.1 2,-0.7 14,-0.1 -1,-0.2 -0.842 27.1-145.9 -84.2 124.6 12.7 0.5 10.8 40 41 A T B -N 52 0B 93 12,-3.1 12,-2.6 -2,-0.6 2,-0.1 -0.892 13.8-129.8 -97.8 118.6 9.0 -0.4 10.9 41 42 A K - 0 0 155 -2,-0.7 10,-0.2 10,-0.2 9,-0.1 -0.440 17.1-145.5 -68.2 136.8 7.7 -1.0 7.4 42 43 A I > - 0 0 58 7,-0.3 3,-0.8 -2,-0.1 7,-0.1 -0.932 17.2-121.4-109.1 123.8 4.6 0.9 6.6 43 44 A P T 3 S+ 0 0 104 0, 0.0 8,-0.0 0, 0.0 -1,-0.0 -0.168 89.9 23.0 -59.9 151.5 2.0 -0.8 4.2 44 45 A E T 3 S+ 0 0 182 1,-0.2 3,-0.0 3,-0.0 0, 0.0 0.712 92.6 122.6 67.9 23.4 0.9 1.0 1.0 45 46 A T S < S- 0 0 30 -3,-0.8 -1,-0.2 4,-0.1 -4,-0.0 -0.824 71.7 -87.6-109.0 157.7 4.1 3.1 0.6 46 47 A P > - 0 0 25 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.245 41.0-113.0 -54.3 148.7 6.6 3.3 -2.3 47 48 A E T 3 S+ 0 0 156 1,-0.3 21,-0.1 20,-0.1 20,-0.1 0.798 115.4 62.1 -53.9 -34.5 9.4 0.7 -2.0 48 49 A F T 3 S+ 0 0 22 19,-0.2 16,-3.0 1,-0.1 2,-1.2 0.670 85.8 81.2 -73.4 -17.1 12.0 3.5 -1.5 49 50 A I E < - O 0 63B 5 -3,-1.6 -7,-0.3 14,-0.2 14,-0.2 -0.775 65.8-173.3 -83.1 95.2 10.2 4.5 1.7 50 51 A E E - 0 0 38 -2,-1.2 2,-0.3 12,-1.0 -1,-0.2 0.828 44.5-100.6 -61.9 -33.5 11.7 1.8 3.9 51 52 A G E - O 0 62B 0 11,-1.3 11,-3.1 -10,-0.2 2,-0.3 -0.999 45.5 -50.9 150.4-149.3 9.4 2.7 6.8 52 53 A I E -NO 40 61B 23 -12,-2.6 -12,-3.1 -2,-0.3 2,-0.3 -0.920 28.5-153.8-130.8 154.2 9.5 4.6 10.0 53 54 A I E - O 0 60B 15 7,-2.1 7,-2.5 -2,-0.3 2,-0.8 -0.924 18.5-133.8-118.7 151.4 11.5 4.9 13.1 54 55 A N E - O 0 59B 117 -16,-0.3 2,-0.7 -2,-0.3 5,-0.2 -0.904 28.5-177.4-101.8 102.9 10.4 6.1 16.6 55 56 A L E > - O 0 58B 27 3,-2.8 3,-1.6 -2,-0.8 -2,-0.0 -0.909 69.7 -33.2-111.1 107.1 13.0 8.5 17.7 56 57 A R T 3 S- 0 0 122 -2,-0.7 -1,-0.2 1,-0.3 3,-0.1 0.828 126.8 -43.6 51.4 38.9 12.4 9.9 21.2 57 58 A G T 3 S+ 0 0 58 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.427 115.8 114.2 91.9 -1.5 8.6 9.8 20.7 58 59 A K E < -O 55 0B 135 -3,-1.6 -3,-2.8 2,-0.0 2,-0.5 -0.887 65.6-126.9-108.4 140.1 8.6 11.2 17.1 59 60 A I E -O 54 0B 120 -2,-0.4 -5,-0.2 -5,-0.2 32,-0.1 -0.680 30.1-175.1 -78.5 120.2 7.6 9.4 13.9 60 61 A I E -O 53 0B 1 -7,-2.5 -7,-2.1 -2,-0.5 2,-0.2 -0.954 18.6-138.8-124.7 114.9 10.4 9.8 11.4 61 62 A P E -O 52 0B 11 0, 0.0 32,-2.5 0, 0.0 2,-0.5 -0.518 19.4-151.4 -71.3 135.8 10.0 8.5 7.8 62 63 A V E -Op 51 93B 0 -11,-3.1 -11,-1.3 -2,-0.2 -12,-1.0 -0.922 5.2-157.5-115.6 126.6 13.1 6.7 6.5 63 64 A I E -Op 49 94B 0 30,-3.0 32,-2.4 -2,-0.5 2,-0.8 -0.838 15.5-138.0-102.8 139.4 14.1 6.5 2.8 64 65 A D E > - p 0 95B 24 -16,-3.0 4,-2.0 -2,-0.4 3,-0.2 -0.897 16.9-161.2 -90.5 107.4 16.4 3.9 1.3 65 66 A L H > S+ 0 0 0 -2,-0.8 4,-3.2 30,-0.6 5,-0.3 0.809 86.6 58.4 -62.3 -35.7 18.5 6.1 -1.1 66 67 A K H >>S+ 0 0 14 2,-0.2 4,-2.3 1,-0.2 5,-2.2 0.912 110.5 43.5 -61.4 -40.5 19.6 3.2 -3.2 67 68 A K H 45S+ 0 0 82 3,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.860 115.8 48.8 -72.1 -36.9 16.0 2.4 -4.0 68 69 A R H <5S+ 0 0 49 -4,-2.0 -2,-0.2 -20,-0.2 -1,-0.2 0.903 123.6 31.2 -65.4 -42.6 15.3 6.1 -4.5 69 70 A F H <5S- 0 0 24 -4,-3.2 51,-0.2 -5,-0.1 -2,-0.2 0.672 108.8-115.4 -90.4 -22.4 18.3 6.6 -6.9 70 71 A G T <5 + 0 0 61 -4,-2.3 2,-0.2 -5,-0.3 -3,-0.2 0.819 57.8 157.5 85.1 37.2 18.4 3.1 -8.5 71 72 A I < - 0 0 13 -5,-2.2 -1,-0.2 -6,-0.2 -52,-0.1 -0.628 53.4 -84.4 -89.5 149.4 21.8 2.0 -7.0 72 73 A G - 0 0 24 -2,-0.2 2,-2.0 1,-0.1 -1,-0.1 -0.250 41.1-119.3 -50.4 138.6 22.8 -1.6 -6.6 73 74 A K S S+ 0 0 122 -3,-0.1 2,-0.3 -54,-0.1 -1,-0.1 -0.348 75.8 107.2 -85.7 59.2 21.5 -3.0 -3.3 74 75 A R + 0 0 130 -2,-2.0 -55,-0.6 1,-0.1 23,-0.1 -0.917 40.7 61.6-128.6 157.2 24.9 -3.9 -1.8 75 76 A G + 0 0 44 1,-0.3 2,-0.1 -2,-0.3 -1,-0.1 0.241 58.9 140.4 117.9 -8.7 27.0 -2.4 1.0 76 77 A K + 0 0 142 -3,-0.1 -1,-0.3 3,-0.1 2,-0.2 -0.435 19.4 131.0 -69.0 138.9 24.8 -2.9 4.0 77 78 A S S > S- 0 0 54 20,-0.2 3,-1.8 -2,-0.1 -1,-0.0 -0.855 74.4 -63.7-159.2-167.7 26.5 -3.9 7.3 78 79 A K T 3 S+ 0 0 124 1,-0.3 -42,-0.2 -2,-0.2 -2,-0.1 0.697 126.8 66.6 -62.7 -21.9 26.8 -3.0 11.0 79 80 A D T 3 S+ 0 0 27 18,-0.1 20,-0.4 -44,-0.1 -1,-0.3 0.543 76.4 118.5 -73.9 -10.1 28.3 0.3 9.9 80 81 A S < + 0 0 3 -3,-1.8 -44,-1.2 18,-0.1 2,-0.3 -0.278 42.8 176.7 -58.2 144.3 24.9 1.2 8.3 81 82 A R E -LQ 35 96B 23 15,-2.3 15,-2.2 -46,-0.3 2,-0.5 -0.897 33.0-122.4-140.8 171.3 23.3 4.3 9.8 82 83 A I E -LQ 34 95B 0 -48,-3.9 -48,-3.3 -2,-0.3 2,-0.6 -0.958 23.4-151.9-120.6 112.1 20.3 6.6 9.5 83 84 A I E -LQ 33 94B 0 11,-2.7 11,-2.1 -2,-0.5 2,-0.6 -0.729 12.9-141.9 -83.2 119.3 21.2 10.2 8.9 84 85 A I E +LQ 32 93B 0 -52,-3.0 -53,-2.3 -2,-0.6 -52,-1.1 -0.740 31.9 163.5 -85.6 121.6 18.5 12.5 10.4 85 86 A V E - Q 0 92B 0 7,-2.9 7,-2.2 -2,-0.6 2,-0.4 -0.643 34.5-118.7-123.6-177.4 17.9 15.5 8.2 86 87 A E E - Q 0 91B 97 -57,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.999 23.9-176.5-131.7 125.7 15.1 18.1 7.9 87 88 A I E > S- Q 0 90B 4 3,-3.0 3,-1.5 -2,-0.4 54,-0.0 -0.995 76.0 -15.0-129.6 118.6 13.1 18.5 4.7 88 89 A L T 3 S- 0 0 103 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.889 129.9 -52.7 52.1 47.3 10.6 21.3 4.5 89 90 A G T 3 S+ 0 0 50 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.569 118.6 109.8 70.6 10.2 10.7 21.7 8.3 90 91 A Q E < S- Q 0 87B 94 -3,-1.5 -3,-3.0 -30,-0.0 2,-0.2 -0.929 71.9-112.3-117.2 143.6 10.1 18.0 8.9 91 92 A K E + Q 0 86B 87 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.507 39.5 173.2 -72.5 136.8 12.4 15.3 10.2 92 93 A A E - Q 0 85B 1 -7,-2.2 -7,-2.9 -2,-0.2 2,-0.4 -0.950 22.3-137.2-141.0 156.0 13.4 12.6 7.7 93 94 A G E -pQ 62 84B 0 -32,-2.5 -30,-3.0 -2,-0.3 2,-0.5 -0.957 9.6-162.0-118.4 136.6 15.9 9.7 7.8 94 95 A L E -pQ 63 83B 0 -11,-2.1 -11,-2.7 -2,-0.4 2,-0.3 -0.984 18.1-134.0-118.8 124.0 18.3 8.6 5.0 95 96 A I E +pQ 64 82B 13 -32,-2.4 -30,-0.6 -2,-0.5 2,-0.3 -0.596 29.7 175.6 -75.1 133.9 19.8 5.1 5.1 96 97 A V E - 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