==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 30-APR-03 1P6U . COMPND 2 MOLECULE: CHEY2; . SOURCE 2 ORGANISM_SCIENTIFIC: SINORHIZOBIUM MELILOTI; . AUTHOR H.RIEPL,B.SCHARF,T.MAURER,R.SCHMITT,H.R.KALBITZER, . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7382.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 88 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 14.7 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 . 4 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 36.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 4.7 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 0 0 0 0 0 2 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 2 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 0 182 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -5.4 -1.3 -14.8 -13.8 2 2 A S - 0 0 119 1,-0.0 2,-0.2 0, 0.0 0, 0.0 0.860 360.0 -10.3 -78.8 -38.9 -4.3 -15.8 -16.0 3 3 A L S > S- 0 0 105 4,-0.0 3,-1.8 0, 0.0 4,-0.4 -0.691 102.2 -57.9-142.1-166.7 -6.2 -12.6 -15.3 4 4 A A G > S+ 0 0 25 1,-0.3 3,-0.8 -2,-0.2 29,-0.2 0.727 110.2 95.2 -53.3 -21.1 -6.1 -9.5 -13.2 5 5 A E G 3 S+ 0 0 111 1,-0.3 -1,-0.3 27,-0.1 28,-0.1 0.851 78.6 55.7 -36.1 -50.2 -6.2 -12.0 -10.4 6 6 A K G < S+ 0 0 95 -3,-1.8 2,-0.3 45,-0.1 -1,-0.3 0.937 103.2 61.8 -49.9 -54.3 -2.5 -11.8 -10.2 7 7 A I < + 0 0 46 -3,-0.8 2,-0.3 -4,-0.4 46,-0.0 -0.614 69.8 165.7 -79.1 132.0 -2.7 -8.1 -9.7 8 8 A K - 0 0 17 -2,-0.3 46,-3.2 24,-0.1 45,-2.4 -0.991 19.1-161.5-149.7 140.2 -4.5 -7.0 -6.5 9 9 A V E -ab 34 54A 3 24,-2.4 26,-1.3 -2,-0.3 2,-0.5 -0.974 4.0-158.2-126.3 138.8 -4.8 -3.8 -4.6 10 10 A L E -ab 35 55A 0 44,-1.5 46,-3.7 -2,-0.4 2,-0.7 -0.972 5.4-173.3-120.6 120.3 -5.9 -3.3 -1.0 11 11 A I E +ab 36 56A 0 24,-2.7 26,-0.6 -2,-0.5 2,-0.4 -0.825 24.8 150.0-115.0 89.8 -7.2 0.0 0.2 12 12 A V E +ab 37 57A 1 44,-1.6 46,-0.8 -2,-0.7 2,-0.3 -0.971 10.3 157.9-124.4 137.4 -7.7 -0.1 3.9 13 13 A D - 0 0 5 24,-0.6 3,-0.1 -2,-0.4 -2,-0.0 -0.916 53.3-108.5-148.2 171.0 -7.4 2.7 6.4 14 14 A D S S+ 0 0 74 -2,-0.3 2,-0.3 1,-0.2 3,-0.1 0.583 109.4 32.0 -78.7 -11.0 -8.6 3.8 9.8 15 15 A Q S > S- 0 0 119 1,-0.1 4,-2.7 0, 0.0 3,-0.5 -0.986 74.7-132.7-149.8 136.3 -10.8 6.3 8.1 16 16 A V H >>S+ 0 0 91 -2,-0.3 4,-2.1 1,-0.2 5,-1.0 0.925 107.8 62.5 -49.9 -51.5 -12.7 6.3 4.8 17 17 A T H >5S+ 0 0 72 1,-0.2 4,-1.1 3,-0.2 -1,-0.2 0.882 110.2 39.4 -39.9 -53.0 -11.4 9.8 4.1 18 18 A S H >5S+ 0 0 12 -3,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.960 127.7 34.2 -63.8 -53.8 -7.8 8.4 4.1 19 19 A R H >X>S+ 0 0 72 -4,-2.7 4,-3.6 2,-0.2 3,-1.0 1.000 117.9 48.6 -63.9 -71.3 -8.8 5.2 2.3 20 20 A L H 3X5S+ 0 0 70 -4,-2.1 4,-1.6 1,-0.3 -1,-0.2 0.785 111.4 57.5 -39.2 -31.9 -11.5 6.5 0.0 21 21 A L H 3XX S+ 0 0 22 -4,-4.9 3,-1.9 1,-0.3 4,-1.6 0.929 108.7 49.7 -55.8 -48.8 -5.6 4.7 -6.9 27 27 A Q H 3< S+ 0 0 117 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.816 105.7 57.8 -59.7 -31.9 -8.7 4.0 -9.0 28 28 A Q H 3< S+ 0 0 168 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.598 103.6 55.6 -73.9 -11.5 -7.8 7.0 -11.0 29 29 A L H << S- 0 0 76 -3,-1.9 -2,-0.2 -4,-0.5 -1,-0.2 0.902 119.2-104.5 -85.0 -48.5 -4.5 5.3 -11.7 30 30 A G < - 0 0 53 -4,-1.6 -3,-0.2 0, 0.0 -2,-0.1 0.684 45.9-174.5 119.8 61.6 -5.9 2.1 -13.2 31 31 A F - 0 0 69 -5,-0.3 3,-0.1 1,-0.1 -24,-0.0 -0.205 26.8-129.4 -76.7 171.5 -5.6 -0.7 -10.7 32 32 A K S S- 0 0 114 1,-0.2 2,-0.3 -28,-0.1 -24,-0.1 0.947 88.8 -8.0 -85.1 -63.2 -6.5 -4.3 -11.4 33 33 A Q - 0 0 97 -29,-0.2 -24,-2.4 -28,-0.1 -1,-0.2 -0.811 69.7-154.5-143.2 97.4 -8.8 -5.2 -8.5 34 34 A I E -a 9 0A 45 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.480 13.0-173.3 -72.4 139.7 -9.2 -2.7 -5.7 35 35 A T E -a 10 0A 35 -26,-1.3 -24,-2.7 -2,-0.2 2,-0.3 -0.942 5.8-162.9-141.4 115.4 -10.2 -4.1 -2.3 36 36 A A E +a 11 0A 40 -2,-0.4 -24,-0.3 -26,-0.2 2,-0.2 -0.717 12.5 179.9 -97.7 147.8 -11.1 -2.0 0.7 37 37 A A E -a 12 0A 24 -26,-0.6 -24,-0.6 -2,-0.3 6,-0.3 -0.719 43.5 -90.0-133.8-177.0 -11.1 -3.4 4.2 38 38 A G S S- 0 0 29 4,-0.4 -25,-0.4 1,-0.3 2,-0.3 0.970 87.0 -62.1 -61.6 -57.4 -11.8 -2.3 7.8 39 39 A D S > S- 0 0 52 -27,-0.2 4,-1.5 1,-0.1 3,-0.4 -0.947 86.9 -20.0 178.7 168.4 -8.3 -1.3 8.6 40 40 A G H >> S+ 0 0 1 -2,-0.3 4,-4.5 1,-0.3 3,-1.9 0.243 138.5 8.9 17.7-112.0 -4.7 -2.5 8.9 41 41 A E H 3>>S+ 0 0 60 1,-0.3 4,-2.7 2,-0.3 5,-0.8 0.931 122.6 69.2 -51.4 -52.8 -5.2 -6.2 9.4 42 42 A Q H 345S+ 0 0 103 -3,-0.4 -4,-0.4 1,-0.2 -1,-0.3 0.752 121.4 20.6 -37.5 -29.1 -8.9 -5.9 8.6 43 43 A G H > - 0 0 16 -2,-0.3 4,-4.3 -3,-0.2 5,-0.6 -0.755 61.0 -68.8-125.2 171.7 1.0 -0.7 9.3 66 66 A G H >5S+ 0 0 0 -8,-0.3 4,-1.4 1,-0.3 5,-0.1 0.743 139.4 46.3 -27.2 -37.4 3.9 -0.2 7.0 67 67 A L H >5S+ 0 0 51 2,-0.2 4,-2.1 3,-0.1 5,-0.3 0.986 121.6 32.0 -73.0 -64.2 5.8 -1.5 10.0 68 68 A G H >5S+ 0 0 28 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.876 117.9 57.7 -60.7 -39.8 3.6 -4.4 11.0 69 69 A L H X5S+ 0 0 6 -4,-4.3 4,-2.4 2,-0.2 -1,-0.2 0.922 108.2 47.3 -56.2 -47.4 2.7 -5.0 7.3 70 70 A L H >XX S+ 0 0 24 -4,-2.2 4,-1.8 -5,-0.3 3,-1.1 0.944 107.2 44.3 -64.8 -50.0 4.1 -9.5 8.3 73 73 A V H << S+ 0 0 0 -4,-2.4 7,-0.4 -3,-0.8 -2,-0.2 0.945 99.5 69.4 -59.0 -51.1 5.3 -10.0 4.7 74 74 A R H 3< S+ 0 0 139 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.760 107.8 41.7 -37.7 -30.2 8.7 -11.2 6.0 75 75 A A H << S+ 0 0 84 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.908 117.9 46.7 -84.7 -50.0 6.7 -14.2 7.1 76 76 A N X - 0 0 78 -4,-1.8 4,-1.5 1,-0.1 3,-0.3 -0.863 63.6-162.9-100.2 123.1 4.6 -14.6 4.0 77 77 A P H > S+ 0 0 87 0, 0.0 4,-0.8 0, 0.0 -1,-0.1 0.652 86.2 73.3 -75.1 -16.3 6.4 -14.4 0.7 78 78 A A H 4 S+ 0 0 34 1,-0.2 3,-0.2 2,-0.2 -26,-0.2 0.928 112.1 25.0 -61.8 -47.0 3.0 -13.8 -1.0 79 79 A T H >4 S+ 0 0 3 -3,-0.3 3,-1.9 1,-0.2 -1,-0.2 0.697 109.1 75.3 -88.8 -23.6 2.9 -10.3 0.4 80 80 A K H 3< S+ 0 0 82 -4,-1.5 -2,-0.2 -7,-0.4 -1,-0.2 0.713 100.2 46.7 -60.0 -19.7 6.7 -10.1 0.7 81 81 A K T 3< S+ 0 0 112 -4,-0.8 -1,-0.3 -3,-0.2 2,-0.3 0.468 103.6 82.7 -98.5 -6.7 6.5 -9.7 -3.1 82 82 A A S < S- 0 0 0 -3,-1.9 23,-0.4 -5,-0.1 24,-0.4 -0.662 74.7-130.6 -98.5 155.1 3.8 -7.1 -2.8 83 83 A A E -c 54 0A 7 -30,-1.8 -28,-2.9 -2,-0.3 2,-0.3 -0.468 14.7-150.9 -98.1 172.1 4.3 -3.4 -2.1 84 84 A F E -cd 55 107A 1 22,-3.4 24,-1.2 -30,-0.2 2,-0.5 -0.988 2.8-151.6-149.2 136.3 2.5 -1.2 0.4 85 85 A I E -cd 56 108A 16 -30,-2.4 -28,-3.0 -2,-0.3 2,-0.5 -0.920 9.2-171.6-111.7 132.6 1.7 2.5 0.6 86 86 A I E +c 57 0A 3 22,-1.8 24,-0.4 -2,-0.5 2,-0.3 -0.947 17.8 157.1-127.6 109.4 1.4 4.4 3.8 87 87 A L E -c 58 0A 18 -30,-1.4 -28,-2.8 -2,-0.5 -27,-0.4 -0.802 19.0-157.9-126.1 167.6 0.1 7.9 3.8 88 88 A T - 0 0 34 -2,-0.3 4,-0.1 22,-0.3 22,-0.0 -0.836 44.3 -87.6-138.5 174.8 -1.6 10.3 6.2 89 89 A A S S+ 0 0 86 -2,-0.3 -31,-0.0 2,-0.1 -2,-0.0 0.676 128.2 15.0 -57.9 -16.1 -3.8 13.3 6.3 90 90 A Q S S- 0 0 141 21,-0.0 2,-0.2 22,-0.0 -2,-0.1 0.577 111.7 -88.7-118.7 -86.8 -0.5 15.1 6.1 91 91 A G - 0 0 26 20,-0.2 2,-0.2 -4,-0.1 3,-0.1 -0.612 25.1-168.9 163.5 135.6 2.6 13.2 5.1 92 92 A D > + 0 0 58 -6,-0.3 4,-2.1 -2,-0.2 3,-0.3 -0.646 14.9 165.4-140.9 78.5 5.4 11.1 6.6 93 93 A R H > S+ 0 0 119 1,-0.3 4,-3.2 2,-0.2 5,-0.3 0.859 83.5 55.3 -60.9 -37.1 8.1 10.4 4.1 94 94 A A H > S+ 0 0 68 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.836 106.4 52.1 -64.5 -33.4 10.4 9.3 6.9 95 95 A L H > S+ 0 0 73 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.933 114.1 41.5 -67.6 -47.9 7.7 6.9 7.9 96 96 A V H >X S+ 0 0 9 -4,-2.1 4,-2.4 2,-0.2 3,-0.5 0.982 114.7 49.0 -62.5 -60.0 7.5 5.4 4.5 97 97 A Q H 3X S+ 0 0 130 -4,-3.2 4,-2.4 1,-0.3 -1,-0.2 0.773 109.5 57.7 -50.6 -27.5 11.2 5.4 3.8 98 98 A K H 3X S+ 0 0 129 -4,-1.1 4,-4.4 -5,-0.3 -1,-0.3 0.937 105.1 47.3 -69.0 -48.8 11.4 3.7 7.2 99 99 A A H S+ 0 0 0 -4,-2.0 4,-2.0 -3,-0.5 5,-1.0 0.944 113.8 47.8 -56.8 -51.6 9.2 0.9 6.2 100 100 A A H X5S+ 0 0 40 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.926 117.1 42.8 -54.9 -48.6 11.1 0.4 3.0 101 101 A A H <5S+ 0 0 79 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.916 104.1 66.3 -63.8 -44.9 14.3 0.5 5.0 102 102 A L H <5S- 0 0 84 -4,-4.4 -1,-0.2 1,-0.1 -2,-0.2 0.895 133.9 -79.4 -41.1 -52.8 12.8 -1.7 7.7 103 103 A G H <5S+ 0 0 24 -4,-2.0 2,-0.2 -5,-0.1 -3,-0.2 0.396 79.3 147.9 150.0 39.4 12.7 -4.5 5.2 104 104 A A << - 0 0 16 -5,-1.0 3,-0.2 -4,-0.8 -21,-0.1 -0.588 49.9-130.6 -94.0 157.7 9.7 -4.0 2.9 105 105 A N S S- 0 0 58 -23,-0.4 2,-0.2 1,-0.3 -22,-0.2 0.937 89.0 -19.1 -70.5 -49.0 9.5 -5.0 -0.7 106 106 A N + 0 0 10 -24,-0.4 -22,-3.4 23,-0.1 2,-0.4 -0.780 65.8 178.8-165.7 115.4 8.2 -1.6 -1.8 107 107 A V E -d 84 0A 7 -2,-0.2 2,-0.3 -24,-0.2 -22,-0.3 -0.987 6.0-173.6-125.7 128.6 6.6 1.1 0.2 108 108 A L E -d 85 0A 17 -24,-1.2 -22,-1.8 -2,-0.4 2,-0.2 -0.914 11.7-143.3-121.6 148.2 5.4 4.4 -1.1 109 109 A A - 0 0 5 -2,-0.3 -22,-0.2 -24,-0.2 12,-0.1 -0.529 6.7-145.0-103.1 171.7 4.1 7.5 0.7 110 110 A K + 0 0 74 -24,-0.4 -22,-0.3 -2,-0.2 4,-0.1 -0.479 39.8 152.1-136.9 62.3 1.4 9.9 -0.3 111 111 A P - 0 0 10 0, 0.0 -20,-0.2 0, 0.0 6,-0.0 0.195 65.4 -82.1 -75.0-160.4 2.5 13.3 1.1 112 112 A F S S+ 0 0 171 1,-0.1 2,-0.6 5,-0.0 3,-0.1 0.121 106.2 91.3 -94.0 19.1 1.7 16.7 -0.2 113 113 A T >> - 0 0 33 1,-0.1 4,-2.3 2,-0.0 3,-1.7 -0.873 55.8-168.6-120.1 97.0 4.5 16.4 -2.8 114 114 A I H 3>>S+ 0 0 107 -2,-0.6 4,-2.8 1,-0.3 5,-0.5 0.777 91.3 64.7 -51.3 -27.1 3.2 14.9 -6.1 115 115 A E H 3>5S+ 0 0 148 3,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.887 109.0 36.3 -63.8 -40.8 6.9 14.7 -6.8 116 116 A K H <>5S+ 0 0 87 -3,-1.7 4,-3.4 3,-0.2 -2,-0.2 0.966 123.8 40.8 -75.4 -57.7 7.4 12.2 -4.0 117 117 A M H X5S+ 0 0 45 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.944 122.0 42.2 -55.0 -54.2 4.1 10.4 -4.4 118 118 A K H X5S+ 0 0 109 -4,-2.8 4,-2.9 -5,-0.3 5,-0.2 0.971 119.2 43.2 -57.3 -58.4 4.3 10.4 -8.2 119 119 A A H XX S+ 0 0 10 -4,-3.4 4,-2.0 2,-0.2 3,-1.6 0.967 109.0 41.0 -58.5 -56.8 7.1 7.0 -5.5 121 121 A I H 3X S+ 0 0 36 -4,-2.9 4,-3.2 1,-0.3 5,-0.3 0.897 107.6 62.7 -58.0 -42.4 4.6 5.1 -7.7 122 122 A E H 3<>S+ 0 0 121 -4,-2.9 5,-1.2 1,-0.2 -1,-0.3 0.704 108.0 45.8 -56.0 -19.3 7.0 5.5 -10.6 123 123 A A H <<5S+ 0 0 18 -3,-1.6 3,-0.3 -4,-0.7 -2,-0.2 0.889 110.9 47.6 -88.8 -49.1 9.3 3.4 -8.5 124 124 A V H <5S+ 0 0 25 -4,-2.0 -2,-0.2 1,-0.3 -3,-0.2 0.805 120.6 41.4 -61.5 -29.7 6.8 0.8 -7.4 125 125 A F T <5S- 0 0 107 -4,-3.2 -1,-0.3 -5,-0.2 -2,-0.2 0.583 146.2 -8.0 -91.9 -14.1 5.8 0.6 -11.0 126 126 A G T 5S+ 0 0 46 -5,-0.3 2,-1.2 -3,-0.3 -3,-0.3 0.324 127.9 50.1-140.6 -80.4 9.4 0.8 -12.2 127 127 A A < - 0 0 62 -5,-1.2 -1,-0.2 1,-0.2 -2,-0.1 -0.634 60.2-179.7 -77.2 99.1 12.2 1.5 -9.7 128 128 A L 0 0 107 -2,-1.2 -1,-0.2 1,-0.2 -21,-0.2 0.998 360.0 360.0 -61.1 -71.1 11.5 -1.0 -7.0 129 129 A K 0 0 238 -23,-0.1 -1,-0.2 -6,-0.1 -23,-0.1 -0.451 360.0 360.0 -64.1 360.0 14.3 -0.0 -4.6