==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 18-SEP-08 3EJW . COMPND 2 MOLECULE: SMLSRB; . SOURCE 2 ORGANISM_SCIENTIFIC: SINORHIZOBIUM MELILOTI; . AUTHOR S.T.MILLER,J.R.MCAULEY,C.PEREIRA,K.B.XAVIER,M.E.TAGA . 630 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24358.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 454 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 87 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 3.8 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 . 2 0.3 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 . 47 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 216 34.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.1 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 3 1 1 1 2 2 0 2 4 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 3 10 0 0 2 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 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 2 0 0 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 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 E 0 0 159 0, 0.0 31,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 164.3 2.7 47.4 43.9 2 2 A N - 0 0 28 29,-0.5 31,-2.9 57,-0.1 2,-0.6 -0.398 360.0-138.0 -66.8 143.3 4.3 44.3 42.4 3 3 A Q E -a 33 0A 63 29,-0.2 57,-1.9 55,-0.2 58,-1.7 -0.939 25.1-176.2-105.9 121.9 6.3 42.1 44.8 4 4 A I E -ab 34 61A 0 29,-3.1 31,-2.6 -2,-0.6 2,-0.4 -0.971 14.7-152.0-127.1 122.8 9.5 40.9 43.3 5 5 A A E -ab 35 62A 0 56,-2.6 58,-2.5 -2,-0.5 2,-0.5 -0.802 5.1-164.6 -93.2 134.1 12.0 38.5 44.8 6 6 A F E -ab 36 63A 0 29,-3.1 31,-1.5 -2,-0.4 58,-0.2 -0.963 14.5-172.1-120.0 111.9 15.7 38.7 43.8 7 7 A I E - b 0 64A 0 56,-2.8 58,-2.2 -2,-0.5 31,-0.2 -0.901 7.9-158.3-117.1 123.9 17.6 35.6 44.8 8 8 A P - 0 0 0 0, 0.0 3,-0.2 0, 0.0 59,-0.1 -0.382 36.8-107.2 -86.5 171.7 21.3 35.0 44.7 9 9 A K S S- 0 0 3 1,-0.3 2,-0.3 57,-0.1 34,-0.2 0.886 102.1 -23.6 -58.6 -41.2 23.2 31.6 44.6 10 10 A L - 0 0 8 32,-0.1 3,-0.3 3,-0.1 -1,-0.3 -0.966 69.5-113.8-163.8 161.5 24.1 32.6 48.2 11 11 A V S S+ 0 0 6 28,-1.9 376,-0.1 -2,-0.3 3,-0.1 -0.502 86.2 54.6 -94.4 166.8 24.4 35.6 50.4 12 12 A G S S+ 0 0 26 1,-0.2 2,-0.4 -2,-0.2 375,-0.2 0.635 79.5 109.7 86.4 14.3 27.6 37.0 52.0 13 13 A V S >> S- 0 0 12 -3,-0.3 4,-2.1 1,-0.1 3,-1.3 -0.993 70.7-132.8-124.3 124.2 29.5 37.3 48.7 14 14 A G H 3> S+ 0 0 18 -2,-0.4 4,-2.6 1,-0.3 5,-0.2 0.786 103.0 59.0 -45.8 -42.8 30.1 40.8 47.3 15 15 A F H 3> S+ 0 0 9 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.922 112.5 39.2 -52.5 -47.3 29.0 39.9 43.8 16 16 A F H <> S+ 0 0 7 -3,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.871 112.8 55.0 -77.8 -36.0 25.5 38.9 45.0 17 17 A T H X S+ 0 0 33 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.919 111.1 46.4 -57.7 -43.0 25.3 41.7 47.6 18 18 A S H X S+ 0 0 15 -4,-2.6 4,-1.8 -5,-0.2 -2,-0.2 0.894 111.7 50.0 -70.1 -42.7 25.9 44.3 44.9 19 19 A G H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.924 111.1 49.9 -58.8 -46.4 23.5 42.7 42.5 20 20 A G H X S+ 0 0 1 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.882 106.6 55.1 -61.3 -38.2 20.8 42.7 45.2 21 21 A A H X S+ 0 0 59 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.904 108.1 48.9 -63.2 -41.3 21.5 46.4 46.0 22 22 A G H X S+ 0 0 3 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.910 112.3 49.0 -60.8 -44.5 20.9 47.3 42.3 23 23 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.929 111.9 47.8 -61.1 -46.0 17.6 45.2 42.4 24 24 A V H X S+ 0 0 50 -4,-2.9 4,-1.5 1,-0.2 10,-0.2 0.936 112.1 49.5 -63.9 -44.4 16.4 46.9 45.6 25 25 A K H X S+ 0 0 117 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.917 108.7 53.0 -57.8 -45.4 17.2 50.4 44.3 26 26 A A H X S+ 0 0 0 -4,-2.4 4,-3.2 1,-0.2 5,-0.3 0.867 101.9 60.3 -61.6 -35.3 15.4 49.7 41.0 27 27 A G H X>S+ 0 0 1 -4,-1.9 5,-2.8 1,-0.2 4,-1.7 0.938 107.1 45.3 -56.1 -45.7 12.4 48.6 43.0 28 28 A E H <5S+ 0 0 149 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.893 114.7 48.6 -66.1 -38.8 12.3 52.1 44.5 29 29 A E H <5S+ 0 0 88 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.928 119.4 36.4 -64.8 -44.5 12.8 53.7 41.1 30 30 A V H <5S- 0 0 29 -4,-3.2 -2,-0.2 -5,-0.1 -1,-0.2 0.621 114.1-109.9 -90.5 -12.4 10.1 51.7 39.3 31 31 A G T <5S+ 0 0 22 -4,-1.7 -29,-0.5 -5,-0.3 2,-0.3 0.915 73.5 123.2 82.1 50.3 7.6 51.5 42.2 32 32 A A < - 0 0 7 -5,-2.8 2,-0.8 -31,-0.2 -1,-0.3 -0.957 65.2-113.8-135.6 155.3 7.8 47.9 43.2 33 33 A K E -a 3 0A 129 -31,-2.9 -29,-3.1 -2,-0.3 2,-0.5 -0.819 36.6-169.8 -89.8 110.2 8.6 46.0 46.4 34 34 A V E -a 4 0A 21 -2,-0.8 2,-0.6 -10,-0.2 -29,-0.2 -0.890 6.6-164.4-105.6 125.5 11.9 44.1 45.8 35 35 A T E -a 5 0A 42 -31,-2.6 -29,-3.1 -2,-0.5 2,-0.7 -0.940 4.8-159.9-108.4 118.4 13.1 41.6 48.4 36 36 A Y E +a 6 0A 42 -2,-0.6 2,-0.3 -31,-0.2 -29,-0.2 -0.870 37.0 138.0 -93.2 116.5 16.8 40.4 48.2 37 37 A D + 0 0 7 -31,-1.5 -2,-0.1 -2,-0.7 352,-0.0 -0.985 12.8 138.7-159.9 149.8 17.0 37.1 50.0 38 38 A G - 0 0 3 -2,-0.3 -27,-0.1 -31,-0.2 -29,-0.1 -0.976 47.7 -61.1-179.7 175.3 18.6 33.7 49.6 39 39 A P - 0 0 11 0, 0.0 -28,-1.9 0, 0.0 322,-0.0 -0.222 31.1-132.4 -74.5 161.7 20.4 30.8 51.3 40 40 A T S S+ 0 0 34 -30,-0.2 321,-0.3 321,-0.1 320,-0.1 0.555 97.3 49.7 -88.3 -10.4 23.8 31.0 53.1 41 41 A E S S- 0 0 95 319,-0.1 2,-2.4 320,-0.1 5,-0.1 -0.978 92.7-117.5-127.3 143.3 24.9 28.0 51.2 42 42 A P + 0 0 38 0, 0.0 2,-0.3 0, 0.0 -32,-0.1 -0.353 62.4 145.0 -79.9 62.7 24.6 27.5 47.4 43 43 A S > - 0 0 43 -2,-2.4 4,-2.4 -34,-0.2 5,-0.2 -0.759 58.5-135.5-106.4 148.2 22.3 24.5 47.6 44 44 A V H > S+ 0 0 53 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.943 111.1 53.0 -57.3 -47.9 19.5 23.4 45.4 45 45 A S H > S+ 0 0 78 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.925 108.9 48.8 -55.7 -47.9 17.5 22.6 48.6 46 46 A G H > S+ 0 0 6 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.930 112.8 46.2 -59.3 -48.5 18.1 26.1 49.9 47 47 A Q H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.919 111.1 53.0 -62.6 -40.2 17.1 27.9 46.7 48 48 A V H X S+ 0 0 30 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.877 107.6 52.0 -61.1 -38.4 14.0 25.7 46.4 49 49 A Q H X S+ 0 0 126 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.912 111.8 45.4 -67.9 -42.2 12.9 26.6 50.0 50 50 A F H X S+ 0 0 33 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.918 112.8 51.1 -65.0 -43.7 13.2 30.3 49.3 51 51 A I H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.954 111.6 47.7 -55.3 -49.8 11.4 29.9 45.9 52 52 A N H X S+ 0 0 44 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.886 109.9 53.6 -61.9 -39.6 8.6 28.1 47.7 53 53 A N H X S+ 0 0 69 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.926 110.7 44.2 -62.2 -46.4 8.4 30.7 50.4 54 54 A F H <>S+ 0 0 5 -4,-2.3 5,-2.4 2,-0.2 -1,-0.2 0.881 114.3 50.1 -69.0 -36.5 8.0 33.6 48.0 55 55 A V H ><5S+ 0 0 7 -4,-2.2 3,-1.9 -5,-0.2 -2,-0.2 0.935 109.6 51.2 -63.5 -46.8 5.5 31.7 45.9 56 56 A N H 3<5S+ 0 0 110 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.769 105.7 56.4 -63.1 -25.5 3.5 30.9 49.1 57 57 A Q T 3<5S- 0 0 96 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.461 118.7-114.0 -82.1 -1.7 3.5 34.6 50.0 58 58 A G T < 5 + 0 0 43 -3,-1.9 -3,-0.2 -4,-0.2 -55,-0.2 0.810 49.6 177.4 73.3 28.5 1.9 35.3 46.6 59 59 A Y < - 0 0 19 -5,-2.4 -55,-0.2 1,-0.1 -1,-0.1 -0.264 28.7-138.4 -57.1 151.6 4.9 37.2 45.2 60 60 A N S S+ 0 0 52 -57,-1.9 25,-2.8 1,-0.2 2,-0.3 0.767 75.8 4.5 -87.9 -26.2 4.4 38.4 41.6 61 61 A A E -bc 4 85A 0 -58,-1.7 -56,-2.6 23,-0.2 2,-0.4 -0.997 55.1-159.7-155.2 153.5 7.8 37.6 40.2 62 62 A L E -bc 5 86A 1 23,-2.5 25,-2.7 -2,-0.3 2,-0.5 -0.997 2.2-164.7-138.8 146.7 11.1 36.0 41.2 63 63 A I E -bc 6 87A 0 -58,-2.5 -56,-2.8 -2,-0.4 2,-0.4 -0.978 20.5-177.9-132.8 114.2 14.5 36.4 39.6 64 64 A V E -bc 7 88A 0 23,-2.2 25,-1.7 -2,-0.5 2,-0.7 -0.911 32.4-144.9-126.2 141.1 17.1 33.8 40.6 65 65 A S - 0 0 0 -58,-2.2 2,-0.2 -2,-0.4 27,-0.2 -0.928 42.0-139.7 -95.9 111.1 20.7 33.0 39.9 66 66 A S - 0 0 0 25,-2.5 73,-0.4 -2,-0.7 74,-0.4 -0.511 25.3-158.6 -85.3 140.1 20.5 29.3 39.9 67 67 A V S S+ 0 0 10 -2,-0.2 -23,-0.1 71,-0.1 -1,-0.1 0.460 85.1 38.3 -84.4 0.4 23.0 26.8 41.4 68 68 A S - 0 0 10 70,-0.2 4,-0.4 23,-0.1 70,-0.1 -0.994 67.7-138.2-153.7 139.5 21.6 24.1 39.0 69 69 A P S S+ 0 0 36 0, 0.0 25,-2.7 0, 0.0 -1,-0.1 0.898 106.4 4.6 -61.1 -40.3 20.4 23.8 35.4 70 70 A D S > S+ 0 0 98 23,-0.2 3,-1.7 2,-0.1 23,-0.1 0.596 103.7 90.6-125.1 -14.6 17.5 21.5 36.5 71 71 A G T 3 S+ 0 0 27 1,-0.3 4,-0.3 2,-0.1 -1,-0.1 0.753 95.4 44.4 -60.5 -26.6 17.3 21.2 40.2 72 72 A L T 3> S+ 0 0 0 -4,-0.4 4,-2.7 1,-0.1 5,-0.3 0.482 85.8 98.9 -91.8 -7.0 15.0 24.2 40.6 73 73 A a H <> S+ 0 0 14 -3,-1.7 4,-3.1 1,-0.2 5,-0.3 0.899 80.3 48.0 -55.7 -48.9 12.7 23.2 37.7 74 74 A P H > S+ 0 0 80 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.944 116.1 44.7 -57.4 -44.7 9.9 21.6 39.7 75 75 A A H > S+ 0 0 3 -4,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.890 115.9 46.7 -66.2 -39.8 9.7 24.5 42.1 76 76 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.854 110.4 52.3 -71.9 -37.0 9.9 27.1 39.3 77 77 A K H X S+ 0 0 92 -4,-3.1 4,-2.1 -5,-0.3 -1,-0.2 0.849 108.0 52.1 -66.3 -32.9 7.3 25.3 37.3 78 78 A R H X S+ 0 0 101 -4,-1.9 4,-0.9 -5,-0.3 -2,-0.2 0.920 110.0 50.6 -65.7 -41.8 5.0 25.4 40.3 79 79 A A H ><>S+ 0 0 0 -4,-1.9 5,-2.3 1,-0.2 3,-0.8 0.942 111.2 46.6 -57.5 -50.6 5.7 29.1 40.5 80 80 A M H ><5S+ 0 0 54 -4,-2.7 3,-1.7 1,-0.2 -1,-0.2 0.865 106.5 57.2 -67.3 -33.9 4.8 29.7 36.8 81 81 A E H 3<5S+ 0 0 149 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.723 104.5 54.4 -71.3 -16.4 1.6 27.6 37.0 82 82 A R T <<5S- 0 0 154 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.244 126.9-102.0 -95.3 10.4 0.4 29.9 39.8 83 83 A G T < 5S+ 0 0 65 -3,-1.7 2,-0.4 1,-0.3 -3,-0.2 0.606 73.6 146.2 82.8 11.8 1.0 32.9 37.5 84 84 A V < - 0 0 10 -5,-2.3 2,-0.5 -6,-0.2 -1,-0.3 -0.682 51.7-124.2 -79.8 130.1 4.3 33.9 39.2 85 85 A L E -c 61 0A 18 -25,-2.8 -23,-2.5 -2,-0.4 2,-0.5 -0.653 28.3-158.4 -73.7 125.3 6.7 35.4 36.6 86 86 A V E +c 62 0A 0 -2,-0.5 13,-2.5 -25,-0.2 14,-0.5 -0.934 19.3 162.4-112.7 125.6 10.0 33.5 36.8 87 87 A M E -cd 63 100A 0 -25,-2.7 -23,-2.2 -2,-0.5 2,-0.3 -0.884 23.0-143.8-131.7 160.6 13.2 34.9 35.5 88 88 A T E -cd 64 101A 0 12,-2.8 14,-2.8 -2,-0.3 2,-0.3 -0.869 10.6-170.1-119.0 160.8 16.9 34.1 36.0 89 89 A W E - d 0 102A 0 -25,-1.7 2,-2.2 2,-0.5 -23,-0.2 -0.977 66.7 -5.7-144.5 147.6 19.9 36.4 36.3 90 90 A D S S+ 0 0 3 12,-1.7 2,-0.5 -2,-0.3 14,-0.2 -0.420 131.9 37.5 73.9 -76.3 23.7 35.5 36.2 91 91 A S S S- 0 0 0 -2,-2.2 -25,-2.5 12,-0.1 -2,-0.5 -0.938 84.9-146.3-114.1 125.2 23.3 31.7 36.2 92 92 A D - 0 0 0 -2,-0.5 47,-0.3 -27,-0.2 2,-0.3 -0.124 4.0-143.5 -85.1 172.1 20.4 30.3 34.1 93 93 A V - 0 0 0 1,-0.1 -23,-0.2 46,-0.1 5,-0.1 -0.788 55.9 -59.3-119.5 171.8 18.1 27.3 34.5 94 94 A N > - 0 0 60 -25,-2.7 3,-2.7 -2,-0.3 4,-0.2 -0.313 57.8-119.1 -49.4 135.2 16.8 25.1 31.6 95 95 A P G > S+ 0 0 10 0, 0.0 3,-1.1 0, 0.0 -1,-0.2 0.730 112.1 61.4 -59.2 -26.3 14.9 27.6 29.4 96 96 A D G 3 S+ 0 0 58 1,-0.2 -2,-0.1 198,-0.0 3,-0.0 0.463 99.5 60.8 -76.4 1.4 11.6 25.7 29.8 97 97 A a G < S+ 0 0 0 -3,-2.7 2,-0.3 -4,-0.1 -1,-0.2 0.363 112.8 21.7-110.2 2.3 11.9 26.5 33.5 98 98 A R < - 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