==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 22-MAR-10 3M9X . COMPND 2 MOLECULE: D-XYLOSE-BINDING PERIPLASMIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.SOORIYAARACHCHI,W.UBHAYASEKERA,S.L.MOWBRAY . 305 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13909.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 238 78.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 3.0 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 . 1 0.3 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 . 27 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 34.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 3.0 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 2 0 0 1 2 2 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 3 1 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 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 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 3 A V 0 0 47 0, 0.0 31,-2.2 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 127.5 -5.4 42.1 29.1 2 4 A K E -a 32 0A 97 29,-0.2 56,-2.1 54,-0.2 57,-2.0 -0.854 360.0-166.5 -90.5 121.2 -2.2 41.1 31.0 3 5 A I E -ab 33 59A 2 29,-3.1 31,-2.8 -2,-0.6 2,-0.5 -0.924 10.6-164.0-110.0 128.9 -0.8 37.7 30.1 4 6 A G E -ab 34 60A 0 55,-2.8 57,-3.5 -2,-0.5 2,-0.6 -0.953 9.9-162.5-101.5 127.2 1.8 35.8 32.1 5 7 A M E -ab 35 61A 0 29,-3.1 31,-2.3 -2,-0.5 2,-0.9 -0.905 5.4-169.5-114.1 112.0 3.4 32.9 30.1 6 8 A A E -ab 36 62A 0 55,-2.3 57,-2.4 -2,-0.6 2,-0.4 -0.830 9.0-174.4-105.8 97.6 5.2 30.4 32.1 7 9 A I E -ab 37 63A 0 29,-2.2 31,-1.9 -2,-0.9 3,-0.2 -0.741 20.8-144.0 -89.1 131.4 7.1 28.1 29.6 8 10 A D S S+ 0 0 0 55,-1.2 32,-1.0 -2,-0.4 2,-0.4 0.924 82.8 13.3 -62.3 -40.2 8.8 25.2 31.2 9 11 A D + 0 0 3 30,-0.2 6,-0.5 29,-0.2 -1,-0.2 -0.902 49.5 158.5-150.5 100.5 11.9 25.2 28.9 10 12 A L + 0 0 21 -2,-0.4 -1,-0.1 -3,-0.2 -2,-0.0 0.259 63.9 90.4-104.9 10.3 13.1 27.9 26.5 11 13 A R S S+ 0 0 160 4,-0.0 2,-0.2 2,-0.0 -1,-0.1 0.697 87.3 52.9 -77.4 -18.3 16.7 26.6 26.5 12 14 A L S S- 0 0 82 -3,-0.2 3,-0.3 1,-0.0 4,-0.2 -0.504 97.4-106.1-103.1 174.7 15.9 24.4 23.5 13 15 A E S >> S+ 0 0 154 1,-0.2 3,-1.2 -2,-0.2 4,-0.7 0.726 96.1 99.3 -64.4 -23.8 14.3 25.1 20.1 14 16 A R T 34 S+ 0 0 102 1,-0.3 4,-0.2 2,-0.1 -1,-0.2 0.726 95.7 9.9 -34.4 -60.2 11.1 23.4 21.4 15 17 A W T 3> S+ 0 0 17 -6,-0.5 4,-2.4 -3,-0.3 -1,-0.3 0.294 99.1 97.5-112.7 4.6 8.9 26.3 22.5 16 18 A Q H <> S+ 0 0 59 -3,-1.2 4,-1.9 1,-0.2 -2,-0.1 0.838 86.6 46.4 -75.8 -34.9 10.7 29.4 21.1 17 19 A K H X S+ 0 0 122 -4,-0.7 4,-2.5 2,-0.2 5,-0.3 0.870 110.8 55.7 -71.3 -35.3 8.6 29.7 18.0 18 20 A D H > S+ 0 0 1 2,-0.2 4,-2.4 -4,-0.2 -2,-0.2 0.929 107.7 48.5 -60.9 -47.9 5.5 29.2 20.2 19 21 A R H X S+ 0 0 71 -4,-2.4 4,-3.4 1,-0.2 5,-0.2 0.979 112.9 47.0 -53.5 -56.3 6.6 32.2 22.4 20 22 A D H X S+ 0 0 71 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.842 116.1 41.8 -63.5 -38.9 7.3 34.5 19.5 21 23 A I H X S+ 0 0 19 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.926 117.2 49.5 -72.4 -42.8 4.0 33.8 17.5 22 24 A F H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.891 113.5 45.6 -58.7 -47.1 2.0 33.9 20.8 23 25 A V H X S+ 0 0 26 -4,-3.4 4,-2.4 -5,-0.2 5,-0.3 0.960 115.4 45.1 -63.1 -51.6 3.6 37.1 21.9 24 26 A K H X S+ 0 0 151 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.825 117.0 46.0 -68.3 -29.8 3.2 38.9 18.5 25 27 A K H X S+ 0 0 56 -4,-2.5 4,-0.8 -5,-0.2 -1,-0.2 0.875 112.3 49.0 -78.3 -36.8 -0.3 37.6 18.1 26 28 A A H >< S+ 0 0 0 -4,-2.4 3,-1.1 2,-0.2 5,-0.5 0.963 112.0 48.8 -67.6 -54.2 -1.5 38.5 21.7 27 29 A E H >< S+ 0 0 104 -4,-2.4 3,-2.2 1,-0.3 -1,-0.2 0.874 106.6 56.5 -42.0 -51.1 -0.0 42.1 21.5 28 30 A S H 3< S+ 0 0 87 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.747 104.9 53.8 -59.4 -24.1 -1.8 42.5 18.1 29 31 A L T << S- 0 0 79 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.441 131.4 -97.5 -88.8 1.1 -5.0 41.7 20.0 30 32 A G S < S+ 0 0 57 -3,-2.2 2,-0.3 1,-0.3 -3,-0.2 0.912 81.4 126.4 84.3 51.2 -4.2 44.4 22.5 31 33 A A - 0 0 11 -5,-0.5 2,-0.4 -8,-0.2 -1,-0.3 -0.978 54.4-129.6-138.8 149.5 -2.6 42.5 25.3 32 34 A K E -a 2 0A 163 -31,-2.2 -29,-3.1 -2,-0.3 2,-0.5 -0.811 24.3-155.8 -98.2 136.8 0.7 42.8 27.2 33 35 A V E -a 3 0A 24 -2,-0.4 2,-0.5 -31,-0.2 -29,-0.2 -0.960 12.2-172.1-123.3 124.5 2.7 39.6 27.5 34 36 A F E -a 4 0A 57 -31,-2.8 -29,-3.1 -2,-0.5 2,-0.4 -0.955 15.7-168.1-111.6 127.3 5.3 38.8 30.2 35 37 A V E +a 5 0A 38 -2,-0.5 2,-0.3 -31,-0.2 -29,-0.2 -0.944 12.8 172.8-122.4 133.8 7.2 35.6 29.5 36 38 A Q E -a 6 0A 52 -31,-2.3 -29,-2.2 -2,-0.4 2,-0.4 -0.952 18.4-146.6-133.1 158.2 9.5 33.6 31.8 37 39 A S E -a 7 0A 16 -2,-0.3 -29,-0.2 -31,-0.2 -28,-0.2 -0.958 9.8-145.3-125.3 139.6 11.1 30.2 31.2 38 40 A A > - 0 0 0 -31,-1.9 3,-2.5 -2,-0.4 6,-0.3 0.314 33.6-127.7 -88.3 6.4 11.8 27.7 34.0 39 41 A N T 3 S- 0 0 101 1,-0.3 -30,-0.2 -32,-0.2 5,-0.1 0.938 71.6 -54.4 41.1 61.4 15.0 26.5 32.4 40 42 A G T 3 S+ 0 0 7 -32,-1.0 2,-0.4 1,-0.1 -1,-0.3 0.342 111.2 125.9 61.4 -2.6 13.8 22.9 32.6 41 43 A N <> - 0 0 69 -3,-2.5 4,-1.4 -33,-0.3 -1,-0.1 -0.715 52.8-155.8 -97.0 131.7 13.1 23.2 36.4 42 44 A E H > S+ 0 0 68 -2,-0.4 4,-1.4 2,-0.2 -1,-0.1 0.753 97.1 48.8 -70.7 -26.0 9.8 22.4 38.1 43 45 A E H > S+ 0 0 139 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.819 106.5 55.1 -88.6 -34.5 10.5 24.8 41.1 44 46 A T H > S+ 0 0 48 -6,-0.3 4,-3.1 2,-0.2 5,-0.2 0.920 108.1 51.6 -55.4 -44.4 11.6 27.7 38.9 45 47 A Q H X S+ 0 0 2 -4,-1.4 4,-2.8 1,-0.2 5,-0.2 0.911 106.0 52.6 -63.3 -43.9 8.1 27.3 37.2 46 48 A M H X S+ 0 0 68 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.871 114.4 44.9 -54.9 -38.2 6.2 27.4 40.5 47 49 A S H X S+ 0 0 75 -4,-1.5 4,-3.3 2,-0.2 -2,-0.2 0.908 111.8 48.8 -77.5 -49.0 8.1 30.6 41.3 48 50 A Q H X S+ 0 0 20 -4,-3.1 4,-2.5 2,-0.2 -2,-0.2 0.864 113.2 49.3 -59.7 -37.2 7.7 32.3 37.9 49 51 A I H X S+ 0 0 1 -4,-2.8 4,-2.7 -5,-0.2 -2,-0.2 0.942 112.4 47.0 -64.6 -48.5 4.0 31.4 38.1 50 52 A E H X S+ 0 0 64 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.909 110.2 54.4 -55.0 -42.2 3.8 32.9 41.6 51 53 A N H X S+ 0 0 59 -4,-3.3 4,-1.1 1,-0.2 -2,-0.2 0.953 109.4 47.2 -58.3 -48.3 5.7 35.9 40.2 52 54 A M H X>S+ 0 0 0 -4,-2.5 5,-1.8 2,-0.2 4,-0.8 0.898 110.0 51.4 -58.7 -44.3 3.0 36.3 37.5 53 55 A I H ><5S+ 0 0 4 -4,-2.7 3,-0.7 1,-0.2 -1,-0.2 0.909 111.6 49.0 -58.6 -41.1 0.2 36.0 40.1 54 56 A N H 3<5S+ 0 0 106 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.615 104.2 59.0 -79.9 -11.2 2.0 38.7 42.1 55 57 A R H 3<5S- 0 0 126 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.638 116.3-113.0 -84.2 -14.8 2.4 41.0 39.0 56 58 A G T <<5 + 0 0 38 -4,-0.8 -54,-0.2 -3,-0.7 -3,-0.2 0.771 49.5 174.9 88.2 27.8 -1.4 41.0 38.6 57 59 A V < - 0 0 6 -5,-1.8 -54,-0.2 1,-0.1 -1,-0.2 -0.366 25.7-151.7 -58.6 146.5 -1.7 39.1 35.3 58 60 A D S S+ 0 0 66 -56,-2.1 25,-2.8 1,-0.3 2,-0.4 0.726 80.5 31.5 -87.3 -32.4 -5.3 38.4 34.2 59 61 A V E -bc 3 83A 0 -57,-2.0 -55,-2.8 23,-0.2 2,-0.5 -0.998 66.2-155.4-134.7 131.9 -4.4 35.2 32.3 60 62 A L E -bc 4 84A 0 23,-3.5 25,-3.2 -2,-0.4 2,-0.6 -0.916 4.4-165.1-101.3 130.6 -1.7 32.6 32.9 61 63 A V E -bc 5 85A 0 -57,-3.5 -55,-2.3 -2,-0.5 2,-0.5 -0.954 15.8-171.3-115.3 114.9 -0.5 30.5 30.0 62 64 A I E -bc 6 86A 1 23,-2.7 25,-2.4 -2,-0.6 27,-0.3 -0.906 25.8-170.8-116.8 123.6 1.4 27.6 31.2 63 65 A I E -b 7 0A 0 -57,-2.4 -55,-1.2 -2,-0.5 2,-0.1 -0.875 36.7-143.3 -97.9 97.5 3.5 25.0 29.3 64 66 A P - 0 0 2 0, 0.0 3,-0.3 0, 0.0 -22,-0.1 -0.385 27.8-168.8 -77.0 140.5 4.1 22.6 32.2 65 67 A Y S S+ 0 0 100 1,-0.3 2,-0.3 -2,-0.1 -23,-0.1 0.838 98.6 14.8 -83.8 -40.7 7.4 20.7 32.7 66 68 A N S > S- 0 0 52 -24,-0.1 3,-1.1 -25,-0.1 -1,-0.3 -0.784 72.2-178.8-133.4 94.6 5.6 18.6 35.4 67 69 A G T 3 S+ 0 0 6 -3,-0.3 25,-3.4 -2,-0.3 3,-0.2 0.075 70.7 75.4 -82.9 23.8 1.8 19.0 35.1 68 70 A Q T 3 S+ 0 0 111 23,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.360 98.2 44.9-106.6 0.1 0.9 16.7 38.0 69 71 A V S < S+ 0 0 77 -3,-1.1 4,-0.1 1,-0.1 -1,-0.1 -0.152 80.3 87.3-147.1 40.0 2.0 19.2 40.6 70 72 A L > + 0 0 5 22,-0.4 4,-2.0 -3,-0.2 5,-0.2 0.145 55.0 110.5-120.1 16.1 0.7 22.7 39.9 71 73 A S H > S+ 0 0 32 1,-0.2 4,-2.1 2,-0.2 24,-0.4 0.879 79.3 43.2 -58.8 -46.9 -2.7 22.2 41.7 72 74 A N H > S+ 0 0 135 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.927 112.9 52.0 -68.7 -43.6 -2.1 24.6 44.6 73 75 A V H > S+ 0 0 9 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.874 112.2 46.5 -65.6 -33.1 -0.5 27.3 42.4 74 76 A V H X S+ 0 0 1 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.901 111.2 51.2 -69.2 -46.4 -3.5 27.2 40.0 75 77 A K H X S+ 0 0 118 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.921 109.8 51.3 -56.0 -46.2 -6.0 27.3 43.0 76 78 A E H X S+ 0 0 54 -4,-2.9 4,-0.6 1,-0.2 -2,-0.2 0.904 110.8 48.2 -58.7 -44.2 -4.1 30.3 44.3 77 79 A A H ><>S+ 0 0 0 -4,-1.9 5,-2.3 2,-0.2 3,-1.0 0.899 110.3 50.5 -61.6 -44.0 -4.4 32.0 40.9 78 80 A K H ><5S+ 0 0 53 -4,-2.8 3,-2.2 1,-0.3 -2,-0.2 0.918 101.8 62.2 -65.9 -39.0 -8.1 31.2 40.7 79 81 A Q H 3<5S+ 0 0 142 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.753 105.7 48.6 -51.9 -25.0 -8.6 32.7 44.2 80 82 A E T <<5S- 0 0 118 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.275 122.6-105.1 -98.4 5.9 -7.3 36.0 42.6 81 83 A G T < 5S+ 0 0 55 -3,-2.2 2,-0.4 1,-0.2 -3,-0.2 0.643 71.7 147.4 77.1 13.1 -9.6 35.9 39.7 82 84 A I < - 0 0 7 -5,-2.3 2,-0.3 -6,-0.1 -1,-0.2 -0.650 43.4-132.3 -83.0 133.9 -6.8 34.9 37.3 83 85 A K E -c 59 0A 52 -25,-2.8 -23,-3.5 -2,-0.4 2,-0.5 -0.654 16.4-149.3 -83.5 138.4 -7.6 32.6 34.3 84 86 A V E -c 60 0A 0 -2,-0.3 13,-2.2 11,-0.2 14,-1.3 -0.926 11.5-172.8-112.2 126.9 -5.3 29.6 33.6 85 87 A L E -cd 61 98A 0 -25,-3.2 -23,-2.7 -2,-0.5 2,-0.7 -0.983 16.2-145.9-117.6 123.3 -4.7 28.1 30.1 86 88 A A E -cd 62 99A 0 12,-2.9 14,-2.2 -2,-0.5 2,-0.6 -0.802 18.3-148.3 -84.5 113.8 -2.7 24.9 29.8 87 89 A Y E - d 0 100A 0 -25,-2.4 2,-2.3 -2,-0.7 14,-0.2 -0.785 62.1 -37.1 -91.2 116.9 -0.7 25.2 26.6 88 90 A D S S+ 0 0 38 12,-3.5 2,-0.5 -2,-0.6 14,-0.1 -0.180 126.9 64.5 68.6 -46.2 -0.0 22.0 24.7 89 91 A R S S- 0 0 72 -2,-2.3 11,-0.1 -27,-0.3 -27,-0.1 -0.941 89.5-116.4-110.9 132.2 0.4 19.7 27.7 90 92 A M - 0 0 30 -2,-0.5 2,-0.6 -27,-0.1 -23,-0.2 -0.285 16.9-136.4 -62.2 144.7 -2.5 19.1 30.1 91 93 A I > - 0 0 0 3,-0.1 3,-0.5 -23,-0.1 5,-0.2 -0.948 29.0-141.2-104.3 124.2 -2.3 20.3 33.7 92 94 A N T 3 - 0 0 37 -25,-3.4 -22,-0.4 -2,-0.6 179,-0.2 -0.479 65.7 -0.1 -95.8 152.3 -3.7 17.6 35.9 93 95 A D T 3 S+ 0 0 77 177,-2.7 2,-0.3 1,-0.2 -1,-0.2 0.757 101.6 120.5 43.0 37.5 -5.9 17.7 39.0 94 96 A A S < S- 0 0 1 -3,-0.5 2,-1.1 179,-0.1 -1,-0.2 -0.896 75.1-116.3-126.7 155.8 -5.8 21.5 38.8 95 97 A D + 0 0 74 -24,-0.4 -11,-0.2 -2,-0.3 -3,-0.1 -0.336 55.5 157.2 -92.7 55.8 -8.6 24.0 38.4 96 98 A I - 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