==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 11-OCT-06 2IOY . COMPND 2 MOLECULE: PERIPLASMIC SUGAR-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOANAEROBACTER TENGCONGENSIS; . AUTHOR M.J.CUNEO,H.W.HELLINGA . 548 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23137.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 427 77.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 96 17.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.8 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 . 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 . 39 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 207 37.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.6 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 1 2 1 0 0 4 4 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 6 8 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 PARALLEL BRIDGES PER LADDER . 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 4 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 2 A K 0 0 131 0, 0.0 31,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 147.4 -1.1 -19.2 35.7 2 3 A T E -a 32 0A 28 54,-0.2 56,-2.6 29,-0.2 57,-1.1 -0.984 360.0-149.5-142.7 134.3 -1.2 -18.4 32.0 3 4 A I E -ab 33 59A 0 29,-2.5 31,-2.7 -2,-0.4 2,-0.5 -0.867 11.3-146.6-106.5 137.7 1.3 -17.8 29.2 4 5 A G E -ab 34 60A 0 55,-2.7 57,-3.4 -2,-0.4 2,-0.6 -0.913 11.9-165.8-103.9 124.7 0.6 -15.6 26.2 5 6 A L E -ab 35 61A 0 29,-3.0 31,-3.0 -2,-0.5 2,-0.6 -0.949 3.2-171.5-113.8 114.1 2.2 -16.7 22.9 6 7 A V E -ab 36 62A 0 55,-3.0 57,-3.1 -2,-0.6 2,-0.3 -0.927 10.2-171.8-109.6 114.5 2.3 -14.1 20.1 7 8 A I E -a 37 0A 0 29,-2.3 31,-2.9 -2,-0.6 32,-0.4 -0.833 28.7-130.2-114.5 138.7 3.4 -15.6 16.8 8 9 A S S S- 0 0 0 -2,-0.3 32,-3.7 1,-0.2 33,-0.3 0.891 85.9 -17.4 -58.1 -46.0 4.2 -13.8 13.6 9 10 A T - 0 0 15 30,-0.2 3,-0.3 29,-0.2 -1,-0.2 -0.958 40.5-156.2-156.3 145.9 2.0 -16.0 11.4 10 11 A L S S+ 0 0 51 -2,-0.3 -2,-0.0 -3,-0.2 6,-0.0 0.174 85.0 85.9-103.1 16.3 0.4 -19.4 11.6 11 12 A N S S+ 0 0 112 4,-0.0 -1,-0.1 5,-0.0 3,-0.0 0.389 78.5 77.4 -88.9 -2.5 0.3 -19.7 7.8 12 13 A N S >> S- 0 0 8 -3,-0.3 4,-1.6 1,-0.1 3,-0.8 -0.951 77.1-143.7-110.4 123.3 3.9 -21.1 8.0 13 14 A P H 3> S+ 0 0 47 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.788 99.1 65.3 -55.0 -30.4 4.3 -24.7 9.1 14 15 A F H 3> S+ 0 0 4 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.925 105.3 42.7 -55.6 -46.3 7.5 -23.7 10.9 15 16 A F H <> S+ 0 0 4 -3,-0.8 4,-2.6 2,-0.2 -1,-0.2 0.813 106.8 59.8 -78.7 -27.3 5.4 -21.6 13.3 16 17 A V H X S+ 0 0 51 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.946 108.4 47.0 -59.8 -43.8 2.7 -24.2 13.7 17 18 A T H X S+ 0 0 60 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.898 110.3 51.3 -63.9 -42.2 5.4 -26.5 15.0 18 19 A L H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.934 109.3 51.8 -59.0 -47.2 6.8 -23.9 17.4 19 20 A K H X S+ 0 0 42 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.906 109.6 49.2 -53.1 -46.6 3.2 -23.3 18.7 20 21 A N H X S+ 0 0 56 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.834 107.1 55.3 -68.3 -33.6 2.8 -27.0 19.3 21 22 A G H X S+ 0 0 2 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.931 110.2 45.8 -60.5 -47.4 6.1 -27.2 21.2 22 23 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.874 112.3 51.1 -62.4 -42.1 5.0 -24.4 23.5 23 24 A E H X S+ 0 0 60 -4,-2.1 4,-2.1 2,-0.2 5,-0.2 0.943 108.8 50.5 -64.8 -48.3 1.6 -26.0 24.1 24 25 A E H X S+ 0 0 126 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.884 114.1 43.9 -56.4 -43.8 3.1 -29.4 25.0 25 26 A K H X S+ 0 0 32 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.819 108.8 57.7 -73.7 -31.4 5.5 -28.0 27.5 26 27 A A H X>S+ 0 0 0 -4,-2.0 5,-3.7 2,-0.2 4,-0.6 0.906 108.5 46.2 -65.2 -43.0 2.8 -25.7 29.0 27 28 A K H ><5S+ 0 0 176 -4,-2.1 3,-1.0 3,-0.2 -2,-0.2 0.937 110.8 54.1 -59.9 -48.9 0.6 -28.7 29.8 28 29 A E H 3<5S+ 0 0 135 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.832 114.5 39.3 -53.5 -40.4 3.6 -30.5 31.2 29 30 A L H 3<5S- 0 0 60 -4,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.438 120.0-109.0 -95.3 -1.4 4.4 -27.7 33.6 30 31 A G T <<5 + 0 0 64 -3,-1.0 2,-0.3 -4,-0.6 -3,-0.2 0.706 69.2 141.6 86.4 23.8 0.7 -27.0 34.3 31 32 A Y < - 0 0 27 -5,-3.7 -1,-0.3 -6,-0.2 2,-0.2 -0.747 47.5-135.0 -98.8 142.5 0.3 -23.7 32.5 32 33 A K E -a 2 0A 155 -31,-2.1 -29,-2.5 -2,-0.3 2,-0.4 -0.602 27.0-156.5 -78.8 155.6 -2.6 -22.5 30.4 33 34 A I E -a 3 0A 38 -2,-0.2 2,-0.5 -31,-0.2 -29,-0.2 -0.996 16.0-161.7-141.5 134.5 -1.6 -20.9 27.1 34 35 A I E -a 4 0A 41 -31,-2.7 -29,-3.0 -2,-0.4 2,-0.5 -0.968 14.9-163.2-114.5 116.0 -3.3 -18.4 24.8 35 36 A V E -a 5 0A 37 -2,-0.5 2,-0.4 -31,-0.2 -29,-0.2 -0.872 6.9-172.8-103.4 129.3 -1.8 -18.4 21.3 36 37 A E E -a 6 0A 27 -31,-3.0 -29,-2.3 -2,-0.5 2,-0.5 -0.980 18.2-135.5-128.2 136.5 -2.5 -15.4 19.0 37 38 A D E -a 7 0A 41 -2,-0.4 -29,-0.2 -31,-0.2 -28,-0.1 -0.772 8.3-167.0 -93.4 120.5 -1.6 -15.0 15.3 38 39 A S > - 0 0 0 -31,-2.9 3,-2.2 -2,-0.5 6,-0.3 0.567 27.2-140.6 -84.4 -10.4 -0.2 -11.6 14.3 39 40 A Q T 3 - 0 0 114 -32,-0.4 -30,-0.2 1,-0.3 -31,-0.1 0.844 61.0 -68.5 55.4 38.1 -0.7 -12.3 10.5 40 41 A N T 3 S+ 0 0 66 -32,-3.7 2,-0.5 -33,-0.2 -1,-0.3 0.683 110.3 121.1 55.2 24.2 2.6 -10.7 9.7 41 42 A D <> - 0 0 75 -3,-2.2 4,-1.8 -33,-0.3 -1,-0.2 -0.964 58.2-152.3-123.0 119.6 1.1 -7.4 10.7 42 43 A S H > S+ 0 0 38 -2,-0.5 4,-2.0 1,-0.2 5,-0.1 0.803 98.3 56.1 -61.3 -30.3 2.6 -5.3 13.5 43 44 A S H > S+ 0 0 90 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.914 107.2 46.6 -65.8 -45.4 -0.8 -3.8 14.2 44 45 A K H > S+ 0 0 64 -6,-0.3 4,-2.7 1,-0.2 -2,-0.2 0.875 111.3 55.5 -63.6 -34.0 -2.5 -7.2 14.8 45 46 A E H X S+ 0 0 1 -4,-1.8 4,-2.2 -7,-0.3 -2,-0.2 0.906 107.8 46.3 -62.9 -48.8 0.6 -8.0 16.9 46 47 A L H X S+ 0 0 45 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.891 114.1 48.1 -60.9 -43.1 0.1 -5.0 19.2 47 48 A S H X S+ 0 0 57 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.885 110.8 52.1 -68.1 -37.8 -3.7 -5.7 19.5 48 49 A N H X S+ 0 0 6 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.917 111.4 46.7 -57.9 -45.3 -2.9 -9.4 20.3 49 50 A V H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.916 111.6 50.6 -67.2 -43.4 -0.4 -8.2 23.0 50 51 A E H X S+ 0 0 63 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.929 108.8 51.9 -61.6 -43.5 -3.0 -5.8 24.5 51 52 A D H X S+ 0 0 62 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.944 112.1 47.2 -54.7 -46.6 -5.6 -8.5 24.5 52 53 A L H <>S+ 0 0 1 -4,-2.1 5,-2.0 2,-0.2 -2,-0.2 0.870 109.3 51.8 -68.5 -39.5 -3.2 -10.7 26.4 53 54 A I H ><5S+ 0 0 31 -4,-2.8 3,-1.4 1,-0.2 -1,-0.2 0.933 111.1 49.7 -57.0 -45.6 -2.2 -8.0 28.9 54 55 A Q H 3<5S+ 0 0 151 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.786 104.0 56.9 -66.8 -29.5 -5.9 -7.5 29.6 55 56 A Q T 3<5S- 0 0 96 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.472 116.5-120.5 -78.8 -1.1 -6.4 -11.2 30.1 56 57 A K T < 5 - 0 0 174 -3,-1.4 -54,-0.2 -4,-0.2 -3,-0.2 0.888 39.8-171.8 67.6 44.2 -3.8 -10.8 32.8 57 58 A V < - 0 0 4 -5,-2.0 -54,-0.2 1,-0.1 -1,-0.2 -0.393 21.5-140.6 -67.9 147.2 -1.3 -13.3 31.3 58 59 A D S S+ 0 0 53 -56,-2.6 2,-0.3 1,-0.2 -55,-0.2 0.795 80.8 13.4 -84.5 -29.5 1.7 -14.0 33.7 59 60 A V E -b 3 0A 1 -57,-1.1 -55,-2.7 23,-0.2 2,-0.5 -0.996 67.1-140.9-144.6 149.8 4.4 -14.1 30.9 60 61 A L E -bc 4 84A 2 23,-2.9 25,-2.5 -2,-0.3 2,-0.5 -0.943 9.6-169.6-114.3 118.5 4.5 -13.1 27.3 61 62 A L E -bc 5 85A 0 -57,-3.4 -55,-3.0 -2,-0.5 2,-0.4 -0.926 19.3-173.5 -99.1 125.6 6.4 -15.1 24.7 62 63 A I E -bc 6 86A 0 23,-2.6 25,-2.2 -2,-0.5 27,-0.3 -0.975 30.0-164.7-130.9 135.3 6.7 -13.2 21.4 63 64 A N - 0 0 0 -57,-3.1 -55,-0.1 -2,-0.4 25,-0.1 -0.912 40.3-132.3-108.8 95.9 7.9 -13.9 17.9 64 65 A P - 0 0 2 0, 0.0 3,-0.2 0, 0.0 -56,-0.1 -0.173 17.5-155.2 -58.8 140.7 8.2 -10.4 16.5 65 66 A V S S+ 0 0 12 1,-0.3 2,-0.4 -58,-0.1 68,-0.1 0.834 89.1 16.4 -73.7 -38.9 6.8 -9.3 13.1 66 67 A D S > S- 0 0 50 1,-0.1 4,-1.9 -25,-0.1 -1,-0.3 -0.998 70.5-134.3-141.7 137.3 9.4 -6.5 13.0 67 68 A S T 4 S+ 0 0 3 66,-2.0 25,-2.8 -2,-0.4 26,-0.2 0.815 107.4 25.5 -57.2 -40.0 12.6 -5.9 15.0 68 69 A D T >4 S+ 0 0 106 23,-0.2 3,-1.5 2,-0.1 4,-0.3 0.870 117.9 56.6 -91.0 -48.3 11.8 -2.2 15.7 69 70 A A T >4 S+ 0 0 45 1,-0.3 3,-0.8 2,-0.2 4,-0.5 0.767 98.7 62.8 -59.7 -28.9 8.0 -2.1 15.4 70 71 A V T >X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 3,-0.6 0.761 82.0 81.6 -67.2 -24.8 7.6 -4.8 18.1 71 72 A V H <> S+ 0 0 23 -3,-1.5 4,-2.7 1,-0.3 -1,-0.2 0.774 85.2 58.3 -56.6 -32.7 9.3 -2.5 20.8 72 73 A T H <> S+ 0 0 80 -3,-0.8 4,-1.6 -4,-0.3 -1,-0.3 0.948 108.5 44.4 -60.1 -49.4 6.0 -0.6 21.4 73 74 A A H <> S+ 0 0 2 -3,-0.6 4,-1.9 -4,-0.5 -2,-0.2 0.887 114.7 49.4 -64.0 -40.1 4.2 -3.8 22.4 74 75 A I H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.912 109.4 52.0 -63.1 -43.9 7.1 -4.9 24.5 75 76 A K H X S+ 0 0 125 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.747 108.3 50.8 -69.0 -25.1 7.2 -1.5 26.2 76 77 A E H X S+ 0 0 62 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.855 111.7 48.7 -73.1 -39.3 3.5 -1.8 27.0 77 78 A A H <>S+ 0 0 0 -4,-1.9 5,-2.5 2,-0.2 -2,-0.2 0.892 110.6 51.4 -60.8 -43.3 4.2 -5.3 28.5 78 79 A N H ><5S+ 0 0 32 -4,-2.8 3,-2.2 3,-0.2 -2,-0.2 0.935 105.8 54.1 -59.6 -48.6 7.1 -3.8 30.5 79 80 A S H 3<5S+ 0 0 84 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.851 110.0 47.2 -57.7 -38.3 4.9 -1.0 31.9 80 81 A K T 3<5S- 0 0 61 -4,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.256 115.8-118.1 -86.8 11.8 2.4 -3.6 33.2 81 82 A N T < 5 + 0 0 144 -3,-2.2 -3,-0.2 1,-0.2 -2,-0.1 0.811 63.4 147.0 53.9 38.4 5.3 -5.7 34.6 82 83 A I < - 0 0 16 -5,-2.5 -1,-0.2 -6,-0.1 -23,-0.2 -0.926 50.4-121.9-100.2 115.6 4.6 -8.7 32.4 83 84 A P - 0 0 22 0, 0.0 -23,-2.9 0, 0.0 2,-0.5 -0.322 24.5-146.3 -61.6 141.4 8.0 -10.4 31.6 84 85 A V E -c 60 0A 1 11,-0.4 13,-2.1 -25,-0.2 14,-0.7 -0.954 17.1-177.9-119.7 125.4 8.8 -10.8 27.9 85 86 A I E -cd 61 98A 0 -25,-2.5 -23,-2.6 -2,-0.5 2,-0.3 -0.971 17.9-147.0-114.6 131.6 10.7 -13.6 26.2 86 87 A T E -cd 62 99A 2 12,-2.3 14,-2.0 -2,-0.4 2,-0.4 -0.762 12.5-160.3-100.4 145.6 11.4 -13.4 22.5 87 88 A I E - d 0 100A 0 -25,-2.2 2,-1.1 -2,-0.3 14,-0.2 -0.998 61.6 -14.8-134.3 129.7 11.5 -16.5 20.3 88 89 A D S S+ 0 0 4 12,-3.8 2,-0.4 -2,-0.4 14,-0.2 -0.127 126.2 48.1 79.2 -39.1 13.1 -17.1 16.9 89 90 A R S S- 0 0 5 -2,-1.1 -2,-0.2 -27,-0.3 11,-0.1 -0.997 82.0-123.7-135.3 143.0 13.5 -13.4 16.1 90 91 A S - 0 0 35 -2,-0.4 45,-0.3 -27,-0.1 2,-0.3 -0.405 11.3-132.9 -87.8 155.3 15.0 -10.6 18.2 91 92 A A - 0 0 22 -2,-0.1 -23,-0.2 -21,-0.1 -24,-0.1 -0.817 8.4-144.1 -97.7 147.8 13.6 -7.3 19.3 92 93 A N S S+ 0 0 87 -25,-2.8 2,-0.3 -2,-0.3 -24,-0.1 0.156 78.0 6.4 -94.5 15.7 15.7 -4.0 19.0 93 94 A G S S+ 0 0 25 -26,-0.2 -2,-0.1 2,-0.0 -19,-0.0 -0.980 84.2 68.3-179.1 176.6 14.4 -2.5 22.2 94 95 A G S S- 0 0 24 -2,-0.3 2,-0.7 -20,-0.1 -19,-0.1 -0.095 88.0 -58.2 79.6 174.3 12.3 -2.9 25.4 95 96 A D + 0 0 116 -21,-0.2 2,-0.5 -24,-0.1 -11,-0.4 -0.854 56.0 177.2 -96.2 114.4 13.2 -5.2 28.3 96 97 A V - 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