==== 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 23-MAR-10 3MA0 . COMPND 2 MOLECULE: D-XYLOSE-BINDING PERIPLASMIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.SOORIYAARACHCHI,W.UBHAYASEKERA,S.L.MOWBRAY . 925 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36093.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 732 79.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 129 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 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 . 3 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 . 78 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 322 34.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 33 3.6 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 1 1 0 0 1 6 0 0 2 4 4 2 6 0 0 3 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 3 12 0 3 3 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 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 3 0 0 3 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 K 0 0 218 0, 0.0 2,-0.7 0, 0.0 258,-0.0 0.000 360.0 360.0 360.0 109.4 93.4 -39.5 26.0 2 2 A E - 0 0 120 31,-0.1 2,-0.4 257,-0.0 31,-0.2 -0.764 360.0-154.2 -80.2 114.3 90.5 -37.5 24.7 3 3 A V - 0 0 5 -2,-0.7 31,-2.4 29,-0.1 2,-0.5 -0.756 4.7-144.2 -85.8 133.5 88.2 -39.9 22.9 4 4 A K E -a 34 0A 72 -2,-0.4 56,-2.2 29,-0.2 57,-1.5 -0.900 17.9-164.9 -98.5 134.6 86.0 -38.4 20.2 5 5 A I E -ab 35 61A 0 29,-3.1 31,-2.6 -2,-0.5 2,-0.5 -0.970 12.6-160.0-125.0 128.5 82.5 -39.9 19.9 6 6 A G E -ab 36 62A 0 55,-2.6 57,-3.0 -2,-0.4 2,-0.6 -0.951 10.3-163.7-104.1 123.4 80.0 -39.6 17.1 7 7 A M E -ab 37 63A 0 29,-3.2 31,-2.6 -2,-0.5 2,-0.7 -0.933 4.9-172.3-112.1 112.8 76.5 -40.4 18.2 8 8 A A E -ab 38 64A 0 55,-2.5 57,-2.7 -2,-0.6 2,-0.2 -0.907 11.9-177.8-114.0 108.6 74.1 -41.0 15.3 9 9 A I E -a 39 0A 2 29,-2.8 31,-2.4 -2,-0.7 33,-0.2 -0.605 32.9-129.4-110.7 165.8 70.5 -41.4 16.3 10 10 A D S S- 0 0 8 1,-0.3 32,-1.8 -2,-0.2 31,-0.9 0.993 73.4 -48.9 -78.1 -71.8 67.2 -42.1 14.5 11 11 A D - 0 0 12 30,-0.2 -1,-0.3 29,-0.2 3,-0.1 -0.917 33.1-120.8-150.7-175.2 65.1 -39.3 15.9 12 12 A L S S+ 0 0 6 -2,-0.3 6,-0.2 1,-0.1 572,-0.1 0.078 78.5 105.3-115.2 21.1 63.9 -37.4 19.0 13 13 A R + 0 0 144 4,-0.1 2,-0.4 3,-0.0 -1,-0.1 0.823 64.6 71.4 -74.4 -36.4 60.1 -38.1 18.5 14 14 A L S >> S- 0 0 11 1,-0.1 3,-1.5 -3,-0.1 4,-0.6 -0.708 90.0-124.1 -83.0 138.3 59.8 -40.7 21.3 15 15 A E H >> S+ 0 0 71 -2,-0.4 4,-0.6 1,-0.3 3,-0.5 0.814 105.1 60.8 -51.1 -35.6 60.1 -39.2 24.7 16 16 A R H >> S+ 0 0 5 1,-0.2 4,-2.2 2,-0.2 3,-1.0 0.845 88.7 70.5 -63.0 -31.6 63.0 -41.5 25.7 17 17 A W H <> S+ 0 0 7 -3,-1.5 4,-2.5 1,-0.3 -1,-0.2 0.825 92.4 54.9 -67.7 -33.4 65.5 -40.4 23.0 18 18 A Q H S+ 0 0 0 -4,-2.9 5,-2.5 -5,-0.2 -2,-0.2 0.913 113.1 45.8 -57.2 -44.4 80.9 -39.3 28.1 29 29 A E H ><5S+ 0 0 114 -4,-2.9 3,-1.9 1,-0.2 -2,-0.2 0.906 108.7 55.0 -66.3 -40.3 82.0 -35.7 28.8 30 30 A S H 3<5S+ 0 0 93 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.843 105.0 55.4 -57.8 -32.9 82.4 -36.5 32.5 31 31 A L T 3<5S- 0 0 60 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.354 128.3-101.0 -83.0 5.7 84.7 -39.3 31.3 32 32 A G T < 5S+ 0 0 42 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.479 79.5 133.0 95.5 3.8 86.8 -36.8 29.4 33 33 A A < - 0 0 8 -5,-2.5 2,-0.4 -6,-0.2 -1,-0.3 -0.356 52.4-132.5 -89.4 167.8 85.4 -37.4 25.9 34 34 A K E -a 4 0A 90 -31,-2.4 -29,-3.1 -2,-0.1 2,-0.4 -0.984 26.9-162.6-118.3 129.4 84.1 -35.1 23.2 35 35 A V E -a 5 0A 10 -2,-0.4 2,-0.5 -31,-0.2 -29,-0.2 -0.943 15.4-168.1-126.4 136.1 80.7 -36.0 21.7 36 36 A F E -a 6 0A 7 -31,-2.6 -29,-3.2 -2,-0.4 2,-0.4 -0.988 14.7-162.6-121.3 122.8 78.9 -34.9 18.5 37 37 A V E +a 7 0A 1 543,-2.4 2,-0.4 -2,-0.5 -29,-0.2 -0.897 10.7 175.7-112.4 132.8 75.3 -35.9 18.2 38 38 A Q E -a 8 0A 25 -31,-2.6 -29,-2.8 -2,-0.4 2,-0.5 -0.987 18.1-145.0-133.1 144.4 73.2 -35.9 15.0 39 39 A S E -a 9 0A 3 -2,-0.4 -29,-0.2 -31,-0.2 -28,-0.1 -0.939 4.0-156.0-108.9 135.7 69.6 -37.0 14.3 40 40 A A - 0 0 1 -31,-2.4 3,-0.5 -2,-0.5 6,-0.2 0.538 31.0-131.2 -76.2 -13.5 68.6 -38.7 11.0 41 41 A N S S- 0 0 63 -31,-0.9 -30,-0.2 1,-0.2 -31,-0.1 0.872 70.9 -61.7 50.0 37.3 64.9 -37.6 11.3 42 42 A G S S+ 0 0 21 -32,-1.8 2,-0.5 1,-0.2 -1,-0.2 0.848 106.9 129.7 63.3 37.3 64.2 -41.3 10.5 43 43 A N > - 0 0 76 -3,-0.5 4,-2.4 -33,-0.3 -1,-0.2 -0.987 50.0-153.9-126.3 120.5 65.9 -41.2 7.1 44 44 A E H > S+ 0 0 67 -2,-0.5 4,-2.4 1,-0.2 -1,-0.1 0.844 95.8 50.4 -65.8 -33.1 68.4 -43.9 6.3 45 45 A E H > S+ 0 0 117 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.882 109.6 50.3 -73.8 -39.3 70.3 -41.8 3.8 46 46 A T H > S+ 0 0 53 -6,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.936 111.5 50.8 -58.3 -43.3 70.6 -38.9 6.2 47 47 A Q H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.928 109.5 48.7 -62.4 -46.2 71.9 -41.4 8.8 48 48 A M H X S+ 0 0 31 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.946 112.8 48.5 -56.1 -48.6 74.5 -42.8 6.4 49 49 A S H X S+ 0 0 38 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.905 111.1 49.9 -58.4 -45.8 75.7 -39.2 5.5 50 50 A Q H X S+ 0 0 23 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.913 111.4 48.1 -62.6 -42.5 75.9 -38.2 9.2 51 51 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.933 111.4 50.5 -61.2 -45.2 78.0 -41.3 10.0 52 52 A E H X S+ 0 0 62 -4,-2.6 4,-2.5 1,-0.3 -2,-0.2 0.892 109.4 52.0 -62.7 -38.9 80.3 -40.6 7.1 53 53 A N H X S+ 0 0 37 -4,-2.6 4,-1.7 1,-0.2 -1,-0.3 0.870 108.4 50.5 -61.4 -39.5 80.7 -37.1 8.2 54 54 A M H <>S+ 0 0 5 -4,-2.0 5,-1.8 2,-0.2 -2,-0.2 0.894 109.3 51.2 -66.1 -39.9 81.6 -38.3 11.7 55 55 A I H ><5S+ 0 0 17 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.948 110.8 48.6 -61.0 -48.9 84.2 -40.7 10.1 56 56 A N H 3<5S+ 0 0 133 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.776 105.0 57.9 -61.2 -32.3 85.7 -37.8 8.1 57 57 A R T 3<5S- 0 0 74 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.435 119.8-113.2 -76.6 -2.8 85.9 -35.5 11.2 58 58 A G T < 5 + 0 0 40 -3,-1.7 -3,-0.2 -4,-0.2 -54,-0.2 0.826 47.5 176.4 76.5 34.9 88.1 -38.3 12.8 59 59 A V < - 0 0 3 -5,-1.8 -54,-0.2 1,-0.1 -1,-0.1 -0.347 26.4-146.3 -60.7 151.3 85.9 -39.7 15.7 60 60 A D S S+ 0 0 63 -56,-2.2 25,-2.4 1,-0.3 2,-0.4 0.713 81.2 25.8 -87.7 -26.5 87.4 -42.7 17.5 61 61 A V E -bc 5 85A 0 -57,-1.5 -55,-2.6 23,-0.2 2,-0.4 -0.999 64.1-150.9-143.3 136.8 84.0 -44.3 18.2 62 62 A L E -bc 6 86A 0 23,-2.9 25,-2.9 -2,-0.4 2,-0.5 -0.931 7.5-167.0-104.3 136.7 80.6 -44.3 16.6 63 63 A V E -bc 7 87A 0 -57,-3.0 -55,-2.5 -2,-0.4 2,-0.4 -0.982 18.5-172.6-123.1 113.0 77.6 -44.9 18.7 64 64 A I E -bc 8 88A 0 23,-2.5 25,-2.9 -2,-0.5 27,-0.3 -0.927 30.1-170.2-120.8 126.8 74.6 -45.6 16.5 65 65 A I - 0 0 2 -57,-2.7 25,-0.1 -2,-0.4 2,-0.1 -0.927 37.7-141.2-101.7 100.2 70.8 -45.9 17.1 66 66 A P - 0 0 2 0, 0.0 3,-0.3 0, 0.0 -56,-0.2 -0.368 21.7-162.1 -68.3 138.4 69.9 -47.2 13.6 67 67 A Y S S+ 0 0 43 1,-0.3 2,-0.5 -58,-0.1 67,-0.1 0.926 97.0 19.5 -70.4 -54.4 66.7 -46.0 12.0 68 68 A N S > S- 0 0 15 1,-0.1 3,-1.0 67,-0.1 -1,-0.3 -0.965 74.5-162.9-117.6 113.4 67.0 -49.0 9.6 69 69 A G T 3 S+ 0 0 3 65,-2.0 25,-2.2 -2,-0.5 3,-0.2 0.472 81.0 60.4 -78.0 -0.7 69.3 -51.7 11.0 70 70 A Q T 3 S+ 0 0 91 64,-0.2 3,-0.2 23,-0.2 -1,-0.2 0.474 94.8 57.0-104.6 -5.4 69.8 -53.5 7.6 71 71 A V S < S+ 0 0 51 -3,-1.0 4,-0.2 1,-0.1 3,-0.2 0.134 82.6 82.5-116.1 21.2 71.4 -50.8 5.4 72 72 A L > + 0 0 0 22,-0.3 4,-1.9 -3,-0.2 5,-0.2 0.259 53.7 103.9-112.7 9.5 74.5 -49.8 7.4 73 73 A S H > S+ 0 0 40 -3,-0.2 4,-2.1 1,-0.2 24,-0.3 0.874 83.8 45.6 -62.2 -44.4 76.9 -52.5 6.4 74 74 A N H > S+ 0 0 109 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.934 111.5 49.8 -68.8 -45.9 78.9 -50.4 4.1 75 75 A V H > S+ 0 0 3 1,-0.2 4,-1.6 -4,-0.2 -1,-0.2 0.854 110.7 52.2 -64.2 -28.7 79.2 -47.4 6.3 76 76 A V H X S+ 0 0 1 -4,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.918 107.1 52.1 -72.4 -40.9 80.4 -49.7 9.1 77 77 A K H X S+ 0 0 125 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.908 106.8 53.8 -58.6 -41.3 83.0 -51.1 6.8 78 78 A E H X S+ 0 0 57 -4,-2.5 4,-0.6 2,-0.2 -1,-0.2 0.882 111.0 46.9 -57.1 -39.3 84.1 -47.4 6.1 79 79 A A H ><>S+ 0 0 0 -4,-1.6 5,-2.3 -5,-0.2 3,-1.0 0.953 110.9 50.4 -68.2 -49.2 84.5 -47.0 9.9 80 80 A K H ><5S+ 0 0 40 -4,-2.9 3,-2.4 1,-0.3 -2,-0.2 0.876 102.7 57.7 -59.6 -44.2 86.4 -50.2 10.5 81 81 A Q H 3<5S+ 0 0 128 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.713 108.0 50.7 -63.8 -17.5 89.1 -49.6 7.7 82 82 A E T <<5S- 0 0 130 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.365 121.2-110.5 -93.7 3.1 89.9 -46.4 9.6 83 83 A G T < 5 + 0 0 57 -3,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.776 66.9 151.2 74.5 24.7 90.2 -48.2 12.9 84 84 A I < - 0 0 8 -5,-2.3 -1,-0.3 -8,-0.1 2,-0.2 -0.728 41.2-131.4 -90.0 137.3 87.0 -46.6 14.3 85 85 A K E -c 61 0A 64 -25,-2.4 -23,-2.9 -2,-0.3 2,-0.5 -0.628 17.0-148.4 -89.8 150.8 85.0 -48.7 16.9 86 86 A V E -c 62 0A 0 -2,-0.2 13,-2.3 -25,-0.2 14,-1.4 -0.966 12.6-173.6-129.4 121.4 81.3 -49.1 16.5 87 87 A L E -cd 63 100A 0 -25,-2.9 -23,-2.5 -2,-0.5 2,-0.6 -0.947 18.1-144.2-111.7 125.3 78.7 -49.5 19.3 88 88 A A E -cd 64 101A 0 12,-2.7 14,-2.2 -2,-0.5 2,-0.5 -0.813 20.3-149.9 -87.7 120.7 75.1 -50.3 18.4 89 89 A Y E - d 0 102A 0 -25,-2.9 2,-2.1 -2,-0.6 14,-0.2 -0.847 62.2 -33.3-103.8 121.1 72.9 -48.5 20.9 90 90 A D S S+ 0 0 4 12,-2.7 2,-0.4 -2,-0.5 14,-0.2 -0.135 128.6 60.4 68.8 -42.9 69.5 -50.0 21.8 91 91 A R S S- 0 0 7 -2,-2.1 11,-0.1 -27,-0.3 -2,-0.1 -0.961 87.0-116.3-123.2 132.3 68.9 -51.5 18.4 92 92 A M - 0 0 7 -2,-0.4 2,-0.6 -27,-0.1 44,-0.4 -0.350 16.1-142.6 -64.2 142.3 71.1 -54.1 16.6 93 93 A I - 0 0 0 3,-0.1 3,-0.5 -23,-0.1 5,-0.2 -0.968 29.1-142.6-103.3 116.1 72.8 -53.2 13.4 94 94 A N + 0 0 17 -25,-2.2 -22,-0.3 -2,-0.6 179,-0.2 -0.334 66.4 8.9 -83.6 154.9 72.6 -56.3 11.3 95 95 A D S S+ 0 0 83 177,-3.1 2,-0.3 1,-0.2 -1,-0.2 0.837 99.9 121.6 54.3 40.8 75.1 -57.9 8.8 96 96 A A S S- 0 0 2 -3,-0.5 2,-2.0 179,-0.1 178,-0.2 -0.986 74.0-118.3-141.9 144.4 77.8 -55.4 9.9 97 97 A D + 0 0 72 -2,-0.3 -11,-0.1 -24,-0.3 2,-0.1 -0.365 56.2 156.7 -82.0 59.3 81.2 -55.6 11.4 98 98 A I - 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