==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CARBOHYDRATE BINDING PROTEIN 26-FEB-09 3GF8 . COMPND 2 MOLECULE: PUTATIVE POLYSACCHARIDE BINDING PROTEINS (DUF1812 . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON VPI-5482; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 284 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13320.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 86 30.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 38 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 5.3 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+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 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 RESIDUES PER ALPHA HELIX . 0 1 0 0 0 1 0 1 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 . 2 0 6 1 3 2 1 1 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 1 1 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 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 34 A E 0 0 233 0, 0.0 2,-0.1 0, 0.0 123,-0.1 0.000 360.0 360.0 360.0 -17.9 38.2 21.6 2.1 2 35 A C - 0 0 37 121,-0.6 2,-0.4 123,-0.1 124,-0.1 -0.413 360.0-132.0 -79.9 163.4 34.5 22.6 1.9 3 36 A R - 0 0 68 -2,-0.1 124,-2.1 56,-0.1 2,-0.5 -0.917 4.1-144.1-129.0 143.6 32.7 24.0 4.9 4 37 A L E -Ab 58 127A 2 54,-0.6 54,-2.5 -2,-0.4 2,-0.3 -0.931 25.1-173.2-105.2 123.0 29.4 23.3 6.6 5 38 A S E -Ab 57 128A 18 122,-2.9 124,-3.1 -2,-0.5 2,-0.4 -0.867 14.9-143.5-118.5 155.2 27.6 26.4 8.0 6 39 A V E -Ab 56 129A 0 50,-2.1 50,-2.8 -2,-0.3 2,-0.4 -0.974 7.5-163.0-121.8 128.2 24.5 26.8 10.1 7 40 A K E - b 0 130A 84 122,-3.5 124,-3.3 -2,-0.4 2,-0.4 -0.931 10.1-153.8-103.3 132.7 22.0 29.6 9.7 8 41 A F E - b 0 131A 5 -2,-0.4 2,-0.4 46,-0.4 124,-0.2 -0.911 13.3-171.9-104.3 135.0 19.7 30.3 12.6 9 42 A K E - b 0 132A 52 122,-2.9 124,-2.4 -2,-0.4 2,-0.2 -0.970 20.2-169.4-127.1 150.9 16.3 31.9 12.0 10 43 A Y + 0 0 8 -2,-0.4 9,-3.4 122,-0.2 7,-0.1 -0.711 43.5 124.5-132.2 78.5 13.5 33.2 14.3 11 44 A D + 0 0 48 7,-0.3 2,-2.3 -2,-0.2 6,-0.1 0.413 39.9 103.6-113.4 -3.6 10.6 34.0 12.0 12 45 A Y + 0 0 52 121,-0.6 123,-0.4 4,-0.1 2,-0.2 -0.425 64.5 99.6 -77.4 70.3 8.0 31.8 13.9 13 46 A N S > S- 0 0 13 -2,-2.3 3,-1.6 121,-0.1 239,-0.2 -0.816 92.7 -87.6-144.4 177.9 6.4 34.9 15.5 14 47 A X T 3 S+ 0 0 26 237,-0.9 238,-0.1 1,-0.3 -2,-0.1 0.640 124.0 58.9 -74.8 -9.4 3.4 37.2 15.1 15 48 A E T 3 S- 0 0 102 2,-0.2 -1,-0.3 236,-0.2 3,-0.1 0.438 97.1-141.1 -91.6 -0.1 5.3 39.4 12.7 16 49 A F < + 0 0 100 -3,-1.6 2,-0.3 1,-0.2 -4,-0.1 0.849 66.8 108.8 44.6 37.8 5.9 36.4 10.4 17 50 A A S S- 0 0 52 -7,-0.1 2,-0.4 -6,-0.1 -2,-0.2 -0.977 80.8 -93.5-146.3 152.0 9.4 37.8 9.9 18 51 A D + 0 0 60 -2,-0.3 -7,-0.3 1,-0.1 4,-0.1 -0.549 40.1 167.7 -75.2 120.0 12.9 36.8 10.9 19 52 A A > + 0 0 18 -9,-3.4 4,-1.9 -2,-0.4 5,-0.4 0.164 38.2 116.7-114.5 16.8 14.0 38.5 14.2 20 53 A F H >> S+ 0 0 8 1,-0.2 4,-2.9 2,-0.2 3,-0.9 0.940 76.9 44.3 -47.9 -65.3 17.1 36.4 15.0 21 54 A H H 34 S+ 0 0 84 1,-0.3 -1,-0.2 2,-0.2 -2,-0.1 0.802 116.4 49.8 -57.2 -30.8 19.8 39.2 14.7 22 55 A A H 34 S+ 0 0 76 -3,-0.3 -1,-0.3 1,-0.1 -2,-0.2 0.801 127.6 15.0 -75.3 -31.4 17.5 41.5 16.7 23 56 A Q H << S+ 0 0 94 -4,-1.9 2,-0.7 -3,-0.9 -2,-0.2 0.655 102.0 79.9-121.4 -26.5 16.7 39.2 19.7 24 57 A V < + 0 0 4 -4,-2.9 -1,-0.1 -5,-0.4 3,-0.1 -0.833 37.5 167.7-102.3 116.1 18.9 36.1 20.0 25 58 A D + 0 0 81 -2,-0.7 21,-1.7 1,-0.2 2,-0.3 0.301 65.6 37.9-109.4 10.5 22.3 36.7 21.6 26 59 A K E -C 45 0B 35 19,-0.2 46,-2.1 23,-0.1 2,-0.4 -0.911 55.6-179.4-158.0 133.7 23.3 33.0 22.2 27 60 A V E -CD 44 71B 0 17,-2.8 17,-2.3 -2,-0.3 2,-0.4 -0.972 6.7-167.1-125.8 144.0 22.9 29.8 20.2 28 61 A E E -CD 43 70B 17 42,-1.7 42,-1.9 -2,-0.4 2,-0.4 -0.932 11.5-156.7-133.9 111.2 24.2 26.4 21.3 29 62 A L E -CD 42 69B 0 13,-3.2 13,-2.0 -2,-0.4 2,-0.5 -0.724 1.3-155.8 -89.7 131.2 24.1 23.8 18.5 30 63 A Y E -CD 41 68B 4 38,-3.1 38,-1.6 -2,-0.4 2,-0.5 -0.925 9.2-160.0-106.6 131.5 24.0 20.1 19.5 31 64 A V E +CD 40 67B 0 9,-2.9 8,-3.2 -2,-0.5 9,-1.3 -0.952 11.2 178.0-119.4 126.9 25.4 17.6 16.9 32 65 A F E -CD 38 66B 0 34,-2.6 34,-2.1 -2,-0.5 6,-0.2 -0.895 21.2-124.8-123.8 155.1 24.5 13.9 16.9 33 66 A D > - 0 0 33 4,-2.5 3,-1.9 -2,-0.3 32,-0.2 -0.073 40.6 -76.8 -92.6-170.8 25.6 11.2 14.4 34 67 A K T 3 S+ 0 0 78 30,-0.4 31,-0.1 1,-0.3 29,-0.0 0.935 132.7 48.4 -49.5 -51.2 24.0 8.6 12.1 35 68 A N T 3 S- 0 0 135 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.441 119.8-108.5 -71.0 -3.2 23.3 6.4 15.2 36 69 A G S < S+ 0 0 14 -3,-1.9 53,-0.8 1,-0.3 2,-0.3 0.535 72.7 142.2 81.8 7.0 21.8 9.3 17.3 37 70 A K B -G 88 0C 76 51,-0.2 -4,-2.5 1,-0.1 -1,-0.3 -0.645 57.7-104.3 -82.4 137.2 24.9 9.4 19.5 38 71 A Y E +C 32 0B 15 49,-2.7 47,-2.7 -2,-0.3 -6,-0.3 -0.320 37.4 173.8 -61.3 136.8 26.1 12.8 20.7 39 72 A L E - 0 0 59 -8,-3.2 2,-0.3 1,-0.4 -7,-0.2 0.758 56.5 -52.8-108.8 -51.9 29.2 14.2 19.1 40 73 A F E -C 31 0B 57 -9,-1.3 -9,-2.9 43,-0.1 -1,-0.4 -0.975 39.3-121.0-173.7 169.8 29.5 17.7 20.5 41 74 A K E -C 30 0B 92 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.862 18.3-157.5-121.4 162.0 27.9 21.0 21.2 42 75 A Q E -C 29 0B 56 -13,-2.0 -13,-3.2 -2,-0.3 2,-0.4 -0.968 7.0-166.4-145.7 125.7 29.0 24.4 20.0 43 76 A A E +C 28 0B 56 -2,-0.3 2,-0.3 -15,-0.3 -15,-0.2 -0.879 10.7 169.8-116.4 135.9 28.1 27.7 21.6 44 77 A E E +C 27 0B 72 -17,-2.3 -17,-2.8 -2,-0.4 2,-0.3 -0.981 7.8 162.8-143.5 150.9 28.4 31.2 20.2 45 78 A E E +C 26 0B 94 -2,-0.3 3,-0.3 -19,-0.2 -19,-0.2 -0.959 30.2 47.3-159.5 162.0 27.1 34.4 21.7 46 79 A G S > S- 0 0 36 -21,-1.7 3,-1.4 -2,-0.3 4,-0.3 -0.608 100.6 -15.0 99.2-156.1 27.5 38.2 21.4 47 80 A S G > S+ 0 0 100 1,-0.3 3,-1.9 -2,-0.2 4,-0.5 0.768 117.4 72.2 -64.2 -31.1 27.9 40.7 18.7 48 81 A A G > S+ 0 0 37 -3,-0.3 3,-1.1 1,-0.3 -1,-0.3 0.870 95.4 54.3 -52.5 -38.7 28.6 38.2 15.9 49 82 A L G < S+ 0 0 1 -3,-1.4 3,-0.4 1,-0.2 5,-0.3 0.627 100.9 60.2 -71.8 -17.3 24.9 37.1 16.0 50 83 A S G < S+ 0 0 64 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.2 0.503 74.9 92.5 -92.3 -7.2 23.5 40.6 15.5 51 84 A T S < S- 0 0 87 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.1 0.775 92.2-121.9 -63.4 -28.3 25.1 41.4 12.1 52 85 A G S S+ 0 0 44 -3,-0.4 -1,-0.1 -4,-0.2 -2,-0.1 0.159 105.7 64.9 100.3 -12.7 22.1 40.1 10.1 53 86 A N + 0 0 139 -5,-0.2 -3,-0.1 -32,-0.1 2,-0.1 0.108 67.0 150.7-127.1 19.2 24.5 37.7 8.4 54 87 A Y + 0 0 19 -5,-0.3 -46,-0.4 -46,-0.1 2,-0.4 -0.305 14.3 171.7 -59.7 129.3 25.6 35.5 11.2 55 88 A L - 0 0 73 -48,-0.1 2,-0.5 -2,-0.1 -48,-0.2 -0.998 28.0-132.5-133.6 140.0 26.5 31.9 10.2 56 89 A X E -A 6 0A 0 -50,-2.8 -50,-2.1 -2,-0.4 2,-0.6 -0.823 15.9-141.1 -91.7 126.6 28.0 29.3 12.5 57 90 A E E -A 5 0A 91 -2,-0.5 2,-0.6 -52,-0.2 -52,-0.2 -0.774 19.8-167.1 -87.2 116.8 31.0 27.5 11.0 58 91 A V E -A 4 0A 7 -54,-2.5 2,-0.6 -2,-0.6 -54,-0.6 -0.916 13.9-146.3-113.3 112.1 30.8 23.8 12.0 59 92 A E + 0 0 167 -2,-0.6 -56,-0.1 -56,-0.1 -54,-0.0 -0.667 39.2 154.5 -75.7 115.8 33.9 21.5 11.5 60 93 A L - 0 0 8 -2,-0.6 3,-0.1 3,-0.0 -56,-0.1 -0.996 41.8-119.3-146.6 140.1 32.5 18.1 10.7 61 94 A P - 0 0 88 0, 0.0 60,-0.1 0, 0.0 62,-0.1 -0.376 52.4 -78.2 -72.1 163.4 33.6 15.1 8.8 62 95 A V S S+ 0 0 92 60,-0.2 2,-0.3 58,-0.1 60,-0.2 -0.360 89.5 86.0 -50.4 139.6 31.7 13.9 5.8 63 96 A G E S- E 0 121B 22 58,-3.1 58,-2.9 -3,-0.1 2,-0.4 -0.926 76.2 -63.5 157.2-173.2 28.6 12.0 7.1 64 97 A Q E + E 0 120B 123 -2,-0.3 -30,-0.4 56,-0.2 2,-0.3 -0.909 51.5 161.8-109.6 139.1 25.1 12.1 8.3 65 98 A Y E - E 0 119B 17 54,-2.8 54,-3.3 -2,-0.4 2,-0.4 -0.903 34.6-128.8-144.1 162.1 24.0 13.9 11.4 66 99 A Q E -DE 32 118B 52 -34,-2.1 -34,-2.6 -2,-0.3 2,-0.4 -0.986 26.7-167.2-114.3 137.3 21.1 15.4 13.3 67 100 A F E +DE 31 117B 0 50,-2.1 50,-2.7 -2,-0.4 2,-0.3 -0.930 15.3 157.4-116.6 148.8 21.4 19.0 14.6 68 101 A X E -D 30 0B 0 -38,-1.6 -38,-3.1 -2,-0.4 2,-0.3 -0.907 18.4-154.5-150.6 173.9 19.2 20.8 17.1 69 102 A A E -DE 29 114B 0 45,-1.6 45,-3.1 -2,-0.3 2,-0.4 -0.985 18.7-148.0-149.1 159.2 19.8 23.8 19.3 70 103 A W E -DE 28 113B 2 -42,-1.9 -42,-1.7 -2,-0.3 2,-0.4 -0.990 26.8-164.4-120.3 135.1 18.9 25.8 22.4 71 104 A A E +DE 27 112B 0 41,-2.9 41,-2.9 -2,-0.4 -44,-0.3 -0.944 64.6 14.9-124.9 143.9 19.3 29.5 22.1 72 105 A G S S+ 0 0 2 -46,-2.1 2,-0.4 -2,-0.4 -1,-0.1 0.338 79.1 148.8 78.6 -4.4 19.4 32.1 24.9 73 106 A A + 0 0 6 39,-0.2 -1,-0.2 -47,-0.2 2,-0.1 -0.484 14.2 132.9 -75.1 119.0 20.0 29.5 27.7 74 107 A R > - 0 0 78 -2,-0.4 3,-1.4 35,-0.1 -1,-0.1 -0.168 69.8 -20.5-131.1-128.2 22.1 31.0 30.5 75 108 A D T 3 S+ 0 0 131 1,-0.3 -2,-0.1 -2,-0.1 22,-0.1 0.625 121.3 65.3 -69.8 -16.2 21.7 31.0 34.3 76 109 A S T 3 S+ 0 0 5 20,-0.1 21,-3.1 33,-0.0 2,-0.4 0.722 100.2 55.5 -76.2 -17.4 18.0 30.2 34.5 77 110 A Y E < -H 96 0D 11 -3,-1.4 2,-0.5 19,-0.2 19,-0.2 -0.890 61.2-150.6-126.2 142.0 18.4 26.7 33.1 78 111 A D E -H 95 0D 97 17,-2.4 17,-2.7 -2,-0.4 2,-0.5 -0.968 16.9-167.6-101.2 125.2 20.3 23.5 33.6 79 112 A I E -H 94 0D 35 -2,-0.5 15,-0.2 15,-0.2 13,-0.1 -0.944 31.2-108.9-108.3 128.6 20.8 21.6 30.4 80 113 A T - 0 0 57 13,-2.4 2,-0.5 -2,-0.5 11,-0.0 -0.204 29.8-122.5 -54.4 144.8 22.0 18.0 30.9 81 114 A S - 0 0 113 11,-0.1 2,-0.2 -3,-0.0 -1,-0.1 -0.861 27.9-152.2 -95.6 128.8 25.7 17.3 30.0 82 115 A L - 0 0 20 -2,-0.5 10,-0.0 5,-0.1 -43,-0.0 -0.512 9.4-128.2-101.7 157.7 26.1 14.6 27.5 83 116 A T >> - 0 0 78 -2,-0.2 4,-2.5 5,-0.1 3,-2.1 -0.927 30.3-114.3-109.3 122.0 29.0 12.3 26.8 84 117 A P T 34 S+ 0 0 83 0, 0.0 -45,-0.2 0, 0.0 4,-0.1 -0.277 99.6 7.1 -51.9 128.6 30.4 12.0 23.3 85 118 A G T 34 S+ 0 0 50 -47,-2.7 -46,-0.1 2,-0.2 -48,-0.1 0.393 130.7 58.0 82.2 -2.7 29.8 8.6 21.8 86 119 A V T <4 S+ 0 0 97 -3,-2.1 -1,-0.1 -48,-0.2 -47,-0.1 0.680 88.8 67.7-123.2 -54.8 27.7 7.5 24.7 87 120 A S < - 0 0 12 -4,-2.5 -49,-2.7 -49,-0.1 2,-0.2 -0.214 59.8-161.4 -73.3 158.6 24.7 9.9 25.1 88 121 A T B > -G 37 0C 40 -51,-0.3 3,-2.0 -4,-0.1 4,-0.3 -0.804 38.9 -85.8-130.0 174.5 21.8 10.2 22.7 89 122 A L G > S+ 0 0 21 -53,-0.8 3,-2.2 1,-0.3 82,-0.3 0.829 121.4 61.2 -49.0 -43.7 19.0 12.9 22.0 90 123 A T G 3 S+ 0 0 91 1,-0.3 -1,-0.3 80,-0.1 81,-0.1 0.704 96.6 62.4 -66.5 -16.9 16.6 11.6 24.7 91 124 A D G < S+ 0 0 72 -3,-2.0 2,-0.6 79,-0.1 -1,-0.3 0.618 83.2 94.7 -73.2 -18.6 19.3 12.3 27.3 92 125 A L < + 0 0 0 -3,-2.2 79,-0.7 -4,-0.3 2,-0.3 -0.707 51.5 157.8 -84.3 117.8 19.2 16.0 26.5 93 126 A K E - I 0 170D 77 -2,-0.6 -13,-2.4 77,-0.2 2,-0.4 -0.990 30.0-150.1-142.0 148.3 16.8 17.9 28.8 94 127 A L E -HI 79 169D 0 75,-2.3 75,-2.8 -2,-0.3 2,-0.4 -0.967 15.9-171.1-121.0 129.9 16.5 21.5 29.9 95 128 A K E -HI 78 168D 77 -17,-2.7 -17,-2.4 -2,-0.4 2,-0.3 -0.989 24.2-127.0-126.7 127.4 15.1 22.3 33.3 96 129 A L E -H 77 0D 0 71,-2.8 -19,-0.2 -2,-0.4 2,-0.2 -0.579 39.7-114.1 -64.4 129.1 14.2 25.7 34.7 97 130 A K + 0 0 72 -21,-3.1 2,-0.3 -2,-0.3 -1,-0.1 -0.466 44.7 169.8 -68.7 138.6 16.0 26.1 38.0 98 131 A R - 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