==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LECTIN 20-MAY-05 2BSB . COMPND 2 MOLECULE: F17G ADHESIN SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR L.BUTS,A.WELLENS,I.VAN MOLLE,L.WYNS,R.LORIS,M.LAHMANN, . 161 4 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7421.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 103 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 40.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 . 1 0.6 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 . 16 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 4.3 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+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 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 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 3 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 A 0 0 80 0, 0.0 42,-2.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 149.6 0.7 -14.4 24.2 2 2 A V E +A 42 0A 28 40,-0.2 2,-0.3 142,-0.1 40,-0.2 -0.997 360.0 173.7-148.3 147.9 -2.6 -12.6 24.7 3 3 A S E -A 41 0A 48 38,-1.6 38,-2.8 -2,-0.3 2,-0.5 -0.986 33.7-110.9-151.3 152.5 -4.6 -11.0 27.5 4 4 A F E +A 40 0A 47 -2,-0.3 36,-0.2 36,-0.2 145,-0.1 -0.750 38.4 160.0 -89.6 130.6 -7.8 -9.0 27.8 5 5 A I + 0 0 71 34,-2.4 35,-0.2 -2,-0.5 -1,-0.1 0.237 45.8 83.3-133.6 11.3 -7.3 -5.4 28.8 6 6 A G S S- 0 0 21 33,-1.1 2,-0.4 1,-0.1 33,-0.1 -0.273 81.8 -82.1-105.4-166.6 -10.5 -3.6 27.8 7 7 A S - 0 0 65 1,-0.1 146,-0.1 -2,-0.1 -2,-0.1 -0.820 23.7-145.4-102.1 139.2 -14.0 -3.1 29.2 8 8 A T S S+ 0 0 56 -2,-0.4 145,-3.0 144,-0.1 2,-0.4 0.928 88.0 43.7 -66.8 -50.0 -16.7 -5.7 28.8 9 9 A E E S-h 153 0B 109 143,-0.2 2,-0.4 145,-0.0 145,-0.2 -0.840 73.9-173.2-100.0 137.9 -19.7 -3.3 28.5 10 10 A N E -h 154 0B 13 143,-0.7 145,-2.8 -2,-0.4 2,-0.3 -0.982 17.3-139.1-138.5 126.9 -19.2 -0.3 26.2 11 11 A D E -h 155 0B 87 -2,-0.4 2,-0.5 143,-0.2 145,-0.2 -0.592 17.1-143.3 -82.3 139.8 -21.4 2.7 25.5 12 12 A V E -h 156 0B 0 143,-3.5 145,-2.1 -2,-0.3 22,-0.2 -0.912 61.8 -1.8-108.6 123.5 -21.8 3.9 22.0 13 13 A G S S- 0 0 9 20,-2.1 144,-0.2 -2,-0.5 2,-0.2 0.216 96.2 -61.9 82.8 152.8 -22.1 7.7 21.3 14 14 A P 0 0 71 0, 0.0 -2,-0.0 0, 0.0 17,-0.0 -0.488 360.0 360.0 -72.0 137.8 -22.1 10.6 23.8 15 15 A S 0 0 107 -2,-0.2 144,-0.1 144,-0.1 142,-0.0 -0.093 360.0 360.0 -59.1 360.0 -25.1 10.6 26.2 16 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 17 17 A G 0 0 46 0, 0.0 143,-1.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 134.5 -26.5 14.3 22.4 18 18 A S E -l 160 0C 70 141,-0.2 2,-0.4 143,-0.1 143,-0.2 -0.970 360.0-165.9-125.5 140.5 -29.0 16.0 20.1 19 19 A Y E l 161 0C 35 141,-2.5 143,-3.5 -2,-0.4 9,-0.0 -0.975 360.0 360.0-132.9 144.5 -29.1 15.8 16.3 20 20 A S 0 0 115 -2,-0.4 143,-0.1 141,-0.2 141,-0.1 -0.579 360.0 360.0-123.6 360.0 -30.7 17.7 13.4 21 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 22 28 A L 0 0 164 0, 0.0 2,-0.1 0, 0.0 101,-0.1 0.000 360.0 360.0 360.0 157.9 -37.3 8.8 3.2 23 29 A P - 0 0 66 0, 0.0 2,-0.4 0, 0.0 100,-0.2 0.484 360.0-162.3 -74.0 143.2 -35.7 6.9 4.6 24 30 A F E -B 122 0A 41 98,-0.9 98,-3.0 -2,-0.1 2,-0.7 -0.801 6.8-149.2 -97.2 135.6 -33.5 9.8 5.7 25 31 A V E -B 121 0A 53 -2,-0.4 2,-0.8 96,-0.2 96,-0.2 -0.883 8.4-143.5-108.8 106.6 -30.0 9.1 7.0 26 32 A Y - 0 0 34 94,-1.3 2,-1.3 -2,-0.7 -2,-0.0 -0.551 18.7-145.9 -65.0 107.9 -28.7 11.5 9.6 27 33 A D + 0 0 118 -2,-0.8 3,-0.1 1,-0.2 -1,-0.1 -0.689 36.8 156.9 -84.7 99.0 -25.0 11.7 8.6 28 34 A T > - 0 0 14 -2,-1.3 3,-2.0 1,-0.4 4,-0.3 0.133 39.4-143.6-103.9 14.8 -23.3 12.2 11.9 29 35 A G T 3 - 0 0 18 1,-0.3 -1,-0.4 2,-0.1 3,-0.2 -0.359 64.3 -33.4 59.6-130.5 -20.0 10.8 10.6 30 36 A Y T 3 S+ 0 0 102 1,-0.1 -1,-0.3 -3,-0.1 3,-0.2 0.214 110.6 106.3-106.0 10.6 -18.2 8.8 13.3 31 37 A N S < S+ 0 0 122 -3,-2.0 2,-1.7 1,-0.2 -1,-0.1 0.870 70.3 59.0 -59.7 -42.5 -19.5 10.9 16.1 32 38 A I S S+ 0 0 2 86,-0.4 86,-2.7 -4,-0.3 2,-0.2 -0.576 98.1 82.5 -89.1 74.4 -22.0 8.4 17.5 33 39 A G E - C 0 117A 12 -2,-1.7 -20,-2.1 84,-0.3 2,-0.3 -0.827 68.8-112.9-153.8-167.2 -19.6 5.7 18.2 34 40 A Y E - C 0 116A 46 82,-3.2 82,-2.6 -2,-0.2 2,-0.4 -0.993 25.1-179.4-142.8 137.2 -17.0 4.0 20.4 35 41 A Q E + C 0 115A 90 -2,-0.3 2,-0.3 80,-0.2 80,-0.2 -0.991 9.3 162.1-146.0 130.9 -13.2 3.5 19.7 36 42 A N E - C 0 114A 38 78,-2.3 78,-2.5 -2,-0.4 3,-0.2 -0.910 19.2-166.8-152.2 118.5 -10.5 1.9 21.7 37 43 A A E S+ 0 0 38 -2,-0.3 2,-0.4 76,-0.3 3,-0.2 0.490 82.4 58.2 -84.5 -5.6 -7.1 0.8 20.4 38 44 A N E + 0 0 82 1,-0.1 75,-0.2 73,-0.1 -1,-0.2 -0.686 54.0 121.6-131.1 83.3 -6.3 -1.3 23.4 39 45 A V E S+ 0 0 4 73,-2.4 -34,-2.4 -2,-0.4 -33,-1.1 0.632 79.7 32.5-108.3 -26.5 -8.8 -4.0 24.1 40 46 A W E -AC 4 112A 1 72,-1.6 72,-1.9 -36,-0.2 2,-0.6 -0.967 68.9-140.0-134.5 150.1 -6.3 -6.9 23.9 41 47 A H E -AC 3 111A 78 -38,-2.8 -38,-1.6 -2,-0.3 2,-0.3 -0.951 30.6-179.9-107.8 116.4 -2.6 -7.3 24.7 42 48 A I E +AC 2 110A 1 68,-1.8 68,-2.8 -2,-0.6 2,-0.3 -0.929 8.8 152.9-124.7 150.1 -0.8 -9.4 22.1 43 49 A S > + 0 0 29 -42,-2.0 3,-0.6 -2,-0.3 66,-0.2 -0.951 42.8 47.9-158.6 173.9 2.8 -10.5 21.7 44 50 A G T 3 S- 0 0 49 64,-0.3 63,-0.2 -2,-0.3 -1,-0.2 0.937 123.8 -46.6 51.1 66.3 5.0 -13.2 20.2 45 51 A G T 3 S+ 0 0 38 61,-1.6 -1,-0.2 1,-0.2 2,-0.2 0.663 87.9 166.3 56.0 17.8 3.8 -13.7 16.6 46 52 A F < - 0 0 13 -3,-0.6 59,-2.3 60,-0.3 2,-0.5 -0.468 22.5-153.8 -66.7 132.4 0.2 -13.8 17.9 47 53 A a E +I 104 0B 1 93,-0.5 93,-1.6 57,-0.3 2,-0.3 -0.931 20.7 167.2-111.3 129.1 -2.3 -13.4 15.0 48 54 A V E +IJ 103 139B 1 55,-2.5 55,-2.1 -2,-0.5 2,-0.2 -0.999 11.4 173.0-145.5 147.6 -5.7 -11.9 15.6 49 55 A G E - J 0 138B 0 89,-1.4 89,-3.1 -2,-0.3 2,-0.4 -0.564 29.0-103.9-131.1-164.7 -8.7 -10.6 13.7 50 56 A L E -IJ 100 137B 0 50,-2.4 49,-2.8 87,-0.3 50,-1.4 -0.992 16.9-166.7-140.1 142.0 -12.3 -9.5 14.5 51 57 A D E -IJ 98 136B 17 85,-2.5 85,-2.3 -2,-0.4 2,-0.3 -0.926 15.7-157.8-119.3 145.0 -15.8 -10.8 14.2 52 58 A G E -IJ 97 135B 0 45,-3.0 45,-2.8 -2,-0.4 2,-0.3 -0.917 8.4-171.1-126.3 153.2 -18.9 -8.6 14.7 53 59 A K E - J 0 134B 44 81,-2.5 81,-2.7 -2,-0.3 2,-0.5 -0.972 8.1-159.7-147.3 124.9 -22.5 -9.3 15.6 54 60 A V E - J 0 133B 1 -2,-0.3 79,-0.3 41,-0.3 78,-0.1 -0.926 3.6-172.8-106.3 123.0 -25.5 -6.9 15.7 55 61 A D + 0 0 76 77,-2.7 78,-0.2 -2,-0.5 -1,-0.1 0.652 51.6 106.8 -88.7 -17.0 -28.4 -8.1 17.8 56 62 A L S S- 0 0 9 76,-1.0 14,-0.1 1,-0.1 2,-0.1 -0.270 83.0 -93.4 -62.2 148.5 -30.9 -5.4 16.7 57 63 A P - 0 0 79 0, 0.0 12,-2.8 0, 0.0 2,-1.0 -0.373 31.7-122.4 -67.3 138.1 -33.7 -6.5 14.4 58 64 A V E +D 68 0A 63 10,-0.2 10,-0.2 1,-0.2 3,-0.1 -0.711 36.4 170.8 -81.0 103.0 -33.1 -6.1 10.7 59 65 A V E - 0 0 83 8,-2.4 2,-0.3 -2,-1.0 -1,-0.2 0.474 62.1 -32.2 -93.4 -2.1 -36.0 -3.8 9.6 60 66 A G E -D 67 0A 27 7,-0.8 7,-2.3 -3,-0.1 2,-0.3 -0.985 59.0-102.3 175.2-169.4 -34.7 -3.2 6.1 61 67 A S E -D 66 0A 86 -2,-0.3 2,-0.4 5,-0.3 5,-0.2 -0.996 19.7-168.6-147.0 141.0 -31.7 -2.8 3.8 62 68 A L E > S-D 65 0A 61 3,-3.1 3,-2.7 -2,-0.3 -2,-0.0 -0.991 71.6 -28.7-136.3 126.4 -30.0 0.2 2.2 63 69 A D T 3 S- 0 0 164 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.784 129.6 -42.9 39.5 36.5 -27.4 0.1 -0.5 64 70 A G T 3 S+ 0 0 59 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.042 119.7 93.4 106.2 -31.3 -26.3 -3.3 0.8 65 71 A Q E < S-D 62 0A 27 -3,-2.7 -3,-3.1 1,-0.1 -1,-0.2 -0.737 75.6-101.1-104.2 153.7 -26.3 -2.9 4.5 66 72 A S E -D 61 0A 9 25,-1.2 2,-0.8 -2,-0.3 12,-0.4 -0.263 18.0-139.1 -66.7 147.2 -28.9 -3.6 7.1 67 73 A I E -D 60 0A 13 -7,-2.3 -8,-2.4 10,-0.1 -7,-0.8 -0.932 24.1-155.1-106.1 105.9 -31.2 -1.0 8.7 68 74 A Y E -DE 58 76A 0 8,-2.5 8,-3.3 -2,-0.8 2,-0.3 -0.706 13.3-130.4 -86.1 132.9 -31.3 -2.1 12.3 69 75 A G E + E 0 75A 7 -12,-2.8 6,-0.2 -2,-0.4 3,-0.1 -0.661 36.1 164.2 -93.7 140.3 -34.4 -1.0 14.2 70 76 A L S S- 0 0 33 4,-2.4 2,-0.3 1,-0.5 5,-0.2 0.725 77.7 -1.3-109.1 -50.5 -34.7 0.8 17.5 71 77 A T S S- 0 0 59 3,-2.2 -1,-0.5 56,-0.0 52,-0.1 -0.915 80.0 -98.1-138.9 162.7 -38.3 2.1 17.3 72 78 A E S S+ 0 0 129 -2,-0.3 3,-0.1 1,-0.2 -3,-0.0 0.682 128.7 38.2 -57.0 -13.0 -41.0 1.9 14.7 73 79 A E S S+ 0 0 36 50,-0.2 50,-2.6 1,-0.2 2,-0.4 0.726 114.7 50.2-108.5 -31.6 -39.8 5.4 13.9 74 80 A V E + F 0 122A 0 48,-0.2 -4,-2.4 49,-0.1 -3,-2.2 -0.902 56.2 167.8-118.6 143.4 -36.0 5.3 14.2 75 81 A G E -EF 69 121A 0 46,-2.9 46,-2.3 -2,-0.4 2,-0.3 -0.813 19.4-129.3-137.9 178.3 -33.4 2.9 12.8 76 82 A L E -EF 68 120A 0 -8,-3.3 -8,-2.5 -2,-0.2 2,-0.4 -0.966 7.6-147.4-139.4 154.8 -29.6 2.6 12.5 77 83 A L E - F 0 119A 7 42,-1.3 42,-1.6 -2,-0.3 2,-0.4 -0.943 33.8-155.9-111.2 134.6 -26.8 1.9 10.0 78 84 A I E - F 0 118A 0 -2,-0.4 13,-3.5 -12,-0.4 2,-0.4 -0.956 18.5-172.9-128.0 139.4 -23.9 0.1 11.8 79 85 A W E +GF 90 117A 39 38,-2.1 38,-1.8 -2,-0.4 2,-0.3 -0.982 9.0 174.5-125.4 133.0 -20.2 -0.2 11.2 80 86 A M E +GF 89 116A 0 9,-1.8 9,-2.1 -2,-0.4 2,-0.3 -0.958 25.1 97.3-133.9 151.5 -17.8 -2.5 13.2 81 87 A G E -GF 88 115A 0 34,-1.4 34,-1.8 -2,-0.3 7,-0.2 -0.989 62.7 -10.9 165.8-159.1 -14.1 -3.2 12.6 82 88 A D S S- 0 0 23 5,-0.9 32,-0.3 17,-0.4 5,-0.2 -0.054 78.6 -81.2 -65.6 169.6 -10.5 -2.4 13.6 83 89 A T S S+ 0 0 24 30,-0.2 31,-0.1 31,-0.1 2,-0.1 0.826 108.2 75.3 -38.6 -60.9 -9.4 0.6 15.7 84 90 A N S > S- 0 0 67 1,-0.1 3,-1.2 3,-0.1 31,-0.1 -0.399 79.7-137.3 -62.0 131.9 -9.4 3.3 13.0 85 91 A Y G > S+ 0 0 44 1,-0.3 3,-0.9 -2,-0.1 -1,-0.1 0.890 99.6 58.5 -57.1 -46.8 -13.0 4.3 12.2 86 92 A S G 3 S+ 0 0 87 1,-0.3 -1,-0.3 -5,-0.0 -2,-0.1 0.618 95.4 68.6 -62.6 -11.7 -12.5 4.5 8.4 87 93 A R G < S+ 0 0 146 -3,-1.2 -5,-0.9 -5,-0.2 -1,-0.3 -0.123 78.7 125.5 -99.5 36.2 -11.5 0.8 8.5 88 94 A G E < -G 81 0A 29 -3,-0.9 2,-0.4 -7,-0.2 -7,-0.2 -0.270 55.6-129.6 -89.4 177.5 -15.0 -0.5 9.4 89 95 A T E -G 80 0A 51 -9,-2.1 -9,-1.8 -2,-0.1 2,-0.1 -0.994 24.9-119.6-129.9 122.4 -17.3 -3.0 7.9 90 96 A A E -G 79 0A 42 -2,-0.4 2,-0.4 -11,-0.2 -11,-0.2 -0.432 36.4-125.6 -62.2 129.7 -21.0 -2.2 7.2 91 97 A M + 0 0 2 -13,-3.5 -25,-1.2 -2,-0.1 2,-0.4 -0.645 32.3 175.2 -87.2 132.9 -23.1 -4.6 9.2 92 98 A S - 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