==== 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 18-MAY-05 2BS8 . COMPND 2 MOLECULE: ADHESIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR L.BUTS,A.WELLENS,I.VAN MOLLE,L.WYNS,R.LORIS,M.LAHMANN, . 176 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8392.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 105 59.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 36.9 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 . 13 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 5.1 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 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 PARALLEL BRIDGES PER LADDER . 2 2 2 1 2 0 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 V 0 0 105 0, 0.0 48,-2.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 142.4 0.7 -14.0 24.3 2 2 A V E +A 48 0A 20 46,-0.3 2,-0.3 155,-0.1 46,-0.2 -0.866 360.0 179.0-135.9 169.0 -2.7 -12.2 24.6 3 3 A S E -A 47 0A 33 44,-0.7 44,-3.3 -2,-0.3 2,-0.5 -0.877 27.9-123.4-173.3 141.1 -4.6 -10.5 27.3 4 4 A F E +A 46 0A 47 -2,-0.3 42,-0.2 42,-0.2 157,-0.1 -0.807 37.6 156.2 -92.6 124.9 -7.9 -8.7 27.7 5 5 A I + 0 0 69 40,-2.3 41,-0.2 -2,-0.5 -1,-0.1 0.439 47.5 76.8-128.5 -3.3 -7.5 -5.2 29.0 6 6 A G S S- 0 0 23 39,-1.4 2,-0.4 1,-0.1 39,-0.1 0.290 83.5 -80.8 -86.4-145.2 -10.6 -3.3 27.9 7 7 A S - 0 0 57 1,-0.1 158,-0.1 158,-0.1 -1,-0.1 -0.994 18.1-137.0-133.2 137.1 -14.1 -3.3 29.1 8 8 A T S S+ 0 0 56 -2,-0.4 157,-4.1 156,-0.2 2,-0.4 0.796 92.2 41.7 -55.4 -41.9 -17.0 -5.7 28.6 9 9 A E E +h 165 0B 102 155,-0.2 2,-0.4 137,-0.0 157,-0.2 -0.953 67.0 179.7-116.7 133.0 -19.7 -3.1 28.0 10 10 A N E -h 166 0B 15 155,-1.5 157,-1.8 -2,-0.4 2,-0.4 -0.983 23.2-131.7-138.1 124.9 -19.2 0.0 26.0 11 11 A D E -h 167 0B 66 -2,-0.4 2,-0.5 155,-0.2 157,-0.2 -0.605 17.5-138.6 -81.2 124.8 -21.7 2.8 25.3 12 12 A V E S-h 168 0B 0 155,-4.0 157,-2.8 -2,-0.4 28,-0.2 -0.717 71.1 -4.0 -83.2 121.8 -22.0 3.9 21.6 13 13 A G S S- 0 0 6 26,-2.5 156,-0.2 -2,-0.5 25,-0.2 0.279 97.8 -69.9 75.0 153.1 -22.3 7.7 21.3 14 14 A P > - 0 0 74 0, 0.0 3,-0.9 0, 0.0 2,-0.1 -0.341 56.3 -98.1 -74.7 158.1 -22.5 10.1 24.2 15 15 A S T 3 S+ 0 0 70 1,-0.2 156,-0.1 -2,-0.1 154,-0.1 -0.454 101.7 14.8 -77.6 148.9 -25.5 10.3 26.5 16 16 A Q T 3 S+ 0 0 171 154,-0.3 -1,-0.2 1,-0.2 155,-0.2 0.710 87.1 172.4 63.1 22.6 -28.2 13.0 25.9 17 17 A G E < -l 171 0C 13 153,-1.0 155,-2.0 -3,-0.9 2,-0.4 -0.354 20.4-153.3 -68.6 142.4 -26.8 13.8 22.5 18 18 A S E -l 172 0C 84 153,-0.2 2,-0.4 -2,-0.1 155,-0.2 -0.954 10.9-169.7-116.7 132.3 -28.7 16.2 20.2 19 19 A Y E -l 173 0C 27 153,-1.5 155,-1.9 -2,-0.4 2,-0.3 -0.959 1.7-168.5-127.2 142.6 -28.4 16.0 16.4 20 20 A S + 0 0 78 -2,-0.4 2,-0.3 154,-0.2 -2,-0.0 -0.911 7.4 177.0-128.9 153.9 -29.6 18.3 13.6 21 21 A S + 0 0 19 -2,-0.3 155,-0.9 11,-0.1 4,-0.1 -0.939 17.3 178.0-157.0 131.2 -30.0 18.2 9.8 22 22 A T + 0 0 114 -2,-0.3 3,-0.1 153,-0.2 -1,-0.1 0.351 60.9 102.6-111.4 -0.3 -31.4 20.7 7.3 23 23 A H S S- 0 0 146 1,-0.1 2,-0.3 2,-0.0 -2,-0.0 0.919 89.0 -64.2 -47.5-103.5 -30.5 18.5 4.3 24 24 A A + 0 0 41 1,-0.0 -1,-0.1 3,-0.0 3,-0.1 -0.833 44.0 169.4-164.5 122.6 -33.7 16.7 3.0 25 25 A M + 0 0 23 -2,-0.3 3,-0.4 1,-0.1 5,-0.1 -0.012 44.4 119.0-123.1 26.3 -36.0 14.1 4.6 26 26 A D S S+ 0 0 127 1,-0.3 2,-0.9 3,-0.1 -1,-0.1 0.942 78.3 37.6 -57.8 -54.8 -38.8 14.2 2.0 27 27 A N S S- 0 0 131 2,-0.1 -1,-0.3 -3,-0.1 -3,-0.0 -0.715 103.1-122.7-105.2 82.8 -38.6 10.6 0.9 28 28 A L S S+ 0 0 39 -2,-0.9 101,-0.1 -3,-0.4 2,-0.1 -0.182 85.6 75.9 -56.3 155.9 -37.8 8.5 4.0 29 29 A P + 0 0 72 0, 0.0 2,-0.3 0, 0.0 100,-0.2 0.474 67.6 174.9 -74.9 149.1 -35.9 6.7 4.9 30 30 A F E -B 128 0A 21 98,-1.0 98,-3.1 -2,-0.1 2,-0.5 -0.911 18.1-150.9-120.1 149.0 -33.3 9.5 5.6 31 31 A V E -B 127 0A 31 -2,-0.3 96,-0.2 96,-0.2 51,-0.1 -0.948 12.9-135.1-128.0 114.2 -29.9 9.1 7.2 32 32 A Y - 0 0 2 94,-2.1 2,-0.9 -2,-0.5 -11,-0.1 -0.313 14.1-137.8 -60.4 143.5 -28.2 11.8 9.2 33 33 A N + 0 0 129 1,-0.1 3,-0.1 92,-0.1 -1,-0.1 -0.740 43.3 152.0-105.5 82.9 -24.6 12.2 8.3 34 34 A T > - 0 0 20 -2,-0.9 3,-1.7 1,-0.4 -1,-0.1 0.212 45.9-140.6 -94.9 15.3 -23.2 12.7 11.8 35 35 A G T 3 - 0 0 27 1,-0.2 -1,-0.4 2,-0.1 3,-0.3 -0.407 60.9 -33.1 62.8-133.1 -19.9 11.2 10.7 36 36 A Y T 3 S+ 0 0 101 1,-0.2 -1,-0.2 -3,-0.1 -23,-0.1 0.055 104.5 111.2-107.8 21.4 -18.4 9.0 13.3 37 37 A N < + 0 0 126 -3,-1.7 2,-1.0 1,-0.2 -1,-0.2 0.782 67.7 62.2 -68.9 -28.2 -19.7 10.9 16.3 38 38 A I S S+ 0 0 0 86,-0.5 86,-3.1 -3,-0.3 2,-0.3 -0.828 96.2 60.9 -99.3 96.2 -22.2 8.2 17.5 39 39 A G E S- C 0 123A 10 -2,-1.0 -26,-2.5 84,-0.3 2,-0.3 -0.953 73.4 -89.1 179.7-161.4 -19.9 5.3 18.3 40 40 A Y E - C 0 122A 37 82,-3.0 82,-2.7 -2,-0.3 2,-0.4 -0.995 23.5-178.7-147.2 139.5 -17.0 3.7 20.2 41 41 A Q E + C 0 121A 88 -2,-0.3 2,-0.4 80,-0.2 80,-0.2 -0.939 12.3 159.6-145.8 118.4 -13.3 3.5 19.9 42 42 A N E - C 0 120A 37 78,-1.9 78,-1.3 -2,-0.4 3,-0.2 -0.864 14.3-172.6-137.7 98.0 -10.7 1.7 22.1 43 43 A A E S+ 0 0 39 -2,-0.4 2,-0.3 76,-0.2 3,-0.1 0.428 81.6 61.5 -70.9 4.2 -7.5 1.0 20.2 44 44 A N E + 0 0 86 76,-0.1 -1,-0.2 1,-0.1 75,-0.2 -0.722 56.7 117.4-136.0 85.2 -6.5 -1.0 23.3 45 45 A V E S+ 0 0 3 73,-2.6 -40,-2.3 1,-0.3 -39,-1.4 0.627 78.7 30.0-117.7 -29.2 -8.8 -3.9 24.1 46 46 A W E -AC 4 118A 2 72,-2.0 72,-3.1 -42,-0.2 2,-0.5 -0.994 67.6-145.3-136.9 129.5 -6.4 -6.9 23.8 47 47 A R E -AC 3 117A 101 -44,-3.3 -44,-0.7 -2,-0.4 2,-0.3 -0.815 27.8-177.9 -94.3 131.2 -2.6 -7.0 24.5 48 48 A I E +AC 2 116A 1 68,-1.1 68,-2.6 -2,-0.5 2,-0.3 -0.922 9.9 163.7-130.6 156.3 -0.8 -9.4 22.1 49 49 A G > + 0 0 1 -48,-2.4 3,-0.5 -2,-0.3 66,-0.2 -0.987 45.9 42.7-162.2 164.3 2.8 -10.6 21.6 50 50 A G T 3 S- 0 0 49 62,-0.7 63,-0.3 64,-0.5 62,-0.1 0.922 125.3 -44.1 62.3 54.5 5.0 -13.2 20.0 51 51 A G T 3 S+ 0 0 35 61,-1.6 -1,-0.2 1,-0.2 62,-0.1 0.489 86.9 167.6 73.5 1.3 3.5 -13.6 16.5 52 52 A F < - 0 0 14 -3,-0.5 59,-1.6 60,-0.3 2,-0.5 -0.251 21.3-154.4 -50.4 125.2 0.0 -13.6 17.9 53 53 A a E +I 110 0B 7 99,-0.5 99,-1.3 57,-0.3 2,-0.3 -0.932 17.6 175.0-110.7 128.1 -2.4 -13.2 15.0 54 54 A V E -IJ 109 151B 1 55,-2.3 55,-2.0 -2,-0.5 2,-0.2 -0.986 11.7-179.5-137.6 146.4 -5.9 -11.8 15.6 55 55 A G E - J 0 150B 0 95,-1.5 95,-2.1 -2,-0.3 2,-0.4 -0.587 27.3-108.7-124.2-173.5 -8.9 -10.7 13.5 56 56 A L E -IJ 106 149B 0 50,-2.1 49,-3.9 93,-0.2 50,-1.3 -0.966 20.8-170.9-137.5 128.7 -12.3 -9.2 14.4 57 57 A D E -IJ 104 148B 13 91,-2.3 91,-2.3 -2,-0.4 2,-0.3 -0.836 9.1-172.7-108.7 145.4 -15.8 -10.5 14.4 58 58 A G E -IJ 103 147B 0 45,-2.5 45,-2.6 -2,-0.3 2,-0.3 -0.948 7.6-176.8-136.2 157.6 -19.0 -8.4 14.9 59 59 A K E - J 0 146B 51 87,-2.0 87,-2.4 -2,-0.3 2,-0.4 -0.879 12.3-153.2-160.3 121.2 -22.7 -9.1 15.4 60 60 A V E - J 0 145B 1 -2,-0.3 85,-0.3 41,-0.3 84,-0.0 -0.785 3.2-167.8 -96.2 137.1 -25.6 -6.8 15.7 61 61 A D + 0 0 91 83,-4.7 84,-0.2 -2,-0.4 -1,-0.1 0.797 53.8 104.5 -95.1 -32.1 -28.7 -8.0 17.6 62 62 A L S S- 0 0 14 82,-1.0 14,-0.1 1,-0.1 -2,-0.1 -0.123 83.3 -94.8 -49.4 143.6 -31.2 -5.3 16.7 63 63 A P - 0 0 79 0, 0.0 12,-2.3 0, 0.0 2,-1.2 -0.258 30.1-115.2 -64.7 149.3 -33.8 -6.6 14.1 64 64 A V B +D 74 0A 62 10,-0.2 10,-0.2 1,-0.2 3,-0.1 -0.733 33.6 176.3 -87.6 97.1 -33.3 -6.0 10.4 65 65 A V - 0 0 86 -2,-1.2 2,-0.3 8,-1.0 -1,-0.2 0.366 66.4 -50.1 -81.8 6.0 -36.2 -3.7 9.5 66 66 A G - 0 0 29 7,-0.8 7,-0.3 2,-0.0 2,-0.3 -0.992 62.2 -83.9 162.2-154.5 -34.8 -3.5 6.0 67 67 A S - 0 0 80 -2,-0.3 2,-0.4 5,-0.3 5,-0.3 -0.934 19.4-162.3-158.2 130.9 -31.7 -2.8 3.9 68 68 A L B > S-N 71 0D 50 3,-3.2 3,-4.0 -2,-0.3 -2,-0.0 -0.963 75.5 -29.2-116.8 130.0 -30.0 0.3 2.6 69 69 A D T 3 S- 0 0 160 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.698 126.9 -43.6 32.6 43.9 -27.4 -0.0 -0.3 70 70 A G T 3 S+ 0 0 64 1,-0.4 2,-0.3 27,-0.0 -1,-0.3 0.488 123.8 105.4 86.9 2.8 -26.4 -3.5 0.6 71 71 A Q B < S-N 68 0D 19 -3,-4.0 -3,-3.2 27,-0.0 2,-0.6 -0.872 75.3-112.2-116.0 150.2 -26.2 -2.6 4.3 72 72 A S - 0 0 10 25,-2.4 2,-0.6 -2,-0.3 12,-0.6 -0.728 16.9-146.3 -90.9 119.6 -28.7 -3.6 6.9 73 73 A I E - E 0 83A 13 -2,-0.6 -8,-1.0 -7,-0.3 -7,-0.8 -0.719 21.4-154.0 -78.3 118.1 -30.9 -0.8 8.4 74 74 A Y E -DE 64 82A 1 8,-2.4 8,-1.3 -2,-0.6 -10,-0.2 -0.845 9.0-137.7-100.6 132.9 -31.4 -2.0 12.0 75 75 A G E + E 0 81A 4 -12,-2.3 6,-0.2 -2,-0.4 3,-0.1 -0.519 34.3 160.2 -94.7 158.7 -34.4 -0.8 13.9 76 76 A L E S+ 0 0 39 4,-2.1 2,-0.3 1,-0.6 5,-0.2 0.503 73.8 16.6-130.5 -63.7 -35.1 0.5 17.4 77 77 A T E > S- E 0 80A 35 3,-1.1 3,-1.1 61,-0.1 -1,-0.6 -0.797 88.0 -96.3-116.4 159.1 -38.4 2.3 17.3 78 78 A E T 3 S+ 0 0 142 -2,-0.3 52,-0.9 1,-0.3 -1,-0.1 0.866 126.2 28.6 -35.8 -52.8 -41.3 2.3 14.8 79 79 A E T 3 S+ 0 0 50 50,-0.2 50,-4.8 49,-0.1 2,-0.4 0.506 111.8 72.1 -94.1 -7.7 -39.8 5.5 13.2 80 80 A V E < +EF 77 128A 0 -3,-1.1 -4,-2.1 48,-0.3 -3,-1.1 -0.933 47.3 150.6-122.8 138.9 -36.0 5.2 13.9 81 81 A G E -EF 75 127A 0 46,-3.8 46,-3.6 -2,-0.4 2,-0.3 -0.710 22.8-134.5-140.6-170.6 -33.3 3.0 12.6 82 82 A L E -EF 74 126A 0 -8,-1.3 -8,-2.4 44,-0.3 2,-0.6 -0.999 17.1-130.5-160.2 153.0 -29.5 2.9 11.9 83 83 A L E -EF 73 125A 6 42,-2.6 42,-2.2 -2,-0.3 2,-0.4 -0.911 40.4-155.9 -98.8 121.3 -26.6 2.2 9.7 84 84 A I E - F 0 124A 0 -2,-0.6 13,-0.9 -12,-0.6 2,-0.3 -0.870 13.7-172.3-111.0 139.8 -24.1 0.2 11.8 85 85 A W E +GF 96 123A 40 38,-2.2 38,-1.4 -2,-0.4 2,-0.3 -0.964 7.5 170.0-127.7 142.9 -20.4 -0.2 11.4 86 86 A M E +GF 95 122A 0 9,-1.4 9,-2.2 -2,-0.3 2,-0.3 -0.974 24.1 93.3-148.5 154.5 -17.9 -2.5 13.2 87 87 A G E - F 0 121A 0 34,-0.9 34,-1.9 -2,-0.3 19,-0.2 -0.992 65.1 -14.9 159.2-154.4 -14.3 -3.4 12.7 88 88 A D S S- 0 0 22 17,-0.5 32,-0.3 5,-0.4 5,-0.2 0.018 78.1 -74.2 -72.9-178.2 -10.7 -2.5 13.7 89 89 A T S S+ 0 0 26 30,-0.2 5,-0.1 31,-0.1 31,-0.1 0.921 105.0 74.4 -43.4 -81.9 -9.4 0.7 15.4 90 90 A N S > S- 0 0 68 1,-0.2 3,-3.1 2,-0.1 4,-0.1 -0.166 77.8-139.6 -43.1 115.2 -9.4 3.5 12.8 91 91 A Y G > S+ 0 0 47 1,-0.3 3,-2.0 2,-0.2 -1,-0.2 0.850 102.6 63.6 -45.7 -40.6 -13.1 4.4 12.5 92 92 A S G 3 S+ 0 0 91 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.672 90.7 67.4 -59.4 -18.5 -12.5 4.7 8.7 93 93 A R G < S+ 0 0 145 -3,-3.1 -5,-0.4 -5,-0.2 -1,-0.3 0.340 77.2 136.7 -85.8 5.7 -11.7 1.0 8.7 94 94 A G < - 0 0 22 -3,-2.0 2,-0.5 -7,-0.2 -7,-0.2 -0.039 47.4-142.8 -56.1 156.5 -15.3 0.1 9.6 95 95 A T E -G 86 0A 55 -9,-2.2 -9,-1.4 -7,-0.1 -1,-0.1 -0.980 21.2-124.9-124.7 113.1 -17.3 -2.7 7.9 96 96 A A E -G 85 0A 41 -2,-0.5 2,-0.4 -11,-0.2 -11,-0.2 -0.000 32.2-123.8 -49.0 167.5 -21.0 -2.1 7.3 97 97 A M - 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