==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LECTIN 22-JUN-03 1OIO . COMPND 2 MOLECULE: FIMBRIAL LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.C.MERCKEL,J.TANSKANEN,S.EDELMAN,B.WESTERLUND-WIKSTROM, . 356 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15379.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 137 38.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 2 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 . 29 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 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 0 2 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 PARALLEL BRIDGES PER LADDER . 0 4 4 2 4 2 3 3 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 2 0 2 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 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 48,-2.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 161.3 39.4 22.8 11.6 2 2 A V E +A 48 0A 20 46,-0.2 2,-0.3 154,-0.1 46,-0.2 -0.994 360.0 175.3-144.8 147.0 36.0 24.6 11.7 3 3 A S E -A 47 0A 43 44,-2.0 44,-2.5 -2,-0.3 2,-0.5 -0.981 31.8-112.5-148.7 155.7 33.3 25.5 9.2 4 4 A F E +A 46 0A 49 -2,-0.3 42,-0.3 42,-0.2 157,-0.1 -0.812 37.9 158.4 -95.7 127.1 29.9 27.1 9.3 5 5 A I + 0 0 57 40,-3.1 41,-0.2 -2,-0.5 -1,-0.1 0.244 49.8 76.0-130.3 10.7 26.9 24.9 8.4 6 6 A G S S- 0 0 20 39,-1.4 2,-0.4 1,-0.1 39,-0.1 -0.003 84.6 -77.2-102.9-150.3 23.9 26.6 10.0 7 7 A S - 0 0 61 1,-0.1 158,-0.1 158,-0.1 -2,-0.1 -0.926 19.7-147.7-118.5 142.5 21.8 29.6 9.3 8 8 A T S S+ 0 0 54 -2,-0.4 157,-4.2 1,-0.2 2,-0.5 0.874 89.8 44.6 -73.9 -41.2 22.7 33.3 9.9 9 9 A E E S-h 165 0B 121 155,-0.2 2,-0.4 157,-0.1 157,-0.2 -0.928 73.0-179.2-110.0 127.9 19.1 34.4 10.6 10 10 A N E -h 166 0B 7 155,-1.6 157,-3.0 -2,-0.5 2,-0.3 -0.985 20.1-136.1-133.0 133.9 17.0 32.3 12.9 11 11 A D E -h 167 0B 80 -2,-0.4 2,-0.6 155,-0.2 157,-0.2 -0.638 14.1-144.7 -88.2 142.2 13.4 32.7 14.1 12 12 A V E -h 168 0B 0 155,-2.7 157,-2.2 -2,-0.3 28,-0.2 -0.924 62.7 -6.5-109.2 119.6 12.4 32.0 17.7 13 13 A G S S- 0 0 11 26,-2.3 25,-0.2 -2,-0.6 2,-0.1 0.117 99.5 -50.0 83.5 160.3 9.0 30.4 18.4 14 14 A P > - 0 0 69 0, 0.0 3,-1.4 0, 0.0 2,-0.2 -0.442 69.4 -96.6 -69.1 141.7 6.1 29.6 16.0 15 15 A S T 3 S- 0 0 77 1,-0.3 156,-0.1 -2,-0.1 -2,-0.1 -0.373 99.7 -9.9 -62.5 124.7 5.1 32.4 13.7 16 16 A Q T 3 S+ 0 0 142 154,-1.5 -1,-0.3 -2,-0.2 155,-0.3 0.856 90.5 171.0 53.9 41.0 2.1 34.4 15.1 17 17 A G E < -l 171 0C 15 -3,-1.4 155,-2.2 153,-0.9 2,-0.4 -0.397 26.0-135.3 -75.8 157.5 1.5 31.8 17.9 18 18 A S E -l 172 0C 81 153,-0.2 2,-0.4 -2,-0.1 155,-0.2 -0.959 17.8-169.5-118.0 137.2 -1.0 32.6 20.6 19 19 A Y E -l 173 0C 32 153,-2.7 155,-3.0 -2,-0.4 2,-0.4 -0.991 3.0-161.9-128.8 133.2 -0.4 32.0 24.2 20 20 A S E +l 174 0C 94 -2,-0.4 2,-0.3 153,-0.2 155,-0.2 -0.864 16.8 159.8-113.0 146.1 -2.9 32.2 27.0 21 21 A S E -l 175 0C 26 153,-1.9 155,-2.4 -2,-0.4 2,-0.4 -0.981 26.3-142.3-157.0 163.5 -2.3 32.6 30.7 22 22 A T E +l 176 0C 81 -2,-0.3 2,-0.3 153,-0.2 155,-0.2 -0.999 27.3 160.3-132.4 134.3 -4.0 33.7 33.8 23 23 A H E -l 177 0C 9 153,-2.2 155,-2.1 -2,-0.4 2,-0.2 -0.989 42.5-100.0-151.4 156.5 -2.4 35.6 36.7 24 24 A A > - 0 0 41 -2,-0.3 3,-1.7 153,-0.2 153,-0.0 -0.504 33.2-124.5 -74.1 146.0 -3.3 37.7 39.6 25 25 A M T 3 S+ 0 0 57 153,-2.4 -1,-0.1 1,-0.3 3,-0.0 0.847 113.5 56.6 -61.1 -30.7 -2.9 41.4 38.9 26 26 A D T 3 S+ 0 0 131 152,-0.2 2,-1.0 1,-0.2 -1,-0.3 0.542 87.1 84.1 -78.5 -4.5 -0.6 41.5 42.0 27 27 A N S < S+ 0 0 82 -3,-1.7 -1,-0.2 3,-0.0 -3,-0.0 -0.599 74.5 179.7 -99.3 72.1 1.7 38.8 40.5 28 28 A L + 0 0 49 -2,-1.0 2,-0.2 1,-0.1 101,-0.1 -0.974 55.6 38.9-132.1 145.2 3.9 41.0 38.4 29 29 A P S S- 0 0 48 0, 0.0 2,-0.5 0, 0.0 100,-0.2 0.506 86.1-166.0 -67.9 145.5 6.2 40.7 36.5 30 30 A F E -B 128 0A 30 98,-1.7 98,-2.7 -2,-0.2 2,-0.6 -0.929 9.8-150.4-111.4 124.2 4.5 37.5 35.4 31 31 A V E -B 127 0A 16 -2,-0.5 96,-0.2 96,-0.2 2,-0.1 -0.808 17.9-129.1 -95.7 122.7 6.3 35.0 33.2 32 32 A Y - 0 0 2 94,-2.5 2,-1.6 -2,-0.6 3,-0.1 -0.427 17.9-124.2 -67.7 139.4 4.2 32.9 30.8 33 33 A N + 0 0 63 1,-0.2 -1,-0.1 174,-0.1 173,-0.1 -0.629 58.3 140.0 -87.5 82.9 4.7 29.2 31.1 34 34 A T > - 0 0 7 -2,-1.6 3,-2.2 1,-0.3 4,-0.4 0.285 42.5-156.3-105.9 7.8 5.7 28.5 27.4 35 35 A G T 3 - 0 0 17 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 -0.267 63.6 -35.0 55.0-130.6 8.4 26.0 28.2 36 36 A Y T 3 S+ 0 0 63 1,-0.1 -1,-0.3 87,-0.1 -23,-0.1 0.199 111.9 106.8-106.4 12.9 10.9 25.8 25.4 37 37 A N < + 0 0 121 -3,-2.2 2,-1.5 1,-0.2 -2,-0.1 0.835 69.7 59.3 -63.6 -34.5 8.2 26.3 22.8 38 38 A I S S+ 0 0 1 86,-0.4 86,-2.5 -4,-0.4 2,-0.3 -0.634 96.9 88.8 -94.6 76.9 9.3 29.9 22.0 39 39 A G E - C 0 123A 10 -2,-1.5 -26,-2.3 84,-0.2 2,-0.3 -0.868 64.7-127.2-153.5-173.7 12.7 29.0 20.9 40 40 A Y E + C 0 122A 40 82,-2.7 82,-2.5 -2,-0.3 2,-0.3 -0.985 24.7 178.0-144.0 142.9 15.1 27.9 18.2 41 41 A Q E + C 0 121A 87 -2,-0.3 2,-0.3 80,-0.2 80,-0.2 -0.996 9.9 169.8-151.1 143.2 17.5 25.0 18.3 42 42 A N E - C 0 120A 39 78,-2.2 78,-2.1 -2,-0.3 3,-0.2 -0.860 19.4-162.5-156.7 117.6 20.0 23.4 15.9 43 43 A A E S+ 0 0 43 -2,-0.3 2,-0.5 76,-0.3 3,-0.2 0.648 86.8 56.8 -74.8 -12.6 22.5 20.7 16.8 44 44 A N E + 0 0 77 1,-0.1 75,-0.2 73,-0.1 -1,-0.2 -0.741 54.5 122.1-127.4 86.9 24.5 21.5 13.6 45 45 A V E S+ 0 0 3 73,-2.2 -40,-3.1 -2,-0.5 -39,-1.4 0.719 81.0 23.7-109.5 -34.7 25.7 25.1 13.2 46 46 A W E -AC 4 118A 0 72,-2.0 72,-2.6 -42,-0.3 2,-0.5 -0.980 68.3-140.8-132.9 144.5 29.4 24.5 12.9 47 47 A R E -AC 3 117A 116 -44,-2.5 -44,-2.0 -2,-0.4 2,-0.3 -0.908 29.4-176.8-102.4 130.5 31.4 21.5 11.8 48 48 A I E +AC 2 116A 0 68,-2.0 68,-2.9 -2,-0.5 2,-0.3 -0.943 9.5 151.7-130.9 154.8 34.5 21.0 13.9 49 49 A S E > + C 0 115A 27 -48,-2.0 3,-1.5 -2,-0.3 66,-0.2 -0.961 41.5 47.8-163.5 178.2 37.4 18.5 13.9 50 50 A G T 3 S- 0 0 51 64,-0.6 63,-0.2 -2,-0.3 -1,-0.1 0.868 124.8 -41.5 43.7 59.0 41.0 17.7 14.6 51 51 A G T 3 S+ 0 0 39 61,-2.0 -1,-0.3 1,-0.2 61,-0.1 0.490 87.4 161.4 75.3 4.1 41.3 19.0 18.1 52 52 A F < - 0 0 10 -3,-1.5 59,-2.5 60,-0.3 2,-0.5 -0.342 25.2-154.0 -61.1 135.1 39.3 22.2 17.6 53 53 A a E +I 110 0B 8 99,-0.5 99,-1.7 57,-0.3 2,-0.3 -0.953 21.2 169.4-113.0 128.7 38.1 23.7 20.9 54 54 A V E +IJ 109 151B 1 55,-2.7 55,-1.9 -2,-0.5 2,-0.2 -0.996 15.0 169.3-147.1 144.5 34.9 25.8 20.9 55 55 A G E - J 0 150B 0 95,-2.0 95,-2.5 -2,-0.3 2,-0.4 -0.550 30.6-108.6-129.0-165.7 32.4 27.4 23.2 56 56 A L E -IJ 106 149B 0 50,-2.0 49,-2.9 93,-0.3 50,-1.5 -0.997 16.5-165.3-138.8 140.4 29.6 29.9 22.7 57 57 A D E -IJ 104 148B 16 91,-2.8 91,-2.6 -2,-0.4 2,-0.4 -0.914 13.9-157.6-117.0 147.9 28.9 33.6 23.6 58 58 A G E -IJ 103 147B 0 45,-3.3 45,-3.0 -2,-0.4 2,-0.4 -0.951 6.9-169.2-127.9 147.6 25.5 35.2 23.5 59 59 A K E - J 0 146B 44 87,-2.9 87,-2.4 -2,-0.4 2,-0.5 -0.997 8.0-157.1-138.2 131.4 24.4 38.8 23.2 60 60 A V E - J 0 145B 0 39,-0.4 85,-0.3 -2,-0.4 84,-0.1 -0.926 4.6-172.3-107.3 130.0 21.0 40.3 23.7 61 61 A D + 0 0 81 83,-2.7 84,-0.2 -2,-0.5 -1,-0.1 0.526 52.1 107.3 -98.2 -8.1 20.3 43.6 22.0 62 62 A L S S- 0 0 11 82,-0.9 14,-0.1 1,-0.1 -2,-0.1 -0.352 83.2 -97.2 -66.7 149.8 16.9 44.3 23.5 63 63 A P - 0 0 83 0, 0.0 12,-2.8 0, 0.0 2,-0.6 -0.415 33.0-118.3 -69.6 148.1 17.0 47.1 26.1 64 64 A V E +D 74 0A 63 10,-0.2 10,-0.2 1,-0.1 3,-0.1 -0.787 39.4 168.1 -85.8 119.5 17.1 45.9 29.7 65 65 A V E - 0 0 81 8,-2.8 2,-0.3 -2,-0.6 9,-0.2 0.373 62.2 -20.4-113.1 2.1 13.9 47.2 31.3 66 66 A G E -D 73 0A 26 7,-1.1 7,-2.5 2,-0.0 2,-0.3 -0.983 59.6-110.7 177.1-175.6 14.2 45.2 34.5 67 67 A S E -D 72 0A 86 5,-0.3 2,-0.3 -2,-0.3 5,-0.2 -0.990 19.1-173.1-142.2 145.9 15.7 42.2 36.3 68 68 A L E > S-D 71 0A 29 3,-3.4 3,-1.7 -2,-0.3 -2,-0.0 -0.946 71.5 -23.0-145.4 119.6 14.2 39.0 37.6 69 69 A D T 3 S- 0 0 101 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.872 129.1 -44.8 49.5 43.2 15.9 36.4 39.8 70 70 A G T 3 S+ 0 0 67 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.533 122.1 93.4 83.0 5.1 19.3 37.5 38.6 71 71 A Q E < S-D 68 0A 8 -3,-1.7 -3,-3.4 27,-0.0 -1,-0.2 -0.921 77.3 -98.6-129.2 157.7 18.5 37.8 34.9 72 72 A S E -D 67 0A 10 25,-1.6 2,-0.6 -2,-0.3 12,-0.5 -0.411 16.6-143.3 -76.4 149.0 17.4 40.7 32.7 73 73 A I E -D 66 0A 9 -7,-2.5 -8,-2.8 10,-0.1 -7,-1.1 -0.971 27.6-150.6-105.2 114.8 13.9 41.4 31.7 74 74 A Y E -DE 64 82A 0 8,-2.9 8,-1.7 -2,-0.6 2,-0.3 -0.702 13.2-115.9 -91.3 145.5 14.3 42.7 28.1 75 75 A G E + E 0 81A 13 -12,-2.8 6,-0.2 -2,-0.3 3,-0.1 -0.642 44.4 151.1 -90.7 137.4 11.8 45.1 26.7 76 76 A L S S- 0 0 35 4,-1.8 2,-0.3 1,-0.6 5,-0.2 0.627 76.2 -9.9-118.5 -57.3 9.5 44.6 23.8 77 77 A T S S- 0 0 44 3,-2.5 -1,-0.6 62,-0.0 62,-0.0 -0.828 77.4 -93.4-136.3 176.8 6.5 46.9 24.6 78 78 A E S S+ 0 0 134 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.825 128.2 32.7 -62.5 -29.5 5.4 48.9 27.6 79 79 A E S S+ 0 0 71 50,-0.1 50,-3.3 1,-0.1 2,-0.5 0.671 115.1 60.5-100.2 -21.8 3.3 46.0 28.7 80 80 A V E + F 0 128A 0 48,-0.2 -3,-2.5 49,-0.1 -4,-1.8 -0.937 54.1 171.1-120.9 131.1 5.4 43.0 27.5 81 81 A G E -EF 75 127A 0 46,-3.3 46,-2.2 -2,-0.5 2,-0.3 -0.545 19.8-133.1-117.1-174.7 8.9 42.0 28.4 82 82 A L E -EF 74 126A 0 -8,-1.7 -8,-2.9 44,-0.2 2,-0.4 -0.995 4.8-150.9-150.5 137.4 11.0 38.9 27.7 83 83 A L E - F 0 125A 0 42,-2.5 42,-1.8 -2,-0.3 2,-0.4 -0.895 28.7-159.2-102.5 137.8 13.3 36.4 29.6 84 84 A I E - F 0 124A 0 -12,-0.5 13,-3.0 -2,-0.4 2,-0.4 -0.954 18.0-175.0-129.9 143.1 16.0 34.9 27.5 85 85 A W E +GF 96 123A 17 38,-2.3 38,-2.0 -2,-0.4 2,-0.3 -0.993 6.8 179.1-131.6 136.1 18.3 31.9 27.5 86 86 A M E +GF 95 122A 0 9,-2.1 9,-3.0 -2,-0.4 2,-0.3 -0.989 25.6 100.4-136.1 144.7 21.1 31.1 25.1 87 87 A G E -GF 94 121A 0 34,-2.2 34,-2.0 -2,-0.3 7,-0.2 -0.962 61.2 -14.1 176.1-157.7 23.5 28.1 25.1 88 88 A D S S- 0 0 18 5,-0.5 32,-0.2 17,-0.5 5,-0.2 -0.040 81.7 -79.0 -64.1 173.1 24.5 24.7 23.7 89 89 A T S S+ 0 0 24 31,-0.1 2,-0.3 -46,-0.1 31,-0.1 0.844 109.9 76.8 -43.7 -54.3 22.0 22.6 21.6 90 90 A N S > S- 0 0 92 1,-0.2 3,-2.6 31,-0.1 4,-0.1 -0.495 78.1-139.0 -68.3 126.0 19.9 21.2 24.4 91 91 A Y G > S+ 0 0 48 -2,-0.3 3,-2.2 1,-0.3 -1,-0.2 0.811 102.0 66.5 -51.3 -34.7 17.5 23.8 25.7 92 92 A S G 3 S+ 0 0 74 1,-0.3 -1,-0.3 -5,-0.0 -3,-0.1 0.712 95.2 58.4 -61.9 -20.9 18.2 22.6 29.2 93 93 A R G < S+ 0 0 135 -3,-2.6 -5,-0.5 -5,-0.2 -1,-0.3 0.359 78.5 133.2 -90.7 6.1 21.7 23.9 28.7 94 94 A G E < -G 87 0A 19 -3,-2.2 2,-0.5 -7,-0.2 -7,-0.3 -0.292 51.3-137.9 -60.8 138.2 20.4 27.4 28.1 95 95 A T E -G 86 0A 50 -9,-3.0 -9,-2.1 10,-0.1 2,-0.1 -0.865 21.2-114.8-101.5 127.2 22.2 30.2 30.0 96 96 A A E -G 85 0A 46 -2,-0.5 2,-0.3 -11,-0.2 -11,-0.2 -0.391 35.4-131.7 -61.8 128.4 20.1 33.0 31.5 97 97 A M + 0 0 1 -13,-3.0 -25,-1.6 -2,-0.1 2,-0.3 -0.646 28.6 173.3 -91.5 139.1 20.9 36.3 29.7 98 98 A S - 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