==== 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 2BSC . COMPND 2 MOLECULE: F17A-G ADHESIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR L.BUTS,A.WELLENS,I.VAN MOLLE,L.WYNS,R.LORIS,M.LAHMANN, . 164 4 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7629.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 104 63.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 40.2 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 1.2 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 . 11 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 5.5 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 . 0 3 2 1 1 1 1 2 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 71 0, 0.0 42,-1.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 167.0 49.0 42.2 22.1 2 2 A V E +A 42 0A 21 40,-0.2 2,-0.3 2,-0.0 40,-0.2 -0.993 360.0 177.7-147.8 139.2 45.9 40.1 21.9 3 3 A S E -A 41 0A 65 38,-1.9 38,-2.9 -2,-0.3 2,-0.6 -0.994 31.6-121.4-140.2 143.3 43.2 39.1 24.4 4 4 A F E +A 40 0A 50 -2,-0.3 36,-0.3 36,-0.2 151,-0.1 -0.766 38.8 162.2 -85.7 124.0 40.1 37.0 24.1 5 5 A I + 0 0 78 34,-2.6 35,-0.2 -2,-0.6 -1,-0.1 0.409 46.2 71.8-124.3 0.4 37.1 39.2 25.1 6 6 A G S S- 0 0 19 33,-1.8 2,-0.3 1,-0.1 33,-0.1 0.067 84.6 -79.4 -97.0-152.0 34.1 37.5 23.7 7 7 A S - 0 0 68 1,-0.1 -1,-0.1 151,-0.1 -2,-0.1 -0.900 18.5-142.0-118.3 147.4 32.1 34.3 24.6 8 8 A T S S+ 0 0 50 -2,-0.3 150,-3.9 1,-0.2 2,-0.5 0.846 90.9 49.2 -74.7 -37.4 32.9 30.7 23.7 9 9 A E E S-h 158 0B 111 148,-0.2 2,-0.4 150,-0.0 150,-0.2 -0.929 71.6-178.3-110.1 124.2 29.3 29.6 23.0 10 10 A N E -h 159 0B 8 148,-1.7 150,-2.8 -2,-0.5 2,-0.4 -0.975 18.9-139.1-129.9 133.6 27.2 31.8 20.7 11 11 A D E -h 160 0B 67 -2,-0.4 2,-0.5 148,-0.2 150,-0.2 -0.730 14.7-142.3 -92.8 134.6 23.6 31.5 19.6 12 12 A V E -h 161 0B 0 148,-3.0 150,-2.3 -2,-0.4 22,-0.2 -0.845 63.1 -4.6-100.8 121.1 22.6 32.2 16.0 13 13 A G S S- 0 0 11 20,-2.5 19,-0.2 -2,-0.5 2,-0.2 0.139 99.8 -54.0 84.1 158.8 19.3 34.0 15.3 14 14 A P > - 0 0 59 0, 0.0 3,-1.5 0, 0.0 2,-0.1 -0.481 69.5 -98.1 -69.6 138.5 16.6 35.1 17.7 15 15 A S T 3 S- 0 0 84 1,-0.3 149,-0.1 -2,-0.2 -2,-0.1 -0.359 102.8 -1.4 -60.8 127.7 15.4 32.1 19.9 16 16 A L T 3 S+ 0 0 103 147,-2.3 -1,-0.3 1,-0.2 148,-0.3 0.839 88.9 168.6 61.6 37.8 12.2 30.7 18.4 17 17 A G E < -l 164 0C 14 -3,-1.5 148,-2.5 146,-0.8 2,-0.4 -0.487 25.3-138.2 -77.9 153.4 11.9 33.1 15.6 18 18 A S E -l 165 0C 71 146,-0.2 2,-0.4 -2,-0.1 148,-0.2 -0.916 17.3-170.3-115.3 142.8 9.4 32.4 12.8 19 19 A Y E l 166 0C 22 146,-2.2 148,-3.0 -2,-0.4 145,-0.0 -0.996 360.0 360.0-136.5 136.5 10.0 32.8 9.1 20 20 A S 0 0 116 -2,-0.4 146,-0.0 146,-0.2 -2,-0.0 -0.693 360.0 360.0-108.0 360.0 7.7 32.7 6.1 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 0 126 0, 0.0 2,-0.1 0, 0.0 102,-0.1 0.000 360.0 360.0 360.0 137.5 12.5 21.5 -3.9 23 29 A P + 0 0 65 0, 0.0 2,-0.4 0, 0.0 101,-0.2 0.578 360.0 178.5 -80.1 164.5 14.7 22.4 -2.4 24 30 A F E -B 123 0A 88 99,-1.3 99,-2.4 -2,-0.1 2,-0.3 -0.996 23.8-127.2-135.8 136.0 13.7 26.0 -2.0 25 31 A V E B 122 0A 63 -2,-0.4 97,-0.2 97,-0.2 51,-0.0 -0.638 360.0 360.0 -85.1 134.8 15.4 28.8 -0.1 26 32 A Y 0 0 38 95,-2.6 3,-0.2 -2,-0.3 -1,-0.1 -0.271 360.0 360.0 -81.3 360.0 13.7 30.9 2.5 27 ! 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 28 34 A T > 0 0 37 0, 0.0 3,-2.3 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 4.9 15.7 35.6 5.8 29 35 A R T 3 - 0 0 160 1,-0.3 3,-0.2 -3,-0.2 90,-0.1 -0.238 360.0 -25.7 52.4-125.9 18.5 38.1 5.1 30 36 A N T 3 S+ 0 0 41 1,-0.2 -1,-0.3 88,-0.1 3,-0.2 0.275 110.3 102.8-102.2 10.5 20.6 38.7 8.2 31 37 A K S < S+ 0 0 127 -3,-2.3 2,-1.4 1,-0.2 -1,-0.2 0.900 75.3 56.1 -61.3 -43.0 17.8 37.8 10.7 32 38 A I S S+ 0 0 1 87,-0.4 87,-2.4 -4,-0.3 2,-0.3 -0.618 94.6 94.3 -92.6 79.7 19.2 34.3 11.5 33 39 A G E - C 0 118A 12 -2,-1.4 -20,-2.5 85,-0.2 2,-0.4 -0.930 63.7-126.2-155.1 177.5 22.7 35.2 12.6 34 40 A Y E + C 0 117A 39 83,-2.7 83,-2.5 -2,-0.3 2,-0.4 -0.999 26.7 179.7-132.5 132.6 25.2 36.1 15.3 35 41 A Q E + C 0 116A 93 -2,-0.4 2,-0.3 81,-0.2 81,-0.2 -0.999 9.9 164.9-138.9 133.3 27.3 39.2 15.2 36 42 A N E - C 0 115A 34 79,-2.3 79,-1.9 -2,-0.4 3,-0.2 -0.862 18.1-167.9-149.7 110.4 29.9 40.5 17.6 37 43 A A E S+ 0 0 42 -2,-0.3 2,-0.5 77,-0.3 3,-0.2 0.689 83.7 55.7 -71.2 -14.9 32.4 43.2 16.7 38 44 A N E + 0 0 76 1,-0.1 76,-0.2 74,-0.1 -1,-0.2 -0.734 53.6 124.3-126.6 84.1 34.4 42.5 19.8 39 45 A V E S+ 0 0 3 74,-2.4 -34,-2.6 -2,-0.5 -33,-1.8 0.702 83.0 21.7-106.6 -30.0 35.6 38.9 20.3 40 46 A W E S-AC 4 113A 0 73,-1.7 73,-2.7 -36,-0.3 2,-0.5 -0.981 70.3-138.3-136.9 146.0 39.4 39.7 20.6 41 47 A H E -AC 3 112A 75 -38,-2.9 -38,-1.9 -2,-0.3 2,-0.3 -0.918 29.1-174.5-103.9 130.6 41.1 42.9 21.6 42 48 A I E +AC 2 111A 1 69,-2.3 69,-2.8 -2,-0.5 2,-0.3 -0.933 7.8 162.4-128.4 153.2 44.2 43.5 19.4 43 49 A S E > + C 0 110A 16 -42,-1.9 3,-1.1 -2,-0.3 67,-0.2 -0.975 42.8 31.6-159.2 171.2 46.9 46.1 19.5 44 50 A K T 3 S- 0 0 143 65,-2.1 63,-0.3 -2,-0.3 -1,-0.2 0.880 126.2 -34.2 39.1 69.4 50.4 47.3 18.4 45 51 A G T 3 S+ 0 0 28 61,-2.2 -1,-0.2 60,-0.4 62,-0.2 0.489 86.9 160.2 74.8 5.1 50.8 45.7 15.0 46 52 A F < - 0 0 12 -3,-1.1 59,-2.3 60,-0.3 2,-0.5 -0.397 25.3-154.9 -63.1 130.5 48.8 42.5 15.7 47 53 A a E +I 104 0B 2 98,-0.5 98,-1.7 57,-0.2 2,-0.3 -0.937 20.8 167.6-111.1 127.6 47.7 40.9 12.4 48 54 A V E +IJ 103 144B 1 55,-2.8 55,-2.0 -2,-0.5 2,-0.2 -0.996 16.0 168.9-148.1 145.2 44.7 38.7 12.4 49 55 A G E - J 0 143B 0 94,-1.9 94,-2.7 -2,-0.3 2,-0.3 -0.571 30.5-110.1-129.5-166.2 42.2 36.9 10.1 50 56 A L E -IJ 100 142B 0 50,-2.1 49,-2.3 92,-0.3 50,-1.4 -0.996 14.6-162.6-140.5 143.4 39.5 34.2 10.6 51 57 A D E -IJ 98 141B 17 90,-2.6 90,-2.2 -2,-0.3 2,-0.3 -0.896 15.4-160.5-116.5 149.6 39.0 30.6 9.7 52 58 A G E -IJ 97 140B 0 45,-3.1 45,-2.6 -2,-0.3 2,-0.3 -0.958 8.3-171.7-132.6 151.8 35.6 28.9 9.8 53 59 A K E - J 0 139B 46 86,-2.6 86,-2.3 -2,-0.3 2,-0.5 -0.990 9.7-155.7-145.1 132.8 34.4 25.3 10.0 54 60 A V E - J 0 138B 0 39,-0.4 84,-0.3 41,-0.4 83,-0.1 -0.934 4.4-172.0-109.2 129.8 30.9 23.8 9.7 55 61 A D + 0 0 76 82,-2.5 83,-0.2 -2,-0.5 -1,-0.1 0.513 51.6 108.0 -97.8 -7.5 30.3 20.4 11.4 56 62 A L S S- 0 0 12 81,-0.9 14,-0.1 1,-0.1 -2,-0.1 -0.383 81.5 -97.4 -69.2 148.8 26.8 19.8 10.0 57 63 A P - 0 0 78 0, 0.0 12,-3.0 0, 0.0 2,-0.5 -0.371 33.5-123.2 -67.7 144.6 26.5 17.1 7.3 58 64 A V E +D 68 0A 59 10,-0.2 10,-0.2 1,-0.1 3,-0.1 -0.794 31.6 174.7 -89.3 125.9 26.5 18.4 3.7 59 65 A V E - 0 0 80 8,-3.0 2,-0.3 -2,-0.5 9,-0.2 0.394 62.6 -39.4-111.5 1.8 23.3 17.1 2.0 60 66 A G E -D 67 0A 31 7,-0.9 7,-2.5 2,-0.0 2,-0.3 -0.973 60.6-107.7 167.2-164.4 23.7 19.0 -1.3 61 67 A S E -D 66 0A 84 5,-0.3 2,-0.4 -2,-0.3 5,-0.2 -0.990 9.4-156.5-156.1 156.3 24.9 22.3 -2.7 62 68 A L E > S-D 65 0A 51 3,-3.0 3,-1.7 -2,-0.3 -2,-0.0 -0.971 77.2 -22.0-140.2 119.8 23.5 25.5 -4.3 63 69 A D T 3 S- 0 0 167 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 0.834 130.3 -41.3 48.8 43.1 25.5 27.8 -6.6 64 70 A G T 3 S+ 0 0 70 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.412 120.3 95.4 92.0 -3.9 28.9 26.6 -5.2 65 71 A Q E < S-D 62 0A 24 -3,-1.7 -3,-3.0 27,-0.1 -1,-0.2 -0.944 74.0-104.9-124.7 148.1 28.0 26.4 -1.6 66 72 A S E -D 61 0A 10 25,-1.1 2,-0.6 -2,-0.4 12,-0.5 -0.226 14.0-140.2 -69.2 150.5 26.9 23.5 0.6 67 73 A I E -D 60 0A 8 -7,-2.5 -8,-3.0 10,-0.1 -7,-0.9 -0.970 26.2-151.2-105.2 117.7 23.4 22.9 1.9 68 74 A Y E -DE 58 76A 0 8,-3.0 8,-2.3 -2,-0.6 2,-0.3 -0.787 13.1-122.8 -94.6 136.7 24.0 21.6 5.5 69 75 A G E + E 0 75A 9 -12,-3.0 6,-0.2 -2,-0.4 3,-0.1 -0.593 38.7 159.5 -86.4 139.6 21.4 19.3 6.9 70 76 A L S S- 0 0 35 4,-2.3 2,-0.2 1,-0.6 5,-0.2 0.686 73.9 -13.0-114.4 -55.1 19.4 19.8 10.1 71 77 A T S S- 0 0 55 3,-2.4 -1,-0.6 61,-0.0 53,-0.1 -0.781 79.4 -88.8-137.9-179.7 16.4 17.5 9.7 72 78 A E S S+ 0 0 165 -2,-0.2 3,-0.1 1,-0.2 -1,-0.0 0.864 130.1 35.9 -62.3 -33.5 14.9 15.5 6.8 73 79 A E S S+ 0 0 64 51,-0.2 51,-3.1 1,-0.1 52,-0.9 0.738 115.3 54.5 -92.0 -27.6 12.9 18.6 6.0 74 80 A V E + F 0 123A 1 49,-0.2 -3,-2.4 50,-0.2 -4,-2.3 -0.933 50.9 162.8-124.4 136.9 15.2 21.5 6.8 75 81 A G E -EF 69 122A 0 47,-3.0 47,-2.1 -2,-0.4 2,-0.3 -0.700 22.9-130.7-129.1-178.3 18.7 22.4 5.7 76 82 A L E -EF 68 121A 0 -8,-2.3 -8,-3.0 45,-0.2 2,-0.4 -0.994 9.6-146.6-143.9 148.8 20.9 25.6 5.8 77 83 A L E - F 0 120A 10 43,-2.0 43,-1.8 -2,-0.3 2,-0.4 -0.907 37.5-156.3-104.3 137.5 23.0 27.8 3.6 78 84 A I E - F 0 119A 0 -12,-0.5 13,-2.7 -2,-0.4 2,-0.4 -0.966 18.8-172.0-130.3 140.6 25.8 29.1 5.9 79 85 A W E +GF 90 118A 45 39,-3.0 39,-2.5 -2,-0.4 2,-0.3 -0.972 5.1 178.7-126.8 140.8 28.1 32.2 5.9 80 86 A M E +GF 89 117A 0 9,-2.0 9,-3.1 -2,-0.4 2,-0.3 -0.985 26.6 98.6-138.2 146.4 31.0 33.0 8.3 81 87 A G E - F 0 116A 0 35,-1.9 35,-2.2 -2,-0.3 19,-0.2 -0.985 62.6 -15.2 171.7-161.1 33.3 35.9 8.3 82 88 A D S S- 0 0 26 17,-0.5 33,-0.3 5,-0.5 5,-0.2 -0.062 80.1 -81.1 -62.6 169.5 34.3 39.3 9.7 83 89 A T S S+ 0 0 23 32,-0.2 2,-0.3 -46,-0.1 32,-0.1 0.843 107.7 75.2 -40.5 -59.8 31.9 41.4 11.8 84 90 A K S > S- 0 0 124 1,-0.1 3,-2.6 32,-0.1 4,-0.2 -0.446 80.6-133.4 -67.6 127.1 29.7 43.0 9.0 85 91 A Y G > S+ 0 0 39 1,-0.3 3,-2.0 -2,-0.3 -1,-0.1 0.799 102.2 62.4 -49.2 -37.4 27.3 40.6 7.5 86 92 A S G 3 S+ 0 0 94 1,-0.3 -1,-0.3 -5,-0.0 -2,-0.1 0.600 95.5 63.7 -68.6 -8.2 28.1 41.5 3.9 87 93 A R G < S+ 0 0 125 -3,-2.6 -5,-0.5 -5,-0.2 -1,-0.3 0.391 77.5 130.3 -92.6 1.0 31.6 40.3 4.5 88 94 A G < - 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