==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 20-DEC-02 1O9W . COMPND 2 MOLECULE: F17A-G FIMBRIAL ADHESIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR L.BUTS,E.DE GENST,R.LORIS,S.OSCARSON,M.LAHMANN,J.MESSENS, . 169 3 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7655.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 109 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 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 . 13 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 5.3 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 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 3 1 2 1 1 0 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 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 74 0, 0.0 43,-2.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 172.1 49.4 42.3 21.4 2 2 A V E +A 43 0A 23 41,-0.2 2,-0.3 150,-0.1 41,-0.2 -0.991 360.0 172.8-151.0 141.8 46.2 40.2 21.5 3 3 A S E -A 42 0A 52 39,-1.9 39,-2.8 -2,-0.3 2,-0.5 -0.990 35.2-112.2-146.6 149.2 43.8 39.1 24.1 4 4 A F E +A 41 0A 48 -2,-0.3 37,-0.3 37,-0.2 154,-0.1 -0.731 39.5 161.3 -82.8 127.9 40.5 37.2 23.9 5 5 A I + 0 0 79 35,-2.9 36,-0.2 -2,-0.5 -1,-0.1 0.383 49.0 69.5-128.9 3.1 37.5 39.4 24.9 6 6 A G S S- 0 0 19 34,-1.6 2,-0.4 1,-0.1 34,-0.1 0.009 85.2 -73.6-103.6-151.0 34.4 37.6 23.6 7 7 A S - 0 0 67 1,-0.1 154,-0.1 154,-0.1 -1,-0.1 -0.882 18.1-143.6-116.1 145.8 32.5 34.5 24.4 8 8 A T S S+ 0 0 56 -2,-0.4 153,-3.6 152,-0.2 2,-0.5 0.862 92.2 46.0 -71.8 -39.2 33.3 30.8 23.7 9 9 A E E S-h 161 0B 110 151,-0.2 2,-0.4 153,-0.0 153,-0.2 -0.933 72.0-178.6-111.8 126.8 29.7 29.8 23.0 10 10 A N E -h 162 0B 6 151,-1.6 153,-2.4 -2,-0.5 2,-0.4 -0.981 18.1-139.2-128.8 135.6 27.7 31.9 20.7 11 11 A D E -h 163 0B 63 -2,-0.4 2,-0.5 151,-0.2 153,-0.2 -0.787 13.3-142.9 -97.5 133.9 24.0 31.6 19.5 12 12 A V E -h 164 0B 0 151,-3.2 153,-2.5 -2,-0.4 23,-0.3 -0.808 62.2 -3.4 -97.5 122.8 23.0 32.3 15.9 13 13 A G S S- 0 0 10 21,-2.6 2,-0.3 -2,-0.5 20,-0.2 0.121 97.7 -57.4 84.9 158.7 19.7 34.0 15.3 14 14 A P > - 0 0 67 0, 0.0 3,-1.9 0, 0.0 -2,-0.1 -0.581 65.0-109.2 -73.5 132.9 16.9 35.1 17.6 15 15 A S T 3 S+ 0 0 72 -2,-0.3 152,-0.2 1,-0.3 3,-0.1 -0.338 101.3 11.2 -61.2 140.9 15.7 32.1 19.6 16 16 A L T 3 S+ 0 0 70 150,-1.9 -1,-0.3 1,-0.2 151,-0.2 0.661 89.4 160.7 66.0 15.4 12.3 30.9 18.5 17 17 A G E < -l 167 0C 13 -3,-1.9 151,-2.4 149,-0.8 2,-0.4 -0.358 27.8-146.6 -65.1 150.8 12.3 33.2 15.5 18 18 A S E -l 168 0C 72 149,-0.2 2,-0.4 -3,-0.1 151,-0.2 -0.958 12.4-167.9-121.7 142.2 9.8 32.3 12.8 19 19 A Y E -l 169 0C 26 149,-2.3 151,-3.1 -2,-0.4 2,-0.4 -0.987 5.2-155.0-133.2 140.8 10.4 32.7 9.0 20 20 A S E l 170 0C 87 -2,-0.4 8,-0.2 149,-0.2 151,-0.1 -0.919 360.0 360.0-117.2 141.4 7.9 32.4 6.2 21 21 A R 0 0 97 149,-1.3 6,-0.1 -2,-0.4 8,-0.0 -0.485 360.0 360.0 -67.0 360.0 8.6 31.6 2.5 22 ! 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 23 28 A L 0 0 132 0, 0.0 2,-0.1 0, 0.0 102,-0.1 0.000 360.0 360.0 360.0 143.6 12.8 21.4 -3.8 24 29 A P - 0 0 73 0, 0.0 2,-0.5 0, 0.0 101,-0.2 0.443 360.0-170.7 -72.8 155.4 15.1 22.6 -2.5 25 30 A F E -B 124 0A 52 99,-1.8 99,-3.2 -2,-0.1 2,-0.5 -0.968 8.5-152.4-120.0 117.6 13.4 25.8 -1.4 26 31 A V E -B 123 0A 66 -2,-0.5 2,-0.3 97,-0.2 97,-0.2 -0.781 11.3-137.5 -94.2 122.9 15.6 28.5 0.0 27 32 A Y - 0 0 3 95,-2.5 2,-1.2 -2,-0.5 3,-0.1 -0.610 13.8-129.8 -79.7 136.4 14.1 31.0 2.5 28 33 A D + 0 0 104 -2,-0.3 -8,-0.1 -8,-0.2 -1,-0.1 -0.707 52.2 142.4 -86.6 92.8 15.0 34.7 2.1 29 34 A T > - 0 0 9 -2,-1.2 3,-2.4 1,-0.2 4,-0.4 0.354 32.3-167.9-116.3 7.5 16.0 35.6 5.6 30 35 A R T 3 - 0 0 65 1,-0.3 3,-0.3 2,-0.1 -1,-0.2 -0.145 69.4 -22.4 44.1-119.1 18.9 37.9 4.8 31 36 A N T 3 S+ 0 0 76 1,-0.2 -1,-0.3 88,-0.1 3,-0.2 0.337 108.2 104.0-103.1 7.0 20.8 38.6 8.0 32 37 A K S < S+ 0 0 152 -3,-2.4 2,-1.2 1,-0.2 -1,-0.2 0.844 76.3 55.1 -58.0 -37.9 18.1 37.7 10.5 33 38 A I S S+ 0 0 1 87,-0.4 87,-2.5 -4,-0.4 2,-0.3 -0.673 93.3 104.8 -99.0 81.1 19.6 34.4 11.4 34 39 A G E - C 0 119A 12 -2,-1.2 -21,-2.6 85,-0.2 2,-0.4 -0.910 58.5-138.2-149.9 172.0 23.0 35.5 12.4 35 40 A Y E + C 0 118A 43 83,-2.4 83,-2.6 -2,-0.3 2,-0.4 -0.990 26.6 175.0-134.3 133.8 25.5 36.2 15.2 36 41 A Q E + C 0 117A 91 -2,-0.4 2,-0.3 81,-0.2 81,-0.2 -0.998 9.7 167.6-144.1 136.2 27.7 39.2 15.0 37 42 A N E - C 0 116A 37 79,-2.2 79,-1.9 -2,-0.4 3,-0.2 -0.867 19.3-162.6-151.6 112.2 30.2 40.6 17.4 38 43 A A E S+ 0 0 42 -2,-0.3 2,-0.5 77,-0.3 3,-0.2 0.681 84.3 55.3 -68.6 -13.7 32.7 43.3 16.5 39 44 A N E + 0 0 76 1,-0.1 76,-0.2 74,-0.1 -1,-0.2 -0.739 52.2 125.7-130.3 85.2 34.8 42.6 19.5 40 45 A V E S+ 0 0 2 74,-2.6 -35,-2.9 -2,-0.5 -34,-1.6 0.726 82.5 23.9-103.6 -33.1 36.0 39.0 20.0 41 46 A W E S-AC 4 114A 0 73,-2.1 73,-2.7 -37,-0.3 2,-0.5 -0.977 70.8-139.3-131.8 143.4 39.7 39.8 20.3 42 47 A H E -AC 3 113A 78 -39,-2.8 -39,-1.9 -2,-0.4 2,-0.3 -0.913 30.9-175.7 -99.5 129.6 41.4 43.0 21.3 43 48 A I E +AC 2 112A 0 69,-2.4 69,-2.8 -2,-0.5 2,-0.3 -0.943 8.4 157.5-130.1 152.6 44.5 43.6 19.2 44 49 A S E > + C 0 111A 17 -43,-2.3 3,-0.9 -2,-0.3 67,-0.2 -0.976 41.8 39.6-159.5 175.3 47.2 46.2 19.1 45 50 A K T 3 S- 0 0 104 65,-2.2 63,-0.3 62,-0.3 -1,-0.1 0.887 125.7 -38.0 41.8 62.7 50.7 47.3 18.1 46 51 A G T 3 S+ 0 0 28 61,-2.0 -1,-0.3 1,-0.2 62,-0.2 0.573 85.7 161.3 74.6 12.1 50.9 45.8 14.7 47 52 A F < - 0 0 11 -3,-0.9 59,-2.2 60,-0.3 2,-0.5 -0.441 25.4-153.3 -65.3 134.7 49.1 42.6 15.4 48 53 A a E +IJ 105 148B 2 100,-0.5 100,-2.0 57,-0.2 2,-0.3 -0.948 22.1 167.6-113.4 129.2 48.0 41.0 12.0 49 54 A V E +IJ 104 147B 0 55,-2.9 55,-1.9 -2,-0.5 2,-0.2 -0.997 17.0 169.3-148.9 145.2 45.0 38.7 12.1 50 55 A G E - J 0 146B 0 96,-1.9 96,-2.4 -2,-0.3 2,-0.4 -0.570 31.6-107.8-129.5-166.0 42.4 36.9 9.8 51 56 A L E -IJ 101 145B 0 50,-2.0 49,-2.2 94,-0.3 50,-1.4 -0.994 15.4-163.4-138.0 142.6 39.8 34.2 10.5 52 57 A D E -IJ 99 144B 16 92,-2.7 92,-2.3 -2,-0.4 2,-0.3 -0.925 15.5-164.1-115.9 146.0 39.3 30.6 9.6 53 58 A G E -IJ 98 143B 0 45,-2.8 45,-2.6 -2,-0.4 2,-0.3 -0.934 7.3-170.3-129.5 155.7 35.9 28.9 9.9 54 59 A K E - J 0 142B 48 88,-2.5 88,-2.1 -2,-0.3 2,-0.5 -0.988 9.6-153.9-146.4 132.9 34.7 25.3 10.0 55 60 A V E - J 0 141B 0 41,-0.4 86,-0.3 39,-0.4 85,-0.1 -0.920 4.8-171.2-107.7 131.3 31.3 23.8 9.8 56 61 A D + 0 0 78 84,-2.6 85,-0.2 -2,-0.5 -1,-0.1 0.539 51.1 107.8 -97.2 -8.5 30.7 20.4 11.4 57 62 A L S S- 0 0 13 83,-0.8 2,-0.1 1,-0.1 14,-0.1 -0.318 81.4 -94.5 -67.9 152.7 27.2 19.7 10.1 58 63 A P - 0 0 78 0, 0.0 12,-3.0 0, 0.0 2,-0.7 -0.418 33.5-124.6 -70.1 144.7 26.8 17.1 7.4 59 64 A V E +D 69 0A 58 10,-0.2 10,-0.2 1,-0.1 3,-0.1 -0.792 33.5 171.5 -90.1 119.5 26.9 18.2 3.8 60 65 A V E - 0 0 81 8,-2.6 2,-0.3 -2,-0.7 9,-0.2 0.296 60.1 -35.3-111.0 8.7 23.7 17.0 2.1 61 66 A G E -D 68 0A 29 7,-0.9 7,-2.5 2,-0.0 2,-0.3 -0.994 59.9 -98.1 165.1-167.3 24.0 18.9 -1.1 62 67 A S E -D 67 0A 76 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.990 14.0-170.7-148.9 154.9 25.1 22.0 -2.9 63 68 A L E > S-D 66 0A 54 3,-2.3 3,-1.8 -2,-0.3 -2,-0.0 -0.900 76.9 -25.2-151.2 115.4 23.7 25.3 -4.3 64 69 A D T 3 S- 0 0 167 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.799 127.7 -44.7 50.5 36.3 25.7 27.7 -6.4 65 70 A G T 3 S+ 0 0 65 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.430 118.1 97.3 95.6 -3.5 29.0 26.5 -5.1 66 71 A Q E < S-D 63 0A 22 -3,-1.8 -3,-2.3 27,-0.1 -1,-0.3 -0.934 75.6-102.2-122.5 148.7 28.2 26.3 -1.4 67 72 A S E -D 62 0A 9 25,-1.1 2,-0.7 -2,-0.4 12,-0.4 -0.266 17.1-139.6 -65.3 142.6 27.3 23.4 0.8 68 73 A I E -D 61 0A 7 -7,-2.5 -8,-2.6 10,-0.1 -7,-0.9 -0.954 27.7-153.1 -97.0 119.6 23.7 22.7 1.9 69 74 A Y E -DE 59 77A 0 8,-2.8 8,-2.4 -2,-0.7 2,-0.3 -0.819 11.1-125.0 -96.7 134.5 24.3 21.6 5.5 70 75 A G E + E 0 76A 9 -12,-3.0 6,-0.2 -2,-0.4 3,-0.1 -0.619 37.7 160.6 -89.3 140.0 21.7 19.3 7.0 71 76 A L S S- 0 0 36 4,-2.7 2,-0.2 1,-0.5 5,-0.2 0.717 76.3 -8.7-111.9 -51.5 19.8 19.8 10.3 72 77 A T S S- 0 0 57 3,-2.3 -1,-0.5 63,-0.0 53,-0.1 -0.785 80.4 -92.0-136.5 178.4 16.8 17.4 9.8 73 78 A E S S+ 0 0 72 -2,-0.2 3,-0.1 1,-0.2 -1,-0.0 0.798 130.4 37.1 -67.6 -22.7 15.5 15.4 6.9 74 79 A E S S+ 0 0 61 51,-0.2 51,-3.1 1,-0.1 52,-1.0 0.704 115.1 55.3-100.2 -23.1 13.3 18.4 6.1 75 80 A V E + F 0 124A 0 49,-0.2 -4,-2.7 50,-0.2 -3,-2.3 -0.944 51.5 161.4-125.8 134.8 15.6 21.3 6.9 76 81 A G E -EF 70 123A 0 47,-2.6 47,-2.1 -2,-0.4 2,-0.3 -0.718 22.8-132.7-128.6-176.9 19.1 22.3 5.8 77 82 A L E -EF 69 122A 0 -8,-2.4 -8,-2.8 45,-0.2 2,-0.4 -0.999 10.7-145.4-145.6 145.5 21.1 25.5 5.8 78 83 A L E - F 0 121A 12 43,-2.7 43,-2.2 -2,-0.3 2,-0.4 -0.868 37.4-160.5 -98.4 139.1 23.3 27.7 3.6 79 84 A I E - F 0 120A 0 -12,-0.4 13,-2.7 -2,-0.4 2,-0.3 -0.964 18.2-172.1-130.9 142.4 26.0 29.1 5.9 80 85 A W E -GF 91 119A 40 39,-2.8 39,-2.4 -2,-0.4 2,-0.3 -0.976 4.6-177.8-128.3 143.9 28.4 32.1 5.8 81 86 A M E +GF 90 118A 0 9,-2.2 9,-2.6 -2,-0.3 2,-0.3 -0.990 27.3 102.8-137.6 144.9 31.3 32.9 8.2 82 87 A G E - F 0 117A 0 35,-2.2 35,-2.3 -2,-0.3 19,-0.2 -0.973 60.9 -18.5 176.6-159.8 33.6 35.9 8.2 83 88 A D S S- 0 0 24 17,-0.5 33,-0.3 5,-0.5 5,-0.2 -0.069 80.2 -79.7 -64.8 171.3 34.6 39.3 9.5 84 89 A T S S+ 0 0 25 32,-0.1 2,-0.2 -46,-0.1 32,-0.1 0.849 108.0 73.4 -42.1 -57.5 32.2 41.4 11.6 85 90 A K S > S- 0 0 124 1,-0.1 3,-2.2 32,-0.1 4,-0.2 -0.461 80.6-132.9 -71.6 134.3 30.0 43.0 8.9 86 91 A Y G > S+ 0 0 41 1,-0.3 3,-2.1 -2,-0.2 -1,-0.1 0.829 103.0 64.7 -57.3 -34.1 27.5 40.4 7.4 87 92 A S G 3 S+ 0 0 101 1,-0.3 -1,-0.3 -5,-0.0 -3,-0.1 0.721 95.5 60.6 -62.5 -17.7 28.3 41.5 3.8 88 93 A R G < S+ 0 0 126 -3,-2.2 -5,-0.5 -5,-0.2 -1,-0.3 0.417 78.7 131.2 -89.1 2.3 31.9 40.2 4.3 89 94 A G < - 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