==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CARBOHYDRATE BINDING PROTEIN 29-MAR-10 3MCY . COMPND 2 MOLECULE: FIMH; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR B.A.FORD,S.J.HULTGREN . 632 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28072.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 429 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 237 37.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 0 0.0 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 . 72 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 3.8 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 4 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 . 4 0 0 0 0 0 4 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 8 9 8 3 0 5 3 4 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 4 8 4 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 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 F 0 0 14 0, 0.0 13,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 129.9 -21.9 46.9 31.6 2 2 A A E -A 45 0A 14 43,-1.3 43,-1.8 11,-0.1 2,-0.3 -0.931 360.0-146.7-144.4 164.9 -25.3 45.3 30.8 3 3 A a E -AB 44 11A 2 8,-2.3 8,-2.8 -2,-0.3 2,-0.3 -0.914 8.9-170.2-134.7 164.1 -28.6 46.3 29.1 4 4 A K E -AB 43 10A 75 39,-2.5 39,-2.3 -2,-0.3 2,-0.3 -0.929 18.4-124.9-144.4 165.4 -32.3 45.6 29.4 5 5 A T E -A 42 0A 5 4,-1.8 3,-0.4 -2,-0.3 37,-0.2 -0.804 30.1-112.6-113.0 160.9 -35.5 46.3 27.6 6 6 A A S S+ 0 0 55 35,-1.6 36,-0.1 -2,-0.3 35,-0.1 0.740 115.0 53.1 -67.5 -24.3 -38.6 47.9 29.0 7 7 A N S S- 0 0 101 34,-0.3 -1,-0.2 2,-0.1 13,-0.0 0.812 126.5 -85.5 -82.3 -28.6 -40.5 44.7 28.8 8 8 A G S S+ 0 0 52 -3,-0.4 -2,-0.1 1,-0.3 0, 0.0 -0.022 77.9 121.8 167.2 -54.5 -38.1 42.6 30.6 9 9 A T - 0 0 74 10,-0.2 -4,-1.8 -5,-0.1 2,-0.3 0.063 37.6-156.5 -54.7 147.1 -35.2 41.0 28.9 10 10 A A E -B 4 0A 68 -6,-0.2 -6,-0.2 7,-0.1 7,-0.1 -0.914 13.4-153.9-123.9 144.9 -31.6 41.5 29.8 11 11 A I E -B 3 0A 2 -8,-2.8 -8,-2.3 -2,-0.3 5,-0.1 -0.995 32.8-145.6-112.7 122.9 -28.3 41.2 27.9 12 12 A P > - 0 0 81 0, 0.0 3,-2.4 0, 0.0 -10,-0.0 -0.182 34.5 -51.9 -87.1 176.6 -25.6 40.5 30.5 13 13 A I T 3 S+ 0 0 117 1,-0.3 -11,-0.1 -11,-0.1 0, 0.0 -0.158 124.6 30.3 -43.5 129.6 -22.0 41.3 30.8 14 14 A G T 3 S- 0 0 32 -13,-0.4 129,-0.4 -3,-0.1 -1,-0.3 0.201 115.6 -89.7 103.0 -15.3 -20.2 40.4 27.7 15 15 A G < + 0 0 20 -3,-2.4 2,-0.3 -14,-0.2 129,-0.2 -0.319 50.6 158.9 105.9 175.5 -23.0 40.9 25.1 16 16 A G E -d 144 0B 29 127,-1.7 129,-3.1 -5,-0.1 2,-0.3 -0.980 38.0 -77.0 159.8-160.9 -25.8 38.9 23.5 17 17 A S E +d 145 0B 71 -2,-0.3 2,-0.3 127,-0.2 129,-0.2 -0.876 33.7 178.4-129.6 166.3 -29.1 39.5 21.7 18 18 A A E -d 146 0B 7 127,-1.5 129,-3.0 -2,-0.3 2,-0.4 -0.967 26.1-117.4-161.9 156.3 -32.5 40.4 22.7 19 19 A N E -d 147 0B 67 -2,-0.3 2,-0.4 127,-0.2 129,-0.2 -0.806 21.1-165.5-100.1 142.4 -35.8 41.1 21.0 20 20 A V E -d 148 0B 2 127,-3.0 129,-2.9 -2,-0.4 2,-0.5 -0.989 4.9-157.5-128.6 120.6 -37.6 44.4 21.2 21 21 A Y E -d 149 0B 89 -2,-0.4 2,-0.4 127,-0.2 129,-0.2 -0.863 17.7-174.2 -98.9 129.7 -41.2 44.8 20.3 22 22 A V E -d 150 0B 7 127,-2.7 129,-2.2 -2,-0.5 130,-0.4 -0.944 25.9-127.1-129.8 144.2 -42.4 48.3 19.3 23 23 A N - 0 0 126 -2,-0.4 2,-0.3 127,-0.2 127,-0.0 -0.670 31.9-159.5 -79.1 140.1 -45.5 50.0 18.5 24 24 A L - 0 0 12 -2,-0.3 12,-0.1 129,-0.1 129,-0.0 -0.749 31.7 -83.7-115.6 164.7 -45.4 51.9 15.2 25 25 A A - 0 0 38 -2,-0.3 130,-0.1 1,-0.1 3,-0.1 -0.545 36.4-144.7 -64.8 128.9 -47.4 54.7 13.8 26 26 A P S S+ 0 0 83 0, 0.0 129,-3.2 0, 0.0 2,-0.4 0.861 81.6 27.4 -67.0 -38.6 -50.5 53.1 12.2 27 27 A V B +h 155 0C 87 127,-0.2 2,-0.4 129,-0.1 129,-0.2 -0.993 64.6 167.3-130.7 128.3 -50.7 55.6 9.3 28 28 A V - 0 0 2 127,-2.1 2,-0.2 -2,-0.4 6,-0.1 -0.999 20.3-144.0-138.4 134.7 -48.0 57.5 7.7 29 29 A N > - 0 0 75 -2,-0.4 3,-2.6 127,-0.2 2,-0.2 -0.574 34.7 -89.6 -92.0 158.0 -48.1 59.5 4.5 30 30 A V T 3 S+ 0 0 80 1,-0.3 3,-0.1 127,-0.2 -1,-0.1 -0.500 123.3 32.2 -54.5 127.7 -45.5 60.0 1.8 31 31 A G T 3 S+ 0 0 73 80,-0.4 -1,-0.3 1,-0.4 2,-0.3 0.356 104.0 97.8 98.6 -5.6 -43.9 63.1 3.1 32 32 A Q < - 0 0 90 -3,-2.6 2,-0.5 79,-0.1 -1,-0.4 -0.723 67.7-124.6-108.1 163.4 -44.4 62.3 6.8 33 33 A N - 0 0 93 -2,-0.3 2,-0.5 77,-0.1 77,-0.2 -0.924 4.2-150.6-111.1 135.7 -42.0 60.7 9.2 34 34 A L E -J 109 0D 0 75,-3.8 75,-2.5 -2,-0.5 2,-0.5 -0.869 21.3-156.2 -86.4 127.6 -42.5 57.6 11.3 35 35 A V E -J 108 0D 77 -2,-0.5 2,-0.6 73,-0.2 73,-0.2 -0.950 11.1-170.9-109.5 127.2 -40.5 58.1 14.5 36 36 A V E -J 107 0D 7 71,-2.7 71,-2.2 -2,-0.5 2,-0.9 -0.879 7.8-162.8-114.8 99.1 -39.4 55.0 16.4 37 37 A D E > +J 106 0D 70 -2,-0.6 3,-0.7 69,-0.2 69,-0.2 -0.694 13.4 176.8 -84.6 108.7 -37.9 56.1 19.7 38 38 A L G >> + 0 0 0 67,-1.9 4,-1.6 -2,-0.9 3,-1.4 0.504 66.1 82.9 -89.9 -2.6 -35.9 53.2 21.1 39 39 A S G 34 S+ 0 0 29 66,-0.5 -1,-0.2 1,-0.3 67,-0.1 0.471 85.5 57.9 -81.9 -2.6 -34.7 55.1 24.1 40 40 A T G <4 S+ 0 0 75 -3,-0.7 -1,-0.3 62,-0.1 -2,-0.1 0.339 115.7 38.9 -95.8 6.1 -38.0 54.3 25.9 41 41 A Q T <4 S+ 0 0 47 -3,-1.4 -35,-1.6 1,-0.3 2,-0.5 0.652 106.0 53.4-130.4 -33.4 -37.1 50.7 25.4 42 42 A I E < +A 5 0A 0 -4,-1.6 61,-2.2 61,-0.3 2,-0.3 -0.982 58.5 176.6-123.5 126.9 -33.4 49.9 25.8 43 43 A F E -AC 4 102A 38 -39,-2.3 -39,-2.5 -2,-0.5 2,-0.3 -0.945 4.5-171.8-130.6 149.4 -31.5 50.9 28.9 44 44 A a E -AC 3 101A 0 57,-2.6 57,-2.2 -2,-0.3 2,-0.3 -0.943 3.3-165.8-139.6 162.4 -27.9 50.3 30.1 45 45 A H E -A 2 0A 35 -43,-1.8 -43,-1.3 -2,-0.3 2,-0.4 -0.975 23.8-119.2-147.3 157.1 -25.7 50.7 33.1 46 46 A N - 0 0 2 51,-3.0 50,-0.1 -2,-0.3 -2,-0.0 -0.825 16.0-155.5 -94.0 130.9 -22.0 50.7 34.1 47 47 A D S S+ 0 0 59 -2,-0.4 -1,-0.1 1,-0.2 51,-0.1 0.568 92.5 26.9 -88.2 -6.8 -21.2 48.0 36.7 48 48 A Y >> + 0 0 111 4,-0.1 4,-2.9 49,-0.1 3,-1.7 -0.267 67.8 155.2-147.8 54.5 -18.1 49.9 38.1 49 49 A P T 34 + 0 0 28 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.704 64.2 76.4 -58.2 -21.6 -18.8 53.6 37.4 50 50 A E T 34 S+ 0 0 121 1,-0.2 3,-0.1 -3,-0.1 46,-0.0 0.744 121.8 2.0 -67.2 -27.1 -16.5 54.5 40.3 51 51 A T T <4 S+ 0 0 84 -3,-1.7 2,-0.3 1,-0.1 -1,-0.2 0.555 120.1 77.0-122.7 -26.9 -13.3 53.8 38.2 52 52 A I < - 0 0 14 -4,-2.9 2,-0.5 83,-0.0 -4,-0.1 -0.691 51.8-162.3-101.3 139.4 -14.6 52.7 34.8 53 53 A T - 0 0 37 -2,-0.3 83,-1.1 -3,-0.1 2,-0.4 -0.971 15.6-154.2-110.2 120.9 -16.0 54.7 31.9 54 54 A D E -EF 95 135B 5 41,-1.9 41,-2.2 -2,-0.5 2,-0.5 -0.803 3.7-152.5 -94.6 136.7 -17.9 52.7 29.4 55 55 A Y E -EF 94 134B 51 79,-2.5 79,-2.3 -2,-0.4 2,-0.4 -0.946 13.1-170.8-111.1 127.3 -18.1 53.9 25.8 56 56 A V E +EF 93 133B 0 37,-2.8 37,-2.9 -2,-0.5 2,-0.3 -0.969 7.5 172.5-125.6 130.9 -21.1 52.9 23.8 57 57 A T E - F 0 132B 4 75,-1.9 75,-2.4 -2,-0.4 2,-0.9 -0.890 39.7-115.8-127.9 159.2 -21.7 53.4 20.1 58 58 A L E + F 0 131B 0 33,-0.5 32,-1.8 -2,-0.3 73,-0.2 -0.883 37.1 180.0 -90.0 106.3 -24.3 52.4 17.6 59 59 A Q E + 0 0 21 71,-2.5 2,-0.3 -2,-0.9 -1,-0.2 0.821 59.0 3.2 -82.4 -32.4 -22.0 50.3 15.4 60 60 A R E - F 0 130B 29 70,-1.0 70,-3.0 -3,-0.1 2,-0.4 -0.977 52.1-168.4-157.1 139.1 -24.5 49.1 12.8 61 61 A G E + F 0 129B 1 -2,-0.3 25,-1.9 68,-0.2 2,-0.3 -0.985 14.8 179.6-130.9 123.2 -28.1 49.7 11.9 62 62 A S E - F 0 128B 20 66,-2.3 66,-1.6 -2,-0.4 2,-0.3 -0.904 17.9-137.5-122.7 151.7 -29.8 47.5 9.3 63 63 A A E + F 0 127B 8 -2,-0.3 64,-0.3 64,-0.2 2,-0.3 -0.829 21.6 178.8-109.0 146.7 -33.3 47.5 8.0 64 64 A Y >> + 0 0 41 62,-2.5 4,-1.2 -2,-0.3 3,-1.2 -0.840 46.5 2.5-135.4 170.5 -35.5 44.5 7.4 65 65 A G H 3> S- 0 0 40 -2,-0.3 4,-1.5 1,-0.3 61,-0.1 -0.174 126.2 -9.6 58.4-134.1 -39.0 43.7 6.2 66 66 A G H 3> S+ 0 0 11 2,-0.2 4,-2.8 1,-0.2 5,-0.4 0.748 132.1 61.8 -71.5 -27.4 -41.1 46.7 5.1 67 67 A V H <> S+ 0 0 6 -3,-1.2 4,-1.6 58,-0.2 -2,-0.2 0.963 106.6 47.6 -63.5 -45.2 -38.7 49.3 6.4 68 68 A L H < S+ 0 0 106 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.881 123.1 32.1 -60.2 -42.5 -36.1 47.9 4.0 69 69 A S H < S+ 0 0 82 -4,-1.5 -1,-0.2 50,-0.2 -2,-0.2 0.784 129.2 29.3 -82.9 -32.7 -38.6 47.9 1.0 70 70 A N H < S+ 0 0 44 -4,-2.8 42,-2.5 49,-0.2 2,-0.3 0.493 108.3 53.9-119.8 -7.5 -40.8 50.8 1.7 71 71 A F E < -K 111 0D 14 -4,-1.6 2,-0.4 -5,-0.4 38,-0.1 -0.875 51.3-152.4-131.2 159.3 -39.0 53.5 3.6 72 72 A S E +K 110 0D 69 38,-2.6 38,-2.8 -2,-0.3 2,-0.3 -0.988 34.1 174.5-125.8 142.8 -35.9 55.6 3.6 73 73 A G E -KL 109 84D 16 11,-0.7 11,-2.3 -2,-0.4 2,-0.3 -0.857 31.9-145.6-144.0 169.2 -34.6 56.7 7.0 74 74 A T E -KL 108 83D 62 34,-2.1 34,-3.0 9,-0.3 2,-0.4 -0.939 22.3-137.3-129.3 157.4 -32.1 58.4 9.2 75 75 A V E -KL 107 82D 2 7,-3.3 7,-2.4 -2,-0.3 2,-0.6 -0.952 8.1-149.7-116.0 137.9 -31.1 57.4 12.6 76 76 A K E -KL 106 81D 62 30,-2.9 30,-1.5 -2,-0.4 2,-0.6 -0.931 14.4-174.5-108.4 118.3 -30.6 59.9 15.4 77 77 A Y E > S-KL 105 80D 5 3,-2.6 3,-1.3 -2,-0.6 28,-0.2 -0.943 70.5 -27.8-119.5 111.7 -28.0 58.9 18.0 78 78 A S T 3 S- 0 0 68 26,-2.4 -1,-0.2 -2,-0.6 27,-0.1 0.888 129.0 -42.1 51.9 44.9 -27.6 61.1 21.0 79 79 A G T 3 S+ 0 0 58 1,-0.2 2,-0.3 25,-0.2 -1,-0.3 0.443 118.9 97.0 89.9 -0.7 -28.8 64.2 19.1 80 80 A S E < -L 77 0D 58 -3,-1.3 -3,-2.6 2,-0.0 2,-0.4 -0.892 62.9-131.4-121.6 156.2 -26.9 63.7 15.8 81 81 A S E +L 76 0D 78 -2,-0.3 -5,-0.2 -5,-0.2 -7,-0.0 -0.860 25.5 165.4-118.1 141.9 -28.2 62.3 12.6 82 82 A Y E -L 75 0D 55 -7,-2.4 -7,-3.3 -2,-0.4 4,-0.1 -0.932 43.2 -84.0-142.8 159.4 -26.9 59.7 10.2 83 83 A P E -L 74 0D 67 0, 0.0 4,-0.3 0, 0.0 -9,-0.3 -0.313 47.7-112.1 -68.5 154.5 -28.4 57.7 7.4 84 84 A F E S+L 73 0D 7 -11,-2.3 -11,-0.7 2,-0.1 2,-0.2 -0.847 103.8 46.8-138.0 90.6 -30.2 54.5 8.0 85 85 A P S S- 0 0 64 0, 0.0 -23,-0.2 0, 0.0 -10,-0.1 -0.046 114.8-110.0-101.4 150.4 -29.3 51.7 7.2 86 86 A T - 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