==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 17-MAY-12 4AUJ . COMPND 2 MOLECULE: FIMH; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.BOUCKAERT,M.TOUAIBIA,G.ROOS,T.C.SHIAO,Q.WANG,A.PAPADOPOULO . 158 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7450.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 110 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 38.0 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 . 1 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 . 19 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 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 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 RESIDUES PER ALPHA HELIX . 1 0 0 0 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 PARALLEL BRIDGES PER LADDER . 0 2 2 2 1 0 1 1 1 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 2 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 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 16 0, 0.0 13,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 129.4 14.1 0.7 7.4 2 2 A A E -A 45 0A 15 43,-1.6 43,-1.9 11,-0.1 2,-0.3 -0.967 360.0-139.6-156.3 167.9 11.4 -0.7 5.1 3 3 A a E -AB 44 11A 6 8,-2.3 8,-2.4 -2,-0.3 2,-0.3 -0.913 10.4-172.6-136.0 156.7 10.0 -0.2 1.7 4 4 A K E -AB 43 10A 84 39,-2.9 39,-2.9 -2,-0.3 2,-0.3 -0.974 12.8-139.4-146.4 158.1 6.7 -0.2 -0.2 5 5 A T E > -A 42 0A 7 4,-2.9 3,-1.3 -2,-0.3 37,-0.2 -0.764 27.0-116.0-116.9 164.4 5.4 0.0 -3.7 6 6 A A T 3 S+ 0 0 57 35,-1.9 36,-0.1 -2,-0.3 35,-0.1 0.670 113.4 64.1 -63.8 -21.3 2.7 1.7 -5.7 7 7 A N T 3 S- 0 0 63 34,-0.3 -1,-0.2 12,-0.1 3,-0.1 0.377 122.2-104.4 -80.9 -0.1 1.3 -1.8 -6.6 8 8 A G S < S+ 0 0 72 -3,-1.3 2,-0.3 1,-0.3 -2,-0.1 0.707 80.5 129.6 81.5 21.0 0.6 -2.3 -2.9 9 9 A T - 0 0 36 10,-0.1 -4,-2.9 9,-0.0 2,-0.3 -0.706 33.1-177.7-101.2 160.6 3.5 -4.7 -2.3 10 10 A A E -B 4 0A 69 -2,-0.3 -6,-0.2 -6,-0.2 7,-0.1 -0.994 23.9-148.7-156.4 155.9 6.0 -4.1 0.6 11 11 A I E -B 3 0A 3 -8,-2.4 -8,-2.3 -2,-0.3 5,-0.1 -0.994 26.1-146.1-132.8 125.9 9.1 -5.5 2.2 12 12 A P > - 0 0 88 0, 0.0 3,-2.1 0, 0.0 -10,-0.0 -0.097 41.2 -51.1 -85.7 179.9 9.6 -5.1 6.0 13 13 A I T 3 S+ 0 0 117 1,-0.3 -11,-0.1 -11,-0.1 0, 0.0 -0.248 125.5 33.5 -44.1 130.9 12.5 -4.6 8.3 14 14 A G T 3 S- 0 0 32 -13,-0.4 129,-0.4 -3,-0.1 -1,-0.3 0.280 113.3-103.8 97.8 -9.1 15.2 -7.1 7.5 15 15 A G < + 0 0 16 -3,-2.1 2,-0.3 -14,-0.3 129,-0.3 -0.279 48.4 161.1 90.0-172.6 14.5 -7.3 3.8 16 16 A G E -d 144 0B 34 127,-2.1 129,-3.1 -5,-0.1 2,-0.3 -0.982 40.3 -65.1 145.4-158.9 12.9 -9.8 1.5 17 17 A S E +d 145 0B 81 -2,-0.3 2,-0.3 127,-0.2 129,-0.2 -0.950 39.1 173.4-134.1 150.0 11.4 -9.8 -2.0 18 18 A A E -d 146 0B 9 127,-2.3 129,-2.5 -2,-0.3 2,-0.3 -0.990 27.4-116.2-153.4 158.3 8.5 -8.1 -3.7 19 19 A N E -d 147 0B 53 -2,-0.3 2,-0.4 127,-0.2 129,-0.2 -0.758 20.2-164.5 -99.3 141.5 7.0 -7.7 -7.2 20 20 A V E -d 148 0B 0 127,-3.1 129,-3.0 -2,-0.3 2,-0.5 -0.991 4.4-158.4-125.6 130.4 6.7 -4.5 -9.1 21 21 A Y E -d 149 0B 86 -2,-0.4 2,-0.4 127,-0.2 129,-0.2 -0.948 15.5-169.0-115.4 121.9 4.4 -4.1 -12.1 22 22 A V E -d 150 0B 7 127,-2.8 129,-2.7 -2,-0.5 130,-0.4 -0.882 22.2-132.9-120.4 138.7 5.2 -1.3 -14.5 23 23 A N - 0 0 134 -2,-0.4 2,-0.3 127,-0.2 127,-0.0 -0.707 31.2-160.4 -80.5 136.5 3.5 0.3 -17.4 24 24 A L - 0 0 9 -2,-0.4 12,-0.1 129,-0.1 10,-0.0 -0.911 31.1 -91.8-121.6 147.5 5.8 0.8 -20.4 25 25 A A - 0 0 52 -2,-0.3 130,-0.1 10,-0.3 3,-0.1 -0.365 39.0-140.9 -52.6 126.1 5.8 3.0 -23.4 26 26 A P S S+ 0 0 88 0, 0.0 129,-3.0 0, 0.0 2,-0.4 0.771 81.7 36.2 -71.4 -25.0 4.0 0.7 -25.9 27 27 A V B +h 155 0C 87 127,-0.2 2,-0.4 129,-0.1 129,-0.2 -0.996 63.5 170.1-131.9 126.1 6.1 1.7 -28.9 28 28 A V - 0 0 6 127,-2.1 2,-0.2 -2,-0.4 6,-0.1 -0.998 20.8-141.5-137.0 131.5 9.8 2.5 -28.9 29 29 A N > - 0 0 68 -2,-0.4 3,-2.2 127,-0.2 129,-0.1 -0.558 34.7 -86.3 -89.2 156.9 12.1 3.0 -31.9 30 30 A V T 3 S+ 0 0 71 127,-0.3 -1,-0.1 1,-0.3 82,-0.1 -0.325 118.8 27.7 -52.8 134.4 15.6 1.9 -32.5 31 31 A G T 3 S+ 0 0 62 80,-0.9 2,-0.3 1,-0.3 -1,-0.3 0.285 102.8 100.9 92.2 -10.7 17.9 4.6 -31.1 32 32 A Q S < S- 0 0 104 -3,-2.2 2,-0.5 79,-0.1 -1,-0.3 -0.784 71.2-119.0-109.7 150.3 15.3 5.8 -28.5 33 33 A N - 0 0 93 -2,-0.3 2,-0.6 77,-0.2 77,-0.2 -0.772 8.5-148.3 -93.6 130.0 15.3 5.0 -24.8 34 34 A L E -J 109 0D 2 75,-3.5 75,-2.9 -2,-0.5 2,-0.5 -0.855 26.1-146.8 -82.4 124.5 12.5 3.1 -23.1 35 35 A V E -J 108 0D 66 -2,-0.6 2,-0.6 73,-0.2 -10,-0.3 -0.846 19.5-173.1-103.0 127.2 12.5 4.6 -19.6 36 36 A V E -J 107 0D 4 71,-2.7 71,-2.8 -2,-0.5 2,-1.0 -0.898 11.4-168.1-115.6 97.5 11.5 2.5 -16.6 37 37 A D E > +J 106 0D 67 -2,-0.6 3,-1.1 69,-0.2 69,-0.2 -0.745 13.0 177.3 -94.9 99.8 11.4 5.0 -13.7 38 38 A L G >> + 0 0 0 67,-1.5 4,-2.7 -2,-1.0 3,-1.6 0.606 68.8 81.7 -78.5 -9.4 11.2 3.0 -10.5 39 39 A S G 34 S+ 0 0 31 66,-0.8 -1,-0.2 1,-0.3 67,-0.1 0.635 91.6 52.0 -71.5 -12.0 11.3 6.1 -8.4 40 40 A T G <4 S+ 0 0 79 -3,-1.1 -1,-0.3 62,-0.1 -2,-0.2 0.519 119.0 36.7 -90.6 -6.2 7.6 6.5 -9.1 41 41 A Q T <4 S+ 0 0 44 -3,-1.6 -35,-1.9 1,-0.2 2,-0.5 0.717 108.2 55.5-116.7 -34.8 7.1 2.9 -7.9 42 42 A I E < +A 5 0A 0 -4,-2.7 61,-2.8 61,-0.3 2,-0.4 -0.940 57.5 178.1-118.7 126.5 9.4 2.0 -5.0 43 43 A F E -AC 4 102A 46 -39,-2.9 -39,-2.9 -2,-0.5 2,-0.3 -0.975 1.8-178.3-130.0 137.9 9.5 4.1 -1.8 44 44 A a E -AC 3 101A 0 57,-2.7 57,-2.9 -2,-0.4 2,-0.3 -0.862 2.6-170.8-131.6 167.1 11.6 3.5 1.4 45 45 A H E -A 2 0A 34 -43,-1.9 -43,-1.6 -2,-0.3 2,-0.4 -0.990 27.0-112.6-154.6 159.8 12.0 5.1 4.8 46 46 A N - 0 0 2 51,-2.7 50,-0.1 -2,-0.3 7,-0.0 -0.769 19.4-154.6 -91.6 131.6 14.2 5.1 7.9 47 47 A D S S+ 0 0 56 -2,-0.4 -1,-0.1 1,-0.2 51,-0.1 0.585 89.3 23.2 -86.2 -10.4 12.3 3.9 11.1 48 48 A Y >> + 0 0 117 4,-0.1 4,-3.1 49,-0.1 3,-2.0 -0.292 65.3 153.5-149.8 55.8 14.5 5.7 13.6 49 49 A P T 34 + 0 0 32 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 0.658 66.9 76.0 -68.9 -14.1 16.1 8.7 11.9 50 50 A E T 34 S+ 0 0 125 1,-0.1 3,-0.1 -3,-0.1 46,-0.0 0.749 122.1 5.3 -60.6 -24.5 16.3 10.5 15.3 51 51 A T T <4 S+ 0 0 76 -3,-2.0 2,-0.4 1,-0.2 -1,-0.1 0.587 124.7 59.5-131.8 -28.6 19.2 8.1 16.1 52 52 A I < - 0 0 19 -4,-3.1 2,-0.5 83,-0.0 -1,-0.2 -0.870 56.3-153.8-118.5 139.9 20.1 6.1 13.1 53 53 A T - 0 0 39 -2,-0.4 83,-1.5 -3,-0.1 2,-0.3 -0.960 18.3-149.6-107.3 131.4 21.2 6.9 9.5 54 54 A D E -EF 95 135B 5 41,-2.3 41,-2.9 -2,-0.5 2,-0.4 -0.751 4.0-155.6-100.0 148.6 20.4 4.4 6.8 55 55 A Y E -EF 94 134B 47 79,-2.7 79,-2.5 -2,-0.3 2,-0.4 -0.982 10.2-169.8-127.0 134.5 22.4 3.8 3.7 56 56 A V E +EF 93 133B 0 37,-2.0 37,-2.6 -2,-0.4 2,-0.3 -0.981 6.8 174.9-135.6 123.3 21.0 2.4 0.5 57 57 A T E - F 0 132B 6 75,-2.6 75,-2.2 -2,-0.4 2,-0.8 -0.789 39.4-118.4-116.6 163.4 22.6 1.1 -2.6 58 58 A L E - F 0 131B 0 33,-0.4 32,-2.2 -2,-0.3 73,-0.2 -0.940 36.7-177.0 -90.5 106.8 21.6 -0.6 -5.8 59 59 A Q E - 0 0 45 71,-2.7 2,-0.3 -2,-0.8 -1,-0.2 0.893 60.9 -11.1 -77.1 -40.3 23.8 -3.7 -5.2 60 60 A R E - F 0 130B 156 70,-0.9 70,-3.1 -3,-0.1 2,-0.4 -0.978 53.6-161.5-159.4 147.0 23.0 -5.4 -8.5 61 61 A G E - F 0 129B 1 -2,-0.3 25,-2.3 68,-0.2 2,-0.3 -0.993 14.4-173.0-134.1 124.8 20.6 -5.0 -11.4 62 62 A S E - F 0 128B 33 66,-2.7 66,-2.1 -2,-0.4 2,-0.3 -0.894 13.6-139.7-120.6 148.7 19.9 -7.9 -13.8 63 63 A A E - F 0 127B 8 -2,-0.3 2,-0.3 64,-0.2 64,-0.3 -0.807 20.3-171.1-108.3 147.7 18.0 -8.0 -17.0 64 64 A Y >> - 0 0 91 62,-1.9 3,-1.4 -2,-0.3 4,-1.0 -0.894 42.1 -15.7-134.1 162.5 15.7 -10.8 -18.1 65 65 A G H 3> S- 0 0 49 -2,-0.3 4,-1.8 1,-0.3 5,-0.2 -0.082 125.2 -0.2 54.5-131.3 13.7 -12.0 -21.1 66 66 A G H 3> S+ 0 0 17 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.786 130.9 59.0 -64.1 -30.1 13.1 -9.5 -23.8 67 67 A V H <> S+ 0 0 4 -3,-1.4 4,-1.5 58,-0.3 -1,-0.2 0.951 108.7 43.1 -66.0 -46.1 14.9 -6.7 -22.1 68 68 A L H < S+ 0 0 99 -4,-1.0 -2,-0.2 1,-0.2 -1,-0.2 0.877 121.6 41.5 -66.8 -36.4 18.2 -8.7 -21.9 69 69 A S H < S+ 0 0 89 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.879 124.4 29.8 -78.4 -39.7 17.8 -9.9 -25.5 70 70 A N H < S+ 0 0 41 -4,-2.7 42,-2.8 49,-0.3 2,-0.3 0.479 109.7 57.9-107.5 -5.4 16.6 -6.8 -27.3 71 71 A F E < -K 111 0D 15 -4,-1.5 2,-0.5 40,-0.3 38,-0.0 -0.920 58.2-142.2-131.4 149.6 18.0 -3.8 -25.5 72 72 A S E -K 110 0D 64 38,-2.7 38,-2.9 -2,-0.3 2,-0.3 -0.948 40.6-159.0-102.9 133.0 21.2 -2.2 -24.4 73 73 A G E -KL 109 84D 17 11,-0.8 11,-1.9 -2,-0.5 2,-0.3 -0.782 27.7-174.6-121.8 156.8 20.7 -0.6 -21.0 74 74 A T E -KL 108 83D 56 34,-1.9 34,-2.9 -2,-0.3 2,-0.4 -0.967 16.9-146.7-132.6 154.6 21.9 1.9 -18.5 75 75 A V E -KL 107 82D 0 7,-2.9 7,-2.5 -2,-0.3 2,-0.5 -0.986 4.5-153.3-121.4 134.7 20.7 2.5 -15.0 76 76 A K E -KL 106 81D 95 30,-2.8 30,-2.0 -2,-0.4 2,-0.5 -0.940 13.8-176.3-103.7 124.4 20.6 5.9 -13.3 77 77 A Y E > -KL 105 80D 4 3,-3.3 3,-1.1 -2,-0.5 28,-0.2 -0.941 67.5 -32.0-125.6 110.4 20.9 5.8 -9.5 78 78 A S T 3 S- 0 0 72 26,-2.2 -1,-0.1 -2,-0.5 27,-0.1 0.916 131.2 -34.0 48.5 52.1 20.7 9.1 -7.6 79 79 A G T 3 S+ 0 0 57 25,-0.2 2,-0.4 1,-0.2 -1,-0.3 0.233 119.6 95.2 92.0 -1.9 22.2 11.2 -10.3 80 80 A S E < -L 77 0D 57 -3,-1.1 -3,-3.3 2,-0.0 2,-0.4 -0.908 58.4-138.2-131.3 150.5 24.8 8.7 -11.8 81 81 A S E +L 76 0D 77 -2,-0.4 -5,-0.2 -5,-0.2 -7,-0.0 -0.766 21.7 168.0-116.6 139.6 24.8 6.4 -14.6 82 82 A Y E -L 75 0D 51 -7,-2.5 -7,-2.9 -2,-0.4 4,-0.1 -0.940 42.9 -82.5-142.7 159.9 26.0 2.8 -14.9 83 83 A P E -L 74 0D 72 0, 0.0 -9,-0.3 0, 0.0 4,-0.3 -0.332 50.8-117.4 -58.7 147.4 25.8 -0.1 -17.4 84 84 A F E S+L 73 0D 8 -11,-1.9 -11,-0.8 2,-0.1 2,-0.2 -0.979 105.6 49.2-132.5 123.8 22.6 -2.2 -17.0 85 85 A P S S- 0 0 56 0, 0.0 -23,-0.2 0, 0.0 -10,-0.1 0.435 114.8-116.5 -57.8 148.8 22.9 -5.2 -16.2 86 86 A T - 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