==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION 11-DEC-08 2W5P . COMPND 2 MOLECULE: DR HEMAGGLUTININ STRUCTURAL SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.M.PETTIGREW,P.ROVERSI,S.G.DAVIES,A.J.RUSSELL,S.M.LEA . 418 4 3 0 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19168.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 290 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 182 43.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), 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 . 5 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 . 48 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 7.4 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 . 4 0 3 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 PARALLEL BRIDGES PER LADDER . 1 5 3 9 3 3 3 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 2 1 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 0 A G 0 0 82 0, 0.0 2,-0.4 0, 0.0 139,-0.3 0.000 360.0 360.0 360.0 130.8 -26.8 18.0 -22.0 2 1 A S E -A 139 0A 74 137,-5.1 137,-1.1 2,-0.0 2,-0.4 -0.984 360.0-145.8-142.8 133.7 -23.1 18.2 -21.9 3 2 A F E -A 138 0A 28 -2,-0.4 135,-0.2 135,-0.2 99,-0.0 -0.760 8.9-160.4 -96.5 131.0 -20.2 16.5 -20.0 4 3 A T E -A 137 0A 46 133,-3.1 133,-1.9 -2,-0.4 2,-0.1 -0.941 19.8-133.3-110.0 112.9 -17.1 18.4 -19.1 5 4 A P E +A 136 0A 75 0, 0.0 131,-0.3 0, 0.0 154,-0.1 -0.444 44.9 147.9 -65.7 126.8 -14.2 16.1 -18.3 6 5 A S E + 0 0 1 129,-2.5 157,-2.1 -2,-0.1 2,-0.3 -0.449 46.2 30.4-165.6 83.2 -12.6 17.4 -15.1 7 6 A G E S-b 163 0A 6 150,-0.3 157,-0.2 155,-0.3 2,-0.1 -0.934 88.0 -45.4 153.9-170.8 -11.0 14.8 -12.7 8 7 A T E - 0 0 5 155,-1.3 127,-2.2 -2,-0.3 2,-0.5 -0.445 44.3-119.8 -93.5 166.4 -9.3 11.5 -12.8 9 8 A T E -A 134 0A 54 125,-0.2 2,-0.4 -2,-0.1 125,-0.2 -0.908 20.9-161.2-109.6 125.9 -10.0 8.3 -14.5 10 9 A G E -A 133 0A 8 123,-2.8 123,-2.5 -2,-0.5 2,-0.6 -0.924 4.9-155.7-110.3 131.5 -10.7 5.1 -12.6 11 10 A T E -A 132 0A 64 -2,-0.4 2,-0.6 121,-0.2 121,-0.2 -0.951 3.1-154.0-113.7 114.8 -10.4 1.7 -14.3 12 11 A T E -A 131 0A 23 119,-3.2 119,-2.0 -2,-0.6 2,-0.4 -0.812 13.0-165.5 -87.3 118.6 -12.3 -1.3 -12.9 13 12 A K E -A 130 0A 140 -2,-0.6 16,-0.4 117,-0.2 2,-0.4 -0.886 7.9-179.2-107.1 133.2 -10.6 -4.6 -13.7 14 13 A L E -A 129 0A 0 115,-2.6 115,-3.1 -2,-0.4 2,-0.6 -1.000 14.9-154.7-129.6 134.1 -12.5 -7.9 -13.3 15 14 A T E -Ac 128 30A 7 14,-2.1 16,-2.5 -2,-0.4 2,-0.5 -0.957 11.0-155.3-108.9 121.8 -11.1 -11.3 -14.1 16 15 A V E +Ac 127 31A 1 111,-2.6 111,-1.5 -2,-0.6 273,-0.3 -0.850 24.4 171.0 -96.3 130.5 -13.8 -13.9 -14.9 17 16 A T E - c 0 32A 0 14,-2.1 16,-2.2 -2,-0.5 17,-0.2 -0.745 34.3-102.3-128.4 176.9 -12.7 -17.5 -14.1 18 17 A E - 0 0 38 2,-0.5 -1,-0.1 -2,-0.2 270,-0.0 -0.282 56.9 -84.0 -85.1-173.6 -13.9 -21.1 -13.9 19 18 A K S S+ 0 0 151 -2,-0.1 2,-0.7 13,-0.1 13,-0.1 0.898 122.0 65.9 -61.3 -45.0 -14.6 -22.7 -10.5 20 19 A a S S- 0 0 4 314,-0.1 -2,-0.5 311,-0.1 2,-0.5 -0.770 79.4-173.3 -81.4 114.6 -11.0 -23.6 -10.0 21 20 A Q E -N 332 0B 10 311,-3.1 311,-2.6 -2,-0.7 2,-0.6 -0.975 15.9-162.8-123.2 121.1 -9.5 -20.2 -9.8 22 21 A V E -No 331 289B 0 266,-2.3 268,-1.1 -2,-0.5 2,-0.4 -0.907 7.8-158.5-113.4 102.6 -5.7 -19.6 -9.6 23 22 A R E -N 330 0B 52 307,-2.6 307,-2.5 -2,-0.6 2,-0.4 -0.700 10.7-171.1 -83.0 123.6 -4.7 -16.1 -8.4 24 23 A V E -N 329 0B 1 -2,-0.4 305,-0.2 305,-0.2 392,-0.1 -0.989 50.6 -14.0-119.3 128.4 -1.2 -15.1 -9.4 25 24 A G S S+ 0 0 22 303,-2.7 3,-0.1 -2,-0.4 267,-0.1 -0.378 110.7 3.8 79.6-161.0 0.5 -12.0 -8.1 26 25 A D S S- 0 0 137 1,-0.1 -2,-0.2 -2,-0.1 301,-0.0 -0.147 89.1 -83.0 -66.4 151.1 -1.2 -9.2 -6.2 27 26 A L + 0 0 155 -4,-0.1 2,-0.3 263,-0.0 -1,-0.1 -0.213 56.2 160.1 -52.0 134.9 -4.8 -9.2 -5.2 28 27 A T - 0 0 57 -3,-0.1 2,-0.5 -13,-0.0 -14,-0.1 -0.928 48.1 -79.4-148.2 165.6 -7.3 -8.1 -7.8 29 28 A V + 0 0 62 -16,-0.4 -14,-2.1 -2,-0.3 2,-0.4 -0.586 53.6 166.3 -76.4 120.3 -11.1 -8.7 -8.3 30 29 A A E -c 15 0A 7 -2,-0.5 2,-0.3 -16,-0.2 -14,-0.2 -0.984 10.8-178.3-132.6 145.8 -11.9 -12.0 -9.7 31 30 A K E -c 16 0A 49 -16,-2.5 -14,-2.1 -2,-0.4 2,-0.1 -0.993 28.3-119.0-142.5 142.1 -15.3 -13.8 -9.9 32 31 A T E > -c 17 0A 28 -2,-0.3 3,-1.3 -16,-0.2 4,-0.2 -0.483 31.4-115.1 -74.3 160.0 -16.2 -17.2 -11.3 33 32 A R G > S+ 0 0 88 -16,-2.2 3,-1.6 1,-0.3 91,-0.2 0.846 116.5 63.8 -64.9 -27.6 -18.6 -17.2 -14.2 34 33 A G G 3 S+ 0 0 51 1,-0.3 -1,-0.3 -17,-0.2 88,-0.1 0.706 95.9 60.1 -66.2 -19.4 -21.2 -19.0 -11.9 35 34 A Q G < S+ 0 0 87 -3,-1.3 2,-1.5 1,-0.2 -1,-0.3 0.504 76.8 95.7 -85.7 -6.0 -21.1 -15.9 -9.7 36 35 A L < + 0 0 1 -3,-1.6 85,-2.9 -4,-0.2 -1,-0.2 -0.260 53.6 146.8 -86.8 60.5 -22.4 -13.6 -12.5 37 36 A T > - 0 0 65 -2,-1.5 3,-2.3 83,-0.2 80,-0.3 -0.400 63.7 -72.3 -88.9 157.4 -26.1 -13.7 -11.5 38 37 A D T 3 S+ 0 0 100 1,-0.3 80,-0.2 -2,-0.1 -1,-0.2 -0.350 122.2 11.0 -52.9 133.0 -28.4 -10.8 -12.1 39 38 A A T 3 S+ 0 0 61 78,-2.8 -1,-0.3 1,-0.3 79,-0.1 0.312 87.2 152.1 77.8 -3.2 -27.6 -8.1 -9.5 40 39 A A < - 0 0 13 -3,-2.3 77,-2.8 76,-0.1 -1,-0.3 -0.348 50.1-114.4 -60.2 134.3 -24.3 -9.7 -8.4 41 40 A P E +D 116 0A 79 0, 0.0 75,-0.3 0, 0.0 -1,-0.1 -0.427 32.5 179.5 -73.0 136.1 -21.8 -7.1 -7.1 42 41 A I E - 0 0 5 73,-3.8 74,-0.2 1,-0.3 72,-0.0 0.762 55.9 -67.5-101.6 -42.7 -18.7 -6.7 -9.2 43 42 A G E -D 115 0A 16 72,-1.3 72,-2.4 -29,-0.0 -1,-0.3 -0.956 46.6 -81.9 164.6 171.1 -17.0 -4.0 -7.2 44 43 A P E -D 114 0A 85 0, 0.0 2,-0.5 0, 0.0 70,-0.2 -0.580 18.2-154.6 -98.7 156.7 -16.9 -0.4 -6.0 45 44 A V E -D 113 0A 7 68,-1.4 68,-3.2 -2,-0.2 2,-0.3 -0.972 20.7-142.9-126.1 111.9 -15.7 2.8 -7.6 46 45 A T E -D 112 0A 68 -2,-0.5 120,-2.6 66,-0.2 2,-0.4 -0.566 20.1-171.7 -74.8 141.2 -14.8 5.4 -5.1 47 46 A V E +DE 111 165A 6 64,-2.3 64,-2.5 -2,-0.3 2,-0.4 -0.999 12.2 176.3-136.7 131.0 -15.6 8.9 -6.0 48 47 A Q E -DE 110 164A 91 116,-2.2 116,-3.0 -2,-0.4 2,-0.3 -0.920 10.5-163.7-137.7 115.3 -14.7 12.2 -4.4 49 48 A A E - E 0 163A 0 60,-2.0 2,-0.3 -2,-0.4 114,-0.2 -0.696 5.8-173.9 -92.5 146.6 -15.6 15.6 -5.8 50 49 A L E + E 0 162A 83 112,-2.4 112,-2.9 -2,-0.3 59,-0.1 -0.995 66.6 12.7-138.9 140.0 -14.1 18.9 -4.7 51 50 A G S S+ 0 0 26 -2,-0.3 3,-0.2 110,-0.2 112,-0.1 0.698 90.2 112.2 69.6 23.8 -15.0 22.5 -5.7 52 51 A b > + 0 0 0 110,-0.1 3,-1.9 1,-0.1 55,-1.2 -0.049 23.4 129.2-112.3 28.1 -18.3 21.4 -7.2 53 52 A D T 3 S+ 0 0 126 1,-0.3 -1,-0.1 54,-0.2 53,-0.0 0.826 87.4 32.0 -55.5 -27.6 -20.7 23.0 -4.7 54 53 A A T 3 S+ 0 0 85 -3,-0.2 2,-0.3 52,-0.1 -1,-0.3 0.109 112.1 76.1-112.9 15.9 -22.6 24.6 -7.6 55 54 A R S < S- 0 0 115 -3,-1.9 52,-2.0 50,-0.1 2,-0.7 -0.891 79.7-111.9-126.6 161.0 -22.1 21.8 -10.3 56 55 A Q E -fG 107 138A 27 82,-0.8 82,-2.3 -2,-0.3 50,-0.2 -0.822 33.9-130.5 -95.0 116.0 -23.5 18.4 -11.0 57 56 A V E + G 0 137A 0 -2,-0.7 46,-2.9 50,-0.5 2,-0.3 -0.337 35.5 176.0 -62.3 143.4 -20.9 15.6 -10.4 58 57 A A E -HG 102 136A 0 78,-2.8 78,-2.0 44,-0.2 2,-0.4 -0.983 26.6-150.2-149.2 157.7 -20.7 13.2 -13.3 59 58 A L E -HG 101 135A 1 42,-2.6 42,-2.5 -2,-0.3 2,-0.5 -0.994 13.2-156.6-124.5 137.1 -18.7 10.1 -14.6 60 59 A K E -HG 100 134A 62 74,-2.6 74,-2.5 -2,-0.4 40,-0.2 -0.947 12.1-140.6-116.6 126.9 -18.3 9.4 -18.3 61 60 A A E - G 0 133A 0 38,-2.9 72,-0.2 -2,-0.5 5,-0.1 -0.516 31.8 -94.7 -77.3 155.7 -17.6 5.8 -19.5 62 61 A D > - 0 0 66 70,-1.9 3,-2.3 -2,-0.2 -1,-0.1 -0.253 40.4-105.3 -63.5 152.5 -15.1 5.1 -22.2 63 62 A T G > S+ 0 0 118 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.820 120.6 52.5 -48.8 -42.1 -16.6 4.8 -25.7 64 63 A D G 3 S+ 0 0 66 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.174 100.2 65.3 -84.7 18.8 -16.2 1.0 -25.7 65 64 A N G < S+ 0 0 0 -3,-2.3 7,-2.2 1,-0.2 2,-0.3 0.180 99.9 47.2-120.2 9.8 -17.9 0.6 -22.3 66 65 A F E < -I 71 0A 27 -3,-0.9 5,-0.2 5,-0.2 2,-0.2 -0.956 46.1-178.8-151.5 133.8 -21.4 1.8 -23.3 67 66 A E E > -I 70 0A 86 3,-2.0 3,-0.6 -2,-0.3 4,-0.1 -0.665 68.7 -74.8-134.2 71.6 -23.7 0.8 -26.3 68 67 A Q T 3 S+ 0 0 69 1,-0.2 2,-0.5 -2,-0.2 3,-0.1 0.878 117.7 18.9 17.8 125.6 -26.5 3.1 -25.4 69 68 A G T 3 S+ 0 0 60 1,-0.0 2,-0.4 -3,-0.0 -1,-0.2 -0.514 121.2 73.5 97.8 -48.9 -29.0 2.5 -22.7 70 69 A K E < -I 67 0A 79 -3,-0.6 -3,-2.0 -2,-0.5 2,-0.3 -0.735 61.1-158.0-112.1 136.9 -26.4 0.1 -21.4 71 70 A F E +IJ 66 84A 8 13,-0.7 13,-2.1 -2,-0.4 2,-0.3 -0.711 25.7 170.7 -92.9 150.3 -23.0 0.2 -19.6 72 71 A F E - J 0 83A 6 -7,-2.2 2,-0.3 -2,-0.3 11,-0.2 -0.975 36.4-117.1-157.8 148.6 -20.7 -2.9 -19.8 73 72 A L E - J 0 82A 0 9,-2.3 9,-2.3 -2,-0.3 2,-0.4 -0.636 37.2-137.4 -78.3 142.5 -17.1 -4.0 -19.0 74 73 A I E -KJ 130 81A 9 56,-2.5 56,-2.2 -2,-0.3 7,-0.2 -0.919 11.2-121.5-109.0 136.8 -15.2 -4.9 -22.2 75 74 A S E > -K 129 0A 7 5,-2.9 3,-1.8 -2,-0.4 54,-0.2 -0.326 26.0-113.6 -66.2 159.4 -13.0 -7.9 -22.5 76 75 A D T 3 S+ 0 0 106 52,-1.7 -1,-0.1 1,-0.3 53,-0.1 0.708 119.5 65.3 -65.3 -21.7 -9.3 -7.4 -23.5 77 76 A N T 3 S- 0 0 79 51,-0.3 -1,-0.3 3,-0.1 52,-0.1 0.564 108.5-131.0 -77.0 -5.6 -10.3 -9.3 -26.8 78 77 A N S < S+ 0 0 107 -3,-1.8 -2,-0.1 2,-0.2 -1,-0.1 0.659 88.9 79.4 65.7 20.2 -12.5 -6.2 -27.4 79 78 A R + 0 0 200 1,-0.1 2,-0.2 2,-0.0 -1,-0.1 0.739 69.6 70.1-118.8 -58.5 -15.3 -8.6 -28.2 80 79 A D - 0 0 52 -6,-0.0 -5,-2.9 2,-0.0 2,-0.4 -0.513 61.5-164.6 -77.4 140.0 -17.0 -10.0 -25.1 81 80 A K E -J 74 0A 79 -7,-0.2 2,-0.5 -2,-0.2 -7,-0.2 -0.950 17.0-156.6-124.4 148.0 -19.0 -7.7 -22.9 82 81 A L E -J 73 0A 0 -9,-2.3 -9,-2.3 -2,-0.4 2,-0.2 -0.952 24.0-140.9-123.2 106.3 -20.4 -8.0 -19.4 83 82 A Y E +J 72 0A 54 -2,-0.5 35,-2.5 -11,-0.2 2,-0.3 -0.491 28.0 176.2 -68.7 140.9 -23.4 -5.7 -18.9 84 83 A V E -JL 71 117A 1 -13,-2.1 -13,-0.7 33,-0.3 2,-0.4 -0.944 29.1-137.5-141.3 160.2 -23.7 -3.9 -15.6 85 84 A N E - 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