==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION 28-AUG-08 2JKL . 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 . 833 8 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45340.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 532 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 329 39.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 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 . 12 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 5 0.6 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 . 91 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 7.2 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+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 . 2 0 6 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 . 2 10 6 12 6 6 6 0 0 0 5 1 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 4 2 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 0 A G 0 0 87 0, 0.0 2,-0.4 0, 0.0 137,-0.0 0.000 360.0 360.0 360.0 138.1 32.6 18.9 9.0 2 1 A S - 0 0 72 137,-1.9 137,-1.3 2,-0.0 2,-0.4 -0.978 360.0-151.9-142.6 128.3 36.3 18.1 8.7 3 2 A F E -A 138 0A 34 -2,-0.4 135,-0.2 135,-0.2 99,-0.0 -0.825 5.8-159.0-100.1 132.8 39.0 19.4 6.4 4 3 A T E -A 137 0A 49 133,-3.0 133,-1.8 -2,-0.4 2,-0.2 -0.934 20.1-131.1-111.1 111.2 42.0 17.3 5.3 5 4 A P E +A 136 0A 96 0, 0.0 131,-0.3 0, 0.0 2,-0.1 -0.410 47.4 145.4 -60.6 124.6 45.0 19.3 4.2 6 5 A S E + 0 0 76 129,-2.2 2,-0.3 -2,-0.2 -2,-0.1 -0.487 46.4 32.5-165.3 83.9 46.1 17.8 0.8 7 6 A G E S- 0 0 61 -2,-0.1 2,-0.1 42,-0.1 42,-0.0 -0.969 84.6 -55.3 158.2-167.5 47.5 20.1 -1.8 8 7 A T E - 0 0 125 -2,-0.3 127,-2.5 126,-0.1 2,-0.4 -0.414 46.3-108.9-100.3 177.2 49.4 23.3 -2.2 9 8 A T E -A 134 0A 74 125,-0.2 2,-0.4 -2,-0.1 125,-0.2 -0.908 19.4-161.0-115.2 134.3 49.0 26.8 -0.9 10 9 A G E -A 133 0A 29 123,-2.8 123,-2.7 -2,-0.4 2,-0.5 -0.915 9.3-156.0-111.1 136.7 48.0 29.9 -2.9 11 10 A T E -A 132 0A 72 -2,-0.4 2,-0.6 121,-0.2 121,-0.2 -0.962 2.8-159.7-120.1 121.7 48.7 33.4 -1.4 12 11 A T E -A 131 0A 15 119,-3.2 119,-2.3 -2,-0.5 2,-0.4 -0.875 17.7-173.4 -99.6 119.5 46.7 36.5 -2.4 13 12 A K E +A 130 0A 142 -2,-0.6 2,-0.3 117,-0.2 117,-0.2 -0.898 10.7 174.4-117.8 146.2 48.6 39.7 -1.7 14 13 A L E -A 129 0A 1 115,-2.4 115,-3.1 -2,-0.4 2,-0.6 -0.960 18.6-151.5-150.3 129.4 47.5 43.3 -1.9 15 14 A T E -Ab 128 30A 39 14,-2.2 16,-2.4 -2,-0.3 2,-0.4 -0.898 16.1-154.5-102.4 123.6 49.3 46.5 -1.0 16 15 A V E +Ab 127 31A 3 111,-2.9 111,-1.5 -2,-0.6 2,-0.2 -0.838 21.6 168.5 -98.2 136.4 46.9 49.3 -0.0 17 16 A T E - b 0 32A 22 14,-2.0 16,-2.2 -2,-0.4 17,-0.2 -0.793 33.8-101.9-135.0 179.4 48.1 52.9 -0.4 18 17 A E - 0 0 105 2,-0.6 -1,-0.1 -2,-0.2 0, 0.0 -0.269 55.0 -83.5 -90.3-175.3 46.9 56.5 -0.4 19 18 A K S S+ 0 0 197 -2,-0.1 2,-0.9 1,-0.1 13,-0.1 0.907 124.0 66.2 -58.7 -43.5 46.2 58.5 -3.6 20 19 A a S S- 0 0 105 2,-0.0 -2,-0.6 0, 0.0 2,-0.5 -0.753 80.5-177.0 -82.7 108.2 49.9 59.4 -3.7 21 20 A Q - 0 0 57 -2,-0.9 2,-0.7 -4,-0.1 -2,-0.0 -0.958 18.3-162.2-118.4 124.4 51.3 55.9 -4.4 22 21 A V - 0 0 118 -2,-0.5 2,-0.7 2,-0.0 -2,-0.0 -0.877 6.8-160.0-113.9 103.0 55.0 55.1 -4.6 23 22 A R - 0 0 131 -2,-0.7 2,-0.5 7,-0.0 4,-0.1 -0.719 10.1-170.3 -85.9 117.1 55.8 51.8 -6.3 24 23 A V - 0 0 131 -2,-0.7 2,-0.1 2,-0.1 -2,-0.0 -0.915 49.7 -18.9-111.8 126.4 59.3 50.5 -5.4 25 24 A G S S+ 0 0 66 -2,-0.5 3,-0.1 2,-0.0 -2,-0.0 -0.413 110.4 8.2 80.6-158.8 60.9 47.5 -7.2 26 25 A D S S- 0 0 149 1,-0.1 -2,-0.1 -2,-0.1 0, 0.0 -0.159 88.6 -87.7 -61.1 149.7 59.0 44.9 -9.2 27 26 A L + 0 0 152 -4,-0.1 2,-0.3 1,-0.0 -1,-0.1 -0.270 54.3 166.7 -57.1 136.5 55.3 45.2 -10.1 28 27 A T - 0 0 88 -3,-0.1 2,-0.5 -13,-0.0 -14,-0.1 -0.913 47.8 -76.4-143.4 167.9 53.0 43.8 -7.4 29 28 A V + 0 0 76 -2,-0.3 -14,-2.2 -16,-0.1 2,-0.3 -0.584 62.6 160.5 -73.8 118.0 49.2 44.1 -6.8 30 29 A A E +b 15 0A 16 -2,-0.5 2,-0.3 -16,-0.2 -14,-0.2 -0.997 14.9 177.3-141.1 144.4 48.6 47.5 -5.3 31 30 A K E -b 16 0A 35 -16,-2.4 -14,-2.0 -2,-0.3 2,-0.1 -0.987 31.5-115.3-143.1 150.5 45.5 49.7 -5.0 32 31 A T E > -b 17 0A 31 -2,-0.3 3,-1.6 -16,-0.2 4,-0.3 -0.484 36.2-113.5 -78.4 156.1 44.6 53.0 -3.4 33 32 A R G > S+ 0 0 86 -16,-2.2 3,-1.6 1,-0.3 91,-0.2 0.834 117.5 66.2 -63.0 -25.4 42.2 52.7 -0.6 34 33 A G G 3 S+ 0 0 48 1,-0.3 -1,-0.3 -17,-0.2 88,-0.1 0.730 95.0 58.6 -64.9 -21.3 39.7 54.7 -2.8 35 34 A Q G < S+ 0 0 93 -3,-1.6 2,-1.9 1,-0.2 -1,-0.3 0.505 76.8 96.5 -86.0 -6.4 39.7 51.7 -5.1 36 35 A L < + 0 0 0 -3,-1.6 85,-2.9 -4,-0.3 -1,-0.2 -0.319 56.6 151.6 -82.4 56.4 38.5 49.3 -2.4 37 36 A T > - 0 0 44 -2,-1.9 3,-2.1 83,-0.2 80,-0.2 -0.366 57.9 -69.6 -81.7 165.3 34.9 49.7 -3.5 38 37 A D T 3 S+ 0 0 35 1,-0.3 80,-0.2 80,-0.1 -1,-0.2 -0.308 120.3 6.1 -59.0 130.6 32.2 47.0 -3.0 39 38 A A T 3 S+ 0 0 57 78,-2.7 -1,-0.3 1,-0.2 79,-0.1 0.533 86.7 158.5 73.7 8.3 32.8 43.9 -5.2 40 39 A A < - 0 0 8 -3,-2.1 77,-2.8 77,-0.1 -1,-0.2 -0.441 45.6-115.0 -64.1 131.3 36.2 45.3 -6.4 41 40 A P E -C 116 0A 83 0, 0.0 75,-0.2 0, 0.0 -1,-0.1 -0.454 32.4-179.9 -71.1 136.4 38.3 42.4 -7.7 42 41 A I E - 0 0 10 73,-3.1 74,-0.2 1,-0.3 -29,-0.1 0.776 58.7 -60.0-100.8 -43.1 41.5 41.7 -5.8 43 42 A G E -C 115 0A 22 72,-1.1 72,-1.4 -31,-0.1 -1,-0.3 -0.843 47.4 -94.8 165.3 156.0 42.8 38.7 -7.9 44 43 A P E -C 114 0A 99 0, 0.0 2,-0.4 0, 0.0 70,-0.2 -0.531 23.7-152.0 -87.8 157.9 42.0 35.2 -9.1 45 44 A V E -C 113 0A 18 68,-1.9 68,-2.7 -2,-0.2 2,-0.2 -0.988 15.6-139.4-129.3 116.9 43.2 32.0 -7.4 46 45 A T E -C 112 0A 109 -2,-0.4 2,-0.4 66,-0.2 66,-0.2 -0.545 16.9-168.2 -78.3 146.5 43.7 29.0 -9.7 47 46 A V E +C 111 0A 14 64,-2.4 64,-2.7 -2,-0.2 2,-0.4 -0.995 10.6 174.4-136.4 127.4 42.5 25.6 -8.4 48 47 A Q E -C 110 0A 156 -2,-0.4 2,-0.3 62,-0.2 62,-0.2 -0.926 10.9-167.9-135.7 109.4 43.4 22.2 -10.1 49 48 A A - 0 0 20 60,-1.9 2,-0.3 -2,-0.4 59,-0.1 -0.734 4.5-176.1 -99.5 146.4 42.3 19.0 -8.3 50 49 A L + 0 0 153 -2,-0.3 59,-0.1 1,-0.1 -2,-0.0 -0.997 66.6 15.1-141.3 137.7 43.5 15.5 -9.2 51 50 A G S S+ 0 0 70 -2,-0.3 3,-0.3 57,-0.1 -1,-0.1 0.678 87.1 117.5 74.6 20.3 42.5 12.2 -7.8 52 51 A a > + 0 0 23 1,-0.2 55,-1.5 2,-0.1 3,-1.4 -0.060 19.8 127.2-109.6 33.7 39.4 13.6 -6.1 53 52 A D T 3 S+ 0 0 123 1,-0.3 -1,-0.2 54,-0.2 53,-0.1 0.793 87.1 32.0 -59.7 -27.7 36.7 11.7 -8.0 54 53 A A T 3 S+ 0 0 46 -3,-0.3 2,-0.3 52,-0.1 -1,-0.3 0.138 111.3 73.3-118.2 21.1 35.2 10.7 -4.6 55 54 A R S < S- 0 0 120 -3,-1.4 52,-1.8 50,-0.1 2,-0.7 -0.942 78.5-114.9-131.7 157.3 36.0 13.7 -2.4 56 55 A Q E -D 138 0A 14 82,-0.9 82,-2.4 -2,-0.3 50,-0.2 -0.814 36.1-125.8 -93.4 117.1 34.7 17.3 -2.1 57 56 A V E +D 137 0A 6 -2,-0.7 46,-2.9 50,-0.5 2,-0.3 -0.280 37.2 180.0 -60.6 141.4 37.4 19.7 -3.1 58 57 A A E -DE 136 102A 0 78,-2.5 78,-2.0 44,-0.2 2,-0.4 -0.980 26.7-152.8-146.5 157.5 38.1 22.4 -0.4 59 58 A L E -DE 135 101A 16 42,-2.1 42,-3.0 -2,-0.3 2,-0.5 -0.998 15.4-157.2-129.5 131.4 40.3 25.4 0.4 60 59 A K E -DE 134 100A 57 74,-2.6 74,-2.8 -2,-0.4 40,-0.2 -0.953 11.3-138.0-114.1 130.4 41.1 26.3 4.0 61 60 A A E -D 133 0A 1 38,-2.7 72,-0.2 -2,-0.5 5,-0.1 -0.542 32.5 -96.2 -82.2 149.2 42.1 29.9 5.0 62 61 A D > - 0 0 70 70,-1.8 3,-2.3 -2,-0.2 4,-0.3 -0.241 40.1-107.2 -58.6 152.6 44.9 30.5 7.5 63 62 A T G > S+ 0 0 107 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.824 120.5 55.3 -52.2 -36.9 43.6 31.0 11.0 64 63 A D G 3 S+ 0 0 88 1,-0.2 -1,-0.3 10,-0.0 -2,-0.1 0.469 100.7 61.5 -77.8 -1.9 44.4 34.7 10.8 65 64 A N G < S+ 0 0 4 -3,-2.3 7,-2.4 67,-0.1 2,-0.3 0.338 102.0 46.8-107.8 3.9 42.3 35.1 7.7 66 65 A F E < +F 71 0A 25 -3,-0.9 2,-0.2 -4,-0.3 5,-0.2 -0.999 47.8 160.4-147.8 151.5 38.9 34.1 9.0 67 66 A E E > -F 70 0A 118 3,-1.9 3,-0.7 -2,-0.3 -3,-0.0 -0.787 69.8 -1.0-168.8 121.1 36.6 34.7 12.0 68 67 A Q T 3 S- 0 0 183 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 0.951 127.6 -49.5 62.9 55.1 32.9 34.2 12.4 69 68 A G T 3 S+ 0 0 53 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.489 116.4 112.0 66.3 2.3 31.9 32.9 9.0 70 69 A K E < -F 67 0A 100 -3,-0.7 -3,-1.9 15,-0.0 2,-0.3 -0.879 54.2-150.4-113.4 145.0 33.8 35.8 7.4 71 70 A F E +FG 66 84A 12 13,-0.6 13,-2.0 -2,-0.4 2,-0.3 -0.791 22.0 166.2-106.6 151.2 37.0 35.8 5.3 72 71 A F E - G 0 83A 5 -7,-2.4 11,-0.3 -2,-0.3 2,-0.2 -0.971 38.2-116.7-161.8 147.8 39.5 38.7 5.1 73 72 A L E - G 0 82A 0 9,-2.6 9,-2.1 -2,-0.3 2,-0.4 -0.529 39.9-144.3 -76.8 152.6 43.0 39.6 4.0 74 73 A I E -HG 130 81A 18 56,-2.2 56,-2.1 7,-0.2 7,-0.2 -0.968 9.9-113.3-126.2 141.4 45.1 40.6 7.0 75 74 A S E > -H 129 0A 7 5,-2.2 3,-2.1 -2,-0.4 54,-0.2 -0.166 35.7-102.6 -65.4 163.3 47.8 43.2 7.4 76 75 A D T 3 S+ 0 0 113 52,-1.2 -1,-0.1 1,-0.3 53,-0.1 0.834 123.7 51.4 -56.6 -35.3 51.4 42.3 8.0 77 76 A N T 3 S- 0 0 96 51,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.376 111.8-120.6 -86.8 7.2 51.1 43.2 11.7 78 77 A N S < S+ 0 0 83 -3,-2.1 -2,-0.1 2,-0.1 -1,-0.0 0.524 88.2 100.5 70.4 5.7 47.9 41.1 12.1 79 78 A R + 0 0 195 1,-0.1 2,-0.4 -5,-0.0 -1,-0.1 0.865 63.7 59.2 -91.2 -43.2 45.9 44.1 13.1 80 79 A D - 0 0 49 45,-0.0 -5,-2.2 2,-0.0 2,-0.3 -0.801 63.0-154.0-102.7 136.8 43.9 45.3 10.1 81 80 A K E -G 74 0A 68 -2,-0.4 2,-0.5 -7,-0.2 -7,-0.2 -0.785 12.6-165.9-108.7 148.0 41.3 43.4 8.1 82 81 A L E -G 73 0A 0 -9,-2.1 -9,-2.6 -2,-0.3 2,-0.2 -0.931 27.0-141.2-128.3 98.6 40.0 43.7 4.5 83 82 A Y E +G 72 0A 75 -2,-0.5 35,-2.7 -11,-0.3 2,-0.3 -0.427 26.5 179.7 -65.2 135.4 36.8 41.7 4.3 84 83 A V E -GI 71 117A 3 -13,-2.0 -13,-0.6 33,-0.3 2,-0.4 -0.902 27.1-131.4-133.8 164.0 36.4 39.7 1.1 85 84 A N E - 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