==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION 28-AUG-08 2JKN . 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 . 835 6 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45156.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 540 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 331 39.6 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 . 4 0.5 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 . 95 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 7.5 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 . 5 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 . 0 12 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 1 5 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 74 0, 0.0 2,-0.3 0, 0.0 137,-0.0 0.000 360.0 360.0 360.0 69.6 32.1 18.2 8.7 2 1 A S - 0 0 72 137,-3.0 137,-0.8 2,-0.0 2,-0.4 -0.996 360.0-134.4-144.8 145.4 35.9 18.2 8.5 3 2 A F E -A 138 0A 35 -2,-0.3 135,-0.2 135,-0.2 99,-0.0 -0.777 11.5-161.1 -95.8 132.8 38.7 19.5 6.3 4 3 A T E -A 137 0A 51 133,-2.8 133,-2.0 -2,-0.4 2,-0.2 -0.958 23.1-129.6-110.3 114.0 41.7 17.3 5.4 5 4 A P E +A 136 0A 93 0, 0.0 131,-0.3 0, 0.0 2,-0.1 -0.446 47.7 146.8 -63.1 127.1 44.7 19.3 4.1 6 5 A S E + 0 0 75 129,-2.4 2,-0.3 -2,-0.2 -2,-0.1 -0.486 45.9 32.3-166.6 84.5 45.8 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 85.3 -54.4 155.3-167.4 47.2 20.0 -1.8 8 7 A T E - 0 0 126 -2,-0.3 127,-2.6 126,-0.1 2,-0.4 -0.403 46.6-105.7-103.2 178.7 49.2 23.2 -2.2 9 8 A T E -A 134 0A 78 125,-0.2 2,-0.4 -2,-0.1 125,-0.2 -0.896 19.9-161.4-113.1 134.1 48.9 26.8 -0.9 10 9 A G E -A 133 0A 28 123,-3.0 123,-2.8 -2,-0.4 2,-0.5 -0.924 9.1-158.2-112.6 132.3 47.8 29.9 -2.8 11 10 A T E -A 132 0A 71 -2,-0.4 2,-0.6 121,-0.2 121,-0.2 -0.963 2.3-160.8-117.5 123.0 48.6 33.3 -1.4 12 11 A T E -A 131 0A 14 119,-3.2 119,-2.6 -2,-0.5 2,-0.4 -0.900 16.3-173.0-103.8 121.2 46.6 36.4 -2.4 13 12 A K E +A 130 0A 138 -2,-0.6 2,-0.4 117,-0.2 117,-0.2 -0.920 10.9 174.7-120.0 141.0 48.5 39.6 -1.7 14 13 A L E -A 129 0A 1 115,-2.6 115,-3.2 -2,-0.4 2,-0.5 -0.976 18.0-152.6-143.9 130.7 47.4 43.2 -1.9 15 14 A T E -Ab 128 30A 40 14,-2.4 16,-2.4 -2,-0.4 2,-0.4 -0.903 15.5-155.8-102.8 125.2 49.2 46.4 -1.0 16 15 A V E +Ab 127 31A 2 111,-3.0 111,-1.6 -2,-0.5 2,-0.2 -0.886 20.8 169.8 -98.0 138.6 46.8 49.3 -0.1 17 16 A T E - b 0 32A 23 14,-2.3 16,-1.9 -2,-0.4 17,-0.2 -0.749 34.1 -99.5-133.7-178.1 48.1 52.8 -0.4 18 17 A E - 0 0 108 2,-0.5 -1,-0.1 -2,-0.2 0, 0.0 -0.332 54.0 -86.1 -90.8-178.4 46.9 56.4 -0.4 19 18 A K S S+ 0 0 183 -2,-0.1 2,-0.9 1,-0.1 13,-0.1 0.878 123.5 66.1 -57.1 -42.6 46.2 58.4 -3.6 20 19 A a S S- 0 0 101 2,-0.0 -2,-0.5 0, 0.0 2,-0.5 -0.795 81.5-178.0 -84.4 107.2 49.9 59.4 -3.7 21 20 A Q - 0 0 55 -2,-0.9 2,-0.7 -4,-0.1 -2,-0.1 -0.961 19.9-161.6-121.2 124.4 51.3 55.9 -4.3 22 21 A V - 0 0 119 -2,-0.5 2,-0.6 2,-0.0 -2,-0.0 -0.881 7.5-158.3-114.5 101.6 55.0 55.0 -4.7 23 22 A R - 0 0 132 -2,-0.7 2,-0.5 7,-0.0 4,-0.1 -0.720 11.3-170.2 -82.9 119.5 55.7 51.7 -6.3 24 23 A V - 0 0 130 -2,-0.6 2,-0.1 2,-0.1 -2,-0.0 -0.922 49.6 -17.4-113.5 128.2 59.2 50.4 -5.4 25 24 A G S S+ 0 0 68 -2,-0.5 3,-0.1 2,-0.0 -2,-0.0 -0.356 110.2 6.0 77.3-162.7 60.7 47.4 -7.1 26 25 A D S S- 0 0 147 1,-0.1 -2,-0.1 -2,-0.1 0, 0.0 -0.139 88.7 -85.6 -58.8 152.6 58.9 44.8 -9.2 27 26 A L + 0 0 157 -4,-0.1 2,-0.3 3,-0.0 -1,-0.1 -0.253 55.2 166.1 -56.6 132.1 55.2 45.1 -10.1 28 27 A T - 0 0 89 -3,-0.1 2,-0.5 -13,-0.0 -14,-0.1 -0.901 48.6 -77.8-138.7 169.5 52.9 43.7 -7.4 29 28 A V + 0 0 78 -2,-0.3 -14,-2.4 -16,-0.2 2,-0.3 -0.607 61.8 163.7 -75.9 116.6 49.1 44.1 -6.9 30 29 A A E +b 15 0A 17 -2,-0.5 2,-0.3 -16,-0.2 -14,-0.2 -0.998 13.7 176.9-138.5 142.5 48.5 47.5 -5.4 31 30 A K E -b 16 0A 36 -16,-2.4 -14,-2.3 -2,-0.3 2,-0.1 -0.983 31.3-116.1-140.5 151.4 45.4 49.7 -5.0 32 31 A T E > -b 17 0A 30 -2,-0.3 3,-1.4 -16,-0.2 4,-0.3 -0.456 36.3-113.3 -76.9 157.6 44.6 53.0 -3.4 33 32 A R G > S+ 0 0 86 -16,-1.9 3,-2.0 1,-0.3 91,-0.2 0.900 118.5 65.4 -63.9 -27.6 42.1 52.7 -0.5 34 33 A G G 3 S+ 0 0 48 1,-0.3 -1,-0.3 -17,-0.2 88,-0.1 0.745 95.5 58.5 -62.9 -22.4 39.7 54.7 -2.7 35 34 A Q G < S+ 0 0 99 -3,-1.4 2,-1.9 1,-0.2 -1,-0.3 0.526 77.3 95.6 -85.4 -5.8 39.7 51.7 -5.1 36 35 A L < + 0 0 0 -3,-2.0 85,-2.9 -4,-0.3 -1,-0.2 -0.331 57.4 151.5 -84.0 56.8 38.5 49.3 -2.4 37 36 A T > - 0 0 45 -2,-1.9 3,-2.1 83,-0.2 80,-0.2 -0.380 57.5 -67.5 -81.6 164.3 34.9 49.7 -3.4 38 37 A D T 3 S+ 0 0 33 1,-0.3 80,-0.2 -2,-0.1 -1,-0.2 -0.262 119.9 4.3 -56.9 131.4 32.2 47.0 -3.0 39 38 A A T 3 S+ 0 0 54 78,-2.4 -1,-0.3 1,-0.2 79,-0.1 0.515 86.5 159.2 71.2 7.1 32.8 43.9 -5.1 40 39 A A < - 0 0 8 -3,-2.1 77,-2.9 76,-0.1 -1,-0.2 -0.407 45.5-115.2 -60.9 129.1 36.1 45.2 -6.4 41 40 A P E -C 116 0A 81 0, 0.0 75,-0.2 0, 0.0 -1,-0.1 -0.460 32.0-179.4 -68.0 134.3 38.2 42.3 -7.7 42 41 A I E - 0 0 10 73,-3.1 74,-0.2 1,-0.3 -29,-0.1 0.776 59.6 -61.0 -99.8 -41.8 41.4 41.7 -5.7 43 42 A G E -C 115 0A 20 72,-1.2 72,-1.9 -31,-0.1 -1,-0.3 -0.898 47.8 -90.2 169.2 165.8 42.6 38.7 -7.8 44 43 A P E -C 114 0A 97 0, 0.0 2,-0.4 0, 0.0 70,-0.2 -0.582 24.2-153.5 -92.3 156.6 42.0 35.2 -9.1 45 44 A V E -C 113 0A 15 68,-1.9 68,-2.9 -2,-0.2 2,-0.2 -0.981 15.4-140.5-128.1 117.1 43.1 32.0 -7.4 46 45 A T E -C 112 0A 110 -2,-0.4 2,-0.4 66,-0.2 66,-0.2 -0.559 17.0-169.9 -80.0 144.1 43.6 28.9 -9.6 47 46 A V E +C 111 0A 15 64,-2.5 64,-2.7 -2,-0.2 2,-0.4 -0.996 9.6 175.1-133.8 127.1 42.4 25.6 -8.4 48 47 A Q E -C 110 0A 154 -2,-0.4 2,-0.3 62,-0.2 62,-0.2 -0.929 11.0-167.1-133.6 109.3 43.2 22.3 -10.0 49 48 A A - 0 0 20 60,-2.1 2,-0.3 -2,-0.4 59,-0.1 -0.709 4.7-175.5 -97.0 147.8 42.1 19.0 -8.3 50 49 A L + 0 0 152 -2,-0.3 59,-0.1 1,-0.1 -2,-0.0 -0.995 67.1 14.0-140.1 137.9 43.3 15.5 -9.2 51 50 A G S S+ 0 0 70 -2,-0.3 3,-0.2 57,-0.1 -1,-0.1 0.705 87.8 116.9 72.6 24.6 42.2 12.2 -7.8 52 51 A a > + 0 0 23 1,-0.2 3,-1.5 2,-0.1 55,-1.5 -0.038 21.0 125.5-113.0 29.8 39.1 13.7 -6.2 53 52 A D T 3 S+ 0 0 126 1,-0.3 -1,-0.2 54,-0.2 53,-0.1 0.821 86.5 34.5 -57.8 -31.0 36.3 11.9 -8.1 54 53 A A T 3 S+ 0 0 68 -3,-0.2 2,-0.3 52,-0.1 -1,-0.3 0.197 112.6 71.5-112.3 18.7 34.8 10.7 -4.7 55 54 A R S < S- 0 0 121 -3,-1.5 52,-1.9 50,-0.1 2,-0.7 -0.952 78.7-114.2-132.6 159.4 35.7 13.8 -2.6 56 55 A Q E -dE 107 138A 13 82,-0.9 82,-2.4 -2,-0.3 50,-0.2 -0.759 35.6-127.4 -93.2 114.9 34.5 17.4 -2.2 57 56 A V E - E 0 137A 7 -2,-0.7 46,-2.9 50,-0.5 2,-0.3 -0.250 36.5-178.5 -59.1 140.9 37.3 19.8 -3.2 58 57 A A E -FE 102 136A 0 78,-2.5 78,-2.1 44,-0.2 2,-0.4 -0.979 25.8-153.2-144.6 156.8 37.9 22.4 -0.4 59 58 A L E -FE 101 135A 13 42,-2.1 42,-3.0 -2,-0.3 2,-0.5 -1.000 14.6-157.2-128.9 130.4 40.1 25.4 0.4 60 59 A K E -FE 100 134A 57 74,-2.7 74,-2.7 -2,-0.4 40,-0.2 -0.935 11.2-138.2-112.3 129.4 40.9 26.3 4.0 61 60 A A E - E 0 133A 0 38,-3.0 72,-0.2 -2,-0.5 5,-0.1 -0.553 32.6 -97.5 -79.5 146.1 41.9 29.9 5.0 62 61 A D > - 0 0 71 70,-1.9 3,-2.4 -2,-0.2 4,-0.2 -0.227 39.9-107.0 -55.5 152.8 44.7 30.4 7.4 63 62 A T G > S+ 0 0 105 1,-0.3 3,-1.0 2,-0.2 -1,-0.1 0.821 120.2 55.5 -51.0 -41.2 43.4 31.0 11.0 64 63 A D G 3 S+ 0 0 89 1,-0.2 -1,-0.3 10,-0.0 -2,-0.1 0.475 100.7 61.7 -74.3 -1.5 44.3 34.7 10.9 65 64 A N G < S+ 0 0 4 -3,-2.4 7,-2.3 67,-0.1 2,-0.3 0.308 102.0 47.3-108.6 5.9 42.1 35.1 7.7 66 65 A F E < +G 71 0A 23 -3,-1.0 2,-0.2 5,-0.2 5,-0.2 -0.998 45.8 154.0-148.8 156.4 38.7 34.1 9.1 67 66 A E E > +G 70 0A 115 3,-1.9 3,-2.1 -2,-0.3 32,-0.0 -0.848 69.6 7.3-172.3 139.1 36.2 34.6 12.0 68 67 A Q T 3 S- 0 0 148 1,-0.3 3,-0.1 -2,-0.2 0, 0.0 0.914 128.8 -53.4 54.2 49.3 32.5 34.3 12.4 69 68 A G T 3 S+ 0 0 53 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.481 115.9 115.8 66.3 1.8 31.8 32.9 8.9 70 69 A K E < -G 67 0A 80 -3,-2.1 -3,-1.9 15,-0.0 2,-0.3 -0.846 52.6-151.3-108.1 143.2 33.7 35.8 7.4 71 70 A F E +GH 66 84A 12 13,-0.6 13,-2.0 -2,-0.4 2,-0.3 -0.755 21.0 168.5-104.7 152.0 36.9 35.8 5.3 72 71 A F E - H 0 83A 5 -7,-2.3 11,-0.3 -2,-0.3 2,-0.2 -0.973 37.3-117.3-158.7 148.7 39.4 38.7 5.2 73 72 A L E - H 0 82A 0 9,-2.6 9,-2.3 -2,-0.3 2,-0.4 -0.539 39.7-144.6 -76.6 152.7 42.9 39.6 4.0 74 73 A I E -IH 130 81A 16 56,-2.1 56,-2.0 7,-0.2 7,-0.2 -0.969 10.0-112.7-126.4 142.0 45.0 40.5 7.1 75 74 A S E > -I 129 0A 8 5,-2.1 3,-2.1 -2,-0.4 54,-0.2 -0.169 34.8-103.4 -67.5 163.2 47.8 43.1 7.4 76 75 A D T 3 S+ 0 0 114 52,-1.2 -1,-0.1 1,-0.3 53,-0.1 0.848 124.1 51.1 -55.0 -36.7 51.4 42.2 8.0 77 76 A N T 3 S- 0 0 98 51,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.425 111.5-121.4 -84.9 2.7 51.0 43.2 11.7 78 77 A N S < S+ 0 0 81 -3,-2.1 -2,-0.1 2,-0.2 -1,-0.1 0.459 88.2 99.7 74.6 0.1 47.9 41.0 12.1 79 78 A R + 0 0 195 1,-0.1 2,-0.4 -5,-0.0 -1,-0.1 0.885 63.8 60.5 -84.8 -48.4 45.9 44.0 13.1 80 79 A D - 0 0 49 45,-0.0 -5,-2.1 2,-0.0 2,-0.3 -0.801 62.5-155.1-100.7 134.5 43.9 45.3 10.1 81 80 A K E -H 74 0A 70 -2,-0.4 2,-0.5 -7,-0.2 -7,-0.2 -0.739 11.5-165.8-104.5 146.9 41.2 43.3 8.2 82 81 A L E -H 73 0A 0 -9,-2.3 -9,-2.6 -2,-0.3 2,-0.2 -0.948 27.1-139.7-128.7 100.8 40.0 43.7 4.6 83 82 A Y E -H 72 0A 77 -2,-0.5 35,-2.7 -11,-0.3 2,-0.3 -0.452 27.4-179.1 -66.5 135.1 36.8 41.7 4.3 84 83 A V E -HJ 71 117A 3 -13,-2.0 -13,-0.6 33,-0.3 2,-0.4 -0.910 27.2-134.1-132.4 161.3 36.3 39.7 1.1 85 84 A N E - 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