==== 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 2JKJ . 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 . 831 8 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44900.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 541 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 326 39.2 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 . 11 1.3 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 . 103 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 7.0 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 . 1 0.1 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 . 3 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 . 1 10 7 11 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 1 0 0 0 0 1 0 0 2 3 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 70 0, 0.0 2,-0.4 0, 0.0 137,-0.0 0.000 360.0 360.0 360.0 13.1 32.4 18.7 8.9 2 1 A S - 0 0 65 137,-0.6 137,-1.5 2,-0.0 2,-0.4 -0.987 360.0-144.8-132.9 137.8 36.2 18.1 8.7 3 2 A F E -A 138 0A 35 -2,-0.4 135,-0.2 135,-0.2 99,-0.0 -0.810 8.7-156.1-101.3 137.2 38.9 19.5 6.4 4 3 A T E -A 137 0A 45 133,-2.6 133,-1.8 -2,-0.4 2,-0.5 -0.955 18.7-129.5-115.7 118.5 41.9 17.4 5.4 5 4 A P E +A 136 0A 96 0, 0.0 131,-0.3 0, 0.0 130,-0.1 -0.526 49.8 141.6 -67.6 117.2 45.1 19.2 4.3 6 5 A S E + 0 0 78 129,-2.0 2,-0.3 -2,-0.5 130,-0.1 -0.459 47.6 38.0-160.5 76.1 46.1 17.7 1.0 7 6 A G E S- 0 0 55 128,-0.1 2,-0.1 42,-0.1 42,-0.0 -0.957 83.7 -59.9 164.6-177.8 47.5 20.2 -1.5 8 7 A T E - 0 0 129 -2,-0.3 127,-2.0 126,-0.1 2,-0.4 -0.366 47.9-109.7 -88.2 169.9 49.6 23.3 -2.0 9 8 A T E -A 134 0A 76 125,-0.2 2,-0.4 -2,-0.1 125,-0.2 -0.860 22.7-159.2-106.1 134.9 49.1 26.8 -0.6 10 9 A G E -A 133 0A 29 123,-3.0 123,-2.7 -2,-0.4 2,-0.5 -0.925 6.6-156.6-112.8 133.9 48.1 29.8 -2.6 11 10 A T E -A 132 0A 71 -2,-0.4 2,-0.7 121,-0.2 121,-0.2 -0.945 4.8-159.2-116.5 126.2 48.8 33.4 -1.3 12 11 A T E -A 131 0A 14 119,-2.7 119,-1.7 -2,-0.5 2,-0.4 -0.897 18.2-169.5-102.8 113.1 46.8 36.4 -2.3 13 12 A K E +A 130 0A 141 -2,-0.7 2,-0.3 117,-0.2 117,-0.2 -0.867 10.6 171.5-108.7 139.8 48.8 39.6 -1.7 14 13 A L E -A 129 0A 2 115,-2.6 115,-3.9 -2,-0.4 2,-0.6 -0.983 19.7-152.8-148.2 133.1 47.6 43.2 -1.8 15 14 A T E -Ab 128 30A 39 14,-2.1 16,-2.6 -2,-0.3 2,-0.4 -0.922 14.6-155.6-107.0 120.1 49.2 46.5 -0.9 16 15 A V E +Ab 127 31A 2 111,-3.0 111,-2.0 -2,-0.6 2,-0.2 -0.810 22.2 165.3 -97.5 133.8 46.8 49.3 0.1 17 16 A T E - b 0 32A 23 14,-2.4 16,-2.2 -2,-0.4 17,-0.2 -0.754 33.7-101.9-134.2-177.4 48.0 52.9 -0.3 18 17 A E - 0 0 105 2,-0.5 -1,-0.1 -2,-0.2 0, 0.0 -0.247 56.8 -78.4 -95.0-172.7 46.7 56.4 -0.4 19 18 A K S S+ 0 0 200 1,-0.1 2,-1.0 -2,-0.1 13,-0.0 0.944 122.9 69.2 -53.9 -49.3 46.2 58.6 -3.5 20 19 A a S S- 0 0 102 2,-0.0 2,-0.6 1,-0.0 -2,-0.5 -0.620 78.1-171.0 -74.7 102.7 50.0 59.2 -3.6 21 20 A Q - 0 0 59 -2,-1.0 2,-0.7 -4,-0.1 -2,-0.1 -0.891 13.0-169.9-105.8 119.0 51.2 55.8 -4.6 22 21 A V - 0 0 115 -2,-0.6 2,-0.7 2,-0.0 -2,-0.0 -0.866 7.8-161.7-111.7 100.3 54.9 55.0 -4.5 23 22 A R - 0 0 134 -2,-0.7 2,-0.4 7,-0.0 4,-0.1 -0.718 8.5-167.9 -86.2 114.8 55.7 51.6 -6.1 24 23 A V - 0 0 129 -2,-0.7 2,-0.1 2,-0.1 -2,-0.0 -0.866 48.9 -17.5-107.0 134.2 59.1 50.3 -5.2 25 24 A G S S+ 0 0 68 -2,-0.4 3,-0.1 2,-0.0 -2,-0.0 -0.354 111.4 5.4 76.1-156.9 60.8 47.4 -6.9 26 25 A D S S- 0 0 148 1,-0.1 -2,-0.1 -2,-0.1 2,-0.0 -0.204 90.8 -84.8 -62.8 151.0 59.1 44.8 -9.1 27 26 A L + 0 0 154 -4,-0.1 2,-0.3 1,-0.0 -1,-0.1 -0.282 56.0 165.8 -59.8 135.0 55.4 45.2 -10.0 28 27 A T - 0 0 84 -3,-0.1 2,-0.6 -13,-0.0 -14,-0.1 -0.929 47.8 -75.2-144.4 165.3 52.9 43.8 -7.5 29 28 A V + 0 0 73 -2,-0.3 -14,-2.1 -16,-0.2 2,-0.4 -0.528 62.3 161.6 -68.5 112.5 49.2 44.1 -6.8 30 29 A A E +b 15 0A 14 -2,-0.6 2,-0.3 -16,-0.2 -14,-0.2 -0.991 11.6 173.1-136.2 143.4 48.6 47.5 -5.3 31 30 A K E -b 16 0A 38 -16,-2.6 -14,-2.4 -2,-0.4 2,-0.2 -0.978 31.0-114.7-146.3 157.2 45.5 49.6 -4.9 32 31 A T E > -b 17 0A 29 -2,-0.3 3,-2.6 -16,-0.2 4,-0.5 -0.640 34.7-114.5 -89.4 149.9 44.4 52.9 -3.2 33 32 A R G > S+ 0 0 86 -16,-2.2 3,-2.2 1,-0.3 88,-0.2 0.869 117.4 65.4 -51.6 -35.8 41.8 52.6 -0.4 34 33 A G G 3 S+ 0 0 50 1,-0.3 -1,-0.3 -17,-0.2 88,-0.1 0.704 96.1 57.4 -59.8 -20.5 39.5 54.5 -2.8 35 34 A Q G < S+ 0 0 88 -3,-2.6 2,-2.4 1,-0.2 -1,-0.3 0.581 78.4 95.7 -86.3 -11.5 39.6 51.5 -5.0 36 35 A L < + 0 0 0 -3,-2.2 85,-3.0 -4,-0.5 -1,-0.2 -0.302 57.9 150.8 -77.4 56.5 38.4 49.2 -2.2 37 36 A T > - 0 0 42 -2,-2.4 3,-2.2 83,-0.2 80,-0.3 -0.485 57.7 -72.9 -86.8 159.8 34.8 49.5 -3.4 38 37 A D T 3 S+ 0 0 37 1,-0.3 80,-0.2 -2,-0.2 -1,-0.1 -0.270 118.7 6.9 -55.0 129.6 32.2 46.8 -2.9 39 38 A A T 3 S+ 0 0 59 78,-3.4 -1,-0.3 1,-0.3 79,-0.1 0.440 87.9 156.8 77.2 1.6 32.7 43.8 -5.2 40 39 A A < - 0 0 10 -3,-2.2 77,-2.5 77,-0.2 -1,-0.3 -0.386 46.7-114.6 -61.5 129.2 36.0 45.1 -6.4 41 40 A P E +C 116 0A 82 0, 0.0 75,-0.3 0, 0.0 -1,-0.1 -0.443 33.0 179.2 -68.9 136.2 38.2 42.3 -7.7 42 41 A I E - 0 0 10 73,-3.7 74,-0.2 1,-0.3 -29,-0.1 0.784 58.0 -54.9-103.4 -41.4 41.4 41.6 -5.7 43 42 A G E -C 115 0A 20 72,-1.1 72,-1.8 -31,-0.1 -1,-0.3 -0.855 48.7 -98.0 167.7 157.2 42.8 38.6 -7.6 44 43 A P E -C 114 0A 96 0, 0.0 2,-0.5 0, 0.0 70,-0.2 -0.585 21.7-151.9 -93.2 156.0 42.2 35.2 -9.0 45 44 A V E -C 113 0A 17 68,-1.8 68,-2.7 -2,-0.2 2,-0.1 -0.931 14.1-143.2-130.7 106.2 43.2 31.9 -7.3 46 45 A T E -C 112 0A 109 -2,-0.5 2,-0.4 66,-0.2 66,-0.2 -0.422 16.5-167.7 -69.7 141.4 43.8 28.9 -9.6 47 46 A V E +C 111 0A 15 64,-2.6 64,-2.6 -2,-0.1 2,-0.4 -0.995 11.8 174.8-135.1 127.8 42.7 25.5 -8.4 48 47 A Q E -C 110 0A 152 -2,-0.4 2,-0.3 62,-0.2 62,-0.2 -0.917 9.9-170.4-136.3 107.6 43.6 22.2 -9.9 49 48 A A - 0 0 20 60,-2.0 2,-0.3 -2,-0.4 59,-0.1 -0.693 1.7-171.9 -98.2 151.2 42.6 19.0 -8.2 50 49 A L + 0 0 150 -2,-0.3 59,-0.1 1,-0.1 -2,-0.0 -0.997 67.0 11.4-143.7 136.4 43.7 15.4 -9.0 51 50 A G S S+ 0 0 66 -2,-0.3 3,-0.2 1,-0.1 -1,-0.1 0.793 86.8 119.0 69.1 30.2 42.5 12.0 -7.7 52 51 A a > + 0 0 23 1,-0.1 55,-1.8 2,-0.1 3,-1.4 -0.123 21.2 125.5-116.2 34.7 39.5 13.6 -6.0 53 52 A D T 3 S+ 0 0 120 1,-0.3 -1,-0.1 54,-0.2 53,-0.1 0.766 86.5 33.7 -63.9 -25.2 36.7 11.8 -7.9 54 53 A A T 3 S+ 0 0 52 -3,-0.2 2,-0.3 52,-0.1 -1,-0.3 0.074 112.4 75.2-117.8 21.8 35.3 10.6 -4.5 55 54 A R S < S- 0 0 121 -3,-1.4 52,-1.4 50,-0.0 2,-0.8 -0.960 78.6-116.4-135.1 153.5 36.2 13.7 -2.4 56 55 A Q E -dE 107 138A 13 82,-1.0 82,-2.6 -2,-0.3 50,-0.2 -0.790 35.7-127.9 -91.5 109.0 34.9 17.2 -2.1 57 56 A V E + E 0 137A 6 -2,-0.8 46,-2.8 50,-0.5 2,-0.3 -0.206 37.5 179.5 -53.4 141.3 37.6 19.7 -3.1 58 57 A A E -FE 102 136A 0 78,-2.4 78,-1.8 44,-0.2 2,-0.4 -0.995 27.5-151.8-149.9 155.7 38.2 22.3 -0.5 59 58 A L E -FE 101 135A 17 42,-1.9 42,-3.0 -2,-0.3 2,-0.5 -0.997 14.8-158.1-128.2 128.1 40.3 25.4 0.4 60 59 A K E -FE 100 134A 57 74,-2.7 74,-3.0 -2,-0.4 40,-0.2 -0.919 10.2-140.6-111.1 132.2 41.1 26.3 4.0 61 60 A A E - E 0 133A 1 38,-2.5 72,-0.2 -2,-0.5 5,-0.1 -0.560 32.3 -95.1 -86.0 151.4 42.1 29.9 5.0 62 61 A D > - 0 0 72 70,-1.7 3,-3.2 -2,-0.2 4,-0.3 -0.299 39.8-107.0 -61.9 149.5 44.8 30.5 7.6 63 62 A T G > S+ 0 0 108 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.810 122.0 55.4 -47.2 -35.8 43.5 31.0 11.2 64 63 A D G 3 S+ 0 0 84 1,-0.2 -1,-0.3 10,-0.0 -2,-0.1 0.416 100.4 62.0 -80.7 2.3 44.3 34.8 10.8 65 64 A N G < S+ 0 0 3 -3,-3.2 7,-2.0 67,-0.1 2,-0.3 0.364 102.7 41.9-110.1 4.1 42.1 35.0 7.7 66 65 A F E < +G 71 0A 20 -3,-0.9 2,-0.2 -4,-0.3 5,-0.2 -0.976 46.7 153.1-149.3 163.0 38.7 34.1 9.0 67 66 A E E > S+G 70 0A 111 3,-1.6 3,-1.6 -2,-0.3 32,-0.0 -0.761 70.9 15.8 175.8 137.0 36.3 34.5 11.9 68 67 A Q T 3 S- 0 0 147 1,-0.3 3,-0.1 -2,-0.2 0, 0.0 0.955 129.6 -59.7 54.3 52.0 32.5 34.4 12.3 69 68 A G T 3 S+ 0 0 48 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.696 113.8 123.7 49.1 21.2 32.1 32.6 8.9 70 69 A K E < -G 67 0A 74 -3,-1.6 -3,-1.6 15,-0.0 2,-0.3 -0.937 50.2-151.7-116.8 133.5 33.8 35.7 7.4 71 70 A F E +GH 66 84A 14 13,-0.5 13,-1.5 -2,-0.4 2,-0.3 -0.673 23.8 159.7 -97.9 154.7 36.9 35.7 5.2 72 71 A F E - H 0 83A 3 -7,-2.0 11,-0.3 11,-0.3 2,-0.1 -0.935 40.1-108.8-172.1 148.3 39.3 38.6 5.0 73 72 A L E - H 0 82A 0 9,-2.4 9,-2.0 -2,-0.3 2,-0.4 -0.486 37.5-142.9 -77.3 151.8 42.9 39.7 4.1 74 73 A I E -IH 130 81A 17 56,-2.3 56,-1.7 7,-0.2 7,-0.2 -0.970 9.4-119.9-125.8 135.2 45.1 40.6 7.1 75 74 A S E > -I 129 0A 6 5,-2.3 3,-2.6 -2,-0.4 54,-0.2 -0.198 37.4-102.4 -63.1 159.5 47.8 43.3 7.4 76 75 A D T 3 S+ 0 0 113 52,-1.1 -1,-0.1 1,-0.3 53,-0.1 0.780 124.5 55.1 -54.3 -29.0 51.3 42.2 8.2 77 76 A N T 3 S- 0 0 90 51,-0.1 -1,-0.3 3,-0.0 -2,-0.1 0.417 109.2-124.3 -87.1 1.7 50.7 43.3 11.8 78 77 A N S < S+ 0 0 82 -3,-2.6 -2,-0.1 2,-0.1 3,-0.1 0.654 88.2 98.4 66.2 15.8 47.7 41.0 12.1 79 78 A R + 0 0 197 1,-0.1 2,-0.4 2,-0.0 -1,-0.1 0.853 64.4 61.6-100.0 -47.0 45.7 44.1 13.1 80 79 A D - 0 0 44 45,-0.0 -5,-2.3 2,-0.0 2,-0.3 -0.734 64.0-156.5 -94.7 135.1 43.8 45.3 10.0 81 80 A K E -H 74 0A 67 -2,-0.4 2,-0.4 -7,-0.2 -7,-0.2 -0.810 12.0-165.0-109.2 147.2 41.2 43.3 8.1 82 81 A L E -H 73 0A 0 -9,-2.0 -9,-2.4 -2,-0.3 39,-0.0 -0.847 25.2-141.6-129.5 89.6 40.0 43.6 4.5 83 82 A Y E +H 72 0A 74 -2,-0.4 35,-2.7 -11,-0.3 2,-0.3 -0.288 28.5 176.0 -56.5 130.5 36.7 41.6 4.3 84 83 A V E -HJ 71 117A 3 -13,-1.5 -13,-0.5 33,-0.3 2,-0.4 -0.879 27.9-126.3-134.6 166.7 36.4 39.7 1.0 85 84 A N E - 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