==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ADHESIN 27-NOV-03 1USQ . COMPND 2 MOLECULE: DR HEMAGGLUTININ STRUCTURAL SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.L.ANDERSON,J.BILLINGTON,D.PETTIGREW,E.COTA,P.ROVERSI, . 835 6 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45032.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 533 63.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 330 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 . 95 11.4 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 . 1 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 1 4 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 5 1 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,-0.4 0, 0.0 137,-0.0 0.000 360.0 360.0 360.0 62.6 32.3 18.7 9.0 2 1 A S - 0 0 67 137,-2.5 137,-0.5 2,-0.0 2,-0.5 -0.983 360.0-149.6-141.2 127.6 36.0 18.0 8.6 3 2 A F E -A 138 0A 35 -2,-0.4 135,-0.2 135,-0.2 99,-0.0 -0.804 8.4-160.4 -92.5 132.0 38.7 19.4 6.3 4 3 A T E -A 137 0A 49 133,-2.9 133,-1.9 -2,-0.5 2,-0.2 -0.951 21.3-129.7-110.9 113.5 41.6 17.2 5.3 5 4 A P E +A 136 0A 96 0, 0.0 131,-0.3 0, 0.0 2,-0.1 -0.439 48.4 144.6 -63.5 127.5 44.6 19.2 4.1 6 5 A S E + 0 0 74 129,-2.3 2,-0.3 -2,-0.2 -2,-0.1 -0.517 45.9 35.4-168.0 86.5 45.7 17.7 0.8 7 6 A G E S- 0 0 58 -2,-0.1 2,-0.1 42,-0.1 42,-0.1 -0.944 84.6 -58.6 155.4-170.1 47.0 20.0 -1.9 8 7 A T E - 0 0 126 -2,-0.3 127,-2.6 126,-0.1 2,-0.4 -0.379 46.5-104.5-103.0 178.7 49.0 23.2 -2.3 9 8 A T E -A 134 0A 76 125,-0.2 2,-0.5 -2,-0.1 125,-0.2 -0.885 19.1-161.4-113.9 134.6 48.7 26.7 -1.1 10 9 A G E -A 133 0A 27 123,-2.8 123,-2.7 -2,-0.4 2,-0.6 -0.939 9.5-157.6-111.6 132.3 47.6 29.9 -2.9 11 10 A T E -A 132 0A 72 -2,-0.5 2,-0.6 121,-0.2 121,-0.2 -0.945 1.2-159.7-116.2 119.0 48.5 33.2 -1.4 12 11 A T E -A 131 0A 15 119,-3.3 119,-2.5 -2,-0.6 2,-0.4 -0.864 17.5-173.9 -97.2 120.7 46.4 36.3 -2.4 13 12 A K E +A 130 0A 140 -2,-0.6 2,-0.4 117,-0.2 117,-0.2 -0.944 11.3 174.2-121.6 142.0 48.3 39.5 -1.7 14 13 A L E -A 129 0A 1 115,-2.7 115,-3.1 -2,-0.4 2,-0.6 -0.982 18.6-152.2-145.5 130.7 47.3 43.1 -2.0 15 14 A T E -Ab 128 30A 39 14,-2.2 16,-2.4 -2,-0.4 2,-0.4 -0.918 16.7-155.7-103.7 121.5 49.1 46.3 -1.0 16 15 A V E +Ab 127 31A 3 111,-2.8 111,-1.3 -2,-0.6 2,-0.2 -0.819 20.8 168.9 -96.0 139.2 46.7 49.1 -0.1 17 16 A T E - b 0 32A 22 14,-2.0 16,-2.2 -2,-0.4 17,-0.2 -0.775 33.7 -99.0-136.4-178.7 47.9 52.7 -0.5 18 17 A E - 0 0 104 2,-0.5 -1,-0.1 -2,-0.2 0, 0.0 -0.321 54.4 -86.1 -90.0-175.5 46.8 56.3 -0.4 19 18 A K S S+ 0 0 190 -2,-0.1 2,-0.8 1,-0.1 13,-0.1 0.910 123.5 65.8 -62.4 -40.4 46.1 58.3 -3.6 20 19 A a S S- 0 0 101 2,-0.0 -2,-0.5 1,-0.0 2,-0.5 -0.757 81.1-177.2 -84.6 108.8 49.8 59.3 -3.7 21 20 A Q - 0 0 57 -2,-0.8 2,-0.7 -4,-0.1 11,-0.0 -0.962 19.1-162.3-121.6 123.0 51.2 55.8 -4.4 22 21 A V - 0 0 119 -2,-0.5 2,-0.6 2,-0.0 -2,-0.0 -0.868 7.2-159.9-113.2 101.5 54.9 55.0 -4.7 23 22 A R - 0 0 131 -2,-0.7 2,-0.5 7,-0.0 4,-0.1 -0.721 10.2-170.6 -84.9 122.7 55.6 51.6 -6.3 24 23 A V - 0 0 130 -2,-0.6 2,-0.1 2,-0.1 -2,-0.0 -0.942 49.9 -15.8-119.4 125.4 59.1 50.3 -5.5 25 24 A G S S+ 0 0 67 -2,-0.5 3,-0.1 2,-0.0 -2,-0.0 -0.367 109.9 2.9 78.6-161.8 60.6 47.3 -7.2 26 25 A D S S- 0 0 150 1,-0.1 -2,-0.1 -2,-0.1 0, 0.0 -0.128 88.6 -83.1 -61.1 155.2 58.8 44.8 -9.3 27 26 A L + 0 0 155 -4,-0.1 2,-0.3 3,-0.0 -1,-0.1 -0.240 54.5 166.0 -58.3 132.9 55.1 45.0 -10.1 28 27 A T - 0 0 88 -3,-0.1 2,-0.5 -13,-0.0 -14,-0.1 -0.895 48.7 -78.4-137.9 170.1 52.8 43.6 -7.4 29 28 A V + 0 0 76 -2,-0.3 -14,-2.2 -16,-0.2 2,-0.3 -0.610 61.8 163.1 -76.3 120.2 49.0 43.9 -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 14.6 176.8-141.2 143.6 48.3 47.3 -5.4 31 30 A K E -b 16 0A 32 -16,-2.4 -14,-2.0 -2,-0.3 2,-0.1 -0.988 31.6-116.1-142.2 151.4 45.3 49.5 -5.0 32 31 A T E > -b 17 0A 29 -2,-0.3 3,-1.5 -16,-0.2 -14,-0.2 -0.456 37.1-112.6 -76.6 156.5 44.5 52.9 -3.4 33 32 A R G > S+ 0 0 83 -16,-2.2 3,-1.8 1,-0.3 91,-0.2 0.856 118.0 65.8 -63.0 -27.4 42.0 52.6 -0.5 34 33 A G G 3 S+ 0 0 49 1,-0.3 -1,-0.3 -17,-0.2 88,-0.1 0.710 95.0 58.7 -64.7 -20.1 39.6 54.5 -2.7 35 34 A Q G < S+ 0 0 96 -3,-1.5 2,-1.6 1,-0.2 -1,-0.3 0.462 77.5 95.9 -86.4 -3.7 39.6 51.5 -5.1 36 35 A L < + 0 0 0 -3,-1.8 85,-2.9 -4,-0.2 -1,-0.2 -0.338 57.5 151.1 -85.8 56.3 38.3 49.2 -2.3 37 36 A T > - 0 0 44 -2,-1.6 3,-2.0 83,-0.2 80,-0.2 -0.337 57.4 -68.1 -83.3 167.1 34.7 49.5 -3.4 38 37 A D T 3 S+ 0 0 31 1,-0.3 80,-0.2 208,-0.1 -1,-0.2 -0.317 120.0 5.1 -60.0 132.5 32.0 46.9 -2.9 39 38 A A T 3 S+ 0 0 59 78,-2.4 -1,-0.3 1,-0.2 79,-0.1 0.490 86.7 158.9 71.3 5.4 32.6 43.8 -5.1 40 39 A A < - 0 0 9 -3,-2.0 77,-3.1 76,-0.1 -1,-0.2 -0.396 45.2-117.0 -60.0 129.8 35.9 45.1 -6.4 41 40 A P E -C 116 0A 81 0, 0.0 75,-0.3 0, 0.0 -1,-0.1 -0.496 30.4-178.0 -69.9 132.8 38.0 42.2 -7.7 42 41 A I E - 0 0 12 73,-3.5 74,-0.2 1,-0.3 -29,-0.1 0.796 59.5 -67.7 -95.4 -41.6 41.2 41.6 -5.8 43 42 A G E -C 115 0A 21 72,-1.3 72,-1.7 -31,-0.1 -1,-0.3 -0.882 47.4 -83.8 164.2 165.0 42.3 38.7 -8.0 44 43 A P E -C 114 0A 98 0, 0.0 2,-0.4 0, 0.0 70,-0.2 -0.474 25.2-153.3 -87.4 157.3 41.7 35.1 -9.2 45 44 A V E -C 113 0A 17 68,-1.8 68,-2.9 -2,-0.1 2,-0.2 -0.986 16.6-139.7-128.6 118.9 42.8 31.9 -7.4 46 45 A T E -C 112 0A 107 -2,-0.4 2,-0.4 66,-0.2 66,-0.2 -0.567 17.6-171.0 -81.1 146.1 43.3 28.9 -9.6 47 46 A V E +C 111 0A 14 64,-2.2 64,-2.6 -2,-0.2 2,-0.4 -0.999 9.6 174.1-137.6 129.5 42.2 25.5 -8.4 48 47 A Q E -C 110 0A 153 -2,-0.4 2,-0.3 62,-0.2 62,-0.2 -0.925 11.9-166.0-139.3 108.8 43.0 22.2 -10.1 49 48 A A - 0 0 21 60,-1.8 2,-0.3 -2,-0.4 59,-0.1 -0.752 4.7-174.1 -98.5 146.4 42.0 19.0 -8.3 50 49 A L + 0 0 150 -2,-0.3 59,-0.1 1,-0.1 -2,-0.0 -0.997 67.5 14.0-138.9 136.5 43.2 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 0.689 87.6 116.7 74.1 24.5 42.0 12.1 -7.8 52 51 A a > + 0 0 23 1,-0.2 3,-1.7 2,-0.1 55,-1.6 -0.002 20.2 126.0-113.2 30.5 38.9 13.6 -6.2 53 52 A D T 3 S+ 0 0 125 1,-0.3 -1,-0.2 54,-0.2 53,-0.1 0.798 87.1 33.8 -57.6 -28.8 36.2 11.8 -8.1 54 53 A A T 3 S+ 0 0 41 -3,-0.3 2,-0.3 52,-0.1 -1,-0.3 0.107 111.6 71.3-116.4 23.4 34.7 10.7 -4.7 55 54 A R S < S- 0 0 127 -3,-1.7 52,-1.6 50,-0.1 2,-0.7 -0.969 79.5-112.2-136.7 156.8 35.6 13.7 -2.5 56 55 A Q E -D 138 0A 15 82,-0.9 82,-2.6 -2,-0.3 50,-0.2 -0.758 36.4-129.4 -90.0 112.5 34.4 17.3 -2.1 57 56 A V E +D 137 0A 5 -2,-0.7 46,-2.9 50,-0.5 2,-0.3 -0.242 36.5 178.5 -58.0 144.5 37.1 19.6 -3.1 58 57 A A E -DE 136 102A 0 78,-2.3 78,-2.0 44,-0.2 2,-0.4 -0.997 28.3-150.1-151.6 156.6 37.8 22.3 -0.5 59 58 A L E -DE 135 101A 14 42,-2.0 42,-2.8 -2,-0.3 2,-0.5 -0.995 14.9-157.3-127.3 129.7 40.0 25.3 0.4 60 59 A K E -DE 134 100A 53 74,-2.6 74,-2.9 -2,-0.4 40,-0.2 -0.941 11.2-139.9-109.9 130.1 40.8 26.2 4.0 61 60 A A E -D 133 0A 0 38,-2.8 72,-0.2 -2,-0.5 5,-0.1 -0.570 33.3 -96.6 -82.0 145.6 41.8 29.8 4.9 62 61 A D > - 0 0 70 70,-1.8 3,-2.4 -2,-0.2 4,-0.2 -0.255 38.8-107.8 -54.4 151.8 44.6 30.3 7.5 63 62 A T G > S+ 0 0 106 1,-0.3 3,-1.2 2,-0.2 -1,-0.1 0.838 120.0 58.3 -50.9 -40.9 43.3 30.8 11.0 64 63 A D G 3 S+ 0 0 90 1,-0.2 -1,-0.3 10,-0.0 -2,-0.1 0.481 100.6 59.8 -71.0 -1.6 44.3 34.5 10.8 65 64 A N G < S+ 0 0 3 -3,-2.4 7,-2.4 67,-0.1 2,-0.3 0.272 101.9 48.1-111.4 6.4 42.0 35.0 7.8 66 65 A F E < +F 71 0A 26 -3,-1.2 2,-0.2 5,-0.2 5,-0.2 -1.000 45.7 155.3-149.7 153.0 38.6 34.0 9.1 67 66 A E E > S+F 70 0A 111 3,-2.1 3,-1.4 -2,-0.3 32,-0.0 -0.824 70.1 6.5-171.2 130.9 36.2 34.6 12.0 68 67 A Q T 3 S- 0 0 145 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.881 128.2 -54.2 64.5 41.9 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 0.535 115.8 114.5 69.5 5.6 31.7 32.9 9.0 70 69 A K E < -F 67 0A 76 -3,-1.4 -3,-2.1 15,-0.0 2,-0.3 -0.906 53.6-151.0-111.5 141.0 33.6 35.8 7.4 71 70 A F E +FG 66 84A 13 13,-0.6 13,-2.0 -2,-0.4 2,-0.3 -0.731 21.3 169.0-101.7 153.3 36.9 35.7 5.4 72 71 A F E - G 0 83A 6 -7,-2.4 11,-0.3 -2,-0.3 2,-0.2 -0.982 37.0-115.6-160.5 148.6 39.3 38.6 5.2 73 72 A L E - G 0 82A 0 9,-2.6 9,-2.2 -2,-0.3 2,-0.4 -0.534 39.3-143.7 -74.5 150.7 42.8 39.5 4.0 74 73 A I E -HG 130 81A 17 56,-2.3 56,-2.2 7,-0.2 7,-0.2 -0.969 10.0-114.5-125.2 139.5 45.0 40.4 7.0 75 74 A S E > -H 129 0A 8 5,-2.0 3,-2.0 -2,-0.4 54,-0.2 -0.203 35.6-102.9 -64.2 161.6 47.7 43.0 7.3 76 75 A D T 3 S+ 0 0 114 52,-1.3 -1,-0.1 1,-0.3 53,-0.1 0.831 123.8 51.6 -55.0 -38.3 51.3 42.1 7.9 77 76 A N T 3 S- 0 0 97 51,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.446 111.7-121.2 -83.5 3.6 51.0 43.0 11.6 78 77 A N S < S+ 0 0 80 -3,-2.0 -2,-0.1 2,-0.1 -1,-0.1 0.495 88.3 98.9 73.7 6.1 47.9 40.9 12.0 79 78 A R + 0 0 193 1,-0.1 2,-0.4 -5,-0.0 -1,-0.1 0.878 63.7 62.9 -92.1 -44.3 45.8 43.9 13.1 80 79 A D - 0 0 48 45,-0.0 -5,-2.0 2,-0.0 2,-0.3 -0.768 62.4-154.3-100.4 133.2 43.8 45.1 10.1 81 80 A K E -G 74 0A 67 -2,-0.4 2,-0.5 -7,-0.2 -7,-0.2 -0.765 12.2-168.1-103.8 147.2 41.1 43.3 8.2 82 81 A L E -G 73 0A 0 -9,-2.2 -9,-2.6 -2,-0.3 2,-0.1 -0.936 26.8-140.6-129.7 100.1 39.9 43.6 4.6 83 82 A Y E -G 72 0A 69 -2,-0.5 35,-2.6 -11,-0.3 2,-0.3 -0.429 26.7-179.3 -65.7 133.1 36.7 41.6 4.3 84 83 A V E -GI 71 117A 3 -13,-2.0 -13,-0.6 33,-0.3 2,-0.4 -0.910 26.3-133.3-131.3 161.8 36.3 39.6 1.1 85 84 A N E - 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