==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 02-DEC-03 1UT1 . 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, . 836 6 6 0 6 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37080.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 565 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 361 43.2 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 . 12 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 82 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 7.7 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 . 8 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 18 7 5 6 0 0 0 4 2 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 5 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 72 0, 0.0 2,-0.3 0, 0.0 139,-0.3 0.000 360.0 360.0 360.0 164.8 66.7 33.9 92.2 2 1 A S E -A 139 0A 72 137,-3.8 137,-1.9 2,-0.0 2,-0.4 -0.985 360.0-131.7-137.3 151.3 63.3 34.0 93.9 3 2 A F E -A 138 0A 35 -2,-0.3 135,-0.2 135,-0.2 99,-0.0 -0.823 11.9-159.2-102.2 130.9 60.3 36.4 94.0 4 3 A T E -A 137 0A 35 133,-3.0 133,-1.9 -2,-0.4 2,-0.2 -0.936 20.9-132.2-107.0 113.1 58.8 37.5 97.3 5 4 A P E +A 136 0A 76 0, 0.0 131,-0.3 0, 0.0 2,-0.1 -0.446 46.9 144.8 -65.6 126.5 55.2 38.8 96.9 6 5 A S E + 0 0 2 129,-2.2 577,-2.3 -2,-0.2 2,-0.3 -0.490 46.8 34.2-166.8 84.7 54.9 42.1 98.7 7 6 A G E S-b 583 0A 7 570,-0.3 577,-0.3 575,-0.3 2,-0.1 -0.963 85.7 -56.0 158.8-166.6 52.6 44.7 97.2 8 7 A T E - 0 0 7 575,-1.5 127,-2.7 -2,-0.3 2,-0.4 -0.394 45.2-110.4-104.1 179.0 49.5 45.1 95.2 9 8 A T E -A 134 0A 50 125,-0.2 2,-0.5 -2,-0.1 125,-0.2 -0.925 17.6-159.6-118.7 131.1 48.2 43.7 91.9 10 9 A G E -A 133 0A 6 123,-3.1 123,-2.9 -2,-0.4 2,-0.5 -0.924 7.5-159.2-107.4 133.0 47.6 45.5 88.7 11 10 A T E -A 132 0A 70 -2,-0.5 2,-0.5 121,-0.2 121,-0.2 -0.959 0.2-161.3-117.2 120.7 45.3 44.0 86.1 12 11 A T E -A 131 0A 15 119,-3.1 119,-2.4 -2,-0.5 2,-0.4 -0.910 16.9-173.0-102.7 120.6 45.6 45.1 82.4 13 12 A K E +A 130 0A 140 -2,-0.5 2,-0.3 117,-0.2 117,-0.2 -0.905 12.5 175.5-120.5 148.0 42.5 44.3 80.4 14 13 A L E -A 129 0A 1 115,-2.4 115,-2.9 -2,-0.4 2,-0.5 -0.959 19.0-149.8-150.6 131.7 41.7 44.5 76.7 15 14 A T E -Ac 128 30A 16 14,-2.3 16,-2.5 -2,-0.3 2,-0.4 -0.905 18.0-153.7-100.4 126.4 38.7 43.4 74.7 16 15 A V E +Ac 127 31A 1 111,-3.1 111,-1.5 -2,-0.5 412,-0.4 -0.830 20.6 174.0-100.9 131.8 39.6 42.5 71.1 17 16 A T E - c 0 32A 0 14,-2.4 16,-2.5 -2,-0.4 17,-0.3 -0.792 31.9-105.8-125.9 178.0 36.8 42.9 68.5 18 17 A E - 0 0 33 2,-0.5 -1,-0.1 -2,-0.2 409,-0.0 -0.345 53.0 -88.6 -88.4-178.7 36.2 42.6 64.8 19 18 A K S S+ 0 0 178 -2,-0.1 2,-0.9 13,-0.1 452,-0.1 0.885 122.0 67.7 -60.4 -40.9 35.8 45.8 62.7 20 19 A a S S- 0 0 6 453,-0.1 -2,-0.5 450,-0.1 2,-0.5 -0.783 81.2-177.8 -81.5 105.8 32.0 45.7 63.3 21 20 A Q E -M 471 0B 8 450,-3.1 450,-2.1 -2,-0.9 2,-0.6 -0.972 19.7-162.7-118.9 124.9 32.3 46.5 67.0 22 21 A V E -Mn 470 428B 0 405,-2.1 407,-1.6 -2,-0.5 2,-0.4 -0.903 8.1-156.9-115.8 107.6 29.3 46.7 69.4 23 22 A R E -M 469 0B 51 446,-3.1 446,-2.4 -2,-0.6 2,-0.5 -0.702 10.1-167.4 -85.6 125.7 30.0 48.5 72.7 24 23 A V E -M 468 0B 0 -2,-0.4 444,-0.2 444,-0.2 532,-0.1 -0.978 49.1 -26.8-118.8 123.4 27.6 47.4 75.5 25 24 A G S S+ 0 0 19 442,-3.0 3,-0.1 -2,-0.5 406,-0.1 -0.311 110.6 14.4 78.5-155.2 27.4 49.4 78.7 26 25 A D S S- 0 0 143 1,-0.1 -2,-0.2 404,-0.1 404,-0.1 -0.061 89.2 -92.1 -58.2 147.5 30.1 51.4 80.3 27 26 A L + 0 0 154 -4,-0.1 2,-0.3 402,-0.0 -1,-0.1 -0.393 52.9 170.6 -61.6 133.4 33.2 52.4 78.3 28 27 A T - 0 0 66 -3,-0.1 2,-0.7 -2,-0.1 -14,-0.0 -0.922 46.0 -78.0-138.1 163.9 36.0 49.9 78.6 29 28 A V + 0 0 85 -2,-0.3 -14,-2.3 -16,-0.1 2,-0.3 -0.520 62.4 161.1 -68.3 111.1 39.3 49.4 76.8 30 29 A A E +c 15 0A 15 -2,-0.7 2,-0.3 -16,-0.2 -14,-0.2 -0.980 16.1 179.6-132.4 146.2 38.6 47.8 73.4 31 30 A K E -c 16 0A 33 -16,-2.5 -14,-2.4 -2,-0.3 2,-0.1 -0.990 30.6-117.9-135.5 152.5 40.5 47.5 70.1 32 31 A T E > -c 17 0A 25 -2,-0.3 3,-1.7 -16,-0.2 -14,-0.2 -0.458 36.2-112.3 -76.8 162.3 39.7 45.8 66.8 33 32 A R G > S+ 0 0 84 -16,-2.5 3,-2.1 1,-0.3 91,-0.2 0.885 118.1 65.9 -69.1 -24.4 42.2 43.0 66.0 34 33 A G G 3 S+ 0 0 45 1,-0.3 -1,-0.3 -17,-0.3 88,-0.1 0.700 94.2 59.9 -65.1 -20.0 43.4 45.2 63.1 35 34 A Q G < S+ 0 0 95 -3,-1.7 2,-1.5 1,-0.2 -1,-0.3 0.446 77.3 95.6 -86.2 -4.4 44.6 47.7 65.8 36 35 A L < + 0 0 0 -3,-2.1 85,-3.2 -4,-0.2 -1,-0.2 -0.329 58.3 151.8 -83.7 54.9 46.9 45.0 67.2 37 36 A T > - 0 0 71 -2,-1.5 3,-2.2 83,-0.2 80,-0.2 -0.247 58.4 -65.3 -82.8 166.6 49.9 46.3 65.2 38 37 A D T 3 S+ 0 0 104 1,-0.3 80,-0.2 80,-0.1 -1,-0.2 -0.361 122.0 2.5 -59.6 129.8 53.5 45.9 66.3 39 38 A A T 3 S+ 0 0 57 78,-2.3 -1,-0.3 1,-0.2 79,-0.1 0.532 86.6 160.0 70.0 9.3 54.2 48.0 69.5 40 39 A A < - 0 0 8 -3,-2.2 77,-3.1 76,-0.1 -1,-0.2 -0.402 46.3-111.0 -61.1 137.0 50.6 49.1 69.8 41 40 A P E -D 116 0A 77 0, 0.0 75,-0.2 0, 0.0 -1,-0.1 -0.505 32.4-177.5 -77.2 133.1 50.1 50.2 73.4 42 41 A I E - 0 0 12 73,-3.2 74,-0.2 1,-0.3 -29,-0.1 0.837 62.0 -67.8 -90.6 -45.4 47.8 48.1 75.5 43 42 A G E -D 115 0A 20 72,-1.3 72,-2.0 -31,-0.1 -1,-0.3 -0.929 44.5 -90.1 169.7 167.0 48.1 50.4 78.5 44 43 A P E -D 114 0A 96 0, 0.0 2,-0.4 0, 0.0 70,-0.2 -0.660 24.7-156.1 -89.1 157.1 50.3 51.8 81.2 45 44 A V E -D 113 0A 5 68,-2.9 68,-2.9 -2,-0.3 2,-0.2 -0.983 14.5-142.8-131.4 118.2 50.8 50.2 84.7 46 45 A T E -D 112 0A 54 -2,-0.4 540,-2.7 66,-0.2 2,-0.4 -0.575 18.1-168.1 -81.7 141.3 51.9 52.6 87.4 47 46 A V E +DE 111 585A 2 64,-2.7 64,-2.5 -2,-0.2 2,-0.4 -0.997 12.3 174.6-130.7 134.7 54.4 51.3 90.0 48 47 A Q E -DE 110 584A 77 536,-2.3 536,-2.6 -2,-0.4 2,-0.3 -0.899 9.3-166.9-142.5 116.1 55.5 52.8 93.3 49 48 A A E - E 0 583A 1 60,-2.3 2,-0.3 -2,-0.4 534,-0.2 -0.758 4.8-175.8 -99.8 144.4 57.8 51.0 95.7 50 49 A L E + E 0 582A 93 532,-2.3 532,-2.8 -2,-0.3 59,-0.1 -0.996 67.5 18.6-135.8 142.6 58.4 52.1 99.3 51 50 A G S S+ 0 0 49 -2,-0.3 3,-0.3 530,-0.2 -1,-0.1 0.666 88.7 112.5 75.5 18.8 60.8 50.6 101.9 52 51 A b > + 0 0 0 1,-0.2 3,-1.8 530,-0.1 55,-1.5 -0.041 22.3 128.5-114.8 31.0 62.9 48.8 99.2 53 52 A D T 3 S+ 0 0 127 1,-0.3 -1,-0.2 54,-0.2 53,-0.0 0.846 87.0 32.3 -57.8 -27.2 66.1 50.8 99.5 54 53 A A T 3 S+ 0 0 80 -3,-0.3 2,-0.3 52,-0.1 -1,-0.3 0.118 111.1 74.5-114.1 13.6 67.9 47.5 99.8 55 54 A R S < S- 0 0 113 -3,-1.8 52,-1.9 50,-0.1 2,-0.7 -0.931 79.6-113.1-124.7 162.0 65.8 45.2 97.6 56 55 A Q E -F 138 0A 39 82,-0.9 82,-2.5 -2,-0.3 50,-0.2 -0.807 36.2-128.5 -95.8 112.1 65.2 44.8 93.8 57 56 A V E -F 137 0A 0 -2,-0.7 46,-3.1 50,-0.5 2,-0.3 -0.311 36.0-179.8 -59.4 145.2 61.7 45.8 92.9 58 57 A A E -FG 136 102A 0 78,-2.3 78,-1.8 44,-0.2 2,-0.4 -0.989 27.9-150.5-152.3 151.0 59.8 43.2 90.9 59 58 A L E -FG 135 101A 1 42,-2.6 42,-3.2 -2,-0.3 2,-0.5 -0.991 16.4-155.9-122.9 130.7 56.5 42.4 89.2 60 59 A K E -FG 134 100A 54 74,-2.7 74,-2.3 -2,-0.4 40,-0.2 -0.926 10.3-140.2-109.5 128.7 55.4 38.9 88.9 61 60 A A E -F 133 0A 0 38,-3.0 72,-0.2 -2,-0.5 5,-0.1 -0.518 32.9 -96.9 -78.2 147.7 53.0 37.9 86.1 62 61 A D > - 0 0 73 70,-1.9 3,-2.6 -2,-0.2 4,-0.2 -0.272 39.9-106.7 -55.8 150.0 50.2 35.4 86.9 63 62 A T G > S+ 0 0 106 1,-0.3 3,-1.0 2,-0.2 -1,-0.1 0.815 120.4 57.0 -48.4 -39.0 51.1 31.8 85.9 64 63 A D G 3 S+ 0 0 72 1,-0.2 -1,-0.3 10,-0.0 -2,-0.1 0.428 99.7 60.8 -75.9 -0.7 48.7 32.0 83.0 65 64 A N G < S+ 0 0 2 -3,-2.6 7,-2.2 67,-0.1 2,-0.3 0.232 100.1 52.0-110.9 6.6 50.5 35.1 81.5 66 65 A F E < +H 71 0A 27 -3,-1.0 2,-0.3 5,-0.2 5,-0.2 -0.997 45.8 155.6-146.2 150.6 54.0 33.7 80.9 67 66 A E E > +H 70 0A 84 3,-2.2 3,-1.6 -2,-0.3 32,-0.0 -0.875 69.4 0.6-166.2 136.6 55.9 30.9 79.3 68 67 A Q T 3 S- 0 0 134 1,-0.3 3,-0.1 -2,-0.3 -2,-0.0 0.918 129.1 -50.3 54.3 51.0 59.4 30.4 77.9 69 68 A G T 3 S+ 0 0 57 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.571 116.5 115.2 64.5 11.7 60.6 33.9 78.7 70 69 A K E < -H 67 0A 83 -3,-1.6 -3,-2.2 15,-0.0 2,-0.3 -0.919 51.5-154.1-116.8 139.5 57.5 35.4 77.0 71 70 A F E +HI 66 84A 14 13,-0.6 13,-2.1 -2,-0.4 2,-0.3 -0.798 20.9 166.7-103.6 152.4 54.7 37.5 78.6 72 71 A F E - I 0 83A 0 -7,-2.2 11,-0.3 -2,-0.3 2,-0.2 -0.986 39.4-114.6-159.8 147.4 51.2 37.6 77.1 73 72 A L E - I 0 82A 0 9,-2.5 9,-2.5 -2,-0.3 2,-0.4 -0.592 41.5-143.9 -71.9 150.6 47.7 38.7 77.9 74 73 A I E -JI 130 81A 14 56,-2.4 56,-2.0 -2,-0.2 7,-0.2 -0.935 9.6-113.3-124.0 142.6 45.5 35.6 78.0 75 74 A S E > -J 129 0A 9 5,-2.2 3,-2.1 -2,-0.4 54,-0.2 -0.262 36.4-102.6 -67.0 162.7 41.9 35.2 76.9 76 75 A D T 3 S+ 0 0 114 52,-1.4 -1,-0.1 1,-0.3 53,-0.1 0.850 123.8 52.8 -54.9 -35.8 39.1 34.4 79.5 77 76 A N T 3 S- 0 0 65 51,-0.2 -1,-0.3 1,-0.1 -2,-0.0 0.482 112.3-120.1 -84.9 6.2 39.1 30.7 78.4 78 77 A N S < S+ 0 0 22 -3,-2.1 -2,-0.1 2,-0.2 -1,-0.1 0.455 88.6 97.0 71.5 5.7 42.9 30.5 79.0 79 78 A R + 0 0 22 1,-0.1 2,-0.4 -5,-0.0 -3,-0.1 0.878 62.8 63.0 -90.8 -46.3 43.5 29.5 75.4 80 79 A D - 0 0 49 45,-0.0 -5,-2.2 2,-0.0 2,-0.4 -0.777 62.5-155.0-100.5 130.8 44.5 32.5 73.3 81 80 A K E -I 74 0A 52 -2,-0.4 2,-0.5 -7,-0.2 -7,-0.2 -0.823 13.0-165.9-103.1 143.5 47.6 34.6 73.8 82 81 A L E -I 73 0A 0 -9,-2.5 -9,-2.5 -2,-0.4 2,-0.2 -0.952 28.1-141.0-123.4 101.6 48.4 38.2 72.9 83 82 A Y E -I 72 0A 71 -2,-0.5 35,-2.8 -11,-0.3 2,-0.3 -0.478 26.1-178.5 -68.6 139.9 52.2 38.5 73.3 84 83 A V E -IK 71 117A 5 -13,-2.1 -13,-0.6 33,-0.3 2,-0.3 -0.936 27.3-132.6-135.0 160.4 53.5 41.7 74.7 85 84 A N E - 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