==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION 17-DEC-03 1RWR . COMPND 2 MOLECULE: FILAMENTOUS HEMAGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: BORDETELLA PERTUSSIS; . AUTHOR B.CLANTIN,V.VILLERET . 297 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11727.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 124 41.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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-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 . 35 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 3 4 3 5 4 2 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 1 2 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 0 0 0 0 0 0 1 0 0 0 0 0 1 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 1 A Q 0 0 198 0, 0.0 86,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -0.5 13.4 15.4 -0.6 2 2 A G - 0 0 31 37,-0.0 2,-0.5 84,-0.0 38,-0.3 0.043 360.0 -54.1-124.0-139.6 10.8 13.3 1.2 3 3 A L + 0 0 8 36,-0.2 36,-0.2 -2,-0.1 8,-0.1 -0.971 45.5 169.6-121.7 114.4 9.9 9.7 1.8 4 4 A V E -A 38 0A 55 34,-2.8 33,-2.4 -2,-0.5 34,-1.1 -0.908 19.1-159.7-127.3 99.9 9.2 7.5 -1.2 5 5 A P E -A 36 0A 36 0, 0.0 2,-0.3 0, 0.0 31,-0.3 -0.270 3.4-151.3 -78.2 166.8 8.9 3.8 -0.4 6 6 A Q > - 0 0 68 29,-2.4 3,-1.1 4,-0.1 29,-0.4 -0.883 56.5 -1.7-129.7 158.2 9.3 0.7 -2.5 7 7 A G T 3 S- 0 0 74 -2,-0.3 27,-0.1 1,-0.2 29,-0.0 -0.281 126.6 -15.8 66.3-135.7 7.8 -2.8 -2.4 8 8 A Q T 3 S+ 0 0 98 17,-0.1 -1,-0.2 2,-0.1 26,-0.1 0.711 107.3 108.1 -78.8 -19.6 5.4 -3.6 0.5 9 9 A T < - 0 0 3 -3,-1.1 2,-0.3 24,-0.1 14,-0.2 -0.353 50.4-171.2 -58.8 130.6 6.6 -0.5 2.6 10 10 A Q E -K 22 0B 105 12,-1.9 12,-2.6 -2,-0.1 2,-0.5 -0.924 13.2-151.8-121.6 153.1 4.0 2.2 2.8 11 11 A V E -K 21 0B 19 -2,-0.3 2,-0.8 10,-0.2 10,-0.2 -0.991 5.4-152.5-124.6 122.1 4.2 5.7 4.1 12 12 A L E +K 20 0B 76 8,-3.0 8,-2.2 -2,-0.5 2,-0.3 -0.867 44.1 132.9 -92.9 112.3 1.2 7.5 5.5 13 13 A Q + 0 0 96 -2,-0.8 2,-0.1 6,-0.2 5,-0.1 -0.928 15.4 147.7-154.2 170.0 1.9 11.2 5.0 14 14 A G > - 0 0 53 3,-0.4 3,-1.9 -2,-0.3 2,-0.2 -0.332 64.6 -35.6 147.2 115.8 0.1 14.2 3.6 15 15 A G T 3 S- 0 0 91 1,-0.3 -1,-0.2 -2,-0.1 0, 0.0 -0.267 126.4 -2.6 58.7-115.9 0.3 17.9 4.5 16 16 A N T 3 S+ 0 0 164 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.427 99.9 120.0 -92.7 -2.7 0.9 18.6 8.2 17 17 A K S < S- 0 0 85 -3,-1.9 -3,-0.4 1,-0.1 43,-0.1 -0.392 70.2-121.0 -62.4 136.7 0.8 14.8 9.3 18 18 A V - 0 0 21 42,-0.2 28,-0.1 -2,-0.1 -1,-0.1 -0.699 46.0-106.6 -74.5 124.6 3.9 13.4 10.9 19 19 A P - 0 0 26 0, 0.0 28,-2.3 0, 0.0 2,-0.5 -0.269 30.3-155.2 -63.7 143.1 4.8 10.6 8.5 20 20 A V E -Kl 12 47B 5 -8,-2.2 -8,-3.0 26,-0.2 2,-0.8 -0.991 5.7-149.1-119.1 122.2 4.1 7.0 9.5 21 21 A V E -Kl 11 48B 0 26,-3.1 28,-3.2 -2,-0.5 2,-1.5 -0.866 1.6-155.3 -93.8 109.5 6.2 4.2 7.9 22 22 A N E -K 10 0B 9 -12,-2.6 -12,-1.9 -2,-0.8 28,-0.1 -0.735 28.6-150.0 -79.2 88.1 4.2 1.0 7.6 23 23 A I - 0 0 0 -2,-1.5 45,-0.2 26,-0.4 11,-0.1 -0.121 18.1 -91.8 -58.7 156.4 7.3 -1.1 7.5 24 24 A A - 0 0 12 1,-0.1 -1,-0.1 45,-0.0 45,-0.1 -0.310 50.6 -87.5 -65.8 149.8 7.5 -4.4 5.7 25 25 A D - 0 0 42 43,-0.2 8,-0.3 1,-0.1 -1,-0.1 -0.384 54.9-114.3 -55.9 131.1 6.7 -7.7 7.5 26 26 A P - 0 0 2 0, 0.0 6,-0.3 0, 0.0 44,-0.1 -0.301 25.4-115.3 -68.4 157.9 10.0 -8.9 9.0 27 27 A N > - 0 0 44 4,-2.3 3,-2.0 106,-0.1 5,-0.0 -0.110 45.4 -78.9 -76.9-173.8 11.7 -12.0 7.9 28 28 A S T 3 S+ 0 0 118 1,-0.3 -1,-0.1 2,-0.1 106,-0.0 0.666 131.9 54.2 -63.8 -23.7 12.3 -15.1 10.1 29 29 A G T 3 S- 0 0 32 2,-0.1 -1,-0.3 106,-0.0 103,-0.0 0.316 121.4-105.0 -92.3 5.8 15.2 -13.4 11.9 30 30 A G S < S+ 0 0 10 -3,-2.0 44,-2.2 1,-0.2 45,-1.9 0.490 74.5 138.4 86.7 8.1 13.1 -10.4 12.8 31 31 A V E - b 0 75A 4 43,-0.2 -4,-2.3 42,-0.2 2,-0.7 -0.752 39.7-158.2 -91.8 126.5 14.5 -8.0 10.2 32 32 A S E - b 0 76A 0 43,-2.9 45,-2.9 -2,-0.6 2,-0.7 -0.895 11.6-159.5 -99.9 113.3 12.2 -5.7 8.4 33 33 A H E - b 0 77A 58 -2,-0.7 2,-0.5 -8,-0.3 45,-0.2 -0.861 11.3-176.3-101.4 108.9 13.9 -4.7 5.1 34 34 A N E - b 0 78A 1 43,-2.8 45,-3.0 -2,-0.7 2,-0.4 -0.939 8.4-159.5-112.9 118.1 12.4 -1.5 3.7 35 35 A K E - b 0 79A 89 -2,-0.5 -29,-2.4 -29,-0.4 2,-0.4 -0.813 10.9-173.5 -97.7 141.6 13.7 -0.1 0.4 36 36 A F E -Ab 5 80A 0 43,-2.4 45,-2.9 -2,-0.4 46,-0.6 -0.994 31.5-152.9-133.7 138.8 13.1 3.5 -0.5 37 37 A Q E S+ 0 0 57 -33,-2.4 45,-0.5 -2,-0.4 47,-0.4 0.880 99.2 12.6 -67.3 -41.5 13.7 5.6 -3.6 38 38 A Q E -A 4 0A 43 -34,-1.1 -34,-2.8 -3,-0.1 2,-0.4 -0.997 69.3-175.3-137.8 132.2 14.1 8.6 -1.3 39 39 A F + 0 0 0 -2,-0.3 2,-0.3 -36,-0.2 48,-0.2 -0.954 19.8 145.1-133.0 116.1 14.5 8.6 2.6 40 40 A N - 0 0 23 -2,-0.4 2,-0.4 -38,-0.3 48,-0.2 -0.990 27.6-155.9-145.0 148.2 14.5 11.8 4.6 41 41 A V B -m 88 0B 3 46,-2.7 48,-1.4 -2,-0.3 2,-0.3 -0.989 13.8-178.5-128.8 132.5 13.3 12.8 8.0 42 42 A A > - 0 0 57 -2,-0.4 3,-1.5 3,-0.4 49,-0.1 -0.864 39.7 -35.8-124.9 160.2 12.4 16.4 9.0 43 43 A N T 3 S+ 0 0 117 1,-0.3 47,-0.1 -2,-0.3 -1,-0.1 -0.266 125.5 24.9 -55.6 141.8 11.2 17.8 12.3 44 44 A P T 3 S- 0 0 72 0, 0.0 47,-2.7 0, 0.0 -1,-0.3 -0.999 110.0-130.7 -81.9 -7.0 9.4 16.7 14.3 45 45 A G E < - n 0 91B 1 -3,-1.5 -3,-0.4 45,-0.3 2,-0.3 -0.982 19.5 -69.5 140.9-146.2 10.5 13.3 12.9 46 46 A V E - n 0 92B 0 45,-2.1 47,-2.5 -2,-0.3 2,-0.5 -0.983 27.4-134.7-148.7 149.2 9.0 10.1 11.7 47 47 A V E -ln 20 93B 0 -28,-2.3 -26,-3.1 -2,-0.3 2,-0.6 -0.960 10.3-152.4-111.6 124.5 7.1 7.2 13.2 48 48 A F E -ln 21 94B 2 45,-3.3 47,-2.9 -2,-0.5 2,-1.2 -0.821 20.9-135.6 -90.1 122.5 8.1 3.6 12.3 49 49 A N E + n 0 95B 1 -28,-3.2 -26,-0.4 -2,-0.6 47,-0.1 -0.653 44.0 151.8 -90.5 95.7 5.0 1.5 12.7 50 50 A N E + n 0 96B 0 45,-2.7 47,-1.6 -2,-1.2 2,-0.4 -0.183 38.5 126.7-107.4 36.7 5.9 -1.7 14.6 51 51 A G - 0 0 1 45,-0.2 15,-2.2 13,-0.2 18,-0.2 -0.800 44.3-174.9-105.4 133.3 2.5 -2.1 16.1 52 52 A L S S+ 0 0 74 -2,-0.4 2,-0.3 13,-0.2 13,-0.2 0.482 81.3 47.7 -92.9 -8.8 0.1 -5.0 16.0 53 53 A T S S- 0 0 92 11,-0.1 13,-0.1 1,-0.0 2,-0.1 -0.922 93.3 -99.0-130.0 156.9 -2.6 -2.9 17.7 54 54 A D + 0 0 87 -2,-0.3 2,-0.3 10,-0.1 10,-0.2 -0.363 61.4 124.0 -69.8 152.8 -4.0 0.6 17.2 55 55 A G E -A 63 0C 24 8,-2.7 8,-2.4 -2,-0.1 2,-0.4 -0.838 53.5 -71.3-176.9-154.0 -2.6 3.3 19.5 56 56 A V E -A 62 0C 106 6,-0.3 6,-0.2 -2,-0.3 2,-0.2 -1.000 28.5-147.1-137.2 130.2 -0.9 6.6 19.8 57 57 A S E > -A 61 0C 5 4,-2.5 4,-1.3 -2,-0.4 38,-0.1 -0.662 22.9-123.4 -91.3 158.1 2.7 7.6 19.1 58 58 A R T 4 S+ 0 0 197 -2,-0.2 -1,-0.1 1,-0.2 4,-0.1 0.915 108.2 25.8 -65.6 -47.0 4.5 10.3 21.1 59 59 A I T 4 S+ 0 0 38 1,-0.1 -1,-0.2 2,-0.1 -41,-0.1 0.701 131.3 36.4 -91.4 -18.5 5.3 12.6 18.2 60 60 A G T 4 S- 0 0 27 1,-0.3 -42,-0.2 -43,-0.1 -2,-0.2 0.462 89.1-143.9-116.2 -7.9 2.5 11.6 15.7 61 61 A G E < +A 57 0C 30 -4,-1.3 -4,-2.5 2,-0.0 -1,-0.3 -0.332 60.0 15.0 70.9-154.0 -0.6 11.0 17.7 62 62 A A E +A 56 0C 79 -6,-0.2 2,-0.3 -4,-0.1 -6,-0.3 -0.116 64.4 159.6 -61.2 141.0 -3.1 8.3 16.8 63 63 A L E -A 55 0C 18 -8,-2.4 -8,-2.7 3,-0.0 2,-0.2 -0.984 31.6-121.0-153.0 159.7 -2.3 5.6 14.3 64 64 A T - 0 0 80 -2,-0.3 -13,-0.2 -10,-0.2 -10,-0.1 -0.523 45.9 -77.2 -95.5 164.2 -3.6 2.1 13.5 65 65 A K - 0 0 95 -2,-0.2 -13,-0.2 -13,-0.2 -1,-0.2 -0.164 55.5 -96.4 -53.9 154.7 -1.8 -1.1 13.5 66 66 A N > - 0 0 3 -15,-2.2 3,-1.6 1,-0.1 -1,-0.1 -0.673 29.3-153.3 -78.5 113.3 0.6 -1.8 10.6 67 67 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.669 89.2 63.0 -66.7 -15.9 -1.4 -3.9 8.1 68 68 A N T 3 S+ 0 0 26 -45,-0.2 2,-0.3 -60,-0.1 -43,-0.2 0.697 84.0 99.4 -74.5 -25.5 1.8 -5.5 6.7 69 69 A L < + 0 0 19 -3,-1.6 3,-0.1 -18,-0.2 -44,-0.1 -0.522 28.9 162.1 -81.2 128.6 2.8 -7.2 10.0 70 70 A T S S+ 0 0 107 1,-0.4 2,-0.3 -2,-0.3 -1,-0.2 0.403 88.7 5.5-101.6 -14.6 2.2 -10.8 10.9 71 71 A R S S- 0 0 99 -3,-0.1 -1,-0.4 -20,-0.0 2,-0.2 -0.957 88.6 -96.1-155.7 164.1 4.9 -10.3 13.6 72 72 A Q - 0 0 68 -2,-0.3 2,-0.2 -3,-0.1 -22,-0.1 -0.574 38.5-114.8 -85.8 147.7 6.9 -7.4 15.0 73 73 A A - 0 0 0 -2,-0.2 -42,-0.2 1,-0.1 3,-0.1 -0.516 14.8-164.6 -75.7 146.0 10.4 -6.6 13.9 74 74 A S S S+ 0 0 51 -44,-2.2 26,-2.5 1,-0.3 2,-0.3 0.642 87.6 26.0 -93.9 -18.4 13.5 -6.7 16.0 75 75 A A E -bc 31 100A 6 -45,-1.9 -43,-2.9 24,-0.3 2,-0.5 -0.993 68.6-158.5-145.1 133.5 15.5 -4.6 13.5 76 76 A I E -bc 32 101A 1 24,-3.0 26,-2.6 -2,-0.3 2,-0.5 -0.974 10.8-168.7-118.5 114.8 14.1 -2.1 11.0 77 77 A L E -bc 33 102A 0 -45,-2.9 -43,-2.8 -2,-0.5 2,-0.5 -0.930 7.3-168.9-104.5 127.2 16.4 -1.3 8.0 78 78 A A E -bc 34 103A 1 24,-2.7 26,-2.8 -2,-0.5 2,-0.5 -0.987 14.0-175.7-112.9 114.4 15.6 1.6 5.8 79 79 A E E -bc 35 104A 5 -45,-3.0 -43,-2.4 -2,-0.5 2,-0.5 -0.963 19.4-141.2-117.0 125.7 17.8 1.3 2.6 80 80 A V E -b 36 0A 0 24,-2.7 -43,-0.2 -2,-0.5 27,-0.1 -0.776 16.5-176.5 -86.4 128.0 17.8 4.0 -0.1 81 81 A T + 0 0 47 -45,-2.9 -44,-0.2 -2,-0.5 -1,-0.1 0.567 58.3 63.0-101.2 -12.9 18.1 2.4 -3.5 82 82 A D S S- 0 0 72 -46,-0.6 25,-0.2 -45,-0.5 -44,-0.1 0.070 96.1 -86.2 -99.8-148.9 18.4 5.5 -5.8 83 83 A T S S+ 0 0 112 23,-0.1 -45,-0.1 2,-0.1 -46,-0.0 0.486 85.8 97.3-107.9 -3.6 21.0 8.3 -6.2 84 84 A S - 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