==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION 08-NOV-09 3KLQ . COMPND 2 MOLECULE: PUTATIVE PILUS ANCHORING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PYOGENES; . AUTHOR C.LINKE,P.G.YOUNG,R.D.BUNKER,T.T.CARADOC-DAVIES,E.N.BAKER . 267 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16399.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 141 52.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 94 35.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 0 0.0 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-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 . 18 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 3.0 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 . 2 0.7 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 . 0 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 0 0 PARALLEL BRIDGES PER LADDER . 0 2 2 2 2 0 0 4 2 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 . 3 1 0 3 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 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 3 A S 0 0 107 0, 0.0 2,-0.3 0, 0.0 245,-0.0 0.000 360.0 360.0 360.0 142.5 -8.8 65.8 -7.2 2 4 A T - 0 0 27 92,-0.1 245,-0.4 246,-0.0 2,-0.3 -0.947 360.0-163.0-141.9 156.2 -5.6 63.7 -6.5 3 5 A V E -A 53 0A 21 50,-2.1 50,-2.9 -2,-0.3 2,-0.3 -0.976 10.0-153.6-139.8 151.1 -4.5 60.4 -5.2 4 6 A Q E -A 52 0A 20 -2,-0.3 2,-0.3 48,-0.2 48,-0.2 -0.910 6.6-169.1-126.8 153.0 -1.1 59.2 -4.1 5 7 A T E -A 51 0A 22 46,-1.9 46,-2.5 -2,-0.3 2,-0.6 -0.999 14.4-146.3-144.6 143.1 0.6 55.7 -3.9 6 8 A S - 0 0 17 -2,-0.3 2,-0.5 44,-0.2 43,-0.1 -0.934 16.4-144.9-108.5 114.0 3.7 54.4 -2.3 7 9 A I - 0 0 4 -2,-0.6 41,-2.5 42,-0.3 2,-0.3 -0.685 23.1-158.6 -78.8 124.3 5.4 51.6 -4.3 8 10 A S E +B 47 0B 32 -2,-0.5 103,-0.5 39,-0.2 2,-0.3 -0.841 14.4 177.2-114.9 144.0 6.9 49.2 -1.8 9 11 A V E -B 46 0B 1 37,-2.9 37,-2.5 -2,-0.3 2,-0.4 -0.864 18.1-137.6-136.2 165.6 9.7 46.6 -2.2 10 12 A E E -Bc 45 112B 53 101,-1.7 103,-2.6 -2,-0.3 2,-0.5 -0.995 5.1-161.0-128.4 135.9 11.6 44.1 -0.0 11 13 A N E -Bc 44 113B 0 33,-2.8 33,-2.1 -2,-0.4 2,-0.5 -0.974 12.4-169.1-109.6 132.2 15.3 43.3 0.1 12 14 A V - 0 0 40 101,-2.7 2,-0.3 -2,-0.5 31,-0.1 -0.964 2.7-169.1-127.1 112.6 16.3 40.0 1.6 13 15 A L - 0 0 10 -2,-0.5 103,-0.1 101,-0.1 4,-0.1 -0.682 28.8-124.8 -94.7 155.9 19.9 39.1 2.5 14 16 A E S S+ 0 0 118 101,-0.4 2,-0.5 -2,-0.3 -1,-0.1 0.816 95.0 58.1 -75.0 -24.8 20.8 35.5 3.4 15 17 A R S > S- 0 0 134 -3,-0.0 3,-1.9 3,-0.0 28,-0.2 -0.900 85.7-127.4-110.4 122.1 22.4 36.5 6.7 16 18 A A T 3 S+ 0 0 93 -2,-0.5 3,-0.1 1,-0.3 -2,-0.1 -0.337 96.8 25.6 -61.3 141.5 20.4 38.4 9.4 17 19 A G T 3 S+ 0 0 69 1,-0.3 2,-0.5 26,-0.1 -1,-0.3 0.374 81.3 137.2 83.5 -8.8 22.2 41.6 10.5 18 20 A D < - 0 0 10 -3,-1.9 25,-0.7 1,-0.1 -1,-0.3 -0.643 32.6-173.3 -64.2 121.2 24.1 41.9 7.2 19 21 A S + 0 0 85 -2,-0.5 23,-0.3 23,-0.2 -1,-0.1 0.169 25.8 145.7-108.6 18.2 23.8 45.6 6.6 20 22 A T - 0 0 15 21,-0.2 22,-2.2 1,-0.1 2,-0.2 -0.299 49.7-120.8 -56.9 130.8 25.3 45.8 3.1 21 23 A P E -F 41 0C 72 0, 0.0 49,-0.4 0, 0.0 48,-0.4 -0.537 31.1-178.6 -82.8 145.6 23.5 48.5 1.0 22 24 A F E -F 40 0C 5 18,-2.2 18,-3.0 -2,-0.2 2,-0.4 -0.960 16.2-139.1-134.5 151.9 21.6 47.8 -2.2 23 25 A S E -F 39 0C 29 -2,-0.3 43,-2.6 43,-0.3 2,-0.4 -0.881 10.4-163.1-117.8 145.8 19.8 50.3 -4.5 24 26 A V E -FG 38 65C 0 14,-2.6 14,-2.6 -2,-0.4 2,-0.4 -0.976 9.3-149.7-128.3 139.0 16.5 49.8 -6.3 25 27 A A E -FG 37 64C 0 39,-2.7 39,-1.7 -2,-0.4 2,-0.5 -0.878 5.2-154.1-116.6 144.0 15.2 51.9 -9.2 26 28 A L E -FG 36 63C 0 10,-2.6 9,-2.6 -2,-0.4 10,-1.4 -0.976 19.8-173.1-112.3 122.5 11.7 52.8 -10.2 27 29 A E E -FG 34 62C 44 35,-2.8 35,-2.1 -2,-0.5 2,-0.6 -0.924 21.1-136.0-117.5 143.8 11.3 53.6 -13.9 28 30 A S E >> -FG 33 61C 9 5,-2.9 5,-1.5 -2,-0.4 4,-1.4 -0.881 10.7-168.7 -94.7 120.1 8.3 55.0 -15.8 29 31 A I T 45S+ 0 0 53 31,-1.9 32,-0.2 -2,-0.6 -1,-0.2 0.840 89.0 58.8 -74.2 -34.3 7.8 53.1 -19.1 30 32 A D T 45S+ 0 0 95 30,-1.2 -1,-0.2 1,-0.2 31,-0.1 0.897 121.0 27.0 -59.6 -39.9 5.3 55.7 -20.2 31 33 A A T 45S- 0 0 47 2,-0.2 -2,-0.2 0, 0.0 -1,-0.2 0.607 98.2-134.4 -94.7 -16.1 8.0 58.4 -19.9 32 34 A M T <5 + 0 0 148 -4,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.931 66.9 119.0 52.3 49.9 11.0 56.1 -20.5 33 35 A K E S- 0 0 57 -49,-0.4 3,-2.1 1,-0.1 -1,-0.1 -0.714 79.9-154.1 -78.9 111.7 29.8 45.7 -3.0 71 73 A K T 3 S+ 0 0 165 -2,-0.8 -1,-0.1 1,-0.3 47,-0.1 0.573 85.0 78.9 -71.8 -7.4 31.4 43.3 -5.4 72 74 A D T 3 S+ 0 0 60 46,-0.1 46,-3.3 45,-0.1 47,-1.0 0.633 95.5 58.7 -66.8 -14.9 31.2 40.5 -2.9 73 75 A Y E < S-J 117 0D 11 -3,-2.1 2,-0.6 44,-0.3 44,-0.2 -0.897 72.6-140.7-119.0 150.0 27.5 40.2 -3.8 74 76 A Q E -J 116 0D 100 42,-2.8 42,-1.9 -2,-0.3 3,-0.1 -0.939 30.4-130.2-101.5 119.3 25.5 39.6 -7.0 75 77 A A - 0 0 6 -2,-0.6 2,-0.4 40,-0.2 -7,-0.0 -0.301 30.9 -97.1 -62.4 151.6 22.4 41.8 -7.1 76 78 A D - 0 0 27 1,-0.1 -11,-0.5 -10,-0.1 -1,-0.1 -0.613 31.8-159.2 -70.1 125.8 19.1 40.1 -7.9 77 79 A T + 0 0 116 -2,-0.4 -1,-0.1 -13,-0.1 2,-0.1 0.353 47.6 126.8 -92.7 6.5 18.5 40.6 -11.7 78 80 A T - 0 0 36 34,-0.1 -13,-0.5 1,-0.0 2,-0.4 -0.399 47.5-151.8 -63.6 135.7 14.7 40.0 -11.4 79 81 A V E -H 64 0C 41 -15,-0.1 24,-3.0 24,-0.1 2,-0.4 -0.934 4.6-152.6-112.1 137.5 12.7 42.8 -13.0 80 82 A F E -HI 63 102C 0 -17,-2.8 -17,-2.4 -2,-0.4 2,-0.4 -0.906 6.1-144.9-112.1 134.3 9.2 43.7 -11.9 81 83 A D E -HI 62 101C 57 20,-2.8 20,-2.1 -2,-0.4 2,-0.5 -0.809 19.1-165.2 -89.1 134.9 6.4 45.2 -14.0 82 84 A V E -HI 61 100C 0 -21,-2.6 -21,-2.9 -2,-0.4 2,-0.5 -0.978 5.1-168.1-128.8 120.6 4.2 47.6 -12.0 83 85 A L E -HI 60 99C 46 16,-2.9 16,-2.7 -2,-0.5 2,-0.5 -0.922 3.0-164.4-109.5 132.4 0.9 48.9 -13.2 84 86 A V E -HI 59 98C 0 -25,-2.9 -25,-2.8 -2,-0.5 2,-0.6 -0.967 5.6-164.3-114.9 116.8 -0.9 51.7 -11.4 85 87 A Y E -HI 58 97C 115 12,-3.1 12,-2.7 -2,-0.5 2,-0.6 -0.901 2.1-166.2-104.2 119.4 -4.6 52.1 -12.3 86 88 A V E +HI 57 96C 0 -29,-3.1 -29,-2.1 -2,-0.6 2,-0.2 -0.899 32.6 120.3-108.3 120.8 -6.2 55.4 -11.4 87 89 A T E - I 0 95C 44 8,-2.0 8,-3.0 -2,-0.6 2,-0.4 -0.803 60.4 -76.7-154.9-169.2 -10.0 55.5 -11.5 88 90 A Y E - I 0 94C 132 6,-0.2 6,-0.2 -2,-0.2 2,-0.1 -0.867 37.1-139.1-104.0 144.7 -13.1 56.1 -9.3 89 91 A D > - 0 0 59 4,-2.3 3,-1.9 -2,-0.4 -1,-0.0 -0.186 45.4 -76.9 -86.3-170.5 -14.5 53.6 -6.9 90 92 A E T 3 S+ 0 0 189 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.686 132.4 49.9 -67.3 -17.9 -18.2 52.9 -6.3 91 93 A D T 3 S- 0 0 128 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.380 120.7-103.9 -99.0 2.2 -18.6 56.1 -4.3 92 94 A G S < S+ 0 0 49 -3,-1.9 2,-0.4 1,-0.3 -2,-0.1 0.609 73.3 143.2 86.5 12.1 -16.9 58.3 -6.8 93 95 A T - 0 0 69 1,-0.1 -4,-2.3 -92,-0.0 2,-0.3 -0.703 56.7-112.9 -90.0 137.9 -13.7 58.7 -4.9 94 96 A L E +I 88 0C 23 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.517 45.5 174.8 -67.4 124.2 -10.4 58.8 -6.8 95 97 A V E -I 87 0C 46 -8,-3.0 -8,-2.0 -2,-0.3 2,-0.4 -0.910 26.1-144.3-131.8 157.8 -8.4 55.7 -6.1 96 98 A A E -I 86 0C 28 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.2 -0.990 12.0-164.2-123.9 122.8 -5.1 54.1 -7.3 97 99 A K E -I 85 0C 63 -12,-2.7 -12,-3.1 -2,-0.4 2,-0.4 -0.920 8.7-158.4-107.3 129.3 -4.8 50.3 -7.6 98 100 A V E -I 84 0C 54 -2,-0.5 2,-0.4 -14,-0.2 -14,-0.2 -0.900 10.7-178.6-113.1 132.2 -1.2 48.9 -7.9 99 101 A I E -I 83 0C 62 -16,-2.7 -16,-2.9 -2,-0.4 2,-0.4 -0.993 4.1-170.4-131.2 129.6 -0.4 45.5 -9.3 100 102 A S E +I 82 0C 22 -2,-0.4 9,-2.4 -18,-0.2 2,-0.3 -0.913 8.2 169.8-120.6 147.6 3.1 44.1 -9.6 101 103 A R E -I 81 0C 76 -20,-2.1 -20,-2.8 -2,-0.4 7,-0.2 -0.986 41.8 -98.9-145.6 150.2 4.4 41.0 -11.4 102 104 A R E > -I 80 0C 87 5,-0.5 3,-2.3 -2,-0.3 -22,-0.2 -0.503 61.0 -90.5 -61.3 140.6 7.7 39.5 -12.3 103 105 A A T 3 S+ 0 0 48 -24,-3.0 -24,-0.1 1,-0.3 -1,-0.1 -0.332 116.2 16.8 -55.8 132.5 8.5 40.4 -15.9 104 106 A G T 3 S+ 0 0 83 1,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.174 102.7 113.6 87.7 -19.0 7.0 37.6 -18.1 105 107 A D < - 0 0 78 -3,-2.3 -1,-0.3 1,-0.1 4,-0.1 -0.591 53.1-158.5 -86.1 149.3 4.8 36.2 -15.3 106 108 A E S S+ 0 0 88 -2,-0.2 -1,-0.1 -3,-0.1 2,-0.1 0.831 72.2 79.8 -89.1 -40.1 1.0 36.3 -15.4 107 109 A E S S- 0 0 82 1,-0.1 -5,-0.5 -6,-0.0 -2,-0.1 -0.398 87.3-110.9 -73.5 143.1 0.5 35.9 -11.6 108 110 A K - 0 0 80 -7,-0.2 2,-0.3 -2,-0.1 -7,-0.3 -0.342 39.2-178.5 -65.2 151.8 0.9 39.0 -9.3 109 111 A S - 0 0 30 -9,-2.4 -9,-0.1 -4,-0.1 2,-0.1 -0.981 31.1-107.4-153.4 143.1 3.9 39.0 -7.0 110 112 A A - 0 0 49 -2,-0.3 2,-0.8 1,-0.1 -101,-0.1 -0.399 46.6-102.4 -65.2 149.6 5.3 41.3 -4.3 111 113 A I + 0 0 8 -103,-0.5 -101,-1.7 -2,-0.1 2,-0.4 -0.685 59.4 160.5 -80.2 110.3 8.4 43.1 -5.3 112 114 A T E -c 10 0B 22 -2,-0.8 2,-0.4 -103,-0.2 -101,-0.2 -0.998 23.4-165.4-137.9 136.4 11.2 41.2 -3.6 113 115 A F E -c 11 0B 0 -103,-2.6 -101,-2.7 -2,-0.4 -38,-0.0 -0.948 3.4-168.9-123.3 143.8 15.0 41.0 -4.3 114 116 A K - 0 0 98 -2,-0.4 -101,-0.1 -103,-0.2 -103,-0.1 -0.698 10.1-162.9-134.5 79.6 17.4 38.5 -2.9 115 117 A P - 0 0 1 0, 0.0 -101,-0.4 0, 0.0 2,-0.4 -0.371 14.3-141.7 -60.2 144.9 21.1 39.5 -3.5 116 118 A K E -J 74 0D 101 -42,-1.9 -42,-2.8 -103,-0.1 2,-0.4 -0.917 8.9-124.5-115.7 137.9 23.5 36.5 -3.1 117 119 A R E -J 73 0D 62 -2,-0.4 -44,-0.3 -44,-0.2 -45,-0.1 -0.648 20.9-172.4 -81.0 130.2 26.9 36.7 -1.5 118 120 A L + 0 0 113 -46,-3.3 2,-0.3 -2,-0.4 -45,-0.2 0.599 65.9 53.4 -97.4 -19.2 29.5 35.3 -3.9 119 121 A V S S- 0 0 79 -47,-1.0 3,-0.1 1,-0.1 -47,-0.0 -0.903 96.5 -92.1-119.0 150.9 32.6 35.3 -1.6 120 122 A K - 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