==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN, CELL ADHESION 08-JUN-09 3HR6 . COMPND 2 MOLECULE: PUTATIVE SURFACE-ANCHORED FIMBRIAL SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM DIPHTHERIAE; . AUTHOR H.J.KANG,N.G.PATERSON,A.H.GASPAR,H.TON-THAT,E.N.BAKER . 420 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20744.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 263 62.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 137 32.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 1.7 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-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 48 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 2.9 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 1 1 0 1 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 1 0 1 0 0 0 0 1 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 . 7 6 2 3 3 2 2 1 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 2 1 3 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 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 54 A R 0 0 152 0, 0.0 81,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 137.3 5.0 4.6 -5.2 2 55 A T E -A 81 0A 0 79,-2.8 79,-3.1 106,-0.1 2,-0.3 -0.542 360.0-151.6-121.1 171.2 6.9 2.5 -2.8 3 56 A S E - b 0 121A 0 117,-2.5 119,-2.9 77,-0.2 2,-0.5 -0.988 7.6-147.1-146.3 152.6 6.8 1.5 0.9 4 57 A I E -Ab 78 122A 0 74,-2.1 74,-3.2 -2,-0.3 2,-0.7 -0.990 10.8-162.7-118.9 119.6 9.3 0.4 3.6 5 58 A A E -Ab 77 123A 2 117,-3.1 119,-2.5 -2,-0.5 2,-0.6 -0.914 10.1-157.2-101.2 112.4 8.0 -2.0 6.2 6 59 A V E -Ab 76 124A 0 70,-3.2 70,-2.4 -2,-0.7 2,-0.6 -0.844 6.5-168.4 -94.7 120.8 10.3 -2.0 9.3 7 60 A H - 0 0 10 117,-3.0 2,-0.8 -2,-0.6 68,-0.2 -0.924 13.9-145.6-107.6 118.0 10.3 -5.1 11.4 8 61 A A - 0 0 0 -2,-0.6 13,-2.0 13,-0.4 2,-0.4 -0.710 18.7-163.7 -90.5 107.6 12.0 -4.7 14.7 9 62 A L E -Cd 20 127B 13 117,-2.7 119,-2.8 -2,-0.8 2,-0.7 -0.775 13.3-141.6 -96.3 134.8 13.7 -7.9 15.6 10 63 A M E + d 0 128B 76 9,-2.6 2,-0.3 -2,-0.4 119,-0.2 -0.843 62.1 63.4 -91.3 117.3 14.9 -8.8 19.1 11 64 A G S S- 0 0 16 117,-2.5 155,-0.1 -2,-0.7 -2,-0.1 -0.931 83.5 -62.0 156.7-178.5 18.2 -10.7 19.0 12 65 A L - 0 0 70 -2,-0.3 -2,-0.0 153,-0.1 153,-0.0 -0.816 48.0-118.5-101.0 131.2 21.9 -10.7 18.0 13 66 A P - 0 0 53 0, 0.0 154,-0.3 0, 0.0 -1,-0.0 -0.315 12.8-147.5 -62.7 151.2 22.9 -10.3 14.3 14 67 A T 0 0 146 1,-0.2 -2,-0.0 152,-0.1 0, 0.0 0.862 360.0 360.0 -84.5 -41.5 24.9 -13.1 12.7 15 68 A G 0 0 114 152,-0.0 -1,-0.2 0, 0.0 0, 0.0 -0.646 360.0 360.0 111.5 360.0 27.2 -11.2 10.3 16 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 17 80 A G 0 0 130 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 21.6 13.1 -15.8 12.3 18 81 A L - 0 0 64 1,-0.1 -7,-0.1 -9,-0.0 2,-0.1 -0.244 360.0 -84.9 -63.3 154.1 13.9 -13.7 15.4 19 82 A P - 0 0 66 0, 0.0 -9,-2.6 0, 0.0 2,-0.2 -0.376 39.1-131.9 -63.3 135.1 10.9 -12.3 17.3 20 83 A K B -C 9 0B 110 -11,-0.2 2,-0.4 -3,-0.1 -11,-0.2 -0.591 22.3-146.8 -82.4 150.1 9.3 -9.1 16.1 21 84 A V - 0 0 19 -13,-2.0 3,-0.5 -2,-0.2 -13,-0.4 -0.955 0.8-140.5-124.8 136.4 8.7 -6.5 18.8 22 85 A D S S+ 0 0 68 -2,-0.4 50,-0.2 1,-0.2 74,-0.2 -0.572 79.8 35.9 -90.3 159.8 5.9 -3.9 19.0 23 86 A G S S+ 0 0 8 48,-2.8 72,-2.9 1,-0.3 2,-0.4 0.608 74.6 144.6 78.9 12.3 6.3 -0.4 20.2 24 87 A M - 0 0 0 -3,-0.5 47,-2.1 70,-0.2 2,-0.4 -0.758 43.6-136.9 -87.7 132.4 9.7 0.1 18.7 25 88 A S E +E 70 0C 1 -2,-0.4 66,-3.3 66,-0.4 2,-0.4 -0.763 25.8 175.7-103.4 128.0 10.1 3.6 17.4 26 89 A F E -EF 69 90C 0 43,-2.7 43,-2.6 -2,-0.4 2,-0.5 -0.983 19.2-152.6-130.6 141.5 11.6 4.5 14.1 27 90 A T E -EF 68 89C 2 62,-2.8 62,-3.2 -2,-0.4 2,-0.5 -0.953 13.5-148.5-109.0 131.9 12.1 7.6 12.1 28 91 A L E -EF 67 88C 0 39,-2.7 38,-3.1 -2,-0.5 39,-1.3 -0.877 17.7-175.7 -95.0 126.7 12.3 7.4 8.3 29 92 A Y E -EF 65 87C 21 58,-2.9 58,-3.3 -2,-0.5 2,-0.4 -0.955 21.8-131.4-117.0 146.0 14.6 10.0 6.6 30 93 A R E -EF 64 86C 72 34,-3.4 34,-2.3 -2,-0.4 2,-0.7 -0.783 24.9-124.0 -89.7 134.5 15.1 10.6 2.9 31 94 A V E > -E 63 0C 5 54,-3.3 3,-0.7 -2,-0.4 54,-0.4 -0.738 34.2-123.1 -79.4 116.2 18.7 10.8 1.8 32 95 A N T 3 S+ 0 0 47 30,-2.3 3,-0.1 -2,-0.7 -1,-0.0 -0.296 79.7 3.8 -63.6 140.1 19.0 14.2 0.0 33 96 A E T 3 S+ 0 0 196 1,-0.2 2,-0.4 30,-0.0 -1,-0.2 0.849 88.0 126.9 57.2 45.7 20.3 14.4 -3.5 34 97 A I < - 0 0 23 -3,-0.7 2,-0.6 51,-0.1 51,-0.5 -0.973 33.0-176.7-129.0 116.9 20.6 10.7 -4.3 35 98 A D > - 0 0 81 -2,-0.4 3,-1.4 49,-0.1 6,-0.5 -0.950 7.5-167.6-112.1 105.2 18.9 9.6 -7.5 36 99 A L T 3 S+ 0 0 37 -2,-0.6 -1,-0.1 1,-0.3 48,-0.1 0.485 80.5 72.0 -76.0 -0.9 19.4 5.8 -7.7 37 100 A T T 3 S+ 0 0 121 4,-0.0 2,-0.3 5,-0.0 -1,-0.3 0.488 96.7 61.3 -87.5 -4.9 18.1 5.8 -11.3 38 101 A T S <> S- 0 0 55 -3,-1.4 4,-2.3 1,-0.1 5,-0.1 -0.777 83.5-125.2-118.4 162.8 21.3 7.5 -12.4 39 102 A Q H > S+ 0 0 131 -2,-0.3 4,-2.2 2,-0.2 5,-0.3 0.879 111.5 58.0 -75.5 -38.9 25.0 6.5 -12.3 40 103 A A H > S+ 0 0 81 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.942 115.6 36.5 -47.3 -53.0 25.9 9.7 -10.5 41 104 A G H > S+ 0 0 6 -6,-0.5 4,-2.2 2,-0.2 -5,-0.2 0.870 113.8 54.2 -74.8 -39.0 23.4 8.8 -7.7 42 105 A W H X S+ 0 0 140 -4,-2.3 4,-0.8 -7,-0.4 -1,-0.2 0.851 114.2 43.2 -64.0 -34.9 24.0 5.0 -7.7 43 106 A D H < S+ 0 0 75 -4,-2.2 4,-0.5 2,-0.2 -1,-0.2 0.747 110.7 54.2 -83.4 -29.7 27.8 5.7 -7.2 44 107 A A H >X S+ 0 0 39 -4,-1.4 4,-0.9 -5,-0.3 3,-0.7 0.858 105.7 55.2 -65.4 -39.1 27.2 8.4 -4.6 45 108 A A H 3< S+ 0 0 23 -4,-2.2 3,-0.2 1,-0.2 -2,-0.2 0.829 106.1 51.7 -61.4 -33.9 25.1 5.9 -2.7 46 109 A S T 3< S+ 0 0 96 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.584 109.0 49.7 -82.1 -14.3 28.1 3.5 -2.7 47 110 A K T <4 S+ 0 0 177 -3,-0.7 -1,-0.2 -4,-0.5 -2,-0.2 0.600 83.3 127.0 -91.5 -13.9 30.4 6.1 -1.3 48 111 A I < - 0 0 44 -4,-0.9 2,-0.6 -3,-0.2 3,-0.1 -0.103 45.6-157.4 -57.0 135.2 28.1 7.1 1.6 49 112 A K >> - 0 0 126 1,-0.1 3,-2.9 0, 0.0 4,-0.7 -0.972 16.5-139.8-108.8 118.5 29.5 7.1 5.1 50 113 A L H >> S+ 0 0 72 -2,-0.6 4,-1.8 1,-0.3 3,-1.0 0.804 102.0 65.7 -49.8 -31.5 26.6 6.8 7.6 51 114 A E H 34 S+ 0 0 111 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.765 95.6 58.7 -63.5 -22.6 28.4 9.3 9.9 52 115 A E H <4 S+ 0 0 92 -3,-2.9 10,-0.4 1,-0.2 -1,-0.3 0.774 113.4 36.7 -73.8 -27.7 27.8 11.9 7.1 53 116 A L H << S+ 0 0 5 -3,-1.0 7,-2.3 -4,-0.7 2,-0.3 0.679 133.2 10.0 -96.0 -23.1 24.0 11.4 7.3 54 117 A Y E < +H 59 0D 25 -4,-1.8 -1,-0.3 5,-0.3 2,-0.3 -0.933 67.5 157.4-164.1 127.4 23.7 10.9 11.1 55 118 A T E > +H 58 0D 69 3,-2.4 3,-0.9 -2,-0.3 -4,-0.0 -0.984 60.3 19.8-158.7 148.4 26.1 11.4 13.9 56 119 A N T 3 S- 0 0 152 -2,-0.3 -1,-0.1 1,-0.2 -5,-0.0 0.806 128.7 -57.1 59.6 36.3 26.0 12.0 17.7 57 120 A G T 3 S+ 0 0 44 1,-0.2 -1,-0.2 -3,-0.0 115,-0.0 0.675 121.6 83.9 73.7 19.1 22.4 10.7 18.0 58 121 A H E < S-H 55 0D 93 -3,-0.9 -3,-2.4 0, 0.0 -1,-0.2 -0.993 79.4-104.3-150.8 149.0 21.0 13.2 15.5 59 122 A P E -H 54 0D 44 0, 0.0 -5,-0.3 0, 0.0 2,-0.1 -0.424 31.6-135.6 -72.3 152.1 20.6 13.5 11.7 60 123 A T > - 0 0 32 -7,-2.3 3,-1.3 -2,-0.1 -7,-0.1 -0.370 36.3 -91.0 -93.8-178.4 22.8 15.9 9.7 61 124 A D T 3 S+ 0 0 145 1,-0.3 -8,-0.1 -2,-0.1 -7,-0.1 0.466 113.6 83.2 -75.9 0.3 21.6 18.2 6.9 62 125 A K T 3 S+ 0 0 95 -10,-0.4 -30,-2.3 -9,-0.1 2,-0.3 0.509 91.2 50.7 -79.5 -7.6 22.2 15.5 4.4 63 126 A V E < -E 31 0C 14 -3,-1.3 2,-0.4 -32,-0.2 -32,-0.2 -0.907 68.3-144.8-128.3 159.2 18.8 13.9 5.1 64 127 A T E -E 30 0C 68 -34,-2.3 -34,-3.4 -2,-0.3 -3,-0.0 -0.995 26.5-119.7-124.3 125.7 15.1 15.1 5.4 65 128 A K E +E 29 0C 117 -2,-0.4 -36,-0.3 -36,-0.3 3,-0.1 -0.345 29.5 176.3 -62.2 137.2 12.7 13.6 7.9 66 129 A V E - 0 0 53 -38,-3.1 2,-0.3 1,-0.4 -37,-0.2 0.746 57.6 -41.3-105.2 -53.8 9.6 11.9 6.4 67 130 A A E -E 28 0C 31 -39,-1.3 -39,-2.7 2,-0.0 -1,-0.4 -0.980 42.7-134.5-167.8 167.5 7.9 10.4 9.4 68 131 A T E +E 27 0C 59 -2,-0.3 2,-0.3 -41,-0.2 -41,-0.2 -0.997 30.8 153.5-133.3 139.8 8.2 8.6 12.7 69 132 A K E -E 26 0C 85 -43,-2.6 -43,-2.7 -2,-0.4 2,-0.3 -0.993 35.5-113.5-158.5 169.4 6.2 5.7 14.0 70 133 A K E -E 25 0C 78 -2,-0.3 -45,-0.2 -45,-0.2 2,-0.1 -0.705 38.6-103.5-103.0 147.9 6.1 2.7 16.3 71 134 A T + 0 0 1 -47,-2.1 -48,-2.8 -2,-0.3 2,-0.3 -0.448 38.7 179.1 -67.6 142.1 5.9 -0.9 15.2 72 135 A E B > S+I 75 0E 143 3,-2.4 3,-1.4 -50,-0.2 -51,-0.0 -0.974 71.5 10.9-143.4 137.5 2.4 -2.5 15.7 73 136 A G T 3 S- 0 0 66 -2,-0.3 -51,-0.1 1,-0.3 3,-0.1 0.829 137.8 -58.6 58.5 30.4 1.7 -6.1 14.7 74 137 A G T 3 S+ 0 0 6 1,-0.1 2,-0.3 -54,-0.0 -66,-0.3 0.418 121.1 82.5 83.8 4.4 5.5 -6.5 14.3 75 138 A V B < -I 72 0E 42 -3,-1.4 -3,-2.4 -68,-0.2 2,-0.6 -0.993 54.9-158.8-145.4 142.8 5.8 -3.8 11.7 76 139 A A E -A 6 0A 1 -70,-2.4 -70,-3.2 -2,-0.3 2,-0.6 -0.973 29.4-162.7-113.0 105.8 6.1 -0.0 11.2 77 140 A K E -A 5 0A 89 -2,-0.6 2,-0.8 -72,-0.3 -72,-0.3 -0.855 12.6-163.2 -96.9 118.0 5.0 0.5 7.6 78 141 A F E -A 4 0A 4 -74,-3.2 -74,-2.1 -2,-0.6 3,-0.2 -0.875 27.2-173.4 -98.5 105.7 6.0 3.8 5.9 79 142 A D E + 0 0 102 -2,-0.8 -76,-0.2 -76,-0.2 -77,-0.1 -0.501 49.0 32.5-105.8 163.1 3.6 3.8 2.9 80 143 A N E S+ 0 0 106 1,-0.2 2,-0.3 -2,-0.2 -1,-0.2 0.890 78.2 167.8 61.4 47.3 3.1 6.0 -0.2 81 144 A L E -A 2 0A 8 -79,-3.1 -79,-2.8 -3,-0.2 -1,-0.2 -0.691 37.2-121.5 -98.4 145.0 6.8 6.9 -0.6 82 145 A T - 0 0 51 -2,-0.3 2,-0.1 -81,-0.2 26,-0.1 -0.528 47.0 -90.2 -76.8 142.6 8.6 8.5 -3.6 83 146 A P S S+ 0 0 77 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.400 78.7 118.9 -56.1 125.2 11.4 6.5 -5.0 84 147 A A E - G 0 108C 11 24,-1.9 24,-2.1 -2,-0.1 2,-0.5 -0.958 69.5 -80.7-167.5 173.9 14.6 7.4 -3.1 85 148 A L E - G 0 107C 9 -51,-0.5 -54,-3.3 -54,-0.4 2,-0.3 -0.876 53.3-162.6 -88.2 129.2 17.4 6.3 -0.9 86 149 A Y E -FG 30 106C 0 20,-2.8 20,-2.4 -2,-0.5 2,-0.4 -0.794 17.9-148.1-115.7 158.4 16.1 6.2 2.7 87 150 A L E -FG 29 105C 0 -58,-3.3 -58,-2.9 -2,-0.3 2,-0.6 -0.995 11.6-156.3-125.1 124.2 17.7 6.1 6.1 88 151 A V E -FG 28 104C 0 16,-2.7 16,-1.6 -2,-0.4 2,-0.6 -0.911 10.6-171.0-103.3 123.2 15.9 4.3 8.9 89 152 A V E -F 27 0C 0 -62,-3.2 -62,-2.8 -2,-0.6 2,-0.3 -0.940 15.2-145.2-118.9 112.3 16.7 5.4 12.5 90 153 A Q E -F 26 0C 2 -2,-0.6 -64,-0.3 11,-0.4 2,-0.2 -0.604 27.0-145.4 -69.8 139.0 15.5 3.5 15.5 91 154 A E - 0 0 42 -66,-3.3 3,-0.4 -2,-0.3 -66,-0.4 -0.550 19.7-122.7-107.9 169.2 14.8 6.0 18.3 92 155 A L S S+ 0 0 24 1,-0.2 190,-2.3 -2,-0.2 -66,-0.1 0.307 96.5 79.1 -93.4 5.4 15.1 5.9 22.0 93 156 A N + 0 0 33 188,-0.2 -1,-0.2 -68,-0.1 187,-0.1 -0.082 61.5 134.5-107.8 29.7 11.4 6.7 22.6 94 157 A G S S- 0 0 8 -3,-0.4 -70,-0.2 2,-0.2 -71,-0.1 -0.213 74.7 -98.6 -66.5 171.6 9.9 3.2 22.0 95 158 A A S S+ 0 0 55 -72,-2.9 2,-0.4 1,-0.1 -71,-0.1 0.851 113.1 28.9 -61.3 -37.4 7.3 1.7 24.4 96 159 A E S S- 0 0 106 -73,-0.3 2,-0.3 -74,-0.2 -2,-0.2 -0.933 93.6-108.8-122.2 147.1 10.1 -0.3 26.0 97 160 A A + 0 0 4 186,-0.4 34,-0.8 -2,-0.4 2,-0.3 -0.590 47.4 162.3 -74.6 131.0 13.8 0.7 26.4 98 161 A V E -J 130 0F 12 -2,-0.3 2,-1.0 32,-0.2 32,-0.2 -0.950 52.7 -95.3-136.9 168.8 16.1 -1.4 24.2 99 162 A V E -J 129 0F 13 30,-3.2 30,-2.1 -2,-0.3 166,-0.0 -0.778 64.2-135.9 -84.2 104.7 19.7 -1.3 22.8 100 163 A R - 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