==== 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 11-JUN-09 3HTL . 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 . 422 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21005.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 261 61.8 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 . 136 32.2 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 . 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 . 45 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 2.8 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 . 6 6 1 3 5 1 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 1 2 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 53 X E 0 0 181 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 130.2 22.5 36.2 90.9 2 54 X R - 0 0 116 82,-0.1 2,-0.2 80,-0.0 82,-0.2 -0.537 360.0-158.5 -82.0 146.4 22.1 36.6 94.7 3 55 X T E -A 83 0A 0 80,-3.0 80,-2.8 -2,-0.2 2,-0.3 -0.682 4.1-155.0-116.8 170.2 24.4 34.6 97.0 4 56 X S E - b 0 123A 1 118,-2.5 120,-2.9 -2,-0.2 2,-0.5 -0.990 6.9-152.2-144.2 150.0 24.2 33.4 100.6 5 57 X I E -Ab 80 124A 0 75,-2.4 75,-2.9 -2,-0.3 2,-0.6 -0.986 10.5-164.0-122.3 114.6 26.7 32.4 103.3 6 58 X A E -Ab 79 125A 3 118,-3.0 120,-2.5 -2,-0.5 2,-0.6 -0.919 8.4-156.9 -97.9 118.9 25.5 29.9 105.9 7 59 X V E -Ab 78 126A 0 71,-3.1 71,-2.9 -2,-0.6 2,-0.6 -0.868 5.0-165.9-103.0 116.8 27.8 29.9 109.0 8 60 X H E -A 77 0A 11 118,-2.7 2,-1.0 -2,-0.6 69,-0.2 -0.937 13.9-145.3-103.0 114.7 27.7 26.7 111.1 9 61 X A - 0 0 0 67,-1.3 14,-1.9 -2,-0.6 2,-0.3 -0.705 20.3-165.0 -86.5 103.0 29.4 27.3 114.5 10 62 X L E -De 22 129B 0 118,-2.6 120,-2.3 -2,-1.0 2,-0.7 -0.707 14.0-140.8 -94.6 137.5 31.1 24.0 115.3 11 63 X X E + e 0 130B 79 10,-2.5 2,-0.3 -2,-0.3 120,-0.2 -0.849 61.4 63.1 -95.8 116.1 32.4 23.2 118.8 12 64 X G S S- 0 0 16 118,-2.7 156,-0.1 -2,-0.7 -2,-0.1 -0.932 83.7 -63.3 158.4 178.8 35.7 21.3 118.6 13 65 X L - 0 0 67 -2,-0.3 2,-0.3 154,-0.1 -2,-0.0 -0.808 48.2-118.4 -98.0 131.5 39.4 21.3 117.7 14 66 X P 0 0 59 0, 0.0 155,-0.3 0, 0.0 -2,-0.0 -0.562 360.0 360.0 -69.2 129.6 40.3 21.7 114.0 15 67 X T 0 0 176 -2,-0.3 153,-0.0 153,-0.1 0, 0.0 -0.463 360.0 360.0 -69.8 360.0 42.2 18.6 112.9 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 78 X S > 0 0 61 0, 0.0 3,-2.4 0, 0.0 -4,-0.0 0.000 360.0 360.0 360.0 11.9 35.4 18.6 110.6 18 79 X I T 3 + 0 0 112 1,-0.3 4,-0.0 -8,-0.0 0, 0.0 0.559 360.0 71.4 -53.4 -12.3 31.8 19.0 109.5 19 80 X G T 3 S+ 0 0 78 2,-0.1 -1,-0.3 -9,-0.0 3,-0.1 0.600 73.9 106.7 -78.7 -15.3 30.8 16.1 112.0 20 81 X L S < S- 0 0 48 -3,-2.4 -8,-0.1 1,-0.1 2,-0.0 -0.232 85.8 -86.7 -60.0 150.8 31.4 18.2 115.1 21 82 X P - 0 0 66 0, 0.0 -10,-2.5 0, 0.0 2,-0.2 -0.377 38.9-130.2 -62.2 139.3 28.4 19.5 117.0 22 83 X K B -D 10 0B 103 -12,-0.2 2,-0.4 -3,-0.1 -12,-0.2 -0.604 21.6-145.3 -85.6 150.7 26.7 22.8 115.9 23 84 X V > - 0 0 19 -14,-1.9 3,-0.5 53,-0.4 -14,-0.4 -0.968 1.8-140.9-126.1 131.2 26.1 25.4 118.5 24 85 X D T 3 S+ 0 0 94 -2,-0.4 50,-0.2 1,-0.2 3,-0.1 -0.525 80.0 34.2 -81.8 159.4 23.2 27.9 118.8 25 86 X G T 3 S+ 0 0 11 48,-2.7 72,-3.2 1,-0.3 2,-0.4 0.608 74.9 144.8 75.4 12.8 23.5 31.5 120.0 26 87 X X < - 0 0 0 -3,-0.5 47,-2.1 70,-0.2 2,-0.4 -0.731 43.0-137.0 -85.3 132.5 27.0 32.0 118.4 27 88 X S E +F 72 0C 2 -2,-0.4 66,-3.0 66,-0.4 2,-0.4 -0.779 26.2 173.7-101.1 129.5 27.4 35.6 117.2 28 89 X F E -FG 71 92C 0 43,-2.7 43,-2.6 -2,-0.4 2,-0.4 -0.976 19.2-152.2-132.5 145.0 29.0 36.5 113.8 29 90 X T E -FG 70 91C 3 62,-2.6 62,-2.8 -2,-0.4 2,-0.5 -0.960 13.6-145.8-110.9 135.6 29.4 39.6 111.8 30 91 X L E -FG 69 90C 0 39,-3.0 38,-3.0 -2,-0.4 39,-1.3 -0.881 18.4-175.1 -96.8 126.9 29.7 39.5 108.0 31 92 X Y E -FG 67 89C 19 58,-2.7 58,-2.9 -2,-0.5 2,-0.4 -0.954 20.2-133.2-116.3 146.4 32.0 42.1 106.4 32 93 X R E -FG 66 88C 78 34,-3.3 34,-2.2 -2,-0.4 2,-0.7 -0.800 22.6-125.0 -93.1 136.5 32.5 42.7 102.7 33 94 X V E > -F 65 0C 5 54,-3.0 3,-0.6 -2,-0.4 54,-0.4 -0.769 33.4-125.9 -82.2 115.6 36.2 43.1 101.5 34 95 X N T 3 S+ 0 0 52 30,-2.2 3,-0.1 -2,-0.7 -1,-0.0 -0.284 78.8 7.9 -64.6 142.8 36.3 46.4 99.7 35 96 X E T 3 S+ 0 0 190 1,-0.2 2,-0.4 30,-0.0 -1,-0.2 0.882 88.2 123.2 56.8 48.1 37.7 46.7 96.2 36 97 X I < - 0 0 19 -3,-0.6 2,-0.6 51,-0.1 51,-0.4 -0.957 34.6-176.9-134.8 117.0 38.0 43.0 95.3 37 98 X D > - 0 0 86 -2,-0.4 3,-1.4 49,-0.1 6,-0.5 -0.962 8.4-166.2-113.0 106.2 36.2 41.8 92.3 38 99 X L T 3 S+ 0 0 36 -2,-0.6 -1,-0.1 1,-0.2 6,-0.1 0.566 81.8 71.5 -71.6 -8.3 36.8 38.1 92.1 39 100 X T T 3 S+ 0 0 123 4,-0.0 2,-0.3 5,-0.0 -1,-0.2 0.604 94.3 65.5 -80.6 -11.5 35.5 38.0 88.5 40 101 X T S <> S- 0 0 58 -3,-1.4 4,-2.2 1,-0.1 5,-0.1 -0.733 85.3-124.8-109.6 158.8 38.6 39.8 87.3 41 102 X Q H > S+ 0 0 128 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.852 112.1 54.9 -70.8 -34.4 42.3 38.7 87.3 42 103 X A H > S+ 0 0 76 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.932 111.9 43.5 -61.4 -46.9 43.3 41.8 89.3 43 104 X G H > S+ 0 0 5 -6,-0.5 4,-2.3 2,-0.2 -5,-0.2 0.895 113.6 50.4 -66.5 -40.4 40.8 41.0 92.0 44 105 X W H X S+ 0 0 150 -4,-2.2 4,-1.3 -7,-0.4 -2,-0.2 0.918 113.0 46.1 -65.3 -42.0 41.6 37.3 92.0 45 106 X D H < S+ 0 0 80 -4,-2.3 4,-0.2 1,-0.2 -1,-0.2 0.828 112.0 51.8 -69.9 -34.2 45.3 38.0 92.4 46 107 X A H >X S+ 0 0 22 -4,-2.0 3,-1.1 -5,-0.2 4,-0.8 0.905 107.4 52.7 -65.3 -41.5 44.7 40.6 95.1 47 108 X A H 3< S+ 0 0 22 -4,-2.3 3,-0.2 1,-0.3 -2,-0.2 0.781 106.1 51.9 -70.1 -28.5 42.6 38.1 97.1 48 109 X S T 3< S+ 0 0 102 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.516 110.1 53.5 -79.9 -6.8 45.3 35.4 97.1 49 110 X K T <4 S+ 0 0 113 -3,-1.1 -2,-0.2 -4,-0.2 -1,-0.2 0.632 82.1 121.6 -95.7 -19.4 47.6 38.2 98.4 50 111 X I < - 0 0 26 -4,-0.8 2,-0.5 -3,-0.2 -3,-0.0 -0.109 46.3-157.4 -62.2 138.2 45.5 39.3 101.4 51 112 X K >> - 0 0 127 1,-0.1 3,-2.0 0, 0.0 4,-0.6 -0.978 19.5-135.5-109.3 127.6 46.9 39.2 104.9 52 113 X L H >> S+ 0 0 79 -2,-0.5 4,-2.2 1,-0.3 3,-1.0 0.782 101.3 67.4 -56.9 -31.3 44.1 39.0 107.5 53 114 X E H 34 S+ 0 0 119 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.805 94.8 58.8 -58.1 -30.4 45.8 41.7 109.7 54 115 X E H <4 S+ 0 0 67 -3,-2.0 10,-0.5 1,-0.2 -1,-0.3 0.803 113.9 36.6 -66.1 -31.1 45.1 44.2 106.9 55 116 X L H << S+ 0 0 3 -3,-1.0 7,-2.2 -4,-0.6 2,-0.3 0.741 133.3 6.7 -94.6 -27.8 41.4 43.5 107.2 56 117 X Y E < +I 61 0D 27 -4,-2.2 -1,-0.3 5,-0.3 2,-0.3 -0.922 69.6 155.2-161.8 127.2 41.0 43.0 110.9 57 118 X T E > +I 60 0D 78 3,-2.3 3,-1.8 -2,-0.3 -4,-0.0 -0.982 58.1 23.0-156.0 158.4 43.4 43.5 113.8 58 119 X N T 3 S- 0 0 153 -2,-0.3 -1,-0.1 1,-0.3 -5,-0.0 0.864 130.8 -56.6 47.8 41.6 43.5 44.2 117.6 59 120 X G T 3 S+ 0 0 34 1,-0.1 -1,-0.3 -3,-0.1 115,-0.0 0.629 120.0 89.0 72.5 16.3 39.9 42.9 117.9 60 121 X H E < S-I 57 0D 132 -3,-1.8 -3,-2.3 0, 0.0 2,-0.2 -0.993 77.0-105.0-149.5 148.2 38.4 45.3 115.3 61 122 X P E -I 56 0D 52 0, 0.0 -5,-0.3 0, 0.0 -6,-0.1 -0.522 35.6-140.2 -74.7 139.5 37.7 45.7 111.5 62 123 X T > - 0 0 41 -7,-2.2 3,-1.0 -2,-0.2 -7,-0.1 -0.127 33.5 -91.4 -86.2-175.4 40.0 48.1 109.5 63 124 X D T 3 S+ 0 0 132 1,-0.2 -8,-0.1 -9,-0.1 -29,-0.1 0.667 115.4 79.1 -69.1 -18.7 39.0 50.5 106.8 64 125 X K T 3 S+ 0 0 99 -10,-0.5 -30,-2.2 -31,-0.1 2,-0.3 0.635 95.0 49.5 -68.6 -12.4 39.6 47.7 104.2 65 126 X V E < -F 33 0C 13 -3,-1.0 2,-0.4 -32,-0.2 -32,-0.2 -0.845 67.3-146.9-127.6 162.7 36.2 46.1 105.0 66 127 X T E -F 32 0C 65 -34,-2.2 -34,-3.3 -2,-0.3 2,-0.1 -0.998 25.3-118.3-131.3 127.3 32.6 47.2 105.3 67 128 X K E +F 31 0C 118 -2,-0.4 -36,-0.3 -36,-0.3 3,-0.1 -0.416 30.3 173.3 -65.9 136.3 30.1 45.7 107.7 68 129 X V E - 0 0 52 -38,-3.0 2,-0.3 1,-0.4 -37,-0.2 0.770 58.1 -32.9-105.2 -55.7 27.0 44.0 106.2 69 130 X A E -F 30 0C 37 -39,-1.3 -39,-3.0 2,-0.0 -1,-0.4 -0.985 42.4-136.9-163.4 165.4 25.2 42.3 109.1 70 131 X T E +F 29 0C 65 -2,-0.3 2,-0.3 -41,-0.3 -41,-0.2 -0.996 30.4 163.8-135.0 139.9 25.5 40.6 112.5 71 132 X K E -F 28 0C 98 -43,-2.6 -43,-2.7 -2,-0.3 2,-0.3 -0.994 30.7-124.8-155.9 151.4 23.5 37.5 113.5 72 133 X K E -F 27 0C 91 -2,-0.3 -45,-0.2 -45,-0.2 7,-0.2 -0.752 38.2-101.8-102.5 147.8 23.3 34.6 116.0 73 134 X T - 0 0 4 -47,-2.1 -48,-2.7 -2,-0.3 2,-0.4 -0.466 34.9-172.4 -66.7 138.0 23.2 30.9 115.0 74 135 X E B > S+C 77 0A 157 3,-2.5 3,-1.5 -50,-0.2 5,-0.1 -0.996 77.5 1.9-131.1 128.4 19.8 29.3 115.2 75 136 X G T 3 S- 0 0 67 -2,-0.4 -51,-0.1 1,-0.3 -1,-0.1 0.756 136.1 -58.2 60.9 26.2 19.6 25.6 114.7 76 137 X G T 3 S+ 0 0 0 1,-0.2 -67,-1.3 -54,-0.1 -53,-0.4 0.229 120.9 91.7 90.6 -10.1 23.4 25.6 114.5 77 138 X V E < -AC 8 74A 43 -3,-1.5 -3,-2.5 -69,-0.2 2,-0.6 -0.924 53.4-161.6-127.3 138.8 23.5 28.0 111.5 78 139 X A E -A 7 0A 1 -71,-2.9 -71,-3.1 -2,-0.4 2,-0.6 -0.969 24.3-160.9-111.8 110.6 23.7 31.8 110.9 79 140 X K E -A 6 0A 87 -2,-0.6 2,-0.7 -73,-0.3 -73,-0.2 -0.834 12.9-167.3-103.2 118.5 22.5 32.5 107.4 80 141 X F E -A 5 0A 6 -75,-2.9 -75,-2.4 -2,-0.6 3,-0.2 -0.902 24.8-176.1-103.6 105.6 23.3 35.7 105.6 81 142 X D E + 0 0 95 -2,-0.7 -77,-0.2 -77,-0.2 -78,-0.1 -0.368 49.0 35.3-101.3 172.2 21.1 35.8 102.5 82 143 X N E S+ 0 0 104 1,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.909 75.7 164.3 50.4 53.5 20.5 38.1 99.4 83 144 X L E -A 3 0A 9 -80,-2.8 -80,-3.0 -3,-0.2 -1,-0.2 -0.789 37.3-126.4-101.8 144.7 24.2 38.9 99.1 84 145 X T - 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