==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER FIBRIL PROTEIN 25-MAY-06 2CO7 . COMPND 2 MOLECULE: SAFA PILUS SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR H.REMAUT,R.J.ROSE,T.J.HANNAN,S.J.HULTGREN,S.E.RADFORD,A.E.AS . 309 7 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14723.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 63.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 117 37.9 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 . 30 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 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 0 0 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 PARALLEL BRIDGES PER LADDER . 3 3 3 5 5 2 0 1 1 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 . 0 1 2 0 0 1 0 0 1 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 20 A P 0 0 105 0, 0.0 27,-2.9 0, 0.0 28,-0.4 0.000 360.0 360.0 360.0 113.4 37.1 13.5 15.6 2 21 A Q + 0 0 37 25,-0.3 28,-0.3 26,-0.2 27,-0.3 0.849 360.0 97.9 -65.1 -36.6 38.4 10.5 13.6 3 22 A D S S- 0 0 25 1,-0.1 2,-0.4 122,-0.1 25,-0.2 -0.221 84.5-107.5 -62.4 141.2 41.4 12.5 12.6 4 23 A L - 0 0 3 119,-0.3 119,-1.1 23,-0.1 2,-0.4 -0.554 35.2-178.4 -66.3 124.1 44.7 12.1 14.4 5 24 A T E -AB 26 122A 52 21,-2.1 21,-3.3 -2,-0.4 2,-0.4 -0.999 8.0-168.9-121.7 128.2 45.6 15.0 16.6 6 25 A V E -AB 25 121A 1 115,-3.2 115,-2.4 -2,-0.4 2,-0.4 -0.930 5.4-167.5-123.2 137.4 48.9 14.7 18.4 7 26 A S E -AB 24 120A 22 17,-2.6 17,-2.4 -2,-0.4 2,-0.5 -0.987 9.2-167.2-125.2 134.9 50.3 16.8 21.3 8 27 A L E -AB 23 119A 0 111,-2.8 111,-2.9 -2,-0.4 15,-0.2 -0.984 18.5-170.4-120.7 113.6 53.8 16.9 22.6 9 28 A I E -A 22 0A 46 13,-3.1 13,-2.0 -2,-0.5 109,-0.1 -0.929 19.6-126.6-114.8 123.5 53.8 18.8 25.9 10 29 A P E A 21 0A 50 0, 0.0 11,-0.3 0, 0.0 10,-0.1 -0.379 360.0 360.0 -67.4 146.6 56.9 19.9 27.8 11 30 A V 0 0 113 9,-2.0 0, 0.0 -2,-0.0 0, 0.0 -0.852 360.0 360.0-109.1 360.0 57.1 18.9 31.5 12 ! 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 13 37 A K 0 0 164 0, 0.0 85,-0.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 113.1 72.2 17.1 37.1 14 38 A N - 0 0 85 83,-3.2 3,-0.1 1,-0.1 83,-0.1 -0.647 360.0 -92.6-105.1 160.1 68.7 15.6 36.7 15 39 A A > - 0 0 60 -2,-0.2 3,-2.1 81,-0.1 82,-0.3 -0.276 55.9 -84.3 -62.6 149.3 66.6 13.1 38.7 16 40 A P T 3 S- 0 0 96 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.363 115.4 -2.0 -52.7 128.3 66.7 9.4 37.7 17 41 A S T 3 S- 0 0 64 77,-0.7 76,-0.1 75,-0.4 -2,-0.1 0.762 91.7-170.3 55.9 28.8 64.2 8.9 34.9 18 42 A A < - 0 0 20 -3,-2.1 74,-2.2 73,-0.1 2,-0.3 -0.234 22.6-119.7 -50.2 129.1 63.2 12.6 35.1 19 43 A K E + C 0 91A 121 72,-0.2 72,-0.3 1,-0.1 -1,-0.1 -0.578 38.9 167.2 -77.0 136.7 60.1 13.3 32.9 20 44 A I E + 0 0 26 70,-3.1 -9,-2.0 1,-0.4 2,-0.3 0.618 58.5 11.5-124.9 -24.5 60.7 15.8 30.1 21 45 A A E -AC 10 90A 0 69,-1.5 69,-2.8 -11,-0.3 2,-0.4 -0.979 56.3-140.5-156.1 162.3 57.7 15.6 27.8 22 46 A K E -AC 9 89A 78 -13,-2.0 -13,-3.1 -2,-0.3 2,-0.5 -0.999 12.2-154.6-133.7 129.1 54.2 14.1 27.4 23 47 A L E +AC 8 88A 0 65,-2.9 65,-2.5 -2,-0.4 2,-0.4 -0.910 12.3 179.9-109.0 126.3 52.7 12.6 24.3 24 48 A V E -AC 7 87A 21 -17,-2.4 -17,-2.6 -2,-0.5 2,-0.5 -0.995 7.0-168.4-124.3 130.7 48.9 12.5 23.8 25 49 A V E -A 6 0A 0 61,-1.2 60,-1.8 -2,-0.4 2,-0.4 -0.977 12.1-167.5-118.9 123.3 47.4 11.0 20.6 26 50 A N E +A 5 0A 54 -21,-3.3 -21,-2.1 -2,-0.5 2,-0.3 -0.929 23.2 135.5-117.9 136.1 43.7 11.7 20.1 27 51 A S - 0 0 2 -2,-0.4 -25,-0.3 -23,-0.2 -23,-0.1 -0.821 41.4-144.2-167.2 140.6 41.1 10.2 17.8 28 52 A T S S+ 0 0 96 -27,-2.9 -26,-0.2 -2,-0.3 -25,-0.1 0.496 104.0 36.0 -79.1 -10.0 37.5 9.1 18.3 29 53 A T S S+ 0 0 53 -28,-0.4 -1,-0.1 -27,-0.3 -27,-0.1 0.694 90.8 96.9-117.5 -31.4 38.0 6.2 15.8 30 54 A L - 0 0 12 -28,-0.3 -3,-0.1 1,-0.2 84,-0.1 -0.335 45.9-169.5 -62.2 142.9 41.6 5.0 16.2 31 55 A K S S+ 0 0 105 82,-0.4 53,-2.2 1,-0.3 2,-0.3 0.766 70.6 1.3 -92.8 -40.0 42.0 1.9 18.4 32 56 A E E -G 83 0B 78 81,-0.3 81,-0.4 51,-0.3 -1,-0.3 -0.952 59.3-157.1-144.0 160.0 45.8 2.1 18.6 33 57 A F E -G 82 0B 0 49,-2.6 49,-2.5 -2,-0.3 2,-0.3 -0.959 13.1-135.8-135.1 162.1 48.8 4.1 17.4 34 58 A G E -GH 81 111B 0 77,-2.6 77,-2.2 -2,-0.3 2,-0.3 -0.850 21.0-171.8-109.3 147.8 52.5 3.5 16.9 35 59 A V E +GH 80 110B 2 45,-1.2 45,-0.6 -2,-0.3 2,-0.3 -0.992 7.5 174.4-141.5 136.6 55.2 6.0 18.0 36 60 A R E - H 0 109B 44 73,-2.0 73,-3.0 -2,-0.3 2,-0.2 -0.989 30.8-119.9-133.1 147.5 59.0 6.2 17.4 37 61 A G E - H 0 108B 2 10,-2.9 2,-0.5 -2,-0.3 71,-0.2 -0.615 26.2-138.2 -78.9 145.3 61.6 8.8 18.3 38 62 A I E + H 0 107B 78 69,-3.3 69,-0.5 -2,-0.2 2,-0.3 -0.947 40.4 139.6-110.9 123.3 63.4 10.3 15.3 39 63 A S - 0 0 33 -2,-0.5 3,-0.3 1,-0.1 13,-0.1 -0.970 61.8-126.4-151.6 161.9 67.1 10.8 15.7 40 64 A N S S+ 0 0 136 -2,-0.3 2,-0.5 11,-0.3 -1,-0.1 0.755 114.8 43.8 -73.8 -30.6 70.5 10.5 14.1 41 65 A N E S+D 51 0A 100 10,-0.6 10,-3.3 -3,-0.1 2,-0.3 -0.718 76.3 171.7-120.0 78.4 71.5 8.4 17.1 42 66 A V E -D 50 0A 58 -2,-0.5 8,-0.2 -3,-0.3 -4,-0.0 -0.718 19.9-155.6 -91.0 138.1 68.6 5.9 17.8 43 67 A V + 0 0 84 6,-2.0 2,-0.2 -2,-0.3 7,-0.1 -0.209 61.5 20.7-118.4 39.0 69.4 3.2 20.5 44 68 A D S > S- 0 0 70 1,-0.1 3,-1.2 4,-0.0 5,-0.1 -0.843 80.8 -92.9 176.3 166.7 67.1 0.2 19.7 45 69 A S T 3 S+ 0 0 80 1,-0.2 33,-0.6 -2,-0.2 -1,-0.1 0.810 120.0 44.5 -50.5 -37.8 64.9 -1.6 17.1 46 70 A T T 3 S- 0 0 17 31,-0.1 34,-0.4 -3,-0.1 -1,-0.2 0.492 102.1-124.3 -97.0 -3.7 61.7 0.2 18.1 47 71 A G S < S+ 0 0 0 -3,-1.2 -10,-2.9 2,-0.2 -2,-0.1 0.804 72.7 126.4 66.7 31.0 63.0 3.8 18.4 48 72 A T S S+ 0 0 9 1,-0.2 12,-2.2 -12,-0.2 2,-0.3 0.455 71.5 37.9-102.2 -0.1 61.7 4.0 22.0 49 73 A A E S+ E 0 59A 25 10,-0.2 -6,-2.0 -5,-0.1 2,-0.3 -0.959 75.5 148.9-143.6 133.0 65.1 5.1 23.4 50 74 A W E -DE 42 58A 2 8,-3.0 8,-3.2 -2,-0.3 2,-0.4 -0.966 41.5-103.0-157.5 168.6 67.4 7.4 21.6 51 75 A R E -DE 41 57A 115 -10,-3.3 -10,-0.6 -2,-0.3 2,-0.4 -0.836 27.4-156.9-107.7 140.8 70.1 10.1 22.0 52 76 A V - 0 0 8 4,-2.9 2,-0.5 -2,-0.4 54,-0.1 -0.965 7.0-143.5-126.7 127.3 69.5 13.8 21.5 53 77 A A 0 0 69 -2,-0.4 50,-0.0 52,-0.1 -2,-0.0 -0.792 360.0 360.0 -99.6 120.3 72.1 16.6 20.6 54 78 A G 0 0 52 -2,-0.5 50,-0.3 50,-0.2 -1,-0.1 -0.179 360.0 360.0 -54.2 360.0 71.7 20.1 22.1 55 ! 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 56 85 A I 0 0 51 0, 0.0 -4,-2.9 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 146.3 71.3 13.4 26.4 57 86 A G E +E 51 0A 0 -6,-0.2 36,-1.6 36,-0.2 2,-0.3 -0.763 360.0 173.0 -87.3 120.2 69.6 10.0 26.5 58 87 A V E +EF 50 92A 0 -8,-3.2 -8,-3.0 -2,-0.6 2,-0.3 -0.850 8.4 126.7-125.4 165.2 65.8 10.1 26.1 59 88 A G E -EF 49 91A 0 32,-1.7 32,-3.6 -2,-0.3 -10,-0.2 -0.970 56.8 -50.0 170.4 176.3 62.9 7.7 25.7 60 89 A L E - F 0 90A 7 -12,-2.2 30,-0.2 -2,-0.3 -12,-0.0 -0.451 62.4-108.1 -69.2 146.0 59.6 6.4 26.8 61 90 A S > - 0 0 13 28,-2.1 4,-2.9 -2,-0.1 5,-0.2 -0.294 24.2-113.0 -70.0 161.6 59.3 5.7 30.6 62 91 A S H > S+ 0 0 82 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.900 120.6 53.8 -62.3 -38.4 59.2 2.1 31.8 63 92 A D H > S+ 0 0 102 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.848 111.5 45.3 -62.8 -36.5 55.5 2.7 32.9 64 93 A S H >4 S+ 0 0 3 1,-0.2 3,-1.3 2,-0.2 4,-0.2 0.934 111.2 51.6 -71.4 -45.6 54.7 3.9 29.4 65 94 A L H >< S+ 0 0 51 -4,-2.9 3,-1.4 1,-0.3 -2,-0.2 0.807 102.1 62.7 -56.8 -36.1 56.5 1.0 27.7 66 95 A R H 3< S+ 0 0 167 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.757 97.1 58.6 -59.4 -29.4 54.5 -1.4 30.0 67 96 A R T << S+ 0 0 119 -3,-1.3 16,-0.5 -4,-0.5 -1,-0.3 0.457 75.7 125.2 -84.4 -3.0 51.3 -0.2 28.4 68 97 A S < - 0 0 26 -3,-1.4 14,-0.2 -4,-0.2 3,-0.1 -0.367 48.8-156.5 -62.5 132.5 52.3 -1.2 24.8 69 98 A D - 0 0 78 12,-2.0 2,-0.3 1,-0.3 -1,-0.1 0.872 66.1 -34.9 -73.5 -40.7 49.8 -3.5 23.1 70 99 A S E -I 81 0B 33 11,-0.6 11,-2.9 2,-0.0 2,-0.5 -0.961 51.7-109.7-167.7 170.3 52.3 -5.1 20.7 71 100 A T E -I 80 0B 76 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.998 39.0-172.7-117.3 127.1 55.3 -4.5 18.6 72 101 A E E -I 79 0B 76 7,-2.6 7,-2.2 -2,-0.5 2,-0.9 -0.932 24.9-135.8-122.3 139.2 54.6 -4.6 14.9 73 102 A K E +I 78 0B 131 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.818 33.3 174.3 -92.2 109.2 56.8 -4.6 11.8 74 103 A W E > -I 77 0B 18 3,-2.6 3,-1.6 -2,-0.9 89,-0.2 -0.967 65.4 -14.8-121.7 126.3 55.3 -2.1 9.4 75 104 A N T 3 S- 0 0 92 -2,-0.5 -1,-0.2 86,-0.3 88,-0.1 0.830 129.7 -49.6 48.4 42.7 57.0 -1.1 6.2 76 105 A G T 3 S+ 0 0 62 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.365 120.3 96.0 91.6 -2.3 60.3 -2.5 7.3 77 106 A V E < S- I 0 74B 56 -3,-1.6 -3,-2.6 -31,-0.0 2,-0.3 -0.958 70.6-123.6-127.8 137.7 60.4 -0.8 10.7 78 107 A N E - I 0 73B 32 -33,-0.6 2,-0.4 -2,-0.4 -5,-0.2 -0.668 30.5-177.3 -80.6 133.9 59.5 -2.0 14.3 79 108 A W E - I 0 72B 21 -7,-2.2 -7,-2.6 -2,-0.3 2,-0.4 -0.994 24.0-135.4-131.3 134.4 56.9 0.1 16.1 80 109 A M E -GI 35 71B 26 -45,-0.6 -45,-1.2 -34,-0.4 2,-0.3 -0.762 28.3-145.0 -83.8 135.8 55.5 -0.3 19.6 81 110 A T E -GI 34 70B 0 -11,-2.9 -12,-2.0 -2,-0.4 -11,-0.6 -0.762 16.6-171.7-106.8 151.5 51.7 0.2 19.6 82 111 A F E -G 33 0B 0 -49,-2.5 -49,-2.6 -2,-0.3 -14,-0.1 -0.981 34.8 -89.1-142.0 149.1 49.6 1.8 22.3 83 112 A N E > -G 32 0B 87 -16,-0.5 3,-1.3 -2,-0.3 -51,-0.3 -0.312 55.1-106.3 -53.0 131.0 46.0 2.3 23.1 84 113 A S T 3 S+ 0 0 3 -53,-2.2 -58,-0.1 1,-0.2 -1,-0.1 -0.214 102.6 31.3 -62.3 156.3 44.7 5.5 21.5 85 114 A N T 3 S+ 0 0 85 -60,-1.8 -1,-0.2 1,-0.3 -59,-0.1 0.333 92.7 139.2 73.1 -3.6 44.0 8.6 23.6 86 115 A D < - 0 0 14 -3,-1.3 -61,-1.2 -62,-0.1 2,-0.5 -0.209 51.1-135.6 -58.8 152.9 46.8 7.4 25.9 87 116 A T E -C 24 0A 52 -63,-0.2 2,-0.4 -3,-0.1 -63,-0.2 -0.981 21.7-167.7-111.9 129.9 49.3 9.7 27.4 88 117 A L E -C 23 0A 0 -65,-2.5 -65,-2.9 -2,-0.5 2,-0.4 -0.888 13.5-132.4-114.1 147.9 52.9 8.5 27.2 89 118 A D E -C 22 0A 33 -2,-0.4 -28,-2.1 -67,-0.2 2,-0.5 -0.841 6.3-153.1-104.0 136.2 55.9 9.9 29.1 90 119 A I E +CF 21 60A 0 -69,-2.8 -70,-3.1 -2,-0.4 -69,-1.5 -0.909 26.5 178.1-102.3 129.1 59.2 10.8 27.6 91 120 A V E -CF 19 59A 5 -32,-3.6 -32,-1.7 -2,-0.5 2,-0.7 -0.776 42.1-100.6-125.4 164.9 62.0 10.6 30.2 92 121 A L E - 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