==== 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 2CO6 . COMPND 2 MOLECULE: PUTATIVE OUTER MEMBRANE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR H.REMAUT,R.J.ROSE,T.J.HANNAN,S.J.HULTGREN,S.E.RADFORD,A.E.AS . 333 5 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15424.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 214 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 121 36.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 37 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 1.8 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 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 0 1 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 1 6 5 3 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 . 1 1 2 0 1 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 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 G 0 0 69 0, 0.0 32,-2.7 0, 0.0 33,-0.4 0.000 360.0 360.0 360.0 -38.3 38.6 11.4 17.3 2 21 A S + 0 0 87 30,-0.2 32,-0.3 31,-0.1 2,-0.2 0.912 360.0 62.6 -42.1 -50.4 37.7 10.2 13.8 3 22 A D S S- 0 0 39 29,-0.1 2,-0.3 1,-0.1 134,-0.2 -0.555 95.2-100.1 -94.5 145.7 41.3 10.8 12.6 4 23 A L E +A 136 0A 10 132,-0.5 132,-1.5 -2,-0.2 2,-0.4 -0.394 48.9 177.2 -55.3 115.1 44.7 9.3 13.6 5 24 A T E -AB 135 31A 32 26,-2.5 26,-3.2 -2,-0.3 2,-0.4 -0.993 8.7-173.5-132.1 123.4 46.2 11.9 15.9 6 25 A V E -AB 134 30A 0 128,-3.1 128,-2.7 -2,-0.4 2,-0.4 -0.960 3.8-167.3-120.6 133.9 49.5 11.4 17.7 7 26 A S E -AB 133 29A 17 22,-2.6 22,-2.7 -2,-0.4 2,-0.6 -0.981 6.9-165.4-116.4 132.5 51.1 13.7 20.3 8 27 A L E -AB 132 28A 0 124,-2.8 124,-2.7 -2,-0.4 20,-0.2 -0.971 19.3-167.6-114.3 116.0 54.7 13.4 21.5 9 28 A I E - B 0 27A 55 18,-2.9 18,-2.0 -2,-0.6 122,-0.1 -0.893 16.3-134.4-114.4 123.0 54.9 15.5 24.7 10 29 A P E - B 0 26A 14 0, 0.0 2,-0.4 0, 0.0 16,-0.3 -0.430 23.5-152.3 -68.6 144.2 58.2 16.5 26.4 11 30 A V > - 0 0 47 14,-1.8 3,-0.7 -2,-0.1 2,-0.1 -0.941 22.4 -99.6-120.4 150.1 58.2 16.0 30.2 12 31 A S T 3 S+ 0 0 108 -2,-0.4 12,-0.1 1,-0.2 3,-0.1 -0.355 91.6 69.9 -64.4 136.3 60.1 17.9 32.9 13 32 A G T 3 + 0 0 26 1,-0.5 -1,-0.2 12,-0.1 7,-0.1 -0.237 57.5 111.1 155.2 -56.0 63.3 16.1 34.0 14 33 A L < + 0 0 28 -3,-0.7 -1,-0.5 10,-0.3 2,-0.3 -0.182 42.6 164.2 -47.2 126.4 65.9 16.1 31.3 15 34 A K - 0 0 112 2,-0.2 94,-0.4 215,-0.1 2,-0.1 -0.978 44.4 -95.9-142.9 157.6 68.8 18.4 32.2 16 35 A A S S+ 0 0 42 -2,-0.3 94,-0.2 92,-0.1 2,-0.1 -0.453 96.6 21.0 -61.4 143.0 72.4 19.0 31.2 17 36 A G E S+F 109 0B 23 92,-3.2 92,-2.3 -2,-0.1 -2,-0.2 -0.467 117.9 2.6 89.9-162.1 74.8 17.0 33.4 18 37 A K E -F 108 0B 133 90,-0.2 2,-0.3 -2,-0.1 90,-0.2 -0.377 69.4-160.1 -68.1 132.4 73.9 13.9 35.4 19 38 A N - 0 0 6 88,-2.0 -5,-0.1 -2,-0.1 3,-0.1 -0.704 26.7 -93.0-107.6 159.8 70.3 12.7 35.0 20 39 A A > - 0 0 59 -2,-0.3 3,-1.6 -7,-0.1 87,-0.3 -0.372 56.4 -91.6 -64.9 146.4 68.2 10.4 37.2 21 40 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 82,-0.1 -0.482 109.2 0.5 -67.1 133.4 68.3 6.8 36.2 22 41 A S T 3 S- 0 0 72 82,-0.8 81,-0.1 80,-0.5 82,-0.1 0.762 92.7-174.8 58.6 28.0 65.6 5.8 33.6 23 42 A A < - 0 0 14 -3,-1.6 79,-2.3 79,-0.2 2,-0.2 -0.275 25.3-118.8 -59.4 131.8 64.4 9.5 33.7 24 43 A K E + C 0 101A 117 77,-0.2 -10,-0.3 1,-0.1 77,-0.3 -0.505 38.9 166.3 -71.3 137.4 61.3 10.1 31.7 25 44 A I E + 0 0 0 75,-3.0 -14,-1.8 1,-0.4 2,-0.3 0.517 60.3 14.0-127.2 -19.9 61.8 12.7 28.9 26 45 A A E -BC 10 100A 0 74,-1.7 74,-2.8 -16,-0.3 2,-0.4 -0.989 55.6-143.7-156.8 162.9 58.7 12.3 26.7 27 46 A K E -BC 9 99A 83 -18,-2.0 -18,-2.9 -2,-0.3 2,-0.5 -0.995 14.1-147.7-133.3 132.1 55.2 10.8 26.6 28 47 A L E -BC 8 98A 0 70,-3.1 70,-1.8 -2,-0.4 2,-0.4 -0.906 14.1-175.5-106.4 128.5 53.5 9.3 23.5 29 48 A V E -B 7 0A 22 -22,-2.7 -22,-2.6 -2,-0.5 2,-0.5 -0.980 5.5-169.1-123.8 128.0 49.7 9.6 23.0 30 49 A V E -B 6 0A 4 -2,-0.4 2,-0.4 66,-0.4 -24,-0.2 -0.976 9.6-173.1-118.8 120.3 47.8 7.9 20.1 31 50 A N E +B 5 0A 85 -26,-3.2 -26,-2.5 -2,-0.5 2,-0.3 -0.971 22.3 132.5-120.1 127.4 44.2 9.0 19.6 32 51 A S - 0 0 20 -2,-0.4 -30,-0.2 -28,-0.2 -29,-0.1 -0.867 43.2-144.3-164.6 139.0 41.6 7.5 17.2 33 52 A T S S+ 0 0 103 -32,-2.7 -31,-0.1 -2,-0.3 -30,-0.1 0.624 102.4 40.4 -83.7 -10.1 38.0 6.4 17.9 34 53 A T S S+ 0 0 52 -33,-0.4 -1,-0.2 -32,-0.3 2,-0.1 0.711 92.3 94.5-107.5 -25.2 38.3 3.5 15.5 35 54 A L - 0 0 6 1,-0.1 -3,-0.2 89,-0.1 3,-0.1 -0.367 42.4-176.2 -70.7 145.7 41.8 2.0 16.2 36 55 A K S S+ 0 0 119 87,-0.4 58,-2.2 1,-0.3 59,-0.3 0.691 70.3 8.5-109.9 -33.7 42.3 -0.8 18.7 37 56 A E E -G 93 0C 66 86,-0.3 -1,-0.3 56,-0.3 86,-0.3 -0.948 59.3-162.8-143.1 163.4 46.1 -1.1 18.6 38 57 A F E -G 92 0C 2 54,-2.6 54,-3.0 -2,-0.3 2,-0.3 -0.955 12.3-139.7-139.7 161.2 49.2 0.7 17.2 39 58 A G E -GH 91 121C 0 82,-2.3 82,-2.4 -2,-0.3 2,-0.3 -0.904 19.3-169.1-114.0 147.4 52.8 -0.0 16.6 40 59 A V E +GH 90 120C 2 50,-1.2 50,-0.6 -2,-0.3 2,-0.3 -0.995 10.1 173.4-140.6 138.4 55.7 2.4 17.3 41 60 A R E - H 0 119C 40 78,-1.9 78,-3.1 -2,-0.3 2,-0.2 -0.984 34.2-116.0-132.8 144.4 59.4 2.5 16.4 42 61 A G E - H 0 118C 5 10,-3.2 2,-0.6 -2,-0.3 76,-0.3 -0.579 27.2-130.5 -70.4 142.0 62.0 5.2 16.9 43 62 A I E + H 0 117C 82 74,-3.2 74,-0.6 -2,-0.2 2,-0.3 -0.918 49.9 154.9 -98.3 121.5 63.4 6.6 13.6 44 63 A S - 0 0 44 -2,-0.6 13,-0.1 72,-0.1 3,-0.1 -0.930 63.3-123.3-151.8 155.9 67.1 6.5 14.1 45 64 A N S S+ 0 0 157 11,-0.5 2,-0.3 -2,-0.3 12,-0.1 0.608 105.0 16.0 -69.9 -22.2 70.8 6.3 12.9 46 65 A N - 0 0 47 10,-0.4 2,-0.3 6,-0.0 10,-0.3 -0.963 66.7-155.4-149.1 165.2 71.2 3.1 15.1 47 66 A V - 0 0 65 -2,-0.3 8,-0.2 8,-0.2 3,-0.1 -0.994 9.4-161.7-148.6 142.2 69.1 0.7 16.9 48 67 A V S S+ 0 0 102 6,-2.3 2,-0.3 -2,-0.3 7,-0.1 0.848 80.6 31.2 -94.9 -35.4 69.9 -1.5 19.9 49 68 A D S > S- 0 0 49 5,-0.7 3,-1.5 1,-0.0 5,-0.2 -0.788 84.2-112.3-116.5 157.8 67.1 -4.1 19.5 50 69 A S T 3 S+ 0 0 79 -2,-0.3 38,-0.7 1,-0.2 -1,-0.0 0.563 113.1 65.3 -60.9 -10.5 65.3 -5.5 16.4 51 70 A T T 3 S- 0 0 20 36,-0.1 39,-0.5 38,-0.1 -1,-0.2 0.495 99.8-129.6 -95.2 -6.3 62.2 -3.7 17.7 52 71 A G S < S+ 0 0 0 -3,-1.5 -10,-3.2 2,-0.2 -2,-0.1 0.861 73.2 121.8 57.5 34.9 63.4 -0.1 17.3 53 72 A T S S+ 0 0 6 1,-0.2 17,-2.2 -12,-0.2 2,-0.3 0.377 70.4 40.6-108.2 1.7 62.4 0.7 20.9 54 73 A A E S+D 69 0A 14 15,-0.2 -6,-2.3 -5,-0.2 -5,-0.7 -0.958 73.4 141.0-145.7 134.4 65.8 1.7 22.1 55 74 A W E -D 68 0A 3 13,-2.5 13,-2.8 -2,-0.3 2,-0.4 -0.945 44.4-102.2-161.3 171.4 68.2 3.9 20.1 56 75 A R E -D 67 0A 95 -10,-0.3 -11,-0.5 -2,-0.3 -10,-0.4 -0.865 26.5-166.8-110.9 146.9 70.8 6.6 20.2 57 76 A V E -D 66 0A 13 9,-2.3 9,-2.3 -2,-0.4 2,-0.4 -0.972 12.5-138.5-132.3 138.4 70.2 10.2 19.2 58 77 A A E -D 65 0A 31 -2,-0.4 7,-0.2 7,-0.2 6,-0.1 -0.856 21.1-109.2-108.8 142.4 72.8 12.9 18.7 59 78 A G > - 0 0 5 5,-2.3 4,-1.3 -2,-0.4 55,-0.2 -0.307 23.1-129.9 -62.1 144.6 72.8 16.6 19.7 60 79 A K T 4 S+ 0 0 152 53,-2.8 -1,-0.1 1,-0.2 54,-0.1 0.876 101.9 32.4 -63.4 -40.2 72.4 19.1 16.9 61 80 A N T 4 S+ 0 0 124 52,-0.2 -1,-0.2 1,-0.1 51,-0.1 0.784 132.5 22.9 -90.0 -31.0 75.3 21.3 17.9 62 81 A T T 4 S- 0 0 64 2,-0.1 -2,-0.1 51,-0.1 3,-0.1 0.639 85.8-131.6-116.6 -24.7 77.8 18.9 19.4 63 82 A G < + 0 0 44 -4,-1.3 2,-0.1 1,-0.3 -3,-0.1 0.469 53.2 151.2 82.0 1.1 77.0 15.5 18.0 64 83 A K - 0 0 119 -6,-0.1 -5,-2.3 1,-0.1 2,-0.3 -0.439 40.4-127.1 -69.3 137.7 77.1 14.0 21.5 65 84 A E E -D 58 0A 96 -7,-0.2 2,-0.3 -2,-0.1 -7,-0.2 -0.629 22.1-171.4 -93.5 143.2 74.8 10.9 21.9 66 85 A I E -D 57 0A 2 -9,-2.3 -9,-2.3 -2,-0.3 2,-0.5 -0.938 24.9-124.8-119.5 150.8 72.1 10.2 24.4 67 86 A G E +D 56 0A 0 -2,-0.3 36,-1.4 -11,-0.2 2,-0.3 -0.863 36.6 171.3 -96.9 127.5 70.4 6.8 24.8 68 87 A V E +DE 55 102A 0 -13,-2.8 -13,-2.5 -2,-0.5 2,-0.3 -0.834 9.2 122.7-130.8 164.3 66.6 6.9 24.6 69 88 A G E -DE 54 101A 0 32,-1.3 32,-3.0 -2,-0.3 -15,-0.2 -0.950 58.8 -42.6 167.2-178.0 63.7 4.4 24.3 70 89 A L E - E 0 100A 11 -17,-2.2 30,-0.2 -2,-0.3 -17,-0.0 -0.410 63.1-107.3 -69.1 143.1 60.5 3.1 25.8 71 90 A S > - 0 0 13 28,-2.4 4,-2.5 1,-0.1 5,-0.2 -0.347 28.4-113.8 -63.9 157.0 60.4 2.7 29.6 72 91 A S H > S+ 0 0 75 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.837 121.0 54.0 -68.0 -25.4 60.6 -0.9 30.8 73 92 A D H > S+ 0 0 100 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.880 106.9 49.8 -72.4 -36.5 57.0 -0.4 32.1 74 93 A S H >4 S+ 0 0 1 1,-0.2 3,-0.9 2,-0.2 4,-0.2 0.925 109.7 52.8 -62.4 -43.3 55.9 0.8 28.6 75 94 A L H >< S+ 0 0 60 -4,-2.5 3,-1.8 1,-0.3 -2,-0.2 0.860 102.4 56.9 -59.5 -42.8 57.5 -2.3 27.1 76 95 A R H 3< S+ 0 0 177 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.691 96.8 66.7 -61.6 -21.0 55.7 -4.7 29.4 77 96 A R T << S+ 0 0 134 -3,-0.9 16,-0.4 -4,-0.6 -1,-0.3 0.619 76.5 117.3 -76.9 -10.6 52.4 -3.1 28.1 78 97 A S < - 0 0 30 -3,-1.8 14,-0.2 -4,-0.2 3,-0.1 -0.380 50.4-162.0 -66.8 135.2 53.1 -4.6 24.7 79 98 A D - 0 0 95 12,-1.4 2,-0.3 1,-0.3 -1,-0.1 0.859 67.5 -24.6 -78.8 -45.0 50.5 -7.1 23.4 80 99 A S - 0 0 39 11,-0.5 11,-2.9 9,-0.0 2,-0.5 -0.959 54.0-117.7-159.3 167.3 52.7 -8.7 20.6 81 100 A T E -I 90 0C 71 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.997 37.1-174.6-115.0 125.8 55.6 -8.1 18.3 82 101 A E E -I 89 0C 70 7,-2.6 7,-3.2 -2,-0.5 2,-0.7 -0.815 27.3-124.0-117.3 158.9 54.7 -8.3 14.6 83 102 A K E +I 88 0C 121 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.915 38.7 167.6-105.6 114.2 56.7 -8.1 11.4 84 103 A W E > -I 87 0C 6 3,-2.6 3,-1.7 -2,-0.7 92,-0.2 -0.999 65.0 -5.8-129.4 131.1 55.4 -5.3 9.3 85 104 A N T 3 S- 0 0 86 90,-2.3 91,-0.2 -2,-0.4 -1,-0.1 0.862 130.0 -52.7 51.8 45.5 57.2 -4.0 6.3 86 105 A G T 3 S+ 0 0 55 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.391 122.2 86.4 80.6 -7.4 60.3 -6.1 6.8 87 106 A V E < S- I 0 84C 56 -3,-1.7 -3,-2.6 -36,-0.0 2,-0.4 -0.913 79.9-102.7-132.8 156.5 60.8 -5.0 10.4 88 107 A N E - 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