==== 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 2CO1 . 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 . 142 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7163.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 97 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 63 44.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 12 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 3.5 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 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 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 2 1 1 2 3 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 22 A D 0 0 125 0, 0.0 31,-0.6 0, 0.0 32,-0.5 0.000 360.0 360.0 360.0-166.0 36.8 -26.3 44.4 2 23 A L - 0 0 3 129,-0.3 2,-0.6 28,-0.1 28,-0.2 -0.937 360.0-143.3-128.3 146.2 35.9 -23.3 42.2 3 24 A T E -A 29 0A 87 26,-3.2 26,-2.5 -2,-0.3 2,-0.4 -0.964 28.5-168.3-112.2 117.5 37.7 -20.4 40.7 4 25 A V E -A 28 0A 12 -2,-0.6 2,-0.4 24,-0.2 24,-0.2 -0.872 13.1-174.9-111.2 133.4 35.5 -17.3 40.7 5 26 A S E -A 27 0A 49 22,-2.4 22,-3.1 -2,-0.4 2,-0.5 -0.970 7.5-165.8-118.4 143.5 35.9 -13.9 39.0 6 27 A L E -A 26 0A 13 -2,-0.4 20,-0.2 20,-0.2 130,-0.1 -0.970 17.2-171.9-126.3 112.1 33.6 -10.9 39.5 7 28 A I E -A 25 0A 85 18,-2.7 18,-1.9 -2,-0.5 2,-0.1 -0.918 19.8-132.2-117.1 117.7 34.3 -8.3 36.7 8 29 A P E -A 24 0A 61 0, 0.0 2,-0.3 0, 0.0 16,-0.3 -0.432 24.1-127.4 -65.7 133.7 32.9 -4.8 36.5 9 30 A V - 0 0 60 14,-1.7 3,-0.4 -2,-0.1 2,-0.1 -0.639 33.9-113.8 -79.6 139.4 31.3 -3.9 33.1 10 31 A S S S+ 0 0 116 -2,-0.3 -1,-0.1 1,-0.2 14,-0.0 -0.308 80.9 24.9 -82.7 157.9 32.8 -0.7 31.8 11 32 A G + 0 0 67 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.863 65.1 167.8 63.7 42.1 31.3 2.8 31.1 12 33 A L - 0 0 18 128,-0.4 130,-1.6 -3,-0.4 2,-0.4 -0.746 21.6-153.3 -79.0 133.4 28.4 2.7 33.5 13 34 A K B -f 142 0B 116 -2,-0.4 94,-0.2 128,-0.2 130,-0.2 -0.883 12.6-113.6-119.7 146.4 27.0 6.3 33.8 14 35 A A S S+ 0 0 32 128,-2.0 94,-0.2 -2,-0.4 2,-0.2 -0.221 78.8 40.2 -63.9 158.5 25.1 8.3 36.4 15 36 A G E S-G 107 0C 22 92,-3.4 92,-1.9 128,-0.1 2,-0.2 -0.489 108.4 -1.2 92.9-167.9 21.5 9.4 35.7 16 37 A K E S-G 106 0C 171 90,-0.2 90,-0.2 -2,-0.2 2,-0.2 -0.383 72.8-165.6 -64.1 122.6 18.7 7.5 34.1 17 38 A N - 0 0 27 88,-2.4 88,-0.1 -2,-0.2 3,-0.1 -0.676 26.0 -90.9-108.6 161.0 19.9 4.0 33.0 18 39 A A > - 0 0 62 -2,-0.2 3,-1.6 86,-0.1 87,-0.3 -0.365 52.8 -95.6 -62.8 147.5 18.5 1.3 30.7 19 40 A P T 3 S+ 0 0 90 0, 0.0 82,-0.1 0, 0.0 -1,-0.1 -0.463 112.4 12.1 -64.5 140.2 16.2 -1.4 32.4 20 41 A S T 3 S- 0 0 50 80,-1.0 81,-0.1 82,-0.7 -2,-0.1 0.725 90.4-177.3 58.0 25.6 18.3 -4.5 33.3 21 42 A A < - 0 0 17 -3,-1.6 79,-2.7 79,-0.3 2,-0.3 -0.304 27.9-115.9 -51.4 128.7 21.5 -2.5 32.6 22 43 A K E + B 0 99A 124 77,-0.2 77,-0.2 1,-0.1 -1,-0.1 -0.558 42.7 162.5 -74.4 129.0 24.6 -4.7 33.1 23 44 A I E + 0 0 1 75,-2.4 -14,-1.7 1,-0.4 2,-0.3 0.585 63.4 6.7-121.2 -21.9 27.0 -3.7 35.9 24 45 A A E -AB 8 98A 0 74,-1.5 74,-2.5 -16,-0.3 2,-0.4 -0.985 55.6-138.5-159.3 160.6 29.1 -6.9 36.4 25 46 A K E -AB 7 97A 75 -18,-1.9 -18,-2.7 -2,-0.3 2,-0.5 -0.997 15.3-150.3-127.6 126.9 29.8 -10.3 35.1 26 47 A L E -AB 6 96A 1 70,-2.7 70,-2.4 -2,-0.4 2,-0.5 -0.876 11.7-166.6 -98.6 127.3 30.2 -13.3 37.4 27 48 A V E -AB 5 95A 27 -22,-3.1 -22,-2.4 -2,-0.5 2,-0.4 -0.961 5.9-177.7-115.0 126.5 32.6 -16.1 36.1 28 49 A V E +AB 4 94A 0 66,-2.1 65,-1.7 -2,-0.5 66,-1.5 -0.967 3.9 175.1-129.4 119.9 32.6 -19.5 37.8 29 50 A N E +A 3 0A 64 -26,-2.5 -26,-3.2 -2,-0.4 2,-0.3 -0.926 3.3 164.6-122.3 144.1 35.0 -22.3 36.7 30 51 A S - 0 0 9 -2,-0.4 -28,-0.1 -28,-0.2 -2,-0.0 -0.979 28.1-164.7-149.7 151.7 35.6 -25.8 38.2 31 52 A T S S+ 0 0 151 -30,-0.5 -29,-0.1 -2,-0.3 -1,-0.1 0.522 98.8 34.2-102.8 -15.6 37.2 -29.0 37.1 32 53 A T S S+ 0 0 89 -31,-0.6 2,-0.4 1,-0.1 -30,-0.1 0.800 106.8 66.0-106.9 -38.9 35.6 -31.0 39.9 33 54 A L - 0 0 15 -32,-0.5 -1,-0.1 1,-0.1 89,-0.1 -0.769 54.7-159.6-103.1 134.9 32.1 -29.5 40.6 34 55 A K S S+ 0 0 159 -2,-0.4 58,-2.3 87,-0.2 2,-0.3 0.724 74.2 15.2 -78.5 -30.3 29.2 -29.6 38.2 35 56 A E E -HI 91 121D 25 86,-1.2 86,-2.4 56,-0.3 2,-0.3 -0.908 57.6-157.5-143.5 166.0 27.2 -26.7 39.7 36 57 A F E -HI 90 120D 2 54,-2.1 54,-2.4 -2,-0.3 2,-0.4 -0.987 13.2-137.5-142.5 150.8 27.3 -23.8 42.0 37 58 A G E -HI 89 119D 0 82,-2.8 82,-2.8 -2,-0.3 2,-0.4 -0.860 20.0-163.4-101.0 149.8 24.9 -21.7 44.0 38 59 A V E +HI 88 118D 2 50,-1.5 50,-0.5 -2,-0.4 2,-0.3 -0.999 10.9 174.7-134.8 135.2 25.1 -17.9 44.2 39 60 A R E - I 0 117D 44 78,-2.6 78,-3.3 -2,-0.4 2,-0.2 -0.984 30.1-120.2-131.8 145.9 23.6 -15.3 46.7 40 61 A G E - I 0 116D 4 10,-3.3 2,-0.5 -2,-0.3 76,-0.2 -0.613 24.6-139.3 -80.5 149.2 24.1 -11.6 47.0 41 62 A I + 0 0 62 74,-2.6 74,-0.4 -2,-0.2 2,-0.3 -0.951 43.9 114.5-114.2 118.6 25.4 -10.3 50.3 42 63 A S S S- 0 0 41 -2,-0.5 3,-0.3 72,-0.1 13,-0.1 -0.983 72.5 -98.9-163.3 177.0 24.0 -7.1 51.8 43 64 A N S S+ 0 0 181 -2,-0.3 2,-0.4 11,-0.2 12,-0.1 0.726 115.2 46.3 -69.8 -21.8 22.1 -5.4 54.6 44 65 A N E +C 54 0A 67 10,-0.6 10,-2.0 -3,-0.0 2,-0.5 -0.734 64.7 175.5-132.5 84.0 18.9 -5.4 52.3 45 66 A V E -C 53 0A 52 -2,-0.4 8,-0.3 -3,-0.3 -4,-0.0 -0.771 9.6-168.8 -87.1 124.9 18.1 -8.7 50.5 46 67 A V + 0 0 78 6,-1.6 2,-0.3 -2,-0.5 7,-0.2 0.425 57.9 46.7-106.3 -0.4 14.8 -8.3 48.7 47 68 A D S > S- 0 0 57 5,-0.9 3,-1.1 1,-0.0 5,-0.1 -0.919 82.5-108.4-135.6 173.7 13.9 -11.7 47.6 48 69 A S T 3 S+ 0 0 84 -2,-0.3 38,-0.5 1,-0.2 -1,-0.0 0.683 115.4 45.2 -69.3 -18.6 13.7 -15.3 49.0 49 70 A T T 3 S- 0 0 17 36,-0.1 39,-0.5 38,-0.1 -1,-0.2 0.257 105.7-118.5-110.1 6.0 16.7 -16.6 47.0 50 71 A G S < S+ 0 0 1 -3,-1.1 -10,-3.3 2,-0.2 -2,-0.1 0.814 80.4 121.4 57.7 33.4 19.1 -13.7 47.5 51 72 A T S S+ 0 0 5 -12,-0.2 17,-2.1 1,-0.2 2,-0.3 0.340 71.1 44.3-108.2 0.3 19.2 -13.0 43.8 52 73 A A E S+ D 0 67A 15 15,-0.2 -6,-1.6 -5,-0.1 -5,-0.9 -0.974 72.6 146.5-139.2 136.7 18.0 -9.4 44.1 53 74 A W E -CD 45 66A 2 13,-3.0 13,-3.0 -2,-0.3 2,-0.4 -0.927 40.7-104.7-158.4 173.9 19.3 -7.0 46.8 54 75 A R E -CD 44 65A 84 -10,-2.0 -10,-0.6 -2,-0.3 2,-0.4 -0.935 24.6-163.9-117.3 136.9 20.1 -3.3 47.5 55 76 A V E - D 0 64A 7 9,-2.4 9,-2.2 -2,-0.4 2,-0.4 -0.968 11.9-138.0-122.3 140.3 23.5 -1.7 47.6 56 77 A A E - D 0 63A 46 -2,-0.4 7,-0.2 7,-0.2 6,-0.1 -0.758 21.8-115.4 -96.5 137.4 24.5 1.7 49.1 57 78 A G > - 0 0 6 5,-3.2 4,-0.9 -2,-0.4 55,-0.2 -0.418 18.7-135.0 -62.6 142.5 26.8 4.2 47.5 58 79 A K T 4 S+ 0 0 130 53,-2.5 -1,-0.1 2,-0.1 54,-0.1 0.840 99.3 30.7 -66.1 -38.3 30.1 4.9 49.5 59 80 A N T 4 S+ 0 0 139 52,-0.2 -1,-0.1 3,-0.1 51,-0.1 0.783 133.9 25.3 -97.7 -30.5 30.0 8.7 49.2 60 81 A T T 4 S- 0 0 67 51,-0.1 -2,-0.1 2,-0.1 3,-0.1 0.592 88.6-133.3-109.2 -19.0 26.3 9.5 49.0 61 82 A G < + 0 0 49 -4,-0.9 2,-0.1 1,-0.3 -3,-0.1 0.498 54.0 148.4 76.7 0.2 24.7 6.6 50.8 62 83 A K - 0 0 116 -6,-0.1 -5,-3.2 1,-0.1 2,-0.3 -0.456 41.2-127.6 -71.2 143.4 22.1 6.3 48.0 63 84 A E E -D 56 0A 91 -7,-0.2 2,-0.3 -2,-0.1 -7,-0.2 -0.663 20.0-171.4 -94.3 142.2 20.8 2.9 47.2 64 85 A I E -D 55 0A 4 -9,-2.2 -9,-2.4 -2,-0.3 2,-0.5 -0.918 26.4-121.0-120.3 154.8 20.5 1.0 43.9 65 86 A G E +D 54 0A 0 -2,-0.3 36,-1.4 -11,-0.2 2,-0.3 -0.868 38.1 174.9 -95.7 123.9 18.7 -2.3 43.2 66 87 A V E +DE 53 100A 0 -13,-3.0 -13,-3.0 -2,-0.5 2,-0.3 -0.908 10.9 124.1-128.1 155.9 20.9 -5.1 41.9 67 88 A G E -DE 52 99A 0 32,-1.7 32,-3.2 -2,-0.3 -15,-0.2 -0.975 59.3 -48.2 179.0-177.7 20.5 -8.8 41.1 68 89 A L E - E 0 98A 8 -17,-2.1 30,-0.2 -2,-0.3 -17,-0.0 -0.511 63.0-107.5 -67.5 139.2 20.8 -11.5 38.5 69 90 A S > - 0 0 10 28,-2.0 4,-2.4 -2,-0.2 5,-0.2 -0.244 27.8-109.4 -61.8 158.4 19.3 -10.7 35.1 70 91 A S H > S+ 0 0 63 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.879 120.0 51.0 -53.2 -45.5 16.0 -12.4 34.0 71 92 A D H > S+ 0 0 104 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.896 110.1 50.0 -62.7 -42.1 17.9 -14.5 31.4 72 93 A S H >4 S+ 0 0 0 1,-0.2 3,-0.7 2,-0.2 -2,-0.2 0.911 109.6 50.4 -64.3 -43.8 20.4 -15.6 34.0 73 94 A L H >< S+ 0 0 52 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.862 107.1 55.3 -58.5 -37.6 17.7 -16.6 36.4 74 95 A R H 3< S+ 0 0 180 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.676 99.2 61.0 -72.6 -20.0 16.0 -18.6 33.7 75 96 A R T << S+ 0 0 91 -4,-0.8 16,-0.3 -3,-0.7 -1,-0.3 0.400 79.2 127.4 -85.1 -2.9 19.2 -20.6 33.1 76 97 A S < - 0 0 29 -3,-1.2 14,-0.2 -4,-0.2 3,-0.1 -0.223 52.3-154.1 -49.3 139.5 19.0 -21.9 36.7 77 98 A D - 0 0 65 12,-2.6 2,-0.3 1,-0.4 13,-0.2 0.874 67.9 -40.0 -80.7 -43.6 19.2 -25.7 37.2 78 99 A S E -J 89 0D 32 11,-0.8 11,-2.8 9,-0.0 2,-0.5 -0.967 48.9-107.5-166.7 167.6 17.2 -25.6 40.4 79 100 A T E -J 88 0D 73 -2,-0.3 9,-0.3 9,-0.2 2,-0.2 -0.984 44.2-176.5-109.0 116.4 16.6 -23.9 43.7 80 101 A E E -J 87 0D 61 7,-2.8 7,-2.8 -2,-0.5 2,-0.4 -0.595 20.3-123.9-104.7 167.9 18.1 -26.0 46.6 81 102 A K E -J 86 0D 142 5,-0.2 2,-0.5 -2,-0.2 5,-0.2 -0.953 17.3-173.5-117.6 134.0 18.1 -25.6 50.4 82 103 A W E > S-J 85 0D 50 3,-2.5 3,-1.9 -2,-0.4 44,-0.0 -0.973 85.5 -20.8-124.4 111.4 21.2 -25.4 52.6 83 104 A N T 3 S- 0 0 146 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.936 129.9 -52.6 52.1 44.9 20.3 -25.4 56.2 84 105 A G T 3 S+ 0 0 56 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.442 112.2 125.1 74.6 0.7 16.9 -24.2 55.1 85 106 A V E < - 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