==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER FIBRIL PROTEIN 25-MAY-06 2CO4 . 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, . 142 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7052.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 95 66.9 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 . 10 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 5.6 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 2 0 2 2 1 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 0 118 0, 0.0 32,-0.5 0, 0.0 31,-0.5 0.000 360.0 360.0 360.0-156.5 36.9 -26.2 43.7 2 23 A L - 0 0 1 129,-0.2 2,-0.5 28,-0.1 28,-0.2 -0.966 360.0-145.2-134.0 145.6 35.8 -23.2 41.6 3 24 A T E -A 29 0A 83 26,-3.3 26,-2.9 -2,-0.3 2,-0.5 -0.971 26.1-167.5-114.5 121.4 37.5 -20.3 39.9 4 25 A V E -A 28 0A 12 -2,-0.5 2,-0.4 24,-0.2 24,-0.2 -0.907 14.1-179.7-118.5 129.7 35.5 -17.2 40.0 5 26 A S E -A 27 0A 58 22,-2.7 22,-3.1 -2,-0.5 2,-0.5 -0.987 7.5-167.1-122.5 139.4 35.8 -13.9 38.2 6 27 A L E -A 26 0A 13 -2,-0.4 20,-0.2 20,-0.2 130,-0.1 -0.972 13.1-167.6-128.0 112.6 33.5 -10.9 38.5 7 28 A I E -A 25 0A 89 18,-3.0 18,-2.4 -2,-0.5 130,-0.1 -0.900 14.9-136.3-114.4 111.5 34.0 -8.3 35.8 8 29 A P E -A 24 0A 55 0, 0.0 16,-0.3 0, 0.0 2,-0.2 -0.369 29.5-112.8 -62.9 140.4 32.5 -4.7 36.0 9 30 A V > - 0 0 52 14,-2.5 3,-0.5 1,-0.1 131,-0.3 -0.514 30.9-126.5 -77.1 138.5 31.1 -3.5 32.7 10 31 A S T 3 S+ 0 0 108 -2,-0.2 -1,-0.1 1,-0.2 129,-0.0 -0.459 80.7 28.0 -81.1 153.6 32.9 -0.6 31.0 11 32 A G T 3 + 0 0 67 1,-0.2 2,-0.2 -2,-0.1 -1,-0.2 0.653 69.4 165.7 79.0 16.7 31.3 2.6 29.9 12 33 A L < - 0 0 16 -3,-0.5 130,-2.3 128,-0.4 2,-0.4 -0.505 20.3-155.7 -69.4 136.2 28.4 2.9 32.4 13 34 A K B -f 142 0B 118 128,-0.3 94,-0.2 -2,-0.2 130,-0.2 -0.917 13.3-117.8-120.7 136.2 26.9 6.3 32.4 14 35 A A S S+ 0 0 34 128,-3.3 2,-0.2 -2,-0.4 94,-0.2 -0.164 75.9 48.0 -59.7 163.0 24.9 8.2 35.2 15 36 A G E S-G 107 0C 22 92,-3.0 92,-2.6 126,-0.1 2,-0.3 -0.609 105.6 -1.2 99.4-162.1 21.4 9.2 34.5 16 37 A K E S-G 106 0C 166 90,-0.3 2,-0.2 -2,-0.2 90,-0.2 -0.479 72.1-161.5 -68.1 121.1 18.5 7.3 33.0 17 38 A N - 0 0 23 88,-2.7 88,-0.1 -2,-0.3 3,-0.1 -0.687 24.1 -96.2-103.2 159.9 19.7 3.8 32.1 18 39 A A > - 0 0 61 -2,-0.2 3,-1.6 86,-0.1 87,-0.3 -0.359 53.3 -90.8 -66.2 150.5 18.2 1.1 29.8 19 40 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 82,-0.1 -0.433 113.5 9.2 -63.1 140.0 16.0 -1.5 31.5 20 41 A S T 3 S- 0 0 58 80,-0.8 81,-0.1 82,-0.6 -2,-0.1 0.764 87.3-176.7 58.7 30.9 18.1 -4.5 32.6 21 42 A A < - 0 0 18 -3,-1.6 79,-2.2 79,-0.2 2,-0.3 -0.355 29.3-115.8 -57.4 133.4 21.4 -2.6 31.7 22 43 A K E + B 0 99A 115 77,-0.2 77,-0.3 1,-0.1 3,-0.1 -0.552 41.5 166.7 -73.5 135.8 24.3 -5.0 32.2 23 44 A I E + 0 0 0 75,-3.0 -14,-2.5 1,-0.4 2,-0.3 0.574 60.5 11.1-124.3 -19.9 26.7 -3.9 35.0 24 45 A A E -AB 8 98A 0 74,-1.7 74,-2.8 -16,-0.3 2,-0.5 -0.986 57.6-137.6-157.2 152.1 28.9 -7.0 35.7 25 46 A K E -AB 7 97A 70 -18,-2.4 -18,-3.0 -2,-0.3 2,-0.5 -0.960 15.0-153.3-113.0 128.4 29.8 -10.4 34.3 26 47 A L E -AB 6 96A 1 70,-2.9 70,-2.4 -2,-0.5 2,-0.5 -0.888 11.2-171.3 -99.6 127.9 30.1 -13.3 36.6 27 48 A V E -AB 5 95A 25 -22,-3.1 -22,-2.7 -2,-0.5 2,-0.5 -0.985 4.1-178.7-120.8 121.0 32.5 -16.1 35.3 28 49 A V E +AB 4 94A 0 66,-2.0 65,-2.1 -2,-0.5 66,-1.3 -0.974 6.3 177.6-123.7 116.6 32.6 -19.4 37.2 29 50 A N E +A 3 0A 63 -26,-2.9 -26,-3.3 -2,-0.5 2,-0.3 -0.884 3.1 169.1-115.2 151.8 34.9 -22.2 36.0 30 51 A S - 0 0 12 -2,-0.3 -28,-0.1 -28,-0.2 -2,-0.0 -0.956 30.6-163.9-158.3 144.4 35.7 -25.6 37.4 31 52 A T S S+ 0 0 142 -2,-0.3 -29,-0.1 -30,-0.2 -1,-0.1 0.528 100.1 30.2 -92.9 -13.4 37.5 -28.8 36.4 32 53 A T S S+ 0 0 83 -31,-0.5 2,-0.4 1,-0.1 -30,-0.1 0.709 106.0 66.5-120.9 -33.2 35.8 -30.8 39.2 33 54 A L - 0 0 12 -32,-0.5 -1,-0.1 1,-0.1 89,-0.1 -0.852 54.5-159.5-103.7 132.5 32.3 -29.5 39.9 34 55 A K S S+ 0 0 155 -2,-0.4 58,-2.2 87,-0.2 2,-0.3 0.726 73.8 18.3 -77.4 -25.5 29.4 -29.6 37.5 35 56 A E E -HI 91 121D 22 86,-1.1 86,-2.6 56,-0.3 2,-0.3 -0.918 58.1-158.3-145.1 163.6 27.4 -26.8 39.0 36 57 A F E -HI 90 120D 0 54,-2.3 54,-2.5 -2,-0.3 2,-0.3 -0.979 12.2-139.5-142.9 157.9 27.4 -23.8 41.4 37 58 A G E -HI 89 119D 0 82,-2.7 82,-2.4 -2,-0.3 2,-0.3 -0.861 21.1-165.7-110.8 152.0 24.9 -21.8 43.4 38 59 A V E + I 0 118D 2 50,-1.3 50,-0.5 -2,-0.3 2,-0.3 -1.000 10.9 176.4-142.7 140.6 25.1 -18.0 43.7 39 60 A R E - I 0 117D 44 78,-2.2 78,-2.8 -2,-0.3 2,-0.2 -0.994 29.7-120.9-137.7 143.0 23.5 -15.4 46.0 40 61 A G E - I 0 116D 2 10,-3.4 2,-0.5 -2,-0.3 76,-0.2 -0.568 25.0-151.6 -75.1 146.8 24.0 -11.6 46.2 41 62 A I E + I 0 115D 60 74,-2.6 74,-0.6 -2,-0.2 2,-0.3 -0.987 37.7 118.1-122.9 120.0 25.2 -10.3 49.6 42 63 A S S S- 0 0 38 -2,-0.5 3,-0.3 72,-0.1 13,-0.1 -0.907 74.6 -85.3-157.5-167.6 24.3 -6.8 50.8 43 64 A N S S+ 0 0 173 11,-0.3 2,-0.2 -2,-0.3 12,-0.1 0.440 119.6 36.5 -86.8 1.2 22.4 -4.9 53.5 44 65 A N E +C 54 0A 62 10,-0.5 10,-2.3 0, 0.0 2,-0.4 -0.639 66.0 177.5-157.1 84.0 19.1 -5.3 51.6 45 66 A V E -C 53 0A 58 -3,-0.3 8,-0.3 8,-0.2 -4,-0.0 -0.792 11.4-165.2 -90.3 133.8 18.5 -8.6 49.7 46 67 A V + 0 0 78 6,-1.9 2,-0.3 -2,-0.4 7,-0.2 0.406 54.9 48.1-113.9 3.1 15.0 -8.4 48.2 47 68 A D S > S- 0 0 64 5,-0.7 3,-1.3 1,-0.0 5,-0.1 -0.948 80.7-108.0-140.7 169.1 14.0 -11.9 47.2 48 69 A S T 3 S+ 0 0 91 -2,-0.3 38,-0.4 1,-0.3 -3,-0.0 0.578 117.0 44.5 -73.7 -9.8 13.9 -15.5 48.6 49 70 A T T 3 S- 0 0 18 36,-0.1 39,-0.4 3,-0.1 -1,-0.3 0.405 105.3-122.5-108.1 -0.2 16.8 -16.8 46.5 50 71 A G S < S+ 0 0 0 -3,-1.3 -10,-3.4 -11,-0.1 -2,-0.1 0.810 76.1 125.2 62.3 29.4 19.1 -13.8 47.0 51 72 A T + 0 0 7 -12,-0.2 17,-2.4 1,-0.1 2,-0.3 0.408 70.0 43.3-100.7 3.9 19.2 -13.2 43.2 52 73 A A E S+ D 0 67A 15 15,-0.2 -6,-1.9 -5,-0.1 -5,-0.7 -0.983 70.8 146.4-140.8 140.7 18.0 -9.6 43.4 53 74 A W E -CD 45 66A 2 13,-2.7 13,-3.0 -2,-0.3 2,-0.4 -0.913 39.5-109.0-160.3 176.7 19.3 -7.1 46.0 54 75 A R E -CD 44 65A 88 -10,-2.3 -10,-0.5 -2,-0.3 -11,-0.3 -0.954 24.8-165.0-124.9 142.8 20.0 -3.4 46.5 55 76 A V E - D 0 64A 9 9,-2.2 9,-2.4 -2,-0.4 2,-0.4 -0.937 13.6-131.3-128.9 151.8 23.4 -1.7 46.9 56 77 A A E - D 0 63A 41 -2,-0.3 7,-0.2 7,-0.2 2,-0.1 -0.817 23.9-113.2-106.2 138.8 24.4 1.8 48.1 57 78 A G > - 0 0 4 5,-2.6 4,-1.7 -2,-0.4 55,-0.2 -0.438 19.7-134.0 -67.6 139.2 26.8 4.2 46.4 58 79 A K T 4 S+ 0 0 123 53,-3.2 -1,-0.1 1,-0.2 54,-0.1 0.911 100.6 31.4 -57.8 -46.5 30.1 4.9 48.2 59 80 A N T 4 S+ 0 0 137 52,-0.3 -1,-0.2 1,-0.1 51,-0.1 0.738 133.8 25.0 -91.5 -25.5 30.1 8.6 47.8 60 81 A T T 4 S- 0 0 65 51,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.620 85.8-133.7-115.1 -23.8 26.4 9.4 47.8 61 82 A G < + 0 0 50 -4,-1.7 2,-0.1 1,-0.3 -3,-0.1 0.491 53.6 149.4 77.9 -0.3 24.7 6.6 49.7 62 83 A K - 0 0 120 -6,-0.1 -5,-2.6 1,-0.1 2,-0.3 -0.466 41.4-129.5 -68.6 142.0 22.0 6.3 47.0 63 84 A E E -D 56 0A 88 -7,-0.2 2,-0.3 -2,-0.1 -7,-0.2 -0.725 22.3-174.0 -97.1 142.8 20.6 2.9 46.4 64 85 A I E -D 55 0A 5 -9,-2.4 -9,-2.2 -2,-0.3 2,-0.5 -0.941 26.4-119.4-127.1 151.8 20.2 1.0 43.1 65 86 A G E +D 54 0A 1 -2,-0.3 36,-1.5 36,-0.2 2,-0.3 -0.806 38.6 171.7 -92.5 126.9 18.5 -2.4 42.4 66 87 A V E +DE 53 100A 0 -13,-3.0 -13,-2.7 -2,-0.5 2,-0.3 -0.894 7.9 129.7-131.3 164.0 20.7 -5.1 41.0 67 88 A G E -DE 52 99A 0 32,-1.6 32,-2.9 -2,-0.3 -15,-0.2 -0.973 58.2 -47.9 172.7 176.4 20.4 -8.8 40.3 68 89 A L E - E 0 98A 8 -17,-2.4 30,-0.2 -2,-0.3 -17,-0.0 -0.431 66.1-106.9 -64.1 143.3 20.8 -11.7 37.9 69 90 A S > - 0 0 9 28,-2.5 4,-2.7 1,-0.1 5,-0.2 -0.294 24.9-112.6 -66.7 159.7 19.4 -10.9 34.4 70 91 A S H > S+ 0 0 66 2,-0.2 4,-1.9 1,-0.2 -1,-0.1 0.874 120.5 51.2 -60.2 -39.1 16.1 -12.6 33.4 71 92 A D H > S+ 0 0 107 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.928 110.9 48.4 -62.0 -46.6 18.0 -14.5 30.7 72 93 A S H >4 S+ 0 0 2 1,-0.2 3,-1.4 2,-0.2 4,-0.3 0.922 109.3 52.6 -60.7 -44.2 20.6 -15.6 33.3 73 94 A L H >< S+ 0 0 49 -4,-2.7 3,-1.8 1,-0.3 -1,-0.2 0.891 104.8 56.2 -57.7 -39.9 17.8 -16.7 35.7 74 95 A R H 3< S+ 0 0 176 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.626 98.1 62.6 -71.3 -11.2 16.3 -18.8 32.9 75 96 A R T << S+ 0 0 107 -3,-1.4 16,-0.4 -4,-0.6 -1,-0.3 0.462 76.4 124.6 -86.6 -4.0 19.6 -20.7 32.5 76 97 A S < - 0 0 37 -3,-1.8 14,-0.3 -4,-0.3 3,-0.1 -0.221 55.4-150.0 -56.3 142.8 19.3 -22.0 36.1 77 98 A D - 0 0 61 12,-2.7 2,-0.3 1,-0.4 13,-0.2 0.843 68.9 -45.4 -79.5 -33.1 19.5 -25.8 36.4 78 99 A S E -J 89 0D 31 11,-0.9 11,-3.0 9,-0.0 2,-0.5 -0.957 51.5-103.0-179.0 169.4 17.3 -25.8 39.5 79 100 A T E -J 88 0D 67 -2,-0.3 9,-0.3 9,-0.2 2,-0.2 -0.993 44.8-175.7-114.6 121.7 16.8 -24.2 42.9 80 101 A E E -J 87 0D 64 7,-2.7 7,-2.7 -2,-0.5 2,-0.4 -0.625 19.7-124.6-112.2 168.7 18.2 -26.3 45.7 81 102 A K E -J 86 0D 143 5,-0.2 2,-0.6 -2,-0.2 5,-0.2 -0.971 9.2-162.2-119.7 133.3 18.1 -26.1 49.4 82 103 A W E > S-J 85 0D 53 3,-2.4 3,-2.2 -2,-0.4 44,-0.0 -0.960 88.2 -31.1-113.2 106.1 21.2 -26.1 51.8 83 104 A N T 3 S- 0 0 154 -2,-0.6 -1,-0.2 1,-0.3 3,-0.1 0.906 130.1 -43.6 43.9 48.8 19.8 -26.9 55.2 84 105 A G T 3 S+ 0 0 56 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.264 112.3 120.0 90.0 -9.9 16.6 -25.1 54.1 85 106 A V E < - 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