==== 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 2CNY . 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) . 7039.0 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 . 11 7.7 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 . 1 1 1 1 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 0 116 0, 0.0 31,-0.5 0, 0.0 32,-0.4 0.000 360.0 360.0 360.0 159.0 37.0 -26.1 43.5 2 23 A L - 0 0 6 129,-0.2 2,-0.6 28,-0.1 28,-0.2 -0.930 360.0-148.2-121.4 139.1 35.7 -23.0 41.5 3 24 A T E -A 29 0A 87 26,-3.3 26,-2.8 -2,-0.4 2,-0.5 -0.959 27.7-167.4-105.7 116.9 37.6 -20.3 39.7 4 25 A V E +A 28 0A 10 -2,-0.6 2,-0.4 24,-0.2 24,-0.2 -0.891 14.4 179.6-114.2 126.8 35.4 -17.2 40.0 5 26 A S E -A 27 0A 50 22,-3.2 22,-3.4 -2,-0.5 2,-0.5 -0.989 8.2-168.4-121.2 138.2 35.8 -13.9 38.1 6 27 A L E -A 26 0A 13 -2,-0.4 20,-0.2 20,-0.2 130,-0.1 -0.973 13.8-168.5-123.7 113.4 33.4 -10.9 38.5 7 28 A I E -A 25 0A 86 18,-3.1 18,-2.4 -2,-0.5 2,-0.1 -0.905 14.7-136.2-112.7 119.1 34.1 -8.3 35.7 8 29 A P E -A 24 0A 59 0, 0.0 16,-0.3 0, 0.0 2,-0.3 -0.425 28.4-110.8 -75.5 148.4 32.6 -4.8 35.8 9 30 A V > - 0 0 52 14,-2.2 3,-0.5 -2,-0.1 131,-0.3 -0.570 30.6-126.8 -82.5 138.0 31.1 -3.5 32.6 10 31 A S T 3 S+ 0 0 110 -2,-0.3 -1,-0.1 1,-0.2 129,-0.0 -0.433 80.4 24.9 -80.7 153.6 32.9 -0.6 30.8 11 32 A G T 3 + 0 0 71 1,-0.2 2,-0.2 -2,-0.1 -1,-0.2 0.672 69.5 166.8 74.3 21.8 31.3 2.7 29.8 12 33 A L < - 0 0 15 -3,-0.5 130,-2.2 128,-0.4 2,-0.4 -0.515 19.5-156.3 -70.9 136.7 28.4 2.9 32.2 13 34 A K B -f 142 0B 129 128,-0.3 94,-0.2 -2,-0.2 130,-0.2 -0.926 14.0-116.3-120.9 139.5 26.9 6.4 32.2 14 35 A A S S+ 0 0 34 128,-2.9 94,-0.2 -2,-0.4 2,-0.2 -0.126 76.1 48.7 -60.3 163.5 24.8 8.2 34.8 15 36 A G E S-G 107 0C 22 92,-2.8 92,-2.3 126,-0.1 2,-0.4 -0.565 105.3 -3.1 98.9-165.6 21.3 9.2 34.0 16 37 A K E S-G 106 0C 166 90,-0.3 90,-0.2 -2,-0.2 2,-0.2 -0.489 72.1-162.1 -68.9 118.0 18.4 7.2 32.6 17 38 A N - 0 0 22 88,-2.9 88,-0.2 -2,-0.4 3,-0.1 -0.651 24.1 -95.4 -98.7 159.5 19.7 3.7 31.8 18 39 A A > - 0 0 62 -2,-0.2 3,-1.5 86,-0.1 87,-0.3 -0.358 52.6 -90.2 -62.8 147.5 18.2 1.1 29.5 19 40 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 82,-0.1 -0.409 113.8 10.0 -58.7 138.8 16.0 -1.6 31.1 20 41 A S T 3 S- 0 0 55 80,-0.9 81,-0.1 82,-0.6 -2,-0.1 0.760 87.5-176.9 59.4 30.2 18.2 -4.6 32.2 21 42 A A < - 0 0 18 -3,-1.5 79,-2.2 79,-0.2 2,-0.3 -0.357 29.0-116.4 -57.7 129.8 21.4 -2.6 31.5 22 43 A K E + B 0 99A 113 77,-0.2 77,-0.3 1,-0.1 -1,-0.1 -0.538 41.5 166.0 -73.2 133.9 24.4 -5.0 32.1 23 44 A I E + 0 0 0 75,-2.9 -14,-2.2 1,-0.4 2,-0.3 0.571 62.4 9.7-123.4 -17.7 26.7 -3.9 34.9 24 45 A A E -AB 8 98A 0 74,-1.6 74,-2.8 -16,-0.3 2,-0.5 -0.982 57.4-139.6-158.5 155.0 28.9 -6.9 35.6 25 46 A K E -AB 7 97A 72 -18,-2.4 -18,-3.1 -2,-0.3 2,-0.5 -0.982 14.5-151.1-119.0 126.4 29.7 -10.4 34.2 26 47 A L E -AB 6 96A 1 70,-3.0 70,-2.3 -2,-0.5 2,-0.5 -0.870 12.0-169.8 -97.9 129.0 30.2 -13.4 36.5 27 48 A V E -AB 5 95A 24 -22,-3.4 -22,-3.2 -2,-0.5 2,-0.5 -0.982 5.2-179.5-121.4 120.9 32.5 -16.1 35.2 28 49 A V E +AB 4 94A 0 66,-2.2 65,-1.8 -2,-0.5 66,-1.6 -0.975 3.9 175.7-126.4 119.0 32.7 -19.4 37.0 29 50 A N E +A 3 0A 68 -26,-2.8 -26,-3.3 -2,-0.5 2,-0.3 -0.883 2.1 168.4-118.7 152.1 35.0 -22.2 35.9 30 51 A S - 0 0 9 -2,-0.3 -28,-0.1 -28,-0.2 -2,-0.0 -0.933 30.1-161.9-161.5 139.3 35.8 -25.6 37.4 31 52 A T S S+ 0 0 134 -30,-0.3 -29,-0.1 -2,-0.3 -1,-0.1 0.606 100.2 29.9 -89.5 -14.2 37.5 -28.8 36.4 32 53 A T S S+ 0 0 69 -31,-0.5 2,-0.4 1,-0.1 -30,-0.1 0.672 106.0 67.4-120.4 -27.3 35.8 -30.8 39.1 33 54 A L - 0 0 10 -32,-0.4 89,-0.1 1,-0.1 -1,-0.1 -0.873 54.3-160.1-109.2 134.6 32.3 -29.4 39.9 34 55 A K S S+ 0 0 141 -2,-0.4 58,-2.3 87,-0.2 2,-0.3 0.748 72.7 16.4 -83.7 -27.4 29.4 -29.5 37.4 35 56 A E E -HI 91 121D 22 86,-1.3 86,-2.4 56,-0.3 2,-0.3 -0.906 58.7-156.5-141.1 166.5 27.3 -26.7 38.9 36 57 A F E -HI 90 120D 2 54,-2.2 54,-2.3 -2,-0.3 2,-0.3 -0.986 12.7-137.6-141.6 153.3 27.4 -23.7 41.2 37 58 A G E -HI 89 119D 0 82,-3.2 82,-2.1 -2,-0.3 2,-0.3 -0.816 22.3-163.8-102.3 153.0 24.8 -21.8 43.3 38 59 A V E +HI 88 118D 1 50,-1.5 50,-0.5 -2,-0.3 2,-0.3 -1.000 11.9 175.9-141.3 140.8 24.9 -18.0 43.5 39 60 A R E - I 0 117D 44 78,-2.2 78,-2.9 -2,-0.3 2,-0.2 -0.993 29.8-120.4-137.1 143.2 23.4 -15.3 45.8 40 61 A G E - I 0 116D 1 10,-3.4 2,-0.5 -2,-0.3 76,-0.2 -0.572 24.7-151.0 -75.7 147.0 23.8 -11.5 46.0 41 62 A I E + I 0 115D 61 74,-2.5 74,-0.5 -2,-0.2 2,-0.3 -0.988 38.0 118.6-121.9 122.2 25.0 -10.2 49.3 42 63 A S S S- 0 0 37 -2,-0.5 3,-0.3 72,-0.1 13,-0.1 -0.925 74.2 -86.4-160.8-172.2 24.0 -6.7 50.4 43 64 A N S S+ 0 0 174 11,-0.4 2,-0.2 -2,-0.3 12,-0.1 0.450 119.4 34.0 -85.8 -0.4 22.2 -4.7 53.1 44 65 A N - 0 0 67 10,-0.5 10,-2.5 0, 0.0 2,-0.4 -0.609 65.8-179.3-157.5 88.9 18.9 -5.3 51.3 45 66 A V B -C 53 0A 54 -3,-0.3 8,-0.3 8,-0.2 -4,-0.0 -0.776 10.7-165.2 -87.3 132.3 18.2 -8.5 49.4 46 67 A V + 0 0 80 6,-2.0 2,-0.3 -2,-0.4 7,-0.2 0.417 56.2 50.8-114.3 2.1 14.8 -8.3 47.9 47 68 A D S > S- 0 0 60 5,-0.8 3,-1.2 1,-0.0 5,-0.1 -0.941 80.5-111.2-135.2 170.1 13.8 -11.8 46.8 48 69 A S T 3 S+ 0 0 93 -2,-0.3 38,-0.4 1,-0.3 -3,-0.0 0.521 115.3 46.7 -76.8 -5.3 13.6 -15.3 48.4 49 70 A T T 3 S- 0 0 20 3,-0.1 39,-0.4 36,-0.1 -1,-0.3 0.404 106.6-120.0-111.5 -0.2 16.5 -16.6 46.2 50 71 A G S < S+ 0 0 0 -3,-1.2 -10,-3.4 2,-0.1 -2,-0.1 0.803 78.5 123.2 67.5 27.3 18.9 -13.8 46.7 51 72 A T + 0 0 5 -12,-0.2 17,-1.9 1,-0.2 2,-0.3 0.374 69.0 43.0-104.7 4.6 18.9 -13.1 42.9 52 73 A A E S+ D 0 67A 16 15,-0.2 -6,-2.0 -5,-0.1 -5,-0.8 -0.978 70.6 148.0-142.5 139.1 17.8 -9.4 43.2 53 74 A W E -CD 45 66A 1 13,-2.9 13,-3.0 -2,-0.3 2,-0.4 -0.936 40.2-105.7-158.0 172.9 19.1 -6.9 45.7 54 75 A R E - D 0 65A 86 -10,-2.5 -10,-0.5 -2,-0.3 -11,-0.4 -0.898 25.7-164.2-112.3 144.5 19.8 -3.3 46.3 55 76 A V E - D 0 64A 8 9,-2.4 9,-2.5 -2,-0.4 2,-0.4 -0.966 12.1-136.1-128.9 145.4 23.3 -1.7 46.4 56 77 A A E - D 0 63A 44 -2,-0.4 7,-0.2 7,-0.2 2,-0.1 -0.826 22.1-115.1-103.5 138.1 24.3 1.8 47.7 57 78 A G > - 0 0 4 5,-2.7 4,-1.7 -2,-0.4 55,-0.2 -0.449 19.6-133.6 -69.2 139.8 26.7 4.2 45.9 58 79 A K T 4 S+ 0 0 126 53,-3.1 -1,-0.1 1,-0.2 54,-0.1 0.877 100.5 31.4 -60.2 -43.4 30.0 4.9 47.8 59 80 A N T 4 S+ 0 0 135 52,-0.2 -1,-0.2 1,-0.1 51,-0.1 0.721 133.4 25.6 -94.0 -23.5 29.9 8.7 47.5 60 81 A T T 4 S- 0 0 66 51,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.601 85.9-134.7-115.3 -21.6 26.2 9.5 47.4 61 82 A G < + 0 0 48 -4,-1.7 2,-0.1 1,-0.3 -3,-0.1 0.478 53.3 148.1 74.7 1.8 24.5 6.6 49.3 62 83 A K - 0 0 117 -6,-0.1 -5,-2.7 1,-0.1 2,-0.3 -0.461 42.5-129.1 -69.1 142.2 21.9 6.4 46.6 63 84 A E E -D 56 0A 90 -7,-0.2 2,-0.3 -2,-0.1 -7,-0.2 -0.736 21.0-171.0 -95.7 141.6 20.5 2.9 46.0 64 85 A I E -D 55 0A 4 -9,-2.5 -9,-2.4 -2,-0.3 2,-0.5 -0.902 26.2-118.7-119.7 156.4 20.2 1.0 42.7 65 86 A G E +D 54 0A 1 -2,-0.3 36,-1.7 -11,-0.2 2,-0.3 -0.847 40.1 171.4 -96.1 124.2 18.3 -2.3 42.0 66 87 A V E +DE 53 100A 0 -13,-3.0 -13,-2.9 -2,-0.5 2,-0.3 -0.861 8.0 127.6-130.3 163.6 20.6 -5.1 40.7 67 88 A G E -DE 52 99A 0 32,-1.5 32,-3.2 -2,-0.3 -15,-0.2 -0.968 59.3 -46.0 171.5 176.4 20.3 -8.8 40.1 68 89 A L E - E 0 98A 7 -17,-1.9 30,-0.2 -2,-0.3 -17,-0.0 -0.431 67.5-105.9 -63.5 141.6 20.7 -11.6 37.7 69 90 A S > - 0 0 9 28,-2.3 4,-2.6 1,-0.1 5,-0.2 -0.280 24.8-112.3 -66.4 159.3 19.3 -10.8 34.2 70 91 A S H > S+ 0 0 64 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.889 120.8 50.8 -57.7 -41.5 16.0 -12.4 33.1 71 92 A D H > S+ 0 0 105 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.909 110.0 49.6 -62.4 -43.1 18.0 -14.4 30.5 72 93 A S H >4 S+ 0 0 1 1,-0.2 3,-1.2 2,-0.2 -2,-0.2 0.931 109.2 51.7 -62.9 -44.3 20.5 -15.6 33.1 73 94 A L H >< S+ 0 0 51 -4,-2.6 3,-1.7 1,-0.3 -1,-0.2 0.880 104.8 56.6 -59.2 -38.8 17.6 -16.7 35.5 74 95 A R H 3< S+ 0 0 176 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.656 100.4 60.3 -69.5 -13.5 16.0 -18.7 32.6 75 96 A R T << S+ 0 0 93 -3,-1.2 16,-0.4 -4,-0.6 -1,-0.3 0.415 76.9 125.7 -90.2 -1.0 19.3 -20.6 32.3 76 97 A S < - 0 0 37 -3,-1.7 14,-0.3 -4,-0.2 3,-0.1 -0.296 53.9-150.6 -58.9 142.1 19.2 -21.9 35.9 77 98 A D - 0 0 65 12,-2.5 2,-0.3 1,-0.3 13,-0.2 0.826 68.4 -44.3 -79.5 -35.1 19.4 -25.7 36.2 78 99 A S E -J 89 0D 30 11,-0.9 11,-2.9 2,-0.0 2,-0.5 -0.968 50.3-104.6-175.3 172.7 17.3 -25.8 39.3 79 100 A T E -J 88 0D 65 -2,-0.3 9,-0.3 9,-0.2 2,-0.2 -0.995 43.9-177.9-116.9 121.2 16.7 -24.1 42.7 80 101 A E E -J 87 0D 64 7,-2.8 7,-2.9 -2,-0.5 2,-0.5 -0.728 22.0-122.5-116.5 166.4 18.1 -26.3 45.5 81 102 A K E -J 86 0D 137 -2,-0.2 2,-0.7 5,-0.2 5,-0.2 -0.938 10.5-163.6-115.3 131.1 18.1 -25.9 49.3 82 103 A W E > S-J 85 0D 51 3,-2.4 3,-1.7 -2,-0.5 44,-0.0 -0.946 88.4 -30.1-110.7 103.6 21.2 -25.9 51.4 83 104 A N T 3 S- 0 0 153 -2,-0.7 -1,-0.2 1,-0.3 3,-0.1 0.930 129.6 -44.0 44.8 52.4 19.9 -26.6 54.9 84 105 A G T 3 S+ 0 0 54 1,-0.2 2,-0.5 -3,-0.0 -1,-0.3 0.291 112.8 119.6 86.6 -9.4 16.6 -24.9 54.0 85 106 A V E < - 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