==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 23-JAN-09 3FYX . COMPND 2 MOLECULE: OUTER MEMBRANE PROTEIN F; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K12; . AUTHOR S.REITZ,M.CEBI,U.KOERT,L.O.ESSEN . 340 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16671.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 268 78.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 183 53.8 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 . 5 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 . 38 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 3 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 RESIDUES PER ALPHA HELIX . 2 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 2 1 0 1 1 4 1 3 3 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 1 A A 0 0 40 0, 0.0 12,-2.6 0, 0.0 2,-0.8 0.000 360.0 360.0 360.0 133.1 -67.7 30.8 -11.5 2 2 A E E +A 12 0A 111 10,-0.3 10,-0.2 1,-0.2 3,-0.1 -0.612 360.0 165.0 -69.4 109.1 -64.9 32.3 -13.6 3 3 A I E + 0 0 104 8,-1.5 2,-0.3 -2,-0.8 -1,-0.2 0.384 58.8 42.3-112.9 0.0 -65.8 36.0 -13.7 4 4 A Y E +A 11 0A 115 7,-1.3 7,-2.3 2,-0.0 -1,-0.2 -0.953 49.0 151.7-149.2 133.4 -62.5 37.4 -14.9 5 5 A N E +A 10 0A 77 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.617 24.4 126.1-158.7 97.6 -60.0 36.4 -17.6 6 6 A K E > S+A 9 0A 140 3,-1.3 3,-1.8 -2,-0.2 -2,-0.0 -0.985 70.0 8.6-146.9 149.9 -57.8 39.0 -19.4 7 7 A D T 3 S- 0 0 163 -2,-0.3 43,-0.1 1,-0.3 3,-0.1 0.799 127.9 -58.2 50.5 37.0 -54.1 39.4 -20.0 8 8 A G T 3 S+ 0 0 36 1,-0.2 42,-1.0 41,-0.1 2,-0.6 0.311 110.7 114.6 82.2 -9.2 -53.3 36.0 -18.5 9 9 A N E < -AB 6 49A 61 -3,-1.8 -3,-1.3 40,-0.2 2,-0.5 -0.848 44.4-171.1 -90.1 119.6 -54.9 36.6 -15.1 10 10 A K E -AB 5 48A 82 38,-3.2 38,-2.0 -2,-0.6 2,-0.5 -0.967 1.4-170.3-116.9 132.1 -57.9 34.4 -14.4 11 11 A V E -AB 4 47A 38 -7,-2.3 -8,-1.5 -2,-0.5 -7,-1.3 -0.963 6.0-160.6-118.6 122.2 -60.1 35.0 -11.3 12 12 A D E -AB 2 46A 40 34,-3.4 34,-1.7 -2,-0.5 2,-0.6 -0.920 1.7-166.8-106.1 124.8 -62.9 32.7 -10.1 13 13 A L E + B 0 45A 60 -12,-2.6 2,-0.3 -2,-0.6 32,-0.2 -0.946 21.6 170.0-106.8 115.6 -65.5 34.0 -7.8 14 14 A Y E + B 0 44A 23 30,-2.4 30,-2.2 -2,-0.6 2,-0.3 -0.926 7.4 145.8-131.9 149.9 -67.5 31.2 -6.2 15 15 A G E - B 0 43A 2 325,-1.4 325,-2.7 -2,-0.3 2,-0.3 -0.902 21.0-147.1-160.3-175.3 -70.1 30.7 -3.5 16 16 A C E -CB 339 42A 30 26,-1.8 26,-1.5 -2,-0.3 2,-0.5 -0.983 13.5-141.2-162.4 160.8 -73.1 28.8 -2.4 17 17 A A E -CB 338 41A 54 321,-2.5 321,-2.4 -2,-0.3 2,-0.6 -0.967 20.9-176.1-127.8 110.2 -76.4 29.0 -0.4 18 18 A V E -CB 337 40A 4 22,-2.6 22,-1.3 -2,-0.5 2,-0.4 -0.734 7.9-166.1-115.2 78.2 -77.0 25.8 1.5 19 19 A G E +C 336 0A 28 317,-0.9 317,-2.3 -2,-0.6 2,-0.3 -0.547 29.1 173.1 -57.8 118.6 -80.4 26.0 3.2 20 20 A L E -C 335 0A 6 -2,-0.4 18,-2.7 315,-0.2 19,-0.6 -0.988 24.9-170.1-144.4 140.6 -80.0 23.1 5.6 21 21 A H E -CD 334 37A 68 313,-3.2 313,-2.5 -2,-0.3 2,-0.4 -0.965 11.0-149.1-131.6 150.0 -81.8 21.5 8.5 22 22 A Y E -CD 333 36A 18 14,-2.3 14,-2.2 -2,-0.3 2,-0.5 -0.953 11.3-150.2-116.7 141.6 -80.8 18.8 11.0 23 23 A F E +C 332 0A 105 309,-5.0 309,-3.1 -2,-0.4 2,-0.3 -0.936 31.4 137.2-123.2 117.1 -83.3 16.4 12.5 24 24 A S - 0 0 18 -2,-0.5 2,-0.1 307,-0.2 307,-0.1 -0.973 46.8-105.8-148.1 155.1 -82.9 14.8 16.0 25 25 A K S > S+ 0 0 124 305,-0.3 3,-0.6 -2,-0.3 5,-0.3 -0.434 83.4 7.2 -84.4 161.6 -85.1 14.1 19.0 26 26 A G T 3 S- 0 0 70 1,-0.2 -2,-0.2 2,-0.1 0, 0.0 -0.288 128.9 -39.5 62.7-155.5 -85.1 16.0 22.3 27 27 A N T 3 S- 0 0 133 1,-0.1 -1,-0.2 4,-0.0 8,-0.2 0.801 76.3-126.7 -61.7 -26.2 -82.9 19.1 22.2 28 28 A G S X S+ 0 0 9 -3,-0.6 3,-0.6 6,-0.1 6,-0.3 0.623 76.2 130.5 75.4 16.1 -80.5 17.0 20.2 29 29 A E T 3 S+ 0 0 160 1,-0.2 -3,-0.1 5,-0.1 6,-0.0 0.724 82.4 38.3 -63.8 -20.4 -78.0 18.0 22.9 30 30 A N T 3 S+ 0 0 67 -5,-0.3 298,-2.3 297,-0.1 299,-2.0 0.251 99.1 96.8-117.5 6.9 -77.4 14.3 22.9 31 31 A S B < S-u 329 0B 8 -3,-0.6 296,-0.2 296,-0.3 299,-0.2 -0.393 83.9-105.9 -87.3 174.2 -77.7 13.5 19.1 32 32 A Y S S+ 0 0 53 297,-1.2 295,-0.2 282,-0.2 298,-0.1 0.974 108.1 14.0 -64.2 -56.7 -74.8 13.2 16.7 33 33 A G S S- 0 0 27 1,-0.4 2,-0.2 -10,-0.1 -1,-0.1 0.417 104.5-108.2-108.1 0.9 -75.1 16.4 14.8 34 34 A G - 0 0 23 -6,-0.3 -1,-0.4 -11,-0.1 2,-0.3 -0.536 34.7 -91.1 97.1-171.8 -77.4 18.7 16.7 35 35 A N + 0 0 74 -8,-0.2 2,-0.3 -2,-0.2 -12,-0.2 -0.985 69.1 19.3-151.3 133.6 -81.0 19.8 15.8 36 36 A G E S+D 22 0A 15 -14,-2.2 -14,-2.3 -2,-0.3 2,-0.1 -0.769 95.5 7.8 115.0-157.5 -82.7 22.7 14.0 37 37 A D E +D 21 0A 81 -2,-0.3 -16,-0.2 -16,-0.2 -2,-0.1 -0.357 49.5 164.2 -67.3 139.2 -81.6 25.3 11.4 38 38 A M + 0 0 54 -18,-2.7 -17,-0.2 29,-0.1 -1,-0.1 0.094 19.2 148.6-144.7 20.3 -78.1 24.8 9.9 39 39 A T + 0 0 36 -19,-0.6 28,-2.7 28,-0.1 29,-0.5 -0.310 18.3 170.6 -64.1 140.0 -78.1 27.0 6.8 40 40 A Y E -BE 18 66A 35 -22,-1.3 -22,-2.6 26,-0.3 2,-0.3 -0.976 22.6-143.5-149.4 161.5 -74.9 28.6 5.7 41 41 A A E -BE 17 65A 36 24,-3.9 24,-3.8 -2,-0.3 2,-0.3 -0.924 10.3-162.5-127.9 151.9 -73.3 30.5 2.8 42 42 A R E +BE 16 64A 55 -26,-1.5 -26,-1.8 -2,-0.3 2,-0.3 -0.942 10.0 172.9-131.5 151.7 -69.8 30.4 1.3 43 43 A L E +BE 15 63A 62 20,-1.4 20,-2.3 -2,-0.3 2,-0.3 -0.950 15.7 133.8-157.9 140.5 -68.0 32.9 -0.8 44 44 A G E -BE 14 62A 0 -30,-2.2 -30,-2.4 -2,-0.3 2,-0.4 -0.986 39.0-112.4-172.3 173.5 -64.4 33.0 -2.0 45 45 A F E -BE 13 61A 91 16,-2.1 16,-1.6 -2,-0.3 2,-0.7 -0.988 6.7-166.2-130.2 129.1 -61.9 33.4 -4.8 46 46 A K E -BE 12 60A 101 -34,-1.7 -34,-3.4 -2,-0.4 2,-0.3 -0.970 27.2-176.6 -98.0 112.0 -59.6 31.1 -6.6 47 47 A G E -BE 11 59A 18 12,-3.0 12,-1.6 -2,-0.7 2,-0.3 -0.791 7.3-175.7-108.0 157.6 -57.3 33.4 -8.5 48 48 A E E -BE 10 58A 59 -38,-2.0 -38,-3.2 -2,-0.3 2,-0.4 -0.954 3.8-173.1-156.8 131.6 -54.5 32.4 -10.9 49 49 A T E -BE 9 57A 51 8,-4.1 8,-3.2 -2,-0.3 2,-0.7 -0.986 20.4-137.6-131.7 142.4 -51.8 34.3 -12.9 50 50 A Q E + E 0 56A 120 -42,-1.0 6,-0.2 -2,-0.4 3,-0.1 -0.866 17.4 178.4 -96.0 115.1 -49.3 33.3 -15.5 51 51 A I S S- 0 0 85 4,-1.8 2,-0.2 -2,-0.7 5,-0.2 0.834 73.9 -37.5 -83.3 -40.5 -45.9 35.1 -14.9 52 52 A N S S- 0 0 82 3,-1.5 -1,-0.2 -3,-0.1 -3,-0.0 -0.805 77.7 -74.2-151.7-156.5 -44.4 33.3 -17.9 53 53 A S S S+ 0 0 116 -2,-0.2 -1,-0.1 1,-0.2 38,-0.1 0.970 132.4 42.0 -68.7 -55.2 -44.7 29.9 -19.6 54 54 A D S S+ 0 0 91 -3,-0.1 37,-3.8 36,-0.1 2,-0.4 0.605 113.3 66.1 -68.8 -8.0 -42.7 28.1 -16.9 55 55 A L E + F 0 90A 37 35,-0.2 -4,-1.8 36,-0.1 -3,-1.5 -0.948 50.1 177.5-132.9 132.4 -44.4 30.1 -14.0 56 56 A T E -EF 50 89A 27 33,-2.0 33,-3.8 -2,-0.4 2,-0.4 -0.982 10.3-161.8-130.0 121.7 -47.9 30.3 -12.4 57 57 A G E +EF 49 88A 9 -8,-3.2 -8,-4.1 -2,-0.4 2,-0.3 -0.864 18.1 174.4-102.8 135.8 -48.9 32.4 -9.4 58 58 A Y E -EF 48 87A 42 29,-2.0 29,-2.0 -2,-0.4 2,-0.3 -0.871 14.3-176.2-135.4 166.6 -52.2 31.7 -7.4 59 59 A G E -EF 47 86A 18 -12,-1.6 -12,-3.0 -2,-0.3 2,-0.3 -0.969 5.3-166.5-160.8 147.1 -54.2 32.7 -4.3 60 60 A Q E +EF 46 85A 31 25,-2.1 25,-2.6 -2,-0.3 2,-0.3 -0.999 9.3 177.4-141.4 143.9 -57.3 31.6 -2.6 61 61 A W E +EF 45 84A 66 -16,-1.6 -16,-2.1 -2,-0.3 2,-0.4 -0.952 7.9 179.5-141.8 126.7 -59.7 32.9 0.1 62 62 A E E -EF 44 83A 25 21,-1.9 20,-2.5 -2,-0.3 21,-1.3 -0.974 8.1-163.0-127.4 141.8 -62.9 31.1 1.2 63 63 A Y E -EF 43 81A 48 -20,-2.3 -20,-1.4 -2,-0.4 2,-0.6 -0.989 14.1-141.6-136.7 134.0 -65.3 32.2 3.8 64 64 A N E -EF 42 80A 2 16,-2.7 16,-1.5 -2,-0.4 2,-0.5 -0.797 17.6-172.6 -90.1 117.7 -68.0 30.6 5.9 65 65 A F E -E 41 0A 79 -24,-3.8 -24,-3.9 -2,-0.6 2,-0.4 -0.959 18.4-137.3-108.8 129.2 -71.1 32.8 6.5 66 66 A Q E -E 40 0A 44 -2,-0.5 3,-0.3 -26,-0.2 -26,-0.3 -0.741 15.8-170.8 -92.4 134.2 -73.7 31.4 8.9 67 67 A G S S+ 0 0 45 -28,-2.7 -27,-0.2 -2,-0.4 -28,-0.1 0.402 72.9 74.5 -99.6 0.0 -77.4 31.6 8.0 68 68 A N S S+ 0 0 53 -29,-0.5 2,-0.3 9,-0.2 -1,-0.2 0.284 72.2 99.6-102.7 11.5 -78.9 30.4 11.3 69 69 A N S S- 0 0 39 -3,-0.3 2,-0.1 6,-0.2 6,-0.1 -0.733 73.9-117.7 -94.8 144.6 -78.2 33.5 13.5 70 70 A S - 0 0 66 -2,-0.3 -2,-0.1 1,-0.1 -1,-0.0 -0.484 36.5-107.3 -67.9 153.4 -80.8 36.2 14.4 71 71 A E S S+ 0 0 197 -2,-0.1 -1,-0.1 3,-0.1 -2,-0.0 0.326 100.1 75.8 -70.2 13.0 -79.7 39.6 13.1 72 72 A G S S- 0 0 56 3,-0.0 -1,-0.1 0, 0.0 -3,-0.0 0.819 112.2 -41.4 -88.3-105.0 -78.9 40.7 16.6 73 73 A A S > S+ 0 0 99 2,-0.1 3,-0.8 1,-0.1 -2,-0.1 0.757 132.7 57.6-104.5 -39.6 -75.9 39.8 18.7 74 74 A D G > S+ 0 0 71 1,-0.2 3,-1.7 2,-0.1 -1,-0.1 0.444 80.0 110.3 -68.2 -1.0 -75.6 36.1 17.9 75 75 A A G 3 S+ 0 0 33 1,-0.2 -1,-0.2 -6,-0.1 -6,-0.2 0.653 72.8 46.8 -46.9 -27.8 -75.3 37.5 14.3 76 76 A Q G X S+ 0 0 128 -3,-0.8 3,-1.5 -11,-0.1 -1,-0.2 0.471 78.1 136.2-100.0 -4.1 -71.6 36.6 13.9 77 77 A T T < S+ 0 0 87 -3,-1.7 -9,-0.2 1,-0.3 -11,-0.1 -0.208 73.6 2.5 -68.7 130.2 -71.4 33.0 15.1 78 78 A G T 3 S+ 0 0 29 1,-0.3 2,-0.4 -13,-0.1 -1,-0.3 0.622 89.4 143.0 74.7 13.6 -69.5 30.4 13.3 79 79 A N < + 0 0 37 -3,-1.5 -1,-0.3 -14,-0.1 2,-0.3 -0.714 22.4 144.9 -82.4 139.0 -68.2 33.0 10.7 80 80 A K E -F 64 0A 97 -16,-1.5 -16,-2.7 -2,-0.4 2,-0.6 -0.991 56.1-105.8-168.9 151.3 -64.7 32.4 9.6 81 81 A T E -F 63 0A 53 -2,-0.3 -18,-0.3 -18,-0.2 3,-0.1 -0.854 33.1-175.6 -80.2 120.2 -62.1 32.5 6.9 82 82 A R E + 0 0 28 -20,-2.5 2,-0.3 -2,-0.6 -19,-0.2 0.873 67.7 14.6 -88.9 -39.9 -61.7 28.8 6.0 83 83 A L E +F 62 0A 8 -21,-1.3 -21,-1.9 18,-0.0 -1,-0.3 -0.971 57.8 160.3-131.0 146.2 -58.8 29.3 3.5 84 84 A A E +FG 61 100A 37 16,-1.8 16,-2.7 -2,-0.3 2,-0.3 -0.589 28.9 128.1-163.7 101.7 -56.5 32.2 2.7 85 85 A F E -FG 60 99A 31 -25,-2.6 -25,-2.1 14,-0.2 2,-0.3 -0.947 33.7-154.2-151.2 172.4 -53.2 31.5 0.9 86 86 A A E +FG 59 98A 57 12,-1.7 12,-1.6 -2,-0.3 2,-0.3 -0.995 20.0 158.0-152.7 150.0 -50.8 32.2 -2.0 87 87 A G E -FG 58 97A 11 -29,-2.0 -29,-2.0 -2,-0.3 2,-0.5 -0.967 33.3-110.7-162.8 174.2 -48.1 30.4 -3.9 88 88 A L E -FG 57 96A 93 8,-1.7 8,-1.7 -2,-0.3 2,-0.9 -0.971 16.0-155.4-125.7 119.5 -45.9 29.9 -7.0 89 89 A K E -FG 56 95A 84 -33,-3.8 -33,-2.0 -2,-0.5 2,-0.9 -0.802 13.8-161.2 -89.8 100.5 -46.1 26.9 -9.4 90 90 A Y E > -FG 55 94A 111 4,-2.9 4,-2.6 -2,-0.9 3,-0.3 -0.785 34.4-102.3 -90.3 111.2 -42.7 26.5 -11.0 91 91 A A T 4 S- 0 0 53 -37,-3.8 -1,-0.1 -2,-0.9 -36,-0.1 0.278 94.3 -23.0 21.9 -99.7 -43.0 24.5 -14.3 92 92 A D T 4 S+ 0 0 102 53,-0.1 -1,-0.3 1,-0.0 53,-0.2 0.522 128.3 76.2-109.8 -14.0 -41.9 21.0 -13.3 93 93 A V T 4 S- 0 0 76 -3,-0.3 2,-0.3 1,-0.2 -2,-0.2 0.869 100.9-105.4 -71.7 -37.6 -39.8 21.9 -10.3 94 94 A G E < -G 90 0A 14 -4,-2.6 -4,-2.9 47,-0.1 2,-0.3 -0.992 24.3 -76.6 152.6-154.3 -42.8 22.4 -8.0 95 95 A S E -GH 89 140A 20 45,-1.0 45,-2.3 -2,-0.3 2,-0.5 -0.931 25.7-167.6-157.8 119.4 -45.2 24.7 -6.0 96 96 A F E +GH 88 139A 105 -8,-1.7 -8,-1.7 -2,-0.3 2,-0.4 -0.950 10.8 171.6-120.5 128.6 -44.9 26.6 -2.8 97 97 A D E -GH 87 138A 6 41,-2.3 41,-2.1 -2,-0.5 2,-0.3 -0.990 11.4-169.0-138.8 132.3 -47.7 28.2 -0.7 98 98 A Y E +G 86 0A 137 -12,-1.6 -12,-1.7 -2,-0.4 2,-0.3 -0.848 44.5 69.3-110.5 150.9 -48.0 29.9 2.7 99 99 A G E S-G 85 0A 13 37,-0.3 37,-2.2 -2,-0.3 36,-1.5 -0.989 91.8 -28.2 150.5-154.7 -51.2 30.9 4.5 100 100 A R E S+GI 84 134A 44 -16,-2.7 -16,-1.8 -2,-0.3 2,-0.3 -0.905 82.4 136.7 -92.9 124.4 -54.1 29.2 6.2 101 101 A N E - 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