==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN, ION TRANSPORT 17-JUN-09 3HWB . COMPND 2 MOLECULE: OUTER MEMBRANE PROTEIN F; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.BALASUNDARESAN,S.RAYCHAUDHURY,L.BLACHOWICZ,B.ROUX . 680 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32646.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 522 76.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 363 53.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 10 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.5 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 . 65 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 6 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 . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 4 1 3 1 3 3 4 5 6 6 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 1 A A 0 0 41 0, 0.0 12,-1.1 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 137.4 60.7 25.6 41.1 2 2 A E E +A 12 0A 101 10,-0.3 10,-0.3 1,-0.2 3,-0.1 -0.610 360.0 165.8 -73.0 113.9 57.6 26.4 43.2 3 3 A I E + 0 0 112 8,-1.8 2,-0.3 -2,-0.6 9,-0.2 0.509 59.1 42.0-110.0 -10.3 57.6 30.2 43.5 4 4 A Y E +A 11 0A 111 7,-1.6 7,-2.4 2,-0.0 -1,-0.2 -0.992 48.2 152.4-145.2 132.1 54.1 30.8 44.8 5 5 A N E +A 10 0A 87 -2,-0.3 5,-0.2 5,-0.2 -3,-0.0 -0.695 29.3 120.4-158.3 100.8 51.9 29.0 47.4 6 6 A K + 0 0 137 3,-1.9 2,-1.7 -2,-0.2 4,-0.0 0.224 66.6 10.4-128.3-114.1 49.2 31.1 49.2 7 7 A D S S- 0 0 153 1,-0.2 3,-0.1 42,-0.0 -1,-0.0 -0.558 127.5 -48.2 -85.4 79.6 45.4 30.9 49.6 8 8 A G S S+ 0 0 34 -2,-1.7 42,-1.9 1,-0.1 2,-0.3 0.790 118.2 97.6 66.1 31.8 44.7 27.4 48.0 9 9 A N E - B 0 49A 58 40,-0.3 -3,-1.9 2,-0.0 2,-0.4 -0.955 48.0-171.8-152.8 129.3 46.8 28.1 44.9 10 10 A K E -AB 5 48A 61 38,-2.8 38,-2.0 -2,-0.3 2,-0.4 -0.978 5.4-161.5-127.4 137.2 50.4 27.1 44.0 11 11 A V E -AB 4 47A 42 -7,-2.4 -8,-1.8 -2,-0.4 -7,-1.6 -0.961 0.7-167.3-118.7 130.4 52.5 28.1 41.0 12 12 A D E -AB 2 46A 38 34,-2.3 34,-2.2 -2,-0.4 2,-0.7 -0.835 4.2-166.9-120.9 91.7 55.6 26.2 39.9 13 13 A L E + B 0 45A 59 -12,-1.1 2,-0.3 -2,-0.6 32,-0.3 -0.698 20.3 176.6 -79.6 111.9 57.7 28.2 37.4 14 14 A Y E + B 0 44A 38 30,-2.1 30,-2.0 -2,-0.7 2,-0.3 -0.767 10.1 143.4-117.6 161.7 60.2 25.7 35.8 15 15 A G E - B 0 43A 5 325,-1.5 325,-2.3 -2,-0.3 2,-0.3 -0.953 23.9-144.5 178.6 167.5 62.9 25.8 33.1 16 16 A K E -CB 339 42A 60 26,-0.7 26,-2.8 -2,-0.3 2,-0.6 -0.998 10.9-142.7-150.9 147.3 66.3 24.6 32.0 17 17 A A E -CB 338 41A 52 321,-2.6 321,-2.1 -2,-0.3 2,-0.7 -0.956 21.5-167.0-110.6 114.3 69.4 25.8 30.2 18 18 A V E -CB 337 40A 2 22,-2.6 22,-1.6 -2,-0.6 2,-1.6 -0.861 10.9-162.3-110.0 100.9 70.9 23.0 28.1 19 19 A G E +C 336 0A 31 317,-3.0 317,-2.1 -2,-0.7 2,-0.4 -0.640 32.5 174.2 -78.2 87.4 74.4 23.6 26.7 20 20 A L E +C 335 0A 3 -2,-1.6 18,-2.5 315,-0.2 19,-0.4 -0.797 19.1 179.3-111.1 139.2 74.3 21.0 24.1 21 21 A H E -CD 334 37A 68 313,-1.8 313,-2.1 -2,-0.4 2,-0.4 -0.998 14.2-147.8-137.7 142.0 76.6 20.0 21.2 22 22 A Y E -CD 333 36A 19 14,-3.5 14,-3.0 -2,-0.3 2,-0.4 -0.880 6.5-159.6-111.8 139.1 76.5 17.3 18.6 23 23 A F E +C 332 0A 99 309,-3.4 309,-3.3 -2,-0.4 2,-0.3 -0.977 27.2 139.5-122.1 125.5 79.4 15.4 17.1 24 24 A S E -C 331 0A 28 -2,-0.4 2,-0.3 2,-0.2 307,-0.1 -0.960 53.3 -80.5-154.4 167.9 79.2 13.6 13.7 25 25 A K S > S- 0 0 145 305,-0.6 3,-0.6 -2,-0.3 5,-0.5 -0.578 97.1 -8.4 -76.3 136.1 81.1 12.8 10.4 26 26 A G T 3 S- 0 0 70 -2,-0.3 -2,-0.2 1,-0.2 0, 0.0 -0.547 124.8 -36.2 78.4-143.7 80.9 15.6 7.8 27 27 A N T 3 S- 0 0 141 -2,-0.2 8,-0.3 7,-0.0 -1,-0.2 -0.118 91.7 -90.5-104.6 34.0 78.6 18.5 8.5 28 28 A G S < S+ 0 0 18 -3,-0.6 3,-0.5 6,-0.2 -2,-0.1 0.741 94.0 129.8 63.0 25.0 76.0 16.3 10.1 29 29 A E S S+ 0 0 175 -4,-0.3 -3,-0.1 1,-0.2 -1,-0.1 0.825 77.4 23.5 -77.9 -35.2 74.5 15.9 6.7 30 30 A N S S+ 0 0 72 -5,-0.5 299,-2.1 297,-0.1 298,-0.9 -0.317 102.4 100.9-131.2 49.7 74.2 12.1 6.7 31 31 A S B S-t 329 0B 15 -3,-0.5 296,-0.4 296,-0.2 299,-0.2 -0.660 81.4 -95.7-125.9-178.4 74.1 11.2 10.4 32 32 A Y S S- 0 0 41 297,-1.2 295,-0.1 -2,-0.2 298,-0.1 0.853 114.5 -5.3 -69.2 -38.3 71.6 10.2 13.1 33 33 A G S S- 0 0 27 1,-0.3 -1,-0.1 -10,-0.1 2,-0.1 0.370 101.2-114.4-138.2 0.2 71.1 13.7 14.6 34 34 A G - 0 0 11 -11,-0.1 2,-0.3 -9,-0.1 -1,-0.3 -0.262 31.0 -92.9 88.3 179.7 73.5 16.0 12.9 35 35 A N + 0 0 54 -8,-0.3 2,-0.3 -2,-0.1 -12,-0.2 -0.953 69.8 45.5-135.1 158.2 76.5 17.8 14.3 36 36 A G E S-D 22 0A 19 -14,-3.0 -14,-3.5 -2,-0.3 2,-0.3 -0.830 93.4 -4.4 117.0-155.1 77.3 21.3 15.7 37 37 A D E +D 21 0A 75 -2,-0.3 -16,-0.2 -16,-0.2 -2,-0.1 -0.607 47.5 165.0 -81.1 132.5 75.5 23.4 18.3 38 38 A M + 0 0 62 -18,-2.5 -17,-0.2 -2,-0.3 2,-0.1 -0.075 20.4 155.5-134.7 32.2 72.2 22.2 19.7 39 39 A T + 0 0 42 -19,-0.4 28,-2.6 -20,-0.1 29,-1.3 -0.407 13.7 169.6 -66.0 131.5 71.9 24.5 22.7 40 40 A Y E -BE 18 66A 27 -22,-1.6 -22,-2.6 26,-0.3 2,-0.3 -0.991 21.2-151.3-144.2 151.9 68.3 25.2 23.9 41 41 A A E -BE 17 65A 40 24,-3.0 24,-3.1 -2,-0.3 2,-0.3 -0.931 10.9-149.4-123.8 148.8 66.5 26.7 26.9 42 42 A R E +BE 16 64A 34 -26,-2.8 -26,-0.7 -2,-0.3 2,-0.3 -0.861 13.4 177.4-119.3 151.3 63.1 26.0 28.4 43 43 A L E +BE 15 63A 67 20,-1.6 20,-2.1 -2,-0.3 2,-0.3 -0.965 21.1 117.1-152.4 135.9 60.5 28.0 30.2 44 44 A G E -BE 14 62A 0 -30,-2.0 -30,-2.1 -2,-0.3 2,-0.3 -0.982 41.0-114.5-178.6 177.1 57.1 27.2 31.6 45 45 A F E -BE 13 61A 81 16,-1.6 16,-1.8 -2,-0.3 2,-0.5 -0.983 4.6-153.7-135.9 145.3 54.7 26.9 34.6 46 46 A K E -BE 12 60A 103 -34,-2.2 -34,-2.3 -2,-0.3 2,-0.3 -0.977 24.4-171.0-115.1 117.5 52.9 24.2 36.5 47 47 A G E +BE 11 59A 20 12,-1.9 12,-1.3 -2,-0.5 2,-0.3 -0.833 12.8 174.5-113.2 147.7 49.7 25.5 38.3 48 48 A E E -BE 10 58A 82 -38,-2.0 -38,-2.8 -2,-0.3 2,-0.5 -0.942 8.0-167.2-151.4 127.2 47.4 23.8 40.8 49 49 A T E -BE 9 57A 54 8,-3.2 8,-2.2 -2,-0.3 2,-1.2 -0.969 20.4-137.3-122.0 126.1 44.5 25.3 42.7 50 50 A Q E + E 0 56A 105 -42,-1.9 6,-0.2 -2,-0.5 3,-0.1 -0.677 27.5 174.1 -79.1 95.4 42.6 23.7 45.7 51 51 A I - 0 0 88 4,-1.3 -1,-0.2 -2,-1.2 5,-0.2 0.967 62.5 -32.1 -68.5 -56.0 39.0 24.5 44.8 52 52 A N S S- 0 0 72 3,-1.5 3,-0.1 -44,-0.0 -1,-0.0 -0.479 88.8 -55.6-138.6-147.1 37.5 22.5 47.6 53 53 A S S S+ 0 0 111 1,-0.2 3,-0.0 -2,-0.2 38,-0.0 0.860 130.5 7.7 -71.4 -38.3 38.1 19.4 49.7 54 54 A D S S+ 0 0 68 1,-0.0 2,-0.4 36,-0.0 37,-0.3 -0.014 110.3 86.9-140.2 31.0 38.3 16.9 46.8 55 55 A L - 0 0 39 35,-0.2 -3,-1.5 -3,-0.1 -4,-1.3 -0.990 49.1-176.7-135.4 127.3 38.4 19.0 43.6 56 56 A T E -EF 50 89A 20 33,-2.8 33,-2.7 -2,-0.4 2,-0.4 -0.971 12.1-154.6-126.9 137.7 41.5 20.5 42.0 57 57 A G E -EF 49 88A 7 -8,-2.2 -8,-3.2 -2,-0.4 2,-0.3 -0.877 19.3-178.1-107.2 143.0 42.0 22.8 39.0 58 58 A Y E -EF 48 87A 50 29,-2.9 29,-2.2 -2,-0.4 2,-0.3 -0.920 15.7-174.1-138.9 163.3 45.3 22.9 37.0 59 59 A G E -EF 47 86A 19 -12,-1.3 -12,-1.9 -2,-0.3 2,-0.4 -0.881 7.3-173.6-161.3 126.6 47.0 24.6 34.1 60 60 A Q E +EF 46 85A 46 25,-2.8 25,-2.6 -2,-0.3 2,-0.3 -0.973 4.5 179.9-130.1 137.5 50.4 23.9 32.5 61 61 A W E -EF 45 84A 69 -16,-1.8 -16,-1.6 -2,-0.4 2,-0.3 -0.996 3.4-178.7-133.8 140.4 52.4 25.7 29.7 62 62 A E E -EF 44 83A 21 21,-2.9 20,-1.8 -2,-0.3 21,-1.6 -0.999 2.5-172.4-141.2 137.2 55.8 24.8 28.3 63 63 A Y E -EF 43 81A 43 -20,-2.1 -20,-1.6 -2,-0.3 2,-0.6 -0.969 16.9-140.3-131.2 145.2 57.9 26.6 25.6 64 64 A N E -EF 42 80A 4 16,-2.9 16,-1.1 -2,-0.3 2,-0.4 -0.920 17.4-170.9-107.2 113.1 61.1 25.7 23.8 65 65 A F E -E 41 0A 80 -24,-3.1 -24,-3.0 -2,-0.6 2,-0.4 -0.855 15.7-139.1 -99.4 137.5 63.6 28.5 23.2 66 66 A Q E +E 40 0A 47 -2,-0.4 -26,-0.3 -26,-0.2 3,-0.2 -0.828 21.5 179.9-102.4 134.5 66.6 27.8 20.9 67 67 A G S S+ 0 0 44 -28,-2.6 -27,-0.2 -2,-0.4 -1,-0.1 0.519 74.9 74.6-104.8 -11.3 70.1 29.0 21.7 68 68 A N S S+ 0 0 51 -29,-1.3 2,-0.2 -31,-0.1 -1,-0.1 0.320 84.7 90.7 -83.4 7.7 71.8 27.6 18.6 69 69 A N S S- 0 0 44 -30,-0.2 6,-0.1 -3,-0.2 2,-0.0 -0.693 75.7-115.5-105.6 157.7 70.2 30.3 16.5 70 70 A S - 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