==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN/ANTIBIOTIC 30-JUL-12 4GCQ . COMPND 2 MOLECULE: OUTER MEMBRANE PROTEIN F; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR B.K.ZIERVOGEL,B.ROUX . 666 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31512.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 518 77.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 365 54.8 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 . 8 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 . 2 0.3 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 . 54 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 . 4 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 2 0 2 0 2 4 6 1 10 5 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 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 8 A G 0 0 97 0, 0.0 42,-2.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 68.4 12.0 -8.5 14.2 2 9 A N E -A 42 0A 99 40,-0.2 2,-0.6 2,-0.0 40,-0.2 -0.961 360.0-164.8-111.7 126.7 10.9 -7.1 10.8 3 10 A K E +A 41 0A 148 38,-2.7 38,-2.5 -2,-0.4 2,-0.5 -0.943 12.4 173.9-108.4 115.2 10.5 -3.3 10.1 4 11 A V E -A 40 0A 79 -2,-0.6 2,-0.6 36,-0.2 36,-0.2 -0.979 10.4-167.1-113.4 125.4 8.5 -2.4 6.9 5 12 A D E -A 39 0A 117 34,-2.9 34,-1.9 -2,-0.5 2,-0.4 -0.957 8.8-155.0-108.3 123.2 7.6 1.2 6.1 6 13 A L E +A 38 0A 103 -2,-0.6 2,-0.3 32,-0.2 32,-0.2 -0.821 28.3 179.3 -81.3 134.3 5.1 1.8 3.3 7 14 A Y E +A 37 0A 48 30,-2.9 30,-2.2 -2,-0.4 2,-0.3 -0.914 11.7 143.9-140.6 164.6 5.9 5.3 2.0 8 15 A G E -A 36 0A 5 325,-2.0 325,-2.6 -2,-0.3 2,-0.3 -0.974 23.2-146.5 175.5 169.5 4.5 7.7 -0.6 9 16 A K E -AB 35 332A 65 26,-1.9 26,-2.2 -2,-0.3 2,-0.5 -0.982 11.3-140.7-157.9 153.9 3.8 11.2 -1.7 10 17 A A E -AB 34 331A 56 321,-3.2 321,-2.4 -2,-0.3 2,-0.5 -0.996 22.1-158.8-120.0 125.8 1.3 13.2 -3.8 11 18 A V E -AB 33 330A 2 22,-2.6 22,-1.7 -2,-0.5 2,-0.7 -0.921 11.1-161.7-122.7 110.6 2.8 16.0 -5.8 12 19 A G E + B 0 329A 30 317,-2.6 317,-2.9 -2,-0.5 2,-0.4 -0.726 32.5 171.0 -84.5 107.9 0.7 18.9 -7.1 13 20 A L E - B 0 328A 6 -2,-0.7 18,-2.5 315,-0.2 19,-0.6 -0.977 22.0-179.4-139.7 129.0 3.0 20.2 -9.8 14 21 A H E -CB 30 327A 73 313,-3.5 313,-2.4 -2,-0.4 2,-0.4 -0.981 13.2-152.2-126.8 133.5 2.7 22.8 -12.6 15 22 A Y E -CB 29 326A 19 14,-3.0 14,-2.7 -2,-0.4 2,-0.6 -0.887 7.8-159.8 -98.6 135.1 5.3 23.9 -15.3 16 23 A F E + B 0 325A 105 309,-3.9 309,-2.3 -2,-0.4 2,-0.3 -0.950 22.9 155.6-112.1 117.0 5.3 27.4 -16.8 17 24 A S - 0 0 14 -2,-0.6 307,-0.1 307,-0.2 5,-0.1 -0.992 55.3 -82.1-134.3 150.3 7.0 27.9 -20.0 18 25 A K S S- 0 0 153 305,-0.4 3,-0.5 -2,-0.3 5,-0.3 -0.336 82.2 -63.7 -52.4 122.8 6.5 30.5 -22.7 19 26 A G S S+ 0 0 65 1,-0.2 -2,-0.2 2,-0.1 -1,-0.1 -0.022 123.4 31.8 41.4 -88.0 3.6 29.2 -24.8 20 27 A N S S- 0 0 128 -2,-0.2 -1,-0.2 1,-0.2 8,-0.1 0.665 71.3-158.4 -38.2 -70.4 4.5 25.9 -26.5 21 28 A G > + 0 0 9 -3,-0.5 3,-1.3 6,-0.1 6,-0.4 -0.583 64.0 101.7-105.4 54.5 6.4 24.8 -24.4 22 29 A E T 3 S+ 0 0 128 1,-0.3 298,-0.1 5,-0.1 -3,-0.1 0.582 84.2 50.3 -73.0 -16.2 8.2 22.5 -26.9 23 30 A N T 3 S+ 0 0 58 -5,-0.3 299,-2.0 297,-0.1 298,-1.5 0.017 99.7 91.1-111.7 28.0 11.2 24.7 -27.3 24 31 A S B < S-r 322 0B 13 -3,-1.3 296,-0.4 296,-0.3 299,-0.2 -0.559 82.7-108.8-111.5 179.3 11.8 25.1 -23.5 25 32 A Y S S+ 0 0 57 297,-1.3 299,-0.1 298,-0.2 295,-0.1 0.956 109.3 15.2 -69.5 -51.3 13.8 23.4 -20.8 26 33 A G S S- 0 0 19 1,-0.3 2,-0.1 297,-0.2 -1,-0.1 0.527 100.4-121.2-109.3 -9.5 11.0 21.7 -18.7 27 34 A G - 0 0 24 -6,-0.4 2,-0.3 -11,-0.1 -1,-0.3 -0.391 32.3 -86.8 88.6-172.7 7.9 21.8 -21.0 28 35 A N S S+ 0 0 74 -2,-0.1 2,-0.2 -12,-0.1 -12,-0.2 -0.985 71.0 24.5-137.6 139.0 4.6 23.4 -20.1 29 36 A G E S-C 15 0A 15 -14,-2.7 -14,-3.0 -2,-0.3 2,-0.2 -0.641 92.5 -1.3 121.1-174.4 1.5 22.3 -18.2 30 37 A D E +C 14 0A 78 -16,-0.2 -16,-0.2 -2,-0.2 -2,-0.1 -0.448 48.3 165.1 -56.2 127.5 0.2 19.9 -15.6 31 38 A M + 0 0 57 -18,-2.5 -17,-0.2 -2,-0.2 30,-0.1 0.042 20.2 149.6-138.0 19.1 3.1 17.6 -14.3 32 39 A T + 0 0 44 -19,-0.6 28,-2.7 28,-0.2 29,-0.4 -0.196 14.9 158.0 -49.1 140.0 1.3 16.2 -11.1 33 40 A Y E -AD 11 59A 25 -22,-1.7 -22,-2.6 26,-0.3 2,-0.3 -0.931 27.0-142.5-159.3 168.1 2.4 12.7 -10.2 34 41 A A E -AD 10 58A 32 24,-2.8 24,-2.7 -2,-0.3 2,-0.4 -0.943 8.6-150.0-137.8 157.7 2.4 10.4 -7.1 35 42 A R E -AD 9 57A 43 -26,-2.2 -26,-1.9 -2,-0.3 2,-0.3 -0.975 11.9-179.0-129.2 148.1 4.9 7.9 -5.7 36 43 A L E +AD 8 56A 61 20,-1.9 20,-3.6 -2,-0.4 2,-0.3 -0.982 15.3 137.9-141.9 150.5 4.4 4.7 -3.7 37 44 A G E -AD 7 55A 0 -30,-2.2 -30,-2.9 -2,-0.3 2,-0.4 -0.993 34.9-124.0-174.5 176.0 6.8 2.2 -2.3 38 45 A F E -AD 6 54A 90 16,-2.8 16,-2.7 -2,-0.3 2,-0.4 -0.969 10.8-168.6-133.7 150.8 7.9 -0.0 0.5 39 46 A K E -AD 5 53A 121 -34,-1.9 -34,-2.9 -2,-0.4 2,-0.4 -0.986 16.9-179.3-141.1 129.9 11.2 -0.4 2.2 40 47 A G E -AD 4 52A 12 12,-2.9 12,-2.1 -2,-0.4 2,-0.3 -0.970 12.2-178.8-138.9 138.9 11.7 -3.3 4.5 41 48 A E E -AD 3 51A 87 -38,-2.5 -38,-2.7 -2,-0.4 2,-0.4 -0.960 7.0-163.7-145.1 131.7 14.5 -4.7 6.7 42 49 A T E -AD 2 50A 51 8,-3.2 8,-3.0 -2,-0.3 2,-1.0 -0.938 18.9-137.0-115.3 132.1 14.7 -7.8 8.8 43 50 A Q E + D 0 49A 107 -42,-2.2 6,-0.2 -2,-0.4 3,-0.1 -0.760 24.9 177.6 -83.4 94.7 17.2 -8.5 11.6 44 51 A I E - 0 0 89 4,-1.5 2,-0.3 -2,-1.0 5,-0.2 0.867 68.4 -28.8 -72.4 -41.4 18.2 -12.2 10.9 45 52 A N E > S- D 0 48A 80 3,-1.5 3,-1.2 0, 0.0 -1,-0.3 -0.884 86.1 -73.8-157.2-178.5 20.7 -12.5 13.7 46 53 A S T 3 S+ 0 0 111 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.682 130.2 32.9 -61.6 -22.0 22.9 -9.8 15.4 47 54 A D T 3 S+ 0 0 77 1,-0.1 37,-4.0 36,-0.0 2,-0.5 0.393 110.8 66.1-107.2 -6.3 25.4 -9.5 12.4 48 55 A L E < -DE 45 83A 40 -3,-1.2 -4,-1.5 35,-0.2 -3,-1.5 -0.980 53.9-179.3-133.9 121.4 23.1 -10.2 9.4 49 56 A T E -DE 43 82A 17 33,-2.6 33,-3.0 -2,-0.5 2,-0.3 -0.951 11.3-154.9-118.8 136.8 20.3 -8.0 8.1 50 57 A G E +DE 42 81A 8 -8,-3.0 -8,-3.2 -2,-0.4 2,-0.3 -0.835 21.9 167.7-106.1 149.9 18.0 -8.7 5.1 51 58 A Y E -DE 41 80A 49 29,-1.9 29,-1.9 -2,-0.3 2,-0.3 -0.974 14.9-178.1-154.6 163.7 16.2 -5.9 3.2 52 59 A G E -DE 40 79A 15 -12,-2.1 -12,-2.9 -2,-0.3 2,-0.3 -0.961 6.3-161.6-163.6 165.6 14.3 -5.0 0.1 53 60 A Q E -DE 39 78A 38 25,-2.8 25,-2.1 -2,-0.3 2,-0.4 -0.996 7.2-176.5-155.1 137.3 12.7 -2.1 -1.6 54 61 A W E +DE 38 77A 68 -16,-2.7 -16,-2.8 -2,-0.3 2,-0.3 -0.994 8.2 178.9-139.7 139.8 10.1 -1.3 -4.3 55 62 A E E -DE 37 76A 27 21,-1.9 20,-3.2 -2,-0.4 21,-1.6 -0.982 5.9-168.0-142.0 132.8 9.2 2.2 -5.5 56 63 A Y E -DE 36 74A 52 -20,-3.6 -20,-1.9 -2,-0.3 2,-0.5 -0.922 14.9-138.9-127.0 150.9 6.7 3.1 -8.2 57 64 A N E -DE 35 73A 1 16,-3.0 16,-1.5 -2,-0.3 2,-0.6 -0.950 13.9-174.6-111.6 117.8 5.7 6.3 -10.3 58 65 A F E -D 34 0A 83 -24,-2.7 -24,-2.8 -2,-0.5 2,-0.2 -0.920 20.7-141.0-105.5 112.5 2.0 7.1 -11.0 59 66 A Q E -D 33 0A 43 -2,-0.6 -26,-0.3 11,-0.3 3,-0.2 -0.596 11.1-165.6 -74.1 144.0 1.6 10.1 -13.3 60 67 A G S S+ 0 0 42 -28,-2.7 -27,-0.2 -2,-0.2 -28,-0.2 0.108 75.3 71.2-113.6 18.3 -1.2 12.2 -12.2 61 68 A N S S+ 0 0 45 -29,-0.4 2,-0.3 -30,-0.1 -1,-0.1 0.115 74.3 95.6-125.5 25.7 -1.5 14.2 -15.3 62 69 A N S S- 0 0 38 -3,-0.2 6,-0.1 6,-0.2 4,-0.0 -0.738 75.8-110.6-104.0 155.9 -2.9 11.6 -17.8 63 70 A S - 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G 0 126A 18 32,-2.3 32,-2.5 -2,-0.6 2,-0.3 -0.910 54.9 -66.1-148.7 176.4 18.7 0.1 -8.6 95 102 A Y E - G 0 125A 53 -2,-0.3 30,-0.3 30,-0.2 2,-0.1 -0.573 53.4-114.3 -69.1 122.4 20.8 3.3 -8.9 96 103 A G > - 0 0 0 28,-2.3 3,-1.1 -2,-0.3 26,-0.1 -0.367 26.5-116.4 -49.0 145.2 23.9 3.0 -11.0 97 104 A V T > S+ 0 0 0 1,-0.3 3,-2.3 2,-0.2 4,-0.2 0.767 111.6 62.4 -61.8 -32.7 27.1 3.3 -9.1 98 105 A V T >> S+ 0 0 1 24,-1.0 4,-2.0 1,-0.3 3,-1.7 0.733 89.0 70.6 -68.5 -28.5 28.2 6.5 -10.8 99 106 A Y H <> S+ 0 0 41 23,-1.3 4,-1.9 -3,-1.1 -1,-0.3 0.607 79.1 76.6 -56.2 -15.0 25.2 8.1 -9.3 100 107 A D H <4 S+ 0 0 37 -3,-2.3 -1,-0.3 2,-0.2 -2,-0.2 0.765 107.7 34.6 -69.2 -21.4 27.2 7.7 -6.0 101 108 A A H X4 S+ 0 0 0 -3,-1.7 3,-2.4 -4,-0.2 -2,-0.2 0.909 115.6 50.0 -89.9 -57.4 28.9 10.6 -7.6 102 109 A L H >X S+ 0 0 11 -4,-2.0 4,-1.1 1,-0.3 3,-0.8 0.689 93.4 80.8 -52.6 -20.0 26.0 12.5 -9.4 103 110 A G T 3< S+ 0 0 22 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.1 0.792 78.9 71.5 -55.5 -26.5 24.0 12.2 -6.1 104 111 A Y T <4 S+ 0 0 17 -3,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.885 110.3 24.4 -58.3 -45.9 26.0 15.3 -4.8 105 112 A T T <4 S+ 0 0 2 -3,-0.8 2,-2.4 -4,-0.2 3,-0.3 0.444 93.3 99.3-102.0 -6.7 24.3 17.8 -7.0 106 113 A D < + 0 0 56 -4,-1.1 -1,-0.1 1,-0.2 6,-0.1 -0.464 56.3 105.1 -80.5 71.1 21.0 16.0 -7.6 107 114 A M + 0 0 70 -2,-2.4 -1,-0.2 0, 0.0 5,-0.1 0.216 38.5 131.0-138.5 7.3 19.5 18.2 -4.9 108 115 A L - 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