==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 19-NOV-08 2KB1 . COMPND 2 MOLECULE: WSK3; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.MA,Y.XU,T.TILLMAN,P.TANG,E.MEIROVITCH,R.ECKENHOFF, . 412 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23447.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 326 79.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 0 0.0 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-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 . 20 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 16.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 231 56.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 1 1 1 2 0 2 1 0 1 0 0 0 5 0 0 0 0 0 0 0 0 0 1 1 2 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 S 0 0 162 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 158.6 -10.6 -19.8 -13.0 2 2 A A > - 0 0 32 1,-0.1 4,-1.5 86,-0.0 3,-0.4 -0.342 360.0-123.3 -68.8 149.9 -7.4 -21.3 -11.5 3 3 A D H > S+ 0 0 61 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.653 113.2 57.9 -67.3 -14.3 -7.2 -21.5 -7.7 4 4 A H H > S+ 0 0 36 2,-0.2 4,-2.8 3,-0.2 84,-0.3 0.827 100.6 54.0 -83.8 -35.0 -4.0 -19.5 -8.0 5 5 A E H > S+ 0 0 102 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.922 111.4 44.6 -65.2 -44.5 -5.7 -16.5 -9.7 6 6 A R H X S+ 0 0 135 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.881 115.3 48.9 -66.9 -38.5 -8.3 -16.2 -7.0 7 7 A E H X S+ 0 0 103 -4,-1.0 4,-1.4 2,-0.2 -2,-0.2 0.915 113.7 45.4 -67.7 -43.1 -5.7 -16.6 -4.3 8 8 A A H X S+ 0 0 8 -4,-2.8 4,-1.2 1,-0.2 -2,-0.2 0.872 109.8 55.9 -67.6 -36.9 -3.4 -14.0 -5.9 9 9 A Q H X S+ 0 0 132 -4,-2.4 4,-1.0 1,-0.2 3,-0.4 0.890 104.0 53.7 -62.4 -39.7 -6.4 -11.6 -6.4 10 10 A K H X S+ 0 0 147 -4,-1.8 4,-1.2 1,-0.2 3,-0.5 0.879 102.1 58.7 -62.2 -38.8 -7.2 -11.8 -2.7 11 11 A A H X S+ 0 0 4 -4,-1.4 4,-1.4 1,-0.2 -1,-0.2 0.850 97.6 60.9 -59.8 -35.3 -3.6 -10.7 -1.9 12 12 A E H X S+ 0 0 73 -4,-1.2 4,-1.2 -3,-0.4 3,-0.3 0.891 101.1 53.1 -60.1 -39.5 -4.1 -7.5 -4.0 13 13 A E H X S+ 0 0 134 -4,-1.0 4,-1.2 -3,-0.5 -1,-0.2 0.847 102.9 58.7 -64.4 -33.8 -6.9 -6.5 -1.6 14 14 A E H X S+ 0 0 113 -4,-1.2 4,-1.3 1,-0.2 -1,-0.2 0.864 100.0 56.9 -63.8 -36.3 -4.6 -7.0 1.4 15 15 A L H X S+ 0 0 18 -4,-1.4 4,-1.5 -3,-0.3 3,-0.3 0.899 103.3 53.6 -62.0 -40.9 -2.2 -4.4 -0.1 16 16 A Q H X S+ 0 0 122 -4,-1.2 4,-1.9 1,-0.2 -1,-0.2 0.835 100.9 61.2 -63.0 -33.7 -4.9 -1.8 -0.2 17 17 A K H X S+ 0 0 125 -4,-1.2 4,-2.0 1,-0.2 -1,-0.2 0.907 102.9 49.8 -60.6 -43.1 -5.6 -2.4 3.5 18 18 A V H X S+ 0 0 29 -4,-1.3 4,-3.5 -3,-0.3 -1,-0.2 0.899 106.9 55.1 -63.1 -41.5 -2.0 -1.3 4.5 19 19 A L H X S+ 0 0 19 -4,-1.5 4,-3.4 2,-0.2 -1,-0.2 0.907 105.9 52.4 -59.4 -41.6 -2.4 1.8 2.4 20 20 A E H X S+ 0 0 126 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.952 115.2 40.1 -59.3 -49.6 -5.5 2.8 4.3 21 21 A E H X S+ 0 0 115 -4,-2.0 4,-1.8 1,-0.2 5,-0.3 0.884 116.4 51.7 -66.4 -38.2 -3.7 2.3 7.7 22 22 A A H X S+ 0 0 6 -4,-3.5 4,-2.4 1,-0.2 5,-0.2 0.897 100.2 61.7 -65.2 -40.8 -0.6 4.0 6.2 23 23 A S H X S+ 0 0 13 -4,-3.4 4,-0.6 -5,-0.2 -1,-0.2 0.862 113.5 38.2 -53.6 -36.4 -2.6 7.0 5.0 24 24 A K H >X S+ 0 0 124 -4,-1.1 3,-3.1 -3,-0.3 4,-1.1 0.971 115.0 45.3 -77.6 -78.3 -3.4 7.6 8.6 25 25 A K H 3X S+ 0 0 126 -4,-1.8 4,-3.7 1,-0.3 5,-0.3 0.784 108.2 64.3 -36.2 -35.2 -0.3 6.8 10.7 26 26 A A H 3X S+ 0 0 2 -4,-2.4 4,-1.7 -5,-0.3 -1,-0.3 0.885 99.1 51.3 -60.7 -39.3 1.6 8.8 8.0 27 27 A V H < S+ 0 0 6 -4,-1.7 2,-1.3 -5,-0.3 3,-1.1 0.763 102.9 83.7 -97.2 -33.0 4.7 13.3 10.0 31 31 A R T 3< S+ 0 0 167 -4,-3.4 -1,-0.1 -5,-0.3 -4,-0.0 -0.607 107.8 13.4 -77.5 97.6 2.5 15.7 11.9 32 32 A G T 3 S+ 0 0 72 -2,-1.3 -1,-0.2 1,-0.5 -2,-0.1 0.170 101.3 110.4 124.0 -14.0 4.7 16.8 14.8 33 33 A A S X S- 0 0 12 -3,-1.1 3,-1.1 -5,-0.1 -1,-0.5 -0.624 73.7-103.7 -91.0 150.9 8.0 15.5 13.5 34 34 A P T 3 S+ 0 0 84 0, 0.0 30,-0.2 0, 0.0 31,-0.2 -0.477 103.0 18.6 -74.9 142.7 10.9 17.9 12.4 35 35 A G T 3 S+ 0 0 54 1,-0.3 2,-0.1 -2,-0.2 -5,-0.0 0.564 90.4 154.2 76.2 7.7 11.5 18.4 8.7 36 36 A A < + 0 0 34 -3,-1.1 -1,-0.3 -6,-0.2 -6,-0.0 -0.376 19.5 164.3 -69.3 147.3 8.1 17.0 8.0 37 37 A A + 0 0 44 24,-0.1 -1,-0.1 -3,-0.1 -6,-0.1 0.205 56.7 80.5-146.4 10.1 6.4 18.0 4.8 38 38 A L + 0 0 7 -12,-0.1 -11,-0.1 23,-0.1 5,-0.1 0.957 53.3 124.1 -83.8 -71.1 3.6 15.4 4.5 39 39 A I + 0 0 66 -13,-0.3 4,-0.1 -12,-0.2 -2,-0.1 0.157 32.3 95.0 37.5-162.8 0.8 16.7 6.8 40 40 A S > - 0 0 55 3,-0.1 4,-0.8 2,-0.1 -9,-0.0 0.714 65.6-133.7 55.1 128.1 -2.6 17.2 5.1 41 41 A Y H >> S+ 0 0 172 2,-0.2 4,-1.3 1,-0.2 3,-0.7 0.963 102.3 46.2 -77.7 -55.7 -5.1 14.3 5.4 42 42 A P H 3> S+ 0 0 94 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.733 116.0 50.2 -60.3 -20.5 -6.4 14.1 1.7 43 43 A D H 3> S+ 0 0 50 2,-0.2 4,-1.8 1,-0.1 -2,-0.2 0.732 100.2 62.7 -89.0 -25.0 -2.8 14.4 0.6 44 44 A A H > S+ 0 0 18 -2,-2.5 4,-1.1 -3,-0.1 3,-0.9 0.143 100.2 36.5-152.4 -80.3 -0.2 4.5 -3.1 50 50 A E H 3< S+ 0 0 4 -4,-0.5 6,-0.4 1,-0.3 7,-0.2 0.734 111.0 68.1 -60.4 -20.9 2.8 4.5 -5.4 51 51 A T T >< S+ 0 0 0 -4,-0.9 3,-1.3 1,-0.2 -1,-0.3 0.923 94.5 54.0 -65.2 -43.7 4.9 3.9 -2.3 52 52 A A T <4 S+ 0 0 1 -3,-0.9 2,-0.8 1,-0.3 26,-0.2 0.943 105.9 51.4 -56.1 -50.0 3.4 0.4 -1.8 53 53 A T T 3< S- 0 0 10 -4,-1.1 -1,-0.3 1,-0.2 2,-0.3 -0.059 115.4-123.8 -79.8 38.0 4.3 -0.6 -5.4 54 54 A T < + 0 0 33 -3,-1.3 2,-3.3 -2,-0.8 3,-0.2 -0.398 68.7 133.2 60.3-117.9 7.8 0.6 -4.5 55 55 A V - 0 0 16 -2,-0.3 -1,-0.2 1,-0.2 -4,-0.1 -0.248 61.1-135.8 69.9 -54.9 8.8 3.2 -7.1 56 56 A G S S+ 0 0 2 -2,-3.3 3,-0.2 -6,-0.4 -1,-0.2 0.418 75.7 114.6 84.1 -1.9 10.0 5.5 -4.3 57 57 A Y + 0 0 45 -3,-0.2 -7,-0.1 1,-0.2 -6,-0.1 -0.069 24.5 145.5 -90.6 34.5 8.3 8.4 -6.0 58 58 A G - 0 0 0 1,-0.2 -1,-0.2 -8,-0.1 3,-0.1 0.626 66.9-123.2 -47.4 -9.8 5.9 8.7 -3.1 59 59 A D S S+ 0 0 57 1,-0.3 2,-0.2 -3,-0.2 -1,-0.2 0.582 86.3 58.7 74.3 9.4 6.2 12.4 -3.9 60 60 A R S S- 0 0 56 -4,-0.2 -1,-0.3 -13,-0.1 -2,-0.1 -0.682 73.2-133.0-145.1-162.1 7.4 13.0 -0.4 61 61 A Y - 0 0 102 -2,-0.2 -24,-0.1 -3,-0.1 -23,-0.1 -0.579 14.7-146.0-167.9 98.3 10.1 11.9 2.1 62 62 A P - 0 0 9 0, 0.0 -32,-0.1 0, 0.0 -26,-0.1 -0.339 15.7-144.9 -68.0 150.2 9.5 10.7 5.8 63 63 A V - 0 0 42 -29,-0.1 5,-0.3 1,-0.0 -28,-0.1 0.364 33.2 -87.3 -87.6-136.8 12.2 11.6 8.4 64 64 A T S >> S+ 0 0 43 -30,-0.2 3,-1.0 3,-0.1 4,-0.6 0.767 118.3 57.4-107.2 -44.3 13.2 9.4 11.4 65 65 A E T 34 S+ 0 0 126 1,-0.3 2,-0.6 -31,-0.2 -35,-0.1 0.910 94.3 68.9 -56.2 -41.6 10.8 10.4 14.1 66 66 A E T 3> S- 0 0 4 -32,-0.2 4,-0.6 1,-0.1 -1,-0.3 0.210 121.5-111.0 -65.1 24.9 7.9 9.4 11.8 67 67 A G T X4 - 0 0 26 -3,-1.0 3,-4.3 -2,-0.6 -2,-0.2 0.917 23.1-140.3 43.0 65.9 9.3 6.0 12.4 68 68 A R T >X S+ 0 0 20 -4,-0.6 4,-2.3 1,-0.4 3,-1.8 0.730 99.1 82.2 -24.3 -34.0 10.6 5.4 8.9 69 69 A K H 3> S+ 0 0 107 1,-0.3 4,-2.3 2,-0.2 -1,-0.4 0.725 74.8 75.2 -48.1 -19.0 9.3 2.0 9.5 70 70 A V H S+ 0 0 1 -3,-1.8 4,-2.9 2,-0.2 5,-0.3 0.883 119.4 59.4 -82.6 -41.8 7.1 3.6 4.8 72 72 A E H X S+ 0 0 31 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.922 107.8 46.5 -52.7 -48.3 9.5 0.7 5.1 73 73 A Q H X S+ 0 0 133 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.893 111.9 51.6 -62.9 -40.3 6.7 -1.6 6.3 74 74 A V H X S+ 0 0 5 -4,-0.9 4,-1.2 -5,-0.3 -2,-0.2 0.933 111.5 45.9 -63.0 -46.5 4.3 -0.3 3.6 75 75 A M H X S+ 0 0 7 -4,-2.9 4,-1.4 1,-0.2 3,-0.4 0.915 111.9 51.5 -63.1 -43.2 6.8 -1.0 0.8 76 76 A K H X S+ 0 0 87 -4,-2.4 4,-2.0 -5,-0.3 3,-0.2 0.892 103.0 59.2 -60.8 -41.1 7.7 -4.4 2.2 77 77 A A H X S+ 0 0 22 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.863 103.2 53.4 -56.6 -36.3 4.0 -5.4 2.3 78 78 A G H X S+ 0 0 0 -4,-1.2 4,-3.4 -3,-0.4 5,-0.3 0.888 104.9 53.9 -66.2 -39.6 3.8 -4.7 -1.4 79 79 A I H X S+ 0 0 64 -4,-1.4 4,-2.5 -3,-0.2 5,-0.2 0.916 108.8 48.6 -62.1 -43.7 6.7 -7.1 -2.1 80 80 A E H X S+ 0 0 89 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.933 115.9 43.4 -62.5 -46.2 5.0 -9.9 -0.2 81 81 A V H X S+ 0 0 8 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.946 119.7 41.5 -64.3 -49.4 1.7 -9.4 -2.1 82 82 A F H < S+ 0 0 46 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.784 119.5 46.6 -69.0 -27.9 3.4 -9.0 -5.5 83 83 A A H >< S+ 0 0 21 -4,-2.5 3,-0.7 -5,-0.3 -2,-0.2 0.770 103.9 62.5 -84.5 -28.0 5.8 -11.8 -4.7 84 84 A L H >< S+ 0 0 62 -4,-2.3 3,-1.9 1,-0.2 4,-0.2 0.922 94.7 58.7 -63.4 -46.0 3.0 -14.1 -3.4 85 85 A V T >X S+ 0 0 22 -4,-1.4 3,-1.9 1,-0.3 4,-1.4 0.731 76.8 98.5 -57.4 -18.6 1.2 -14.3 -6.8 86 86 A T H <> S+ 0 0 40 -3,-0.7 4,-1.8 1,-0.3 -1,-0.3 0.786 73.6 65.7 -38.2 -31.2 4.5 -15.6 -8.0 87 87 A A H <> S+ 0 0 9 -3,-1.9 4,-1.8 1,-0.2 3,-0.4 0.948 99.6 46.5 -59.0 -51.1 2.7 -19.0 -7.6 88 88 A A H <4 S+ 0 0 4 -3,-1.9 -1,-0.2 -84,-0.3 -2,-0.2 0.807 110.2 56.3 -61.9 -29.6 0.2 -18.1 -10.3 89 89 A L H >< S+ 0 0 25 -4,-1.4 3,-0.8 1,-0.2 4,-0.4 0.845 104.3 52.5 -70.9 -35.4 3.1 -17.0 -12.5 90 90 A A H >X S+ 0 0 8 -4,-1.8 4,-1.0 -3,-0.4 3,-0.7 0.948 101.5 57.0 -65.7 -50.5 4.8 -20.4 -12.2 91 91 A T H 3X S+ 0 0 24 -4,-1.8 4,-1.0 1,-0.2 -1,-0.2 0.546 87.3 91.2 -59.5 -4.5 1.8 -22.4 -13.3 92 92 A D H X4 S+ 0 0 46 -3,-0.8 3,-1.1 1,-0.2 -1,-0.2 0.983 93.9 29.7 -55.3 -66.1 2.0 -20.3 -16.4 93 93 A F H X4 S+ 0 0 13 -3,-0.7 3,-4.1 -4,-0.4 4,-0.5 0.875 106.3 75.5 -62.8 -39.6 4.3 -22.6 -18.5 94 94 A V H >X S+ 0 0 19 -4,-1.0 3,-1.2 1,-0.3 4,-0.6 0.788 85.9 65.3 -43.5 -31.8 3.0 -25.7 -16.7 95 95 A R H XX S+ 0 0 164 -3,-1.1 4,-1.5 -4,-1.0 3,-0.5 0.740 84.8 73.8 -65.3 -22.1 -0.1 -25.2 -18.9 96 96 A R H <> S+ 0 0 54 -3,-4.1 4,-1.7 1,-0.2 -1,-0.3 0.844 86.4 62.7 -60.0 -34.3 2.1 -25.9 -21.9 97 97 A E H <> S+ 0 0 97 -3,-1.2 4,-1.1 -4,-0.5 -1,-0.2 0.902 104.2 47.1 -58.4 -41.0 2.1 -29.6 -20.9 98 98 A E H S+ 0 0 99 -4,-0.6 4,-1.9 -3,-0.5 5,-1.5 0.840 105.4 59.9 -68.9 -33.8 -1.6 -29.8 -21.4 99 99 A E H <5S+ 0 0 119 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.855 98.4 59.3 -62.9 -34.9 -1.3 -28.0 -24.8 100 100 A R H <5S+ 0 0 182 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.920 116.9 30.9 -60.2 -45.1 0.9 -30.8 -26.0 101 101 A R H <5S- 0 0 201 -4,-1.1 -1,-0.2 -3,-0.1 -2,-0.2 0.640 105.7-129.4 -87.4 -16.1 -1.8 -33.4 -25.4 102 102 A G T <5 0 0 62 -4,-1.9 -3,-0.2 -5,-0.2 -4,-0.1 0.703 360.0 360.0 74.8 19.3 -4.5 -30.8 -26.2 103 103 A H < 0 0 192 -5,-1.5 -4,-0.2 -6,-0.2 -5,-0.1 0.590 360.0 360.0 -86.4 360.0 -6.3 -31.7 -22.9 104 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 105 1 B S 0 0 134 0, 0.0 5,-0.3 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 105.9 9.4 -21.1 -32.2 106 2 B A - 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