==== 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 PROTEIN TRANSPORT 03-SEP-05 2D27 . COMPND 2 MOLECULE: TYPE II SECRETION ATPASE XPSE; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOMONAS CAMPESTRIS; . AUTHOR Y.CHEN,S.-J.SHIUE,C.-W.HUANG,J.-L.CHANG,Y.-L.CHIEN,N.-T.HU,N . 148 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10183.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 97 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 4.7 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 . 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 . 7 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 39.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 3.4 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 0 0 2 0 0 0 3 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 X 0 0 203 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 165.5 -6.2 -9.4 -7.0 2 2 A E + 0 0 199 1,-0.2 3,-0.1 0, 0.0 0, 0.0 -0.357 360.0 149.4 -51.6 138.6 -3.9 -6.4 -6.3 3 3 A Q + 0 0 155 1,-0.4 2,-0.3 -2,-0.1 -1,-0.2 0.435 54.9 20.2-141.7 -69.8 -0.9 -7.4 -4.2 4 4 A R S S- 0 0 115 1,-0.1 -1,-0.4 2,-0.0 5,-0.0 -0.838 78.1-104.0-116.8 148.2 2.2 -5.3 -4.7 5 5 A S > - 0 0 65 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.199 33.5-111.4 -55.8 157.4 2.8 -1.8 -6.2 6 6 A A H > S+ 0 0 59 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.928 119.5 52.8 -55.6 -42.3 4.2 -1.5 -9.8 7 7 A E H > S+ 0 0 152 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.895 107.5 50.8 -66.8 -40.5 7.5 -0.0 -8.3 8 8 A T H > S+ 0 0 59 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.893 110.9 48.4 -60.3 -44.3 7.9 -3.0 -5.9 9 9 A R H X S+ 0 0 143 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.860 111.5 49.2 -68.5 -34.0 7.4 -5.5 -8.8 10 10 A I H X S+ 0 0 105 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.947 111.4 49.4 -68.0 -47.6 10.0 -3.7 -11.0 11 11 A V H X S+ 0 0 33 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.935 112.0 50.2 -57.6 -44.4 12.6 -3.6 -8.2 12 12 A E H X S+ 0 0 63 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.842 108.2 50.6 -64.9 -36.8 12.0 -7.3 -7.6 13 13 A A H X S+ 0 0 26 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.904 110.8 50.2 -66.6 -39.9 12.4 -8.1 -11.3 14 14 A L H <>S+ 0 0 68 -4,-2.3 5,-3.1 1,-0.2 6,-0.9 0.921 110.3 49.9 -65.0 -40.6 15.7 -6.2 -11.3 15 15 A L H ><5S+ 0 0 31 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.914 108.0 53.1 -63.8 -39.9 16.8 -8.1 -8.1 16 16 A E H 3<5S+ 0 0 145 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.824 110.2 47.3 -67.9 -37.2 16.0 -11.5 -9.7 17 17 A R T 3<5S- 0 0 165 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.232 117.2-117.3 -81.1 6.4 18.1 -10.7 -12.7 18 18 A R T < 5S+ 0 0 221 -3,-1.8 -3,-0.2 2,-0.2 -2,-0.1 0.780 80.4 126.3 59.6 29.9 20.9 -9.5 -10.4 19 19 A R S > - 0 0 139 -2,-0.3 3,-1.5 -3,-0.1 4,-1.2 -0.875 31.2-111.1-115.2 157.3 21.6 -6.6 -4.8 22 22 A D H 3> S+ 0 0 121 -2,-0.3 4,-1.6 1,-0.3 3,-0.4 0.846 119.2 59.6 -52.4 -39.5 19.9 -6.8 -1.4 23 23 A T H 3> S+ 0 0 84 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.743 96.2 58.8 -58.7 -38.2 22.6 -4.4 -0.2 24 24 A D H <> S+ 0 0 61 -3,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.895 107.8 47.9 -59.1 -42.8 21.6 -1.8 -2.7 25 25 A L H X S+ 0 0 22 -4,-1.2 4,-2.6 -3,-0.4 5,-0.2 0.867 105.6 55.2 -71.5 -37.3 18.1 -1.7 -1.2 26 26 A L H X S+ 0 0 121 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.943 113.7 44.8 -59.5 -41.8 19.2 -1.5 2.4 27 27 A R H X S+ 0 0 128 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.926 111.4 49.7 -70.1 -49.4 21.2 1.6 1.4 28 28 A A H X S+ 0 0 43 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.939 113.4 48.3 -49.4 -50.5 18.5 3.2 -0.7 29 29 A R H X S+ 0 0 114 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.882 107.8 53.7 -65.5 -35.6 16.0 2.8 2.1 30 30 A Q H X S+ 0 0 76 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.972 111.1 46.3 -61.8 -49.4 18.3 4.1 4.6 31 31 A L H X S+ 0 0 86 -4,-2.8 4,-1.1 1,-0.2 -2,-0.2 0.857 111.2 52.3 -57.4 -39.4 18.7 7.3 2.5 32 32 A Q H >X>S+ 0 0 132 -4,-2.4 3,-0.7 -5,-0.2 5,-0.6 0.946 109.8 49.8 -62.4 -43.6 14.9 7.5 2.0 33 33 A A H ><5S+ 0 0 29 -4,-2.6 3,-1.1 1,-0.2 -2,-0.2 0.932 110.3 49.1 -59.5 -47.4 14.5 7.3 5.7 34 34 A E H 3<5S+ 0 0 78 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.615 95.2 76.1 -69.8 -15.0 17.1 10.1 6.3 35 35 A S H <<5S- 0 0 61 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.749 88.6-142.9 -69.5 -27.5 15.5 12.4 3.7 36 36 A G T <<5 + 0 0 22 -3,-1.1 9,-0.1 -4,-0.5 -3,-0.1 0.736 57.1 133.9 73.9 21.8 12.6 13.3 6.1 37 37 A X < + 0 0 116 -5,-0.6 -1,-0.1 4,-0.1 -4,-0.1 0.322 25.7 123.8 -96.1 13.3 10.2 13.3 3.0 38 38 A G S > S- 0 0 44 -5,-0.2 4,-2.3 -6,-0.2 5,-0.2 -0.306 73.2-110.6 -61.4 158.0 7.4 11.3 4.7 39 39 A L H > S+ 0 0 128 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.934 111.2 36.0 -65.2 -61.2 4.1 13.0 4.7 40 40 A L H > S+ 0 0 65 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.836 116.2 55.6 -57.6 -37.1 3.5 13.9 8.4 41 41 A A H > S+ 0 0 24 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.907 111.1 44.1 -65.0 -42.3 7.2 14.6 8.9 42 42 A L H X S+ 0 0 47 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.903 110.8 53.0 -69.9 -40.8 7.1 17.1 6.1 43 43 A L H <>S+ 0 0 54 -4,-2.4 5,-2.2 -5,-0.2 6,-0.5 0.893 111.1 49.6 -59.0 -39.3 3.8 18.7 7.2 44 44 A G H ><5S+ 0 0 36 -4,-2.3 3,-2.0 3,-0.2 5,-0.2 0.949 109.7 49.0 -61.6 -51.4 5.5 19.1 10.6 45 45 A R H 3<5S+ 0 0 140 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.818 106.6 56.9 -63.8 -31.9 8.6 20.7 9.2 46 46 A L T 3<5S- 0 0 111 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.437 116.9-114.6 -73.6 -6.2 6.5 23.1 7.1 47 47 A G T < 5S+ 0 0 64 -3,-2.0 -3,-0.2 2,-0.2 -2,-0.1 0.635 82.3 120.1 84.7 14.3 4.8 24.3 10.4 48 48 A L < + 0 0 119 -5,-2.2 2,-0.3 1,-0.2 -4,-0.2 0.595 69.6 34.4 -97.4 -6.9 1.4 23.0 9.5 49 49 A V S S- 0 0 50 -6,-0.5 -1,-0.2 -5,-0.2 -2,-0.2 -0.983 80.8-125.3-148.2 124.9 0.8 20.5 12.3 50 50 A S > - 0 0 55 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.363 23.1-116.2 -73.2 154.8 1.9 21.0 15.9 51 51 A E H > S+ 0 0 67 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.839 115.9 52.9 -50.6 -37.5 3.9 18.3 17.7 52 52 A R H > S+ 0 0 151 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.875 108.3 44.8 -72.7 -42.4 1.0 17.9 20.0 53 53 A D H > S+ 0 0 83 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.855 116.2 49.6 -66.6 -35.5 -1.7 17.3 17.5 54 54 A H H X S+ 0 0 16 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.950 114.1 45.4 -62.0 -50.9 0.8 14.9 15.7 55 55 A A H X S+ 0 0 2 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.950 116.1 44.7 -64.1 -51.4 1.5 13.1 19.0 56 56 A E H X S+ 0 0 96 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.815 114.1 47.5 -61.7 -40.7 -2.1 12.8 20.1 57 57 A T H X S+ 0 0 70 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.858 111.2 51.0 -74.5 -36.0 -3.4 11.8 16.8 58 58 A C H X S+ 0 0 11 -4,-2.4 4,-2.2 2,-0.2 6,-0.2 0.921 112.3 48.1 -60.8 -51.6 -0.7 9.1 16.3 59 59 A A H X>S+ 0 0 8 -4,-2.5 5,-2.3 1,-0.2 4,-1.0 0.899 114.6 46.6 -53.1 -48.2 -1.5 7.7 19.8 60 60 A E H <5S+ 0 0 146 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.878 111.9 46.8 -66.0 -45.6 -5.2 7.7 19.1 61 61 A V H <5S+ 0 0 112 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.929 119.7 40.4 -65.6 -43.8 -5.1 6.1 15.7 62 62 A L H <5S- 0 0 86 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.488 107.5-123.5 -84.3 -5.1 -2.7 3.3 16.8 63 63 A G T <5 + 0 0 70 -4,-1.0 -3,-0.2 1,-0.2 -4,-0.1 0.852 62.9 146.1 64.1 35.6 -4.4 2.8 20.2 64 64 A L < - 0 0 44 -5,-2.3 -1,-0.2 -6,-0.2 2,-0.1 -0.702 52.8-101.7-100.7 157.8 -1.1 3.5 21.9 65 65 A P - 0 0 66 0, 0.0 69,-2.7 0, 0.0 2,-0.5 -0.453 26.5-138.8 -74.4 151.4 -0.2 5.2 25.2 66 66 A L B -a 134 0A 71 67,-0.2 2,-0.5 -2,-0.1 69,-0.2 -0.964 17.3-157.2-110.9 120.8 1.0 8.8 25.2 67 67 A V - 0 0 22 67,-2.8 69,-0.3 -2,-0.5 2,-0.2 -0.905 5.5-143.7-108.8 124.7 3.8 9.4 27.7 68 68 A D > - 0 0 46 -2,-0.5 3,-1.8 67,-0.1 4,-0.0 -0.550 22.4-123.3 -76.3 142.8 4.7 12.9 29.1 69 69 A A G > S+ 0 0 31 1,-0.3 3,-1.3 -2,-0.2 -1,-0.1 0.757 109.4 67.8 -60.4 -27.8 8.3 13.8 29.7 70 70 A R G 3 S+ 0 0 219 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.555 88.2 66.8 -68.4 -13.8 7.5 14.5 33.4 71 71 A Q G < S+ 0 0 125 -3,-1.8 2,-0.3 2,-0.1 -1,-0.3 0.342 95.1 72.5 -88.5 7.7 6.8 10.8 33.9 72 72 A L S < S- 0 0 44 -3,-1.3 2,-0.0 1,-0.1 27,-0.0 -0.883 77.6-119.0-122.2 157.5 10.5 9.9 33.3 73 73 A G - 0 0 43 -2,-0.3 -1,-0.1 2,-0.2 -2,-0.1 -0.164 25.8-111.2 -85.1-178.3 13.7 10.3 35.4 74 74 A D S S+ 0 0 106 2,-0.1 -1,-0.1 72,-0.1 -2,-0.0 0.430 97.7 49.0-103.3 -4.5 16.9 12.3 34.5 75 75 A T S S- 0 0 108 73,-0.0 -2,-0.2 0, 0.0 72,-0.1 -0.964 94.0-101.1-123.9 154.4 19.2 9.3 34.1 76 76 A P - 0 0 40 0, 0.0 23,-0.1 0, 0.0 -2,-0.1 -0.403 38.3-120.9 -62.9 140.8 18.6 6.2 32.0 77 77 A P - 0 0 65 0, 0.0 2,-0.3 0, 0.0 23,-0.1 -0.269 43.9 -79.0 -66.0 171.5 17.5 3.1 34.0 78 78 A E + 0 0 190 23,-0.1 2,-0.3 -2,-0.0 23,-0.2 -0.641 60.4 179.6 -76.3 133.7 19.7 -0.0 33.8 79 79 A X - 0 0 36 -2,-0.3 4,-0.3 21,-0.1 27,-0.0 -0.998 36.7 -81.0-146.5 134.3 19.1 -1.9 30.6 80 80 A L > - 0 0 98 -2,-0.3 3,-0.7 2,-0.1 4,-0.2 0.106 54.4-104.4 -28.5 134.2 20.4 -5.1 28.8 81 81 A P G > S+ 0 0 115 0, 0.0 3,-1.8 0, 0.0 2,-1.1 0.735 109.1 75.5 -42.2 -44.5 23.7 -4.4 27.1 82 82 A E G 3 + 0 0 42 1,-0.3 46,-0.1 44,-0.1 -2,-0.1 -0.141 54.5 97.3 -77.3 37.2 22.1 -4.3 23.6 83 83 A V G X S+ 0 0 24 -2,-1.1 3,-0.8 -3,-0.7 -1,-0.3 0.364 78.4 86.3 -77.9 -15.5 20.5 -0.9 23.8 84 84 A Q T < + 0 0 64 -3,-1.8 3,-0.1 1,-0.2 0, 0.0 -0.483 59.9 67.8 -62.2 162.4 23.8 -0.9 22.1 85 85 A G T 3 S+ 0 0 57 -2,-0.2 2,-0.7 41,-0.0 -1,-0.2 -0.114 92.7 88.0 84.8 -27.9 22.9 -1.7 18.6 86 86 A L < - 0 0 21 -3,-0.8 2,-0.1 39,-0.1 -3,-0.1 -0.867 68.1-161.5-110.9 99.1 21.4 1.9 19.1 87 87 A S > - 0 0 64 -2,-0.7 4,-1.8 1,-0.1 5,-0.1 -0.373 28.9-122.1 -66.3 150.9 23.8 4.7 18.4 88 88 A L H > S+ 0 0 65 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.831 115.8 59.7 -61.2 -33.7 22.9 8.1 19.9 89 89 A R H > S+ 0 0 196 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.884 104.0 48.2 -60.3 -45.3 23.0 9.2 16.2 90 90 A F H > S+ 0 0 36 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.883 109.7 53.0 -62.6 -43.0 20.2 6.8 15.3 91 91 A L H X>S+ 0 0 8 -4,-1.8 5,-2.0 1,-0.2 4,-0.6 0.867 112.2 44.4 -60.2 -41.2 18.1 7.9 18.2 92 92 A K H <5S+ 0 0 72 -4,-1.8 3,-0.4 2,-0.2 -2,-0.2 0.904 111.3 53.0 -71.4 -42.5 18.4 11.5 17.2 93 93 A Q H <5S+ 0 0 74 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.870 121.4 30.7 -61.3 -36.5 17.7 10.9 13.5 94 94 A F H <5S- 0 0 18 -4,-2.0 18,-0.4 2,-0.2 17,-0.4 0.323 104.4-125.2-110.4 4.4 14.5 8.9 14.2 95 95 A H T <5 + 0 0 46 -4,-0.6 16,-1.9 -3,-0.4 2,-0.3 0.950 65.5 121.4 52.1 60.2 13.4 10.8 17.4 96 96 A L E < -B 110 0A 0 -5,-2.0 14,-0.2 14,-0.2 -1,-0.2 -0.992 38.7-169.4-150.1 155.9 13.1 7.8 19.6 97 97 A C E -B 109 0A 0 12,-2.5 12,-2.5 -2,-0.3 2,-0.2 -0.958 26.6-124.6-151.1 128.7 14.5 6.5 22.8 98 98 A P E +B 108 0A 3 0, 0.0 10,-0.2 0, 0.0 3,-0.1 -0.566 32.9 173.4 -66.8 129.0 14.5 3.3 24.9 99 99 A V E - 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