==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 28-NOV-05 2F5X . COMPND 2 MOLECULE: BUGD; . SOURCE 2 ORGANISM_SCIENTIFIC: BORDETELLA PERTUSSIS TOHAMA I; . AUTHOR I.HUVENT,H.BELRHALI,R.ANTOINE,C.BOMPARD,F.JACOB-DUBUISSON, . 901 6 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35897.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 628 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 95 10.5 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 . 48 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 284 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 2.3 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 3 0 0 0 2 9 1 3 0 3 0 2 1 3 0 0 0 3 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 3 3 3 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 PARALLEL BRIDGES PER LADDER . 0 3 0 4 5 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 2 A Y 0 0 81 0, 0.0 60,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 135.5 38.6 46.4 26.0 2 3 A P + 0 0 18 0, 0.0 4,-0.1 0, 0.0 59,-0.1 0.525 360.0 152.1 -90.8 141.9 37.7 43.9 27.3 3 4 A E S S+ 0 0 152 2,-0.1 31,-0.0 1,-0.1 3,-0.0 0.395 73.8 21.5-107.5 0.0 40.9 41.9 27.2 4 5 A R S S- 0 0 115 32,-0.1 -1,-0.1 31,-0.0 31,-0.0 -0.940 106.0 -58.5-153.9 167.7 40.1 39.9 30.4 5 6 A P - 0 0 53 0, 0.0 2,-0.5 0, 0.0 32,-0.2 -0.134 48.4-129.6 -54.3 146.6 37.0 38.9 32.3 6 7 A V E -a 37 0A 0 30,-2.1 32,-2.8 -4,-0.1 2,-0.5 -0.876 15.8-136.0-100.5 127.6 34.8 41.7 33.8 7 8 A N E -ab 38 63A 46 55,-2.6 57,-2.9 -2,-0.5 2,-0.6 -0.746 14.0-162.0 -86.3 126.4 33.8 41.5 37.4 8 9 A X E -ab 39 64A 0 30,-2.9 32,-2.9 -2,-0.5 2,-0.5 -0.942 11.0-148.4-110.0 112.2 30.2 42.3 38.2 9 10 A V E -ab 40 65A 1 55,-3.2 57,-2.8 -2,-0.6 32,-0.2 -0.709 11.5-170.0 -85.6 126.9 29.7 43.1 41.9 10 11 A V E -a 41 0A 0 30,-3.2 32,-2.7 -2,-0.5 2,-1.1 -0.980 19.2-143.7-111.0 112.6 26.3 42.2 43.4 11 12 A P S S+ 0 0 0 0, 0.0 33,-0.5 0, 0.0 2,-0.3 0.035 73.7 66.5 -71.5 33.9 26.1 43.8 46.9 12 13 A F S S- 0 0 0 -2,-1.1 148,-0.2 31,-0.2 30,-0.2 -0.960 94.1 -71.8-149.2 162.8 24.2 40.8 48.4 13 14 A A > - 0 0 24 146,-1.7 3,-1.0 -2,-0.3 6,-0.3 -0.165 58.1 -97.6 -56.8 144.2 24.7 37.1 49.3 14 15 A A T 3 S+ 0 0 55 1,-0.2 -1,-0.1 27,-0.1 4,-0.0 -0.255 104.4 36.4 -58.0 147.9 24.8 34.6 46.5 15 16 A G T 3 S+ 0 0 40 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.408 93.6 107.9 90.9 -2.0 21.6 32.7 45.6 16 17 A G S <> S- 0 0 0 -3,-1.0 4,-2.2 -4,-0.1 -1,-0.3 -0.204 86.4 -77.0 -98.9-168.5 19.2 35.6 46.2 17 18 A P H > S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.910 126.8 41.2 -62.6 -49.2 17.2 37.9 43.9 18 19 A T H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.880 114.3 53.7 -69.7 -36.5 19.9 40.2 42.6 19 20 A D H > S+ 0 0 8 -6,-0.3 4,-2.8 2,-0.2 5,-0.2 0.889 106.2 53.8 -60.1 -40.2 22.3 37.4 42.2 20 21 A N H X S+ 0 0 32 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.919 111.9 43.8 -61.1 -45.0 19.7 35.5 40.1 21 22 A V H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 5,-0.2 0.943 114.3 51.3 -62.8 -47.5 19.4 38.5 37.8 22 23 A A H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.896 108.7 48.2 -60.7 -44.5 23.2 39.0 37.7 23 24 A R H X S+ 0 0 119 -4,-2.8 4,-1.4 2,-0.2 -1,-0.2 0.881 113.8 46.6 -71.6 -33.2 24.1 35.5 36.8 24 25 A S H X S+ 0 0 29 -4,-1.5 4,-1.9 -5,-0.2 -1,-0.2 0.917 115.5 46.4 -69.3 -42.7 21.5 35.3 34.0 25 26 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.875 106.0 59.2 -66.0 -39.6 22.6 38.7 32.6 26 27 A A H X S+ 0 0 9 -4,-2.9 4,-0.8 -5,-0.2 11,-0.3 0.911 109.3 45.5 -54.6 -41.8 26.3 37.7 32.9 27 28 A E H < S+ 0 0 105 -4,-1.4 3,-0.5 1,-0.2 -1,-0.2 0.905 112.6 48.9 -68.3 -43.4 25.6 34.8 30.5 28 29 A S H < S+ 0 0 8 -4,-1.9 4,-0.3 1,-0.2 -2,-0.2 0.753 108.3 53.7 -72.9 -24.9 23.5 36.9 28.0 29 30 A X H >X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 3,-0.6 0.718 87.2 86.2 -78.3 -22.8 26.1 39.7 27.8 30 31 A R H 3X S+ 0 0 148 -4,-0.8 4,-2.5 -3,-0.5 5,-0.5 0.827 80.9 54.2 -52.7 -48.8 29.0 37.4 26.9 31 32 A P H 34 S+ 0 0 68 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.883 119.9 33.5 -56.5 -40.2 28.5 37.1 23.0 32 33 A T H <4 S+ 0 0 35 -3,-0.6 -2,-0.2 -4,-0.3 213,-0.1 0.860 116.4 53.5 -85.2 -38.1 28.6 40.9 22.6 33 34 A L H < S- 0 0 2 -4,-2.8 -3,-0.2 2,-0.2 -1,-0.1 0.893 94.9-142.3 -61.4 -39.2 31.0 41.8 25.4 34 35 A G S < S+ 0 0 54 -4,-2.5 2,-0.3 1,-0.3 -4,-0.1 0.634 72.5 69.4 81.7 14.7 33.5 39.3 24.0 35 36 A E S S- 0 0 49 -5,-0.5 -1,-0.3 -6,-0.1 -2,-0.2 -0.968 89.7 -94.4-152.2 160.0 34.6 38.2 27.4 36 37 A T - 0 0 45 -2,-0.3 -30,-2.1 -3,-0.1 2,-0.5 -0.455 30.9-137.1 -73.3 148.6 33.1 36.3 30.4 37 38 A V E -a 6 0A 18 -11,-0.3 2,-0.6 -32,-0.2 -30,-0.2 -0.959 15.4-154.1-107.6 125.9 31.4 38.3 33.2 38 39 A V E -a 7 0A 64 -32,-2.8 -30,-2.9 -2,-0.5 2,-0.3 -0.904 9.2-140.5-105.5 118.2 32.3 37.0 36.7 39 40 A V E -a 8 0A 17 -2,-0.6 2,-0.4 -32,-0.2 -30,-0.2 -0.606 16.8-168.8 -80.0 130.9 29.7 37.7 39.4 40 41 A E E -a 9 0A 57 -32,-2.9 -30,-3.2 -2,-0.3 2,-0.6 -0.987 11.4-146.0-120.2 129.9 31.1 38.7 42.8 41 42 A N E +a 10 0A 30 -2,-0.4 2,-0.3 -32,-0.2 -28,-0.1 -0.852 21.5 171.4-100.1 122.0 28.9 38.8 45.9 42 43 A K - 0 0 84 -32,-2.7 8,-0.5 -2,-0.6 11,-0.1 -0.720 13.3-178.6-132.7 81.5 29.7 41.5 48.4 43 44 A G + 0 0 27 -2,-0.3 -31,-0.2 -31,-0.1 2,-0.1 -0.324 22.7 101.2 -81.5 161.3 27.0 41.6 51.1 44 45 A G > > + 0 0 11 -33,-0.5 3,-1.6 115,-0.2 5,-1.3 -0.292 67.8 23.9 136.9 143.9 26.7 44.0 54.1 45 46 A A G > 5S- 0 0 45 1,-0.3 3,-1.8 2,-0.2 88,-0.1 0.827 125.1 -57.8 45.7 47.8 24.9 47.1 55.2 46 47 A G G 3 5S- 0 0 2 86,-0.5 -1,-0.3 1,-0.3 87,-0.1 0.672 105.1 -50.0 66.5 21.2 21.9 46.7 52.9 47 48 A G G <>5S+ 0 0 0 -3,-1.6 4,-2.2 -36,-0.1 -1,-0.3 0.280 113.3 111.1 101.0 -8.8 24.1 46.7 49.7 48 49 A T H <>5S+ 0 0 7 -3,-1.8 4,-2.5 86,-0.3 -3,-0.2 0.832 73.5 56.1 -71.1 -30.3 26.1 49.9 50.6 49 50 A I H > S+ 0 0 0 -8,-0.5 4,-1.8 -6,-0.4 -2,-0.2 0.910 115.0 50.1 -64.7 -42.2 29.2 46.4 47.6 51 52 A T H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.926 111.5 48.9 -61.6 -44.1 28.1 49.7 46.0 52 53 A T H X S+ 0 0 25 -4,-2.5 4,-2.0 29,-0.2 -1,-0.2 0.875 104.5 60.2 -63.0 -40.0 31.0 51.5 47.8 53 54 A Q H < S+ 0 0 77 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.919 109.3 41.6 -55.1 -47.8 33.4 48.8 46.6 54 55 A V H >< S+ 0 0 0 -4,-1.8 3,-1.3 1,-0.2 -1,-0.2 0.900 109.4 58.9 -68.5 -38.1 32.7 49.6 43.0 55 56 A A H 3< S+ 0 0 24 -4,-2.3 177,-0.2 1,-0.3 -1,-0.2 0.869 113.9 39.2 -55.8 -34.8 32.6 53.4 43.7 56 57 A R T 3< S+ 0 0 214 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.376 96.7 108.1 -95.6 0.9 36.2 53.0 44.9 57 58 A A S < S- 0 0 23 -3,-1.3 -3,-0.1 -4,-0.3 6,-0.0 -0.338 85.4 -79.9 -79.9 161.1 37.4 50.5 42.2 58 59 A Q - 0 0 142 1,-0.1 2,-1.8 -2,-0.1 3,-0.5 -0.379 39.8-129.0 -58.7 130.9 39.7 51.2 39.3 59 60 A P S S+ 0 0 52 0, 0.0 -1,-0.1 0, 0.0 171,-0.0 -0.347 76.5 111.4 -79.7 57.8 37.8 53.0 36.5 60 61 A D S S- 0 0 53 -2,-1.8 -2,-0.1 174,-0.2 173,-0.0 0.433 90.4-107.2-110.3 -2.1 39.0 50.6 33.9 61 62 A G S S+ 0 0 0 -3,-0.5 3,-0.1 2,-0.3 173,-0.0 0.366 98.1 101.0 90.6 -3.4 35.7 48.8 33.0 62 63 A Y S S+ 0 0 20 -4,-0.2 -55,-2.6 1,-0.2 2,-0.4 0.486 78.2 54.2 -94.1 -2.7 36.8 45.5 34.8 63 64 A S E +b 7 0A 27 -5,-0.3 -2,-0.3 -57,-0.2 2,-0.3 -0.970 69.4 165.7-128.5 117.3 34.7 46.3 37.9 64 65 A I E -b 8 0A 0 -57,-2.9 -55,-3.2 -2,-0.4 2,-0.4 -0.883 26.8-128.9-128.1 160.9 31.0 47.0 37.4 65 66 A L E -bC 9 229A 0 164,-2.9 164,-1.9 -2,-0.3 2,-0.6 -0.922 11.1-168.8-114.2 131.2 28.1 47.2 39.7 66 67 A L E + C 0 228A 0 -57,-2.8 2,-0.3 -2,-0.4 162,-0.2 -0.974 33.3 152.2-111.5 113.6 24.7 45.5 39.5 67 68 A X E - C 0 227A 2 160,-2.0 160,-3.3 -2,-0.6 2,-0.1 -0.966 31.4-137.2-142.9 155.6 22.5 47.1 42.1 68 69 A H E > - C 0 226A 0 -2,-0.3 3,-3.0 158,-0.3 158,-0.2 -0.219 52.2 -62.0-104.1-169.2 18.8 47.8 42.6 69 70 A A T >> S+ 0 0 2 156,-1.4 3,-1.9 1,-0.3 4,-0.9 0.644 118.1 81.0 -52.1 -20.4 16.6 50.7 43.9 70 71 A G H 3> S+ 0 0 2 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.775 78.2 71.2 -56.2 -26.9 18.4 50.4 47.3 71 72 A F H <4 S+ 0 0 0 -3,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.854 103.7 41.4 -51.9 -37.1 21.1 52.5 45.5 72 73 A S H <4 S+ 0 0 0 -3,-1.9 -2,-0.2 -4,-0.2 -1,-0.2 0.629 114.5 49.2 -91.0 -18.5 18.6 55.3 45.8 73 74 A T H >< S+ 0 0 1 -4,-0.9 3,-2.2 62,-0.3 4,-0.4 0.853 96.0 69.7 -86.2 -38.2 17.3 54.7 49.3 74 75 A A G >X S+ 0 0 1 -4,-2.5 4,-1.9 61,-0.3 3,-1.9 0.821 88.7 62.6 -52.5 -39.9 20.7 54.4 51.1 75 76 A P G 34 S+ 0 0 19 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.711 108.3 44.4 -60.6 -18.7 21.6 58.1 50.7 76 77 A S G <4 S+ 0 0 15 -3,-2.2 -2,-0.2 -4,-0.1 3,-0.1 0.397 116.4 47.2 -98.1 -0.9 18.5 58.9 52.9 77 78 A L T <4 S+ 0 0 3 -3,-1.9 222,-1.8 -4,-0.4 2,-0.4 0.601 108.5 50.2-116.2 -21.1 19.3 56.2 55.4 78 79 A Y < - 0 0 35 -4,-1.9 -1,-0.2 220,-0.3 220,-0.1 -0.982 65.9-142.3-124.2 136.1 23.0 56.7 56.1 79 80 A K S S+ 0 0 162 220,-2.4 -1,-0.1 -2,-0.4 219,-0.1 0.890 107.9 13.8 -57.6 -41.0 24.8 59.8 57.0 80 81 A N + 0 0 132 219,-0.5 -1,-0.3 1,-0.1 4,-0.1 -0.776 66.7 178.4-137.3 97.8 27.5 58.4 54.8 81 82 A P - 0 0 16 0, 0.0 -29,-0.2 0, 0.0 3,-0.1 0.576 56.5-106.6 -71.4 -10.8 26.5 55.5 52.6 82 83 A G S S+ 0 0 33 1,-0.2 2,-0.3 -31,-0.1 -2,-0.0 0.282 91.6 54.6 104.2 -8.4 30.0 55.4 51.1 83 84 A Y S S- 0 0 14 -28,-0.0 -1,-0.2 -27,-0.0 -31,-0.1 -0.948 77.1-118.3-150.7 165.9 29.2 56.8 47.7 84 85 A E >> - 0 0 82 -2,-0.3 4,-2.7 1,-0.1 3,-0.7 -0.962 24.7-148.4-110.4 115.2 27.5 59.8 46.0 85 86 A P T 34 S+ 0 0 18 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.792 93.4 39.8 -63.5 -27.6 24.5 58.5 44.1 86 87 A Y T 34 S+ 0 0 116 1,-0.1 195,-0.1 2,-0.1 194,-0.0 0.659 130.7 20.7 -93.0 -18.5 24.7 61.2 41.3 87 88 A T T <4 S+ 0 0 71 -3,-0.7 -1,-0.1 3,-0.1 145,-0.0 0.594 96.1 82.4-128.3 -16.8 28.5 61.4 40.8 88 89 A S S < S+ 0 0 24 -4,-2.7 144,-2.3 143,-0.1 2,-0.3 0.693 97.9 36.4 -68.0 -15.6 30.3 58.3 42.1 89 90 A F E S-D 231 0A 9 -5,-0.3 143,-0.1 142,-0.3 144,-0.1 -0.861 70.8-124.5-133.9 158.6 29.6 56.3 38.9 90 91 A E E -D 230 0A 58 140,-2.8 140,-2.7 -2,-0.3 2,-0.1 -0.962 44.5-132.5 -94.8 113.1 29.3 56.4 35.2 91 92 A P E -D 229 0A 26 0, 0.0 138,-0.2 0, 0.0 3,-0.1 -0.423 24.7-175.3 -67.4 140.7 25.8 55.0 34.7 92 93 A I E - 0 0 0 136,-2.8 2,-0.3 1,-0.3 137,-0.2 0.799 50.4 -73.2 -99.6 -54.0 25.5 52.2 32.0 93 94 A G E -D 228 0A 0 135,-1.5 135,-2.2 180,-0.1 -1,-0.3 -0.942 44.1 -70.9 173.0 169.7 21.7 51.6 32.0 94 95 A L E -D 227 0A 6 176,-2.2 133,-0.2 178,-0.3 3,-0.1 -0.398 37.2-179.1 -75.3 161.5 18.6 50.1 33.5 95 96 A V E - 0 0 0 131,-2.3 172,-2.5 1,-0.4 2,-0.3 0.639 51.0 -16.1-129.5 -71.0 18.2 46.3 33.6 96 97 A V E - E 0 266A 0 130,-0.4 130,-2.2 170,-0.3 2,-0.4 -0.934 44.1-137.8-141.8 163.5 14.9 44.9 35.1 97 98 A D E -DE 225 265A 49 168,-2.7 168,-2.9 -2,-0.3 128,-0.3 -0.989 26.8-166.4-125.9 119.3 12.0 46.0 37.3 98 99 A V E -D 224 0A 0 126,-1.9 126,-3.2 -2,-0.4 166,-0.2 -0.915 9.3-143.0-115.9 127.5 11.1 43.4 39.9 99 100 A P E -D 223 0A 17 0, 0.0 81,-2.2 0, 0.0 82,-0.3 -0.335 19.6-127.6 -80.4 165.9 7.9 43.3 42.0 100 101 A X E -F 179 0B 0 122,-0.6 98,-2.0 79,-0.2 2,-0.4 -0.817 10.0-149.8-116.8 157.1 7.7 42.1 45.6 101 102 A T E -FG 178 197B 0 77,-3.0 77,-2.2 -2,-0.3 2,-0.6 -0.986 15.4-134.6-123.2 135.5 5.7 39.6 47.6 102 103 A I E +FG 177 196B 0 94,-2.4 93,-2.7 -2,-0.4 94,-0.9 -0.821 42.8 167.8 -84.8 117.7 4.7 39.7 51.3 103 104 A I E -FG 176 194B 0 73,-3.0 73,-2.6 -2,-0.6 2,-0.3 -0.848 20.4-165.4-130.1 165.0 5.4 36.2 52.5 104 105 A A E -FG 175 193B 0 89,-2.1 89,-2.3 -2,-0.3 71,-0.2 -0.935 41.9 -67.2-143.2 168.1 5.6 34.3 55.8 105 106 A R > - 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