==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 10-JUN-10 2KZ0 . COMPND 2 MOLECULE: BOLA FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: EHRLICHIA CHAFFEENSIS; . AUTHOR G.W.BUCHKO,SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS . 76 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6356.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 57 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 9.2 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 . 21 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 22.4 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+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 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 P 0 0 170 0, 0.0 2,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 167.5 -10.6 4.2 1.2 2 2 A G + 0 0 70 2,-0.0 2,-1.3 0, 0.0 3,-0.2 -0.801 360.0 43.4 97.5-110.3 -8.2 3.6 -1.6 3 3 A S + 0 0 90 -2,-0.8 4,-0.0 1,-0.2 3,-0.0 -0.620 54.6 168.2 -78.2 95.1 -9.8 2.7 -4.9 4 4 A M S S+ 0 0 148 -2,-1.3 2,-0.8 1,-0.2 -1,-0.2 0.818 76.8 59.1 -73.0 -33.3 -12.7 5.1 -5.1 5 5 A T S S- 0 0 126 -3,-0.2 2,-0.2 0, 0.0 -1,-0.2 -0.881 92.6-148.1 -94.1 109.7 -13.0 4.0 -8.7 6 6 A V > - 0 0 76 -2,-0.8 3,-0.6 1,-0.1 2,-0.2 -0.545 3.1-132.3 -87.3 141.5 -13.5 0.2 -8.4 7 7 A T T 3 S+ 0 0 121 -2,-0.2 5,-0.1 1,-0.2 -1,-0.1 -0.534 93.6 30.0 -83.4 158.7 -12.3 -2.3 -10.9 8 8 A Q T 3> S+ 0 0 62 -2,-0.2 4,-2.5 3,-0.1 3,-0.3 0.780 79.6 151.4 59.1 28.2 -14.7 -5.1 -12.2 9 9 A S H <> + 0 0 55 -3,-0.6 4,-3.2 1,-0.3 5,-0.2 0.851 65.1 53.3 -59.7 -39.0 -17.3 -2.4 -11.5 10 10 A Q H > S+ 0 0 160 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.867 109.4 49.7 -65.5 -35.2 -19.6 -3.8 -14.2 11 11 A L H > S+ 0 0 75 -3,-0.3 4,-1.9 2,-0.2 5,-0.3 0.941 115.1 42.6 -67.4 -48.8 -19.4 -7.2 -12.6 12 12 A E H X S+ 0 0 65 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.970 119.4 43.9 -59.1 -54.3 -20.2 -5.8 -9.1 13 13 A L H X S+ 0 0 102 -4,-3.2 4,-2.3 1,-0.2 5,-0.3 0.879 111.1 54.2 -61.1 -43.2 -22.9 -3.5 -10.5 14 14 A L H X S+ 0 0 109 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.945 115.5 36.6 -60.8 -50.8 -24.5 -6.1 -12.8 15 15 A I H X S+ 0 0 23 -4,-1.9 4,-3.2 2,-0.2 7,-0.2 0.869 115.3 55.6 -72.3 -35.5 -25.0 -8.7 -10.1 16 16 A R H < S+ 0 0 74 -4,-2.5 6,-0.2 -5,-0.3 -1,-0.2 0.870 115.8 37.8 -63.9 -38.2 -25.9 -6.1 -7.4 17 17 A N H < S+ 0 0 123 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.810 117.5 50.4 -83.6 -32.7 -28.6 -4.7 -9.6 18 18 A A H < S+ 0 0 60 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.934 127.9 21.9 -68.9 -47.2 -29.7 -8.1 -11.0 19 19 A F >< - 0 0 70 -4,-3.2 3,-1.9 -5,-0.2 -1,-0.3 -0.904 66.9-171.4-124.9 101.9 -29.9 -9.6 -7.5 20 20 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.771 90.7 52.4 -62.1 -26.3 -30.4 -6.9 -4.7 21 21 A E T 3 S+ 0 0 129 2,-0.1 22,-0.7 21,-0.0 2,-0.5 0.169 89.5 106.0 -96.6 16.0 -29.9 -9.6 -2.1 22 22 A A E < -A 42 0A 2 -3,-1.9 2,-0.7 -7,-0.2 20,-0.3 -0.845 60.4-148.3-100.6 131.8 -26.6 -10.8 -3.7 23 23 A E E -A 41 0A 97 18,-3.2 18,-2.8 -2,-0.5 2,-0.8 -0.882 12.2-149.3 -98.0 114.9 -23.3 -10.0 -2.1 24 24 A I E -A 40 0A 14 -2,-0.7 2,-0.5 16,-0.2 16,-0.2 -0.759 17.6-178.0 -88.3 111.4 -20.6 -9.6 -4.8 25 25 A T E -A 39 0A 60 14,-3.0 14,-3.6 -2,-0.8 2,-0.6 -0.951 20.9-139.2-110.3 124.2 -17.2 -10.7 -3.4 26 26 A V E -A 38 0A 70 -2,-0.5 2,-0.9 12,-0.2 12,-0.2 -0.722 13.5-147.0 -83.1 120.7 -14.2 -10.4 -5.7 27 27 A T E -A 37 0A 37 10,-2.8 10,-1.8 -2,-0.6 2,-0.6 -0.785 20.1-175.4 -93.5 105.2 -12.0 -13.4 -5.3 28 28 A S - 0 0 84 -2,-0.9 2,-0.3 8,-0.2 8,-0.1 -0.890 18.9-143.0-108.6 117.9 -8.4 -12.3 -5.8 29 29 A L - 0 0 74 -2,-0.6 2,-1.7 6,-0.2 4,-0.2 -0.609 33.7-109.5 -73.1 135.9 -5.5 -14.7 -5.8 30 30 A V S S+ 0 0 158 -2,-0.3 2,-0.1 2,-0.1 -1,-0.1 -0.513 92.8 55.1 -75.3 87.9 -2.5 -13.2 -4.1 31 31 A G S > S- 0 0 34 -2,-1.7 2,-2.4 3,-0.1 3,-1.1 -0.199 84.3-114.8 149.7 118.2 -0.3 -12.7 -7.1 32 32 A D T 3 S+ 0 0 143 1,-0.2 3,-0.1 -2,-0.1 -2,-0.1 -0.449 97.1 74.5 -73.9 76.2 -0.7 -10.9 -10.4 33 33 A N T 3 S+ 0 0 154 -2,-2.4 -1,-0.2 1,-0.4 2,-0.2 0.333 81.9 63.5-145.5 -43.8 -0.5 -14.0 -12.7 34 34 A N S < S- 0 0 101 -3,-1.1 -1,-0.4 1,-0.1 2,-0.1 -0.503 87.2-102.6 -89.6 157.5 -3.8 -15.8 -12.3 35 35 A H - 0 0 159 -2,-0.2 2,-0.4 -3,-0.1 -6,-0.2 -0.440 37.0-117.2 -75.3 154.9 -7.2 -14.5 -13.2 36 36 A Y - 0 0 67 -2,-0.1 -8,-0.2 -8,-0.1 2,-0.1 -0.801 25.3-141.3-103.8 134.9 -9.5 -13.3 -10.4 37 37 A S E -A 27 0A 13 -10,-1.8 -10,-2.8 -2,-0.4 2,-0.5 -0.380 7.2-129.1 -91.7 165.5 -12.8 -15.0 -9.7 38 38 A I E -Ab 26 71A 14 32,-2.6 34,-3.0 -12,-0.2 2,-0.6 -0.975 16.7-155.9-118.2 126.7 -16.1 -13.6 -8.7 39 39 A K E -Ab 25 72A 87 -14,-3.6 -14,-3.0 -2,-0.5 2,-0.8 -0.901 2.6-158.0-108.4 117.0 -17.9 -15.0 -5.7 40 40 A V E -Ab 24 73A 4 32,-2.6 34,-1.5 -2,-0.6 2,-1.0 -0.824 7.3-173.5-100.1 105.0 -21.7 -14.6 -5.5 41 41 A I E +A 23 0A 74 -18,-2.8 -18,-3.2 -2,-0.8 2,-0.4 -0.820 28.1 144.5 -98.2 96.2 -23.0 -14.8 -2.0 42 42 A S E > -A 22 0A 8 -2,-1.0 3,-2.0 -20,-0.3 4,-0.3 -0.997 54.5-140.8-140.1 134.7 -26.8 -14.8 -2.4 43 43 A S G > S+ 0 0 61 -22,-0.7 3,-0.8 -2,-0.4 -21,-0.1 0.700 101.2 74.8 -63.1 -18.7 -29.6 -16.5 -0.6 44 44 A Q G 3 S+ 0 0 79 1,-0.3 -1,-0.3 -23,-0.2 -22,-0.1 0.744 102.2 40.3 -64.4 -23.1 -31.2 -16.9 -4.0 45 45 A F G X S+ 0 0 11 -3,-2.0 3,-0.7 2,-0.1 2,-0.3 0.451 94.9 107.1-101.3 -4.1 -28.6 -19.7 -4.6 46 46 A Q T < S+ 0 0 105 -3,-0.8 3,-0.1 -4,-0.3 29,-0.1 -0.576 79.2 24.0 -84.8 136.6 -28.9 -21.0 -1.0 47 47 A G T 3 S+ 0 0 63 1,-0.4 -1,-0.2 -2,-0.3 2,-0.2 -0.002 97.1 115.1 98.1 -28.2 -30.6 -24.4 -0.6 48 48 A K < - 0 0 85 -3,-0.7 -1,-0.4 1,-0.1 28,-0.4 -0.528 68.6-122.6 -72.6 139.3 -29.8 -25.2 -4.2 49 49 A S > - 0 0 68 -2,-0.2 4,-2.6 -3,-0.1 3,-0.2 -0.322 31.9 -98.7 -74.9 166.7 -27.5 -28.1 -4.8 50 50 A K H > S+ 0 0 117 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.850 125.0 55.7 -56.6 -35.4 -24.2 -27.6 -6.7 51 51 A L H > S+ 0 0 113 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.931 109.1 45.6 -64.2 -45.2 -25.9 -29.0 -9.8 52 52 A E H > S+ 0 0 73 -3,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.922 114.3 49.1 -61.7 -45.6 -28.7 -26.4 -9.6 53 53 A Q H X S+ 0 0 7 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.912 109.5 52.0 -61.7 -43.5 -26.1 -23.7 -8.9 54 54 A H H X S+ 0 0 92 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.927 111.4 47.4 -58.8 -46.4 -24.0 -24.8 -11.9 55 55 A R H X S+ 0 0 194 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.893 110.1 52.2 -60.3 -41.5 -27.1 -24.7 -14.1 56 56 A M H X S+ 0 0 81 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.860 107.1 52.6 -66.6 -34.5 -28.0 -21.3 -12.8 57 57 A I H X S+ 0 0 12 -4,-2.3 4,-3.1 1,-0.2 -1,-0.2 0.912 107.9 51.5 -62.4 -42.6 -24.5 -20.1 -13.6 58 58 A Y H < S+ 0 0 87 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.808 109.1 53.3 -61.7 -31.8 -25.1 -21.5 -17.1 59 59 A K H >< S+ 0 0 134 -4,-1.7 3,-1.1 2,-0.2 -2,-0.2 0.975 116.0 34.7 -65.5 -57.2 -28.3 -19.4 -17.1 60 60 A V H 3< S+ 0 0 82 -4,-2.5 3,-0.3 1,-0.3 -2,-0.2 0.892 127.7 38.7 -69.9 -38.7 -26.7 -16.1 -16.2 61 61 A L T >< S+ 0 0 62 -4,-3.1 3,-2.2 -5,-0.2 -1,-0.3 -0.119 74.9 135.1-101.6 37.4 -23.4 -16.8 -18.2 62 62 A D T < + 0 0 125 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.648 57.8 75.8 -62.5 -14.2 -25.3 -18.4 -21.0 63 63 A G T 3 S+ 0 0 75 -3,-0.3 2,-0.3 -4,-0.1 -1,-0.3 0.674 102.8 36.3 -71.9 -16.3 -23.2 -16.4 -23.4 64 64 A L S < S- 0 0 122 -3,-2.2 2,-1.3 -6,-0.1 -1,-0.1 -0.981 86.9-112.8-137.2 147.5 -20.2 -18.7 -22.8 65 65 A N - 0 0 140 -2,-0.3 2,-1.1 1,-0.1 -3,-0.1 -0.671 37.8-147.5 -79.1 94.5 -19.8 -22.4 -22.1 66 66 A I + 0 0 32 -2,-1.3 -8,-0.1 -5,-0.2 -1,-0.1 -0.515 49.2 135.6 -72.6 97.8 -18.7 -22.2 -18.5 67 67 A H + 0 0 158 -2,-1.1 2,-0.3 2,-0.0 -1,-0.2 0.061 58.5 74.8-123.7 20.1 -16.3 -25.1 -18.0 68 68 A A S S- 0 0 70 3,-0.0 2,-1.0 -3,-0.0 3,-0.5 -0.962 91.0-101.9-134.6 149.4 -13.7 -23.1 -16.1 69 69 A I S S+ 0 0 129 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 -0.594 73.9 117.0 -75.7 101.0 -13.6 -21.6 -12.6 70 70 A Q S S+ 0 0 85 -2,-1.0 -32,-2.6 1,-0.4 2,-0.5 0.530 70.4 44.4-129.7 -41.5 -14.5 -18.0 -13.0 71 71 A I E -b 38 0A 21 -3,-0.5 2,-0.5 -34,-0.2 -1,-0.4 -0.951 66.3-168.5-113.4 121.5 -17.7 -17.6 -11.1 72 72 A Q E -b 39 0A 81 -34,-3.0 -32,-2.6 -2,-0.5 2,-0.2 -0.947 7.3-160.2-111.5 125.7 -18.0 -19.2 -7.6 73 73 A T E -b 40 0A 17 -2,-0.5 2,-1.8 -34,-0.2 -32,-0.2 -0.583 38.0 -86.0-100.1 162.6 -21.4 -19.4 -6.0 74 74 A G - 0 0 23 -34,-1.5 2,-0.6 -2,-0.2 -1,-0.1 -0.510 50.0-168.4 -69.0 85.9 -22.3 -19.9 -2.3 75 75 A C 0 0 79 -2,-1.8 -26,-0.1 -29,-0.1 -29,-0.1 -0.695 360.0 360.0 -80.9 118.6 -22.2 -23.6 -2.2 76 76 A K 0 0 209 -2,-0.6 -29,-0.1 -28,-0.4 -26,-0.1 -0.854 360.0 360.0-107.3 360.0 -23.7 -24.9 1.0