==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 16-SEP-11 3TUA . COMPND 2 MOLECULE: BURKHOLDERIA LETHAL FACTOR 1 (BLF1); . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA PSEUDOMALLEI; . AUTHOR A.CRUZ,G.M.HAUTBERGUE,P.J.ARTYMIUK,P.J.BAKER,C.T.CHANG,N.M.M . 210 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9843.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 142 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 30.5 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 . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.9 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 . 18 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 0 0 0 1 0 0 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 2 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 PARALLEL BRIDGES PER LADDER . 2 1 3 4 1 0 1 0 1 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 1 0 0 1 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 P 0 0 161 0, 0.0 3,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 172.3 8.3 17.0 -31.9 2 3 A N - 0 0 126 1,-0.2 5,-0.1 2,-0.1 0, 0.0 -0.248 360.0 -57.8 -84.2-178.3 4.6 16.2 -32.1 3 4 A S > - 0 0 54 1,-0.1 4,-2.5 -2,-0.1 -1,-0.2 -0.192 50.9-114.1 -53.6 153.0 1.9 17.2 -29.7 4 5 A L H > S+ 0 0 9 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.895 118.6 55.8 -60.0 -34.9 2.3 16.1 -26.2 5 6 A E H > S+ 0 0 48 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.935 109.2 45.9 -62.2 -46.3 -0.7 13.9 -26.6 6 7 A A H > S+ 0 0 22 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.892 109.4 55.7 -63.9 -40.4 0.8 12.2 -29.6 7 8 A Q H X S+ 0 0 65 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.909 109.0 47.1 -60.1 -40.1 4.1 11.8 -27.7 8 9 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.948 111.7 49.6 -65.2 -47.6 2.4 10.0 -24.9 9 10 A R H X S+ 0 0 36 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.888 113.6 47.0 -59.2 -39.1 0.5 7.7 -27.3 10 11 A Q H X S+ 0 0 104 -4,-2.5 4,-2.3 2,-0.2 6,-0.2 0.908 110.0 52.1 -72.6 -36.8 3.7 6.9 -29.1 11 12 A A H X>S+ 0 0 7 -4,-2.4 5,-1.9 -5,-0.2 4,-1.3 0.914 110.3 49.5 -63.8 -43.7 5.7 6.2 -25.9 12 13 A M H <5S+ 0 0 3 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.957 115.8 41.4 -56.5 -54.2 3.0 3.8 -24.7 13 14 A K H <5S+ 0 0 104 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.817 118.8 44.8 -68.9 -30.8 2.9 1.9 -28.0 14 15 A T H <5S- 0 0 79 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.599 107.1-120.7 -90.0 -11.2 6.7 1.9 -28.5 15 16 A G T <5 + 0 0 32 -4,-1.3 -3,-0.2 -3,-0.4 -4,-0.1 0.863 60.0 150.9 70.4 37.8 7.6 1.0 -24.9 16 17 A S < - 0 0 59 -5,-1.9 182,-2.7 -6,-0.2 2,-0.6 -0.379 52.8 -98.3 -89.3 170.2 9.6 4.1 -24.4 17 18 A T + 0 0 86 180,-0.3 2,-0.3 -2,-0.1 180,-0.2 -0.859 54.8 146.0 -95.1 122.2 10.2 6.0 -21.1 18 19 A L - 0 0 17 -2,-0.6 26,-0.3 178,-0.3 2,-0.1 -0.841 33.9-146.5-152.0 109.3 7.9 9.0 -20.7 19 20 A T E -a 44 0A 35 24,-2.2 26,-2.6 -2,-0.3 2,-0.4 -0.420 3.8-145.0 -84.2 157.6 6.7 9.8 -17.2 20 21 A I E -a 45 0A 5 24,-0.2 2,-0.5 -2,-0.1 26,-0.2 -0.979 7.7-164.9-120.2 130.1 3.4 11.3 -16.2 21 22 A E E -a 46 0A 96 24,-2.2 26,-3.3 -2,-0.4 2,-0.5 -0.975 11.3-157.0-112.9 128.4 2.9 13.8 -13.4 22 23 A F E -a 47 0A 9 -2,-0.5 2,-0.4 24,-0.2 26,-0.2 -0.913 14.9-130.5-108.4 130.9 -0.7 14.4 -12.2 23 24 A D > - 0 0 65 24,-2.3 3,-2.4 -2,-0.5 4,-0.3 -0.624 20.6-132.3 -70.0 130.2 -2.0 17.4 -10.4 24 25 A Q G > S+ 0 0 113 -2,-0.4 3,-2.0 1,-0.3 4,-0.2 0.743 101.3 77.5 -56.8 -22.9 -3.9 16.3 -7.3 25 26 A A G > S+ 0 0 28 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 0.761 78.7 71.7 -56.2 -28.9 -6.7 18.7 -8.5 26 27 A L G X S+ 0 0 0 -3,-2.4 3,-2.0 1,-0.3 -1,-0.3 0.800 82.6 69.3 -61.1 -25.8 -7.6 16.1 -11.0 27 28 A N G < S+ 0 0 8 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.633 88.9 63.7 -74.4 -5.0 -9.0 13.9 -8.3 28 29 A Q G < S+ 0 0 115 -3,-1.9 2,-0.4 -4,-0.2 -1,-0.3 0.391 88.0 91.2 -92.7 2.4 -11.9 16.3 -7.8 29 30 A K S < S- 0 0 90 -3,-2.0 3,-0.1 -4,-0.1 5,-0.0 -0.814 82.9-114.1 -95.6 140.4 -13.0 15.6 -11.3 30 31 A S - 0 0 95 -2,-0.4 32,-0.2 1,-0.1 -2,-0.1 -0.265 38.2 -90.5 -65.5 154.8 -15.6 12.9 -12.0 31 32 A P S S+ 0 0 46 0, 0.0 2,-0.3 0, 0.0 32,-0.2 -0.290 90.4 57.6 -61.5 148.8 -14.8 9.7 -13.9 32 33 A G E S-B 62 0A 6 30,-2.2 30,-2.8 -3,-0.1 2,-0.1 -0.859 99.1 -9.7 128.8-160.4 -15.4 10.1 -17.6 33 34 A T E -B 61 0A 70 -2,-0.3 2,-0.3 28,-0.2 28,-0.2 -0.428 65.6-178.3 -71.1 150.6 -14.1 12.4 -20.3 34 35 A L E -B 60 0A 20 26,-2.5 26,-2.8 -2,-0.1 2,-0.6 -0.969 28.0-131.3-152.6 133.6 -12.2 15.4 -19.1 35 36 A N E +B 59 0A 108 -2,-0.3 2,-0.2 24,-0.2 24,-0.2 -0.797 41.9 163.1 -87.4 122.1 -10.5 18.4 -20.6 36 37 A V E -B 58 0A 1 22,-2.8 22,-2.3 -2,-0.6 2,-0.4 -0.730 35.4-117.2-126.3 174.8 -7.0 18.8 -19.3 37 38 A F E -BC 57 48A 53 11,-2.7 11,-2.5 20,-0.2 2,-0.4 -0.987 19.7-152.5-119.5 135.5 -3.8 20.6 -20.1 38 39 A L E -BC 56 47A 2 18,-2.6 18,-2.5 -2,-0.4 9,-0.2 -0.864 16.7-178.0-101.9 138.6 -0.6 18.8 -21.0 39 40 A H E - C 0 46A 0 7,-2.1 7,-2.6 -2,-0.4 2,-0.1 -0.979 32.8-100.8-134.9 150.8 2.8 20.4 -20.3 40 41 A P E + C 0 45A 70 0, 0.0 2,-0.3 0, 0.0 5,-0.2 -0.480 44.2 179.0 -68.3 143.2 6.4 19.4 -20.9 41 42 A A E > - C 0 44A 28 3,-2.4 3,-2.1 -2,-0.1 2,-0.6 -0.913 44.4 -75.4-137.4 157.8 8.1 18.1 -17.8 42 43 A N T 3 S- 0 0 171 -2,-0.3 3,-0.1 1,-0.3 -23,-0.1 -0.394 120.1 -7.9 -55.5 107.0 11.6 16.8 -17.1 43 44 A G T 3 S+ 0 0 54 -2,-0.6 -24,-2.2 1,-0.2 -1,-0.3 0.549 138.8 3.7 84.7 2.3 11.5 13.3 -18.6 44 45 A G E < S-aC 19 41A 13 -3,-2.1 -3,-2.4 -26,-0.3 2,-0.3 -0.821 87.6 -57.8-177.4-148.3 7.8 13.4 -19.3 45 46 A V E -aC 20 40A 2 -26,-2.6 -24,-2.2 -5,-0.2 2,-0.5 -0.976 28.5-142.3-134.7 140.7 4.5 15.3 -19.3 46 47 A R E -aC 21 39A 45 -7,-2.6 -7,-2.1 -2,-0.3 2,-0.5 -0.920 14.2-156.9-105.0 132.6 2.5 17.0 -16.5 47 48 A I E +aC 22 38A 0 -26,-3.3 -24,-2.3 -2,-0.5 2,-0.2 -0.944 34.6 127.3-110.1 124.2 -1.3 16.7 -16.7 48 49 A D E - C 0 37A 4 -11,-2.5 -11,-2.7 -2,-0.5 -26,-0.0 -0.775 67.7 -95.7-154.1-162.9 -3.2 19.4 -14.9 49 50 A L S S+ 0 0 70 -2,-0.2 2,-0.6 -13,-0.2 -11,-0.1 -0.076 82.1 112.0-119.0 28.5 -6.0 22.0 -15.2 50 51 A D - 0 0 76 -13,-0.2 -2,-0.1 1,-0.1 -14,-0.0 -0.901 50.1-163.6-107.2 117.6 -3.6 24.9 -15.9 51 52 A S + 0 0 84 -2,-0.6 4,-0.5 4,-0.1 -1,-0.1 0.627 69.0 80.7 -78.3 -6.1 -3.7 26.5 -19.4 52 53 A G > + 0 0 29 1,-0.1 3,-1.1 2,-0.1 -2,-0.1 0.279 61.4 59.5 -81.0-157.8 -0.3 28.2 -18.9 53 54 A N T 3 S- 0 0 95 1,-0.3 3,-0.1 2,-0.1 -1,-0.1 0.781 132.0 -48.7 32.3 60.2 3.3 26.9 -19.1 54 55 A Q T 3 S- 0 0 153 1,-0.2 -1,-0.3 -15,-0.1 2,-0.2 0.841 92.0-178.7 56.2 37.7 3.3 25.7 -22.8 55 56 A G < - 0 0 22 -3,-1.1 -16,-0.2 -4,-0.5 -1,-0.2 -0.446 19.6-161.0 -72.5 139.8 0.1 24.0 -22.1 56 57 A E E -B 38 0A 67 -18,-2.5 -18,-2.6 -2,-0.2 2,-0.1 -0.983 20.3-126.9-119.8 121.2 -1.7 22.0 -24.8 57 58 A P E +B 37 0A 97 0, 0.0 2,-0.3 0, 0.0 -20,-0.2 -0.452 33.3 174.2 -68.5 143.2 -5.3 21.2 -24.3 58 59 A A E -B 36 0A 7 -22,-2.3 -22,-2.8 -2,-0.1 2,-0.6 -0.988 29.4-136.6-143.8 148.0 -6.4 17.6 -24.6 59 60 A K E +B 35 0A 104 -2,-0.3 25,-0.4 -24,-0.2 2,-0.2 -0.934 39.0 167.0-104.7 117.8 -9.6 15.6 -24.0 60 61 A I E -B 34 0A 0 -26,-2.8 -26,-2.5 -2,-0.6 2,-0.5 -0.735 42.2-107.1-119.8 166.0 -8.9 12.4 -22.1 61 62 A L E -Bd 33 85A 0 23,-2.7 25,-2.3 -2,-0.2 2,-0.4 -0.896 44.5-163.5 -89.8 136.2 -10.7 9.7 -20.3 62 63 A W E -Bd 32 86A 0 -30,-2.8 -30,-2.2 -2,-0.5 25,-0.2 -0.955 22.2-173.1-129.5 139.1 -10.1 10.2 -16.6 63 64 A L E - d 0 87A 0 23,-1.6 25,-1.3 -2,-0.4 -33,-0.1 -0.941 21.8-149.5-129.1 106.4 -10.5 7.9 -13.5 64 65 A P - 0 0 0 0, 0.0 2,-0.4 0, 0.0 41,-0.2 -0.299 8.4-128.6 -71.3 162.3 -9.9 9.7 -10.2 65 66 A W - 0 0 61 5,-0.1 2,-0.4 41,-0.0 5,-0.1 -0.925 22.5-170.1-103.7 140.3 -8.5 8.1 -7.0 66 67 A K > - 0 0 62 -2,-0.4 3,-1.8 3,-0.3 41,-0.4 -0.999 29.2-108.0-135.0 130.6 -10.4 8.6 -3.7 67 68 A Q T 3 S+ 0 0 153 -2,-0.4 3,-0.1 1,-0.3 39,-0.0 -0.283 100.4 0.5 -57.6 131.2 -9.1 7.7 -0.3 68 69 A G T 3 S+ 0 0 44 1,-0.2 -1,-0.3 42,-0.0 2,-0.3 0.546 119.7 89.6 73.4 7.1 -10.8 4.6 1.2 69 70 A E S < S- 0 0 88 -3,-1.8 38,-2.6 41,-0.1 2,-0.4 -0.793 71.6-118.5-132.0 166.4 -13.0 4.2 -1.8 70 71 A L E -J 106 0B 7 -2,-0.3 2,-0.3 36,-0.2 36,-0.2 -0.841 24.4-162.8 -93.0 146.4 -13.5 2.7 -5.2 71 72 A Q E -J 105 0B 33 34,-1.8 34,-2.4 -2,-0.4 2,-0.4 -0.978 9.1-152.1-126.0 147.9 -13.9 4.9 -8.3 72 73 A T E -J 104 0B 42 -2,-0.3 2,-0.7 32,-0.2 32,-0.2 -0.970 14.4-154.7-129.5 125.2 -15.4 3.6 -11.5 73 74 A L E -J 103 0B 0 30,-3.1 30,-1.7 -2,-0.4 -10,-0.1 -0.869 28.5-140.9 -87.4 115.4 -14.9 4.6 -15.2 74 75 A Q > - 0 0 123 -2,-0.7 3,-1.7 28,-0.2 4,-0.2 -0.588 10.3-128.3 -79.5 140.3 -18.1 3.4 -16.9 75 76 A P G > S+ 0 0 20 0, 0.0 3,-1.8 0, 0.0 106,-0.4 0.734 100.9 73.0 -66.6 -20.7 -17.6 1.9 -20.3 76 77 A G G 3 S+ 0 0 59 1,-0.3 105,-0.1 104,-0.1 25,-0.0 0.747 88.1 65.3 -66.7 -15.9 -20.2 4.1 -22.0 77 78 A S G < S+ 0 0 38 -3,-1.7 2,-0.7 104,-0.1 -1,-0.3 0.685 84.8 88.4 -67.9 -22.9 -17.7 7.0 -21.6 78 79 A I < + 0 0 2 -3,-1.8 103,-2.7 -4,-0.2 104,-0.1 -0.701 46.5 110.5 -92.4 111.6 -15.3 5.2 -24.0 79 80 A S + 0 0 74 -2,-0.7 2,-0.7 101,-0.2 -1,-0.2 0.568 40.9 90.5-148.6 -40.7 -15.9 6.0 -27.7 80 81 A T S > S- 0 0 75 1,-0.1 3,-2.2 99,-0.1 97,-0.3 -0.652 71.8-125.0 -86.3 112.4 -13.2 8.1 -29.5 81 82 A V T 3 S+ 0 0 90 -2,-0.7 97,-0.2 1,-0.3 3,-0.1 -0.229 93.0 13.9 -56.6 136.6 -10.5 6.1 -31.1 82 83 A D T 3 S+ 0 0 73 95,-2.9 -1,-0.3 1,-0.3 96,-0.1 0.280 87.5 142.2 77.2 -3.1 -7.0 7.1 -30.0 83 84 A M < - 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L 0 136B 1 4,-2.7 3,-2.7 -2,-0.4 2,-0.4 -0.807 32.2-113.0 -91.4 136.3 -12.8 -5.6 -17.6 99 100 A D T 3 S+ 0 0 44 36,-3.0 36,-0.3 -2,-0.4 83,-0.1 -0.497 107.3 4.7 -72.2 120.5 -12.2 -5.8 -21.3 100 101 A G T 3 S+ 0 0 19 -2,-0.4 -1,-0.3 1,-0.3 82,-0.1 0.547 129.6 81.4 76.8 10.9 -15.1 -4.0 -22.9 101 102 A G S < S- 0 0 3 -3,-2.7 -1,-0.3 1,-0.2 -28,-0.0 -0.464 87.4 -51.9-127.3-163.7 -16.2 -3.2 -19.3 102 103 A P - 0 0 0 0, 0.0 -4,-2.7 0, 0.0 2,-0.4 -0.193 38.4-136.0 -71.2 164.5 -15.5 -0.7 -16.5 103 104 A V E -JK 73 97B 2 -30,-1.7 -30,-3.1 -6,-0.2 2,-0.4 -0.997 19.9-162.4-117.1 132.1 -12.2 0.2 -14.9 104 105 A W E -JK 72 96B 3 -8,-3.1 -8,-2.2 -2,-0.4 2,-0.6 -0.932 11.6-161.4-114.8 136.8 -12.1 0.5 -11.2 105 106 A H E -JK 71 95B 1 -34,-2.4 -34,-1.8 -2,-0.4 2,-0.5 -0.982 17.8-170.2-113.6 113.5 -9.4 2.2 -9.1 106 107 A I E -JK 70 94B 0 -12,-2.5 -12,-2.5 -2,-0.6 -36,-0.2 -0.923 21.9-119.4-111.3 126.1 -9.6 0.9 -5.5 107 108 A D > - 0 0 16 -38,-2.6 3,-1.5 -2,-0.5 -14,-0.1 -0.227 31.0-105.4 -63.6 154.3 -7.6 2.5 -2.7 108 109 A A T 3 S+ 0 0 19 1,-0.3 -1,-0.1 -17,-0.1 -16,-0.1 0.799 112.1 51.4 -45.5 -51.5 -5.1 0.4 -0.9 109 110 A P T 3 S+ 0 0 79 0, 0.0 2,-0.6 0, 0.0 -1,-0.3 0.564 79.5 105.8 -77.5 -7.8 -6.9 -0.3 2.4 110 111 A V S < S- 0 0 16 -3,-1.5 -41,-0.1 -41,-0.1 5,-0.0 -0.604 75.3-126.7 -73.5 115.7 -10.1 -1.6 0.9 111 112 A E > - 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