==== 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 LYASE 30-SEP-09 3K2X . COMPND 2 MOLECULE: 2-C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE SYNT . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA PSEUDOMALLEI; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 454 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15844.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 313 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 21.1 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 . 3 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 . 25 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 25.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.6 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 6 0 0 0 0 0 0 0 2 3 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 5 1 0 0 0 0 2 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 5 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 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 M 0 0 96 0, 0.0 2,-1.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -9.5 9.6 -59.4 -20.7 2 2 A D + 0 0 34 153,-0.5 153,-2.6 2,-0.0 2,-0.1 -0.506 360.0 171.0 -91.8 73.9 9.1 -56.1 -22.5 3 3 A F E -A 154 0A 7 -2,-1.7 2,-0.3 151,-0.2 151,-0.3 -0.475 10.0-175.2 -84.4 151.2 11.0 -53.8 -20.1 4 4 A R E -A 153 0A 5 149,-2.3 149,-2.4 -2,-0.1 2,-0.3 -0.994 12.1-143.8-143.5 149.0 11.7 -50.1 -20.8 5 5 A I E -A 152 0A 5 -2,-0.3 2,-0.3 147,-0.2 147,-0.2 -0.849 12.8-172.9-114.3 150.0 13.7 -47.5 -19.0 6 6 A G E -A 151 0A 1 145,-2.5 145,-2.3 -2,-0.3 2,-0.3 -0.951 5.1-160.1-132.7 158.0 13.1 -43.7 -18.7 7 7 A Q E -A 150 0A 20 -2,-0.3 2,-0.3 143,-0.2 143,-0.2 -0.974 7.3-166.0-137.5 154.1 15.0 -40.8 -17.2 8 8 A G E -A 149 0A 2 141,-2.3 141,-2.2 -2,-0.3 2,-0.3 -0.980 7.5-172.2-145.4 151.8 14.0 -37.4 -16.0 9 9 A Y E +A 148 0A 4 -2,-0.3 2,-0.3 139,-0.2 139,-0.2 -0.994 10.9 166.4-141.8 139.1 15.5 -34.0 -15.1 10 10 A D E -A 147 0A 2 137,-2.3 137,-2.2 -2,-0.3 2,-0.3 -0.990 7.9-179.6-149.4 154.3 14.0 -30.9 -13.7 11 11 A V E -A 146 0A 0 -2,-0.3 2,-0.3 135,-0.2 135,-0.2 -0.980 3.2-177.5-147.8 142.4 15.2 -27.6 -12.0 12 12 A H E -A 145 0A 10 133,-1.9 133,-2.2 -2,-0.3 2,-0.1 -0.988 30.1-109.5-134.7 151.7 13.4 -24.6 -10.6 13 13 A Q E -A 144 0A 58 21,-0.4 21,-2.6 -2,-0.3 2,-0.5 -0.456 28.0-128.2 -71.4 146.2 14.5 -21.3 -9.1 14 14 A L E +E 33 0B 13 129,-2.2 19,-0.2 19,-0.2 -1,-0.0 -0.889 37.8 170.4 -96.5 126.0 14.1 -20.7 -5.4 15 15 A V E > -E 32 0B 26 17,-3.1 17,-2.7 -2,-0.5 3,-0.8 -0.935 35.6-101.0-133.1 155.5 12.3 -17.4 -4.7 16 16 A P E 3 S+E 31 0B 106 0, 0.0 15,-0.2 0, 0.0 14,-0.1 -0.405 99.7 33.0 -68.4 153.4 10.8 -15.7 -1.7 17 17 A G T 3 S+ 0 0 80 13,-0.8 14,-0.1 1,-0.2 13,-0.0 0.454 92.2 103.4 89.2 1.1 7.0 -15.7 -1.3 18 18 A R S < S- 0 0 70 -3,-0.8 -1,-0.2 12,-0.1 16,-0.1 -0.904 75.5-109.0-112.6 143.3 6.2 -19.2 -2.8 19 19 A P - 0 0 77 0, 0.0 2,-0.8 0, 0.0 14,-0.8 -0.436 30.6-125.6 -61.7 142.3 5.4 -22.4 -0.9 20 20 A L E +F 27 0C 2 7,-0.5 7,-3.0 12,-0.3 2,-0.5 -0.875 38.6 171.6 -93.1 109.5 8.2 -25.0 -1.0 21 21 A I E +F 26 0C 25 -2,-0.8 2,-0.4 17,-0.3 20,-0.4 -0.973 5.2 162.3-126.6 115.0 6.6 -28.2 -2.3 22 22 A I E > S-F 25 0C 0 3,-2.0 3,-1.8 -2,-0.5 18,-0.1 -0.995 74.1 -0.8-134.6 130.2 8.8 -31.2 -3.2 23 23 A G T 3 S- 0 0 0 -2,-0.4 91,-0.2 1,-0.3 92,-0.2 0.829 129.9 -63.2 60.8 28.3 7.5 -34.8 -3.6 24 24 A G T 3 S+ 0 0 22 1,-0.2 2,-0.5 90,-0.1 -1,-0.3 0.444 110.3 126.6 74.5 0.7 4.0 -33.3 -2.7 25 25 A V E < -F 22 0C 20 -3,-1.8 -3,-2.0 82,-0.0 2,-0.7 -0.799 58.6-139.2 -93.1 125.0 5.3 -32.3 0.7 26 26 A T E -F 21 0C 96 -2,-0.5 -5,-0.2 -5,-0.2 -3,-0.0 -0.764 25.6-160.4 -79.2 116.3 4.9 -28.7 1.9 27 27 A I E -F 20 0C 4 -7,-3.0 -7,-0.5 -2,-0.7 2,-0.2 -0.886 22.7-113.1-107.2 125.6 8.2 -28.0 3.6 28 28 A P + 0 0 107 0, 0.0 2,-0.3 0, 0.0 -1,-0.0 -0.398 62.9 132.9 -59.4 123.1 8.5 -25.1 6.1 29 29 A Y - 0 0 60 -2,-0.2 -9,-0.2 73,-0.1 -2,-0.0 -0.920 63.8-121.8-174.7 146.1 10.9 -22.6 4.4 30 30 A E S S+ 0 0 161 -2,-0.3 -13,-0.8 -11,-0.1 2,-0.3 0.525 97.5 42.1 -76.6 -10.7 11.2 -18.9 3.6 31 31 A R E -E 16 0B 64 -15,-0.2 2,-0.3 -14,-0.1 -11,-0.1 -0.893 67.0-165.6-128.9 161.9 11.4 -19.5 -0.1 32 32 A G E -E 15 0B 0 -17,-2.7 -17,-3.1 -2,-0.3 2,-0.3 -0.869 33.9 -79.8-139.1 177.8 9.7 -21.8 -2.6 33 33 A L E -E 14 0B 0 -14,-0.8 2,-0.5 -2,-0.3 -19,-0.2 -0.613 39.8-134.0 -85.1 137.8 10.1 -23.1 -6.2 34 34 A L + 0 0 70 -21,-2.6 -21,-0.4 -2,-0.3 2,-0.3 -0.798 48.5 115.6 -95.5 126.8 9.0 -20.8 -9.0 35 35 A G S S- 0 0 20 -2,-0.5 34,-0.1 2,-0.3 -23,-0.0 -0.966 72.0 -97.9-171.8 174.4 6.9 -22.3 -11.9 36 36 A H S S+ 0 0 104 -2,-0.3 33,-3.9 32,-0.1 34,-0.2 0.906 113.2 36.0 -76.0 -42.0 3.5 -22.2 -13.6 37 37 A S S S- 0 0 12 31,-0.3 -2,-0.3 32,-0.3 34,-0.2 0.018 129.2 -64.9 -81.3-159.0 2.2 -25.2 -11.6 38 38 A D - 0 0 22 32,-2.2 -17,-0.3 31,-0.1 -5,-0.2 0.438 68.1-126.2 -71.2 0.4 3.2 -25.7 -8.0 39 39 A A + 0 0 0 1,-0.2 2,-1.3 31,-0.1 3,-0.1 0.804 40.7 176.0 62.8 32.9 6.8 -26.2 -9.4 40 40 A D > - 0 0 0 1,-0.2 4,-2.4 -18,-0.1 -1,-0.2 -0.566 9.3-170.9 -74.1 97.6 7.3 -29.6 -7.7 41 41 A V H > S+ 0 0 0 -2,-1.3 4,-2.1 -20,-0.4 -1,-0.2 0.842 79.4 49.9 -65.0 -36.6 10.7 -30.4 -9.2 42 42 A L H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.944 112.1 46.4 -70.2 -47.9 10.8 -34.0 -7.9 43 43 A L H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.896 112.0 51.9 -63.0 -38.4 7.4 -34.9 -9.2 44 44 A H H X S+ 0 0 14 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.922 108.9 49.5 -61.6 -45.1 8.1 -33.3 -12.6 45 45 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 104,-0.2 0.912 113.7 46.5 -59.1 -44.6 11.4 -35.2 -13.0 46 46 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.920 110.5 52.6 -65.2 -42.1 9.6 -38.5 -12.1 47 47 A T H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.924 110.0 49.0 -57.7 -46.0 6.7 -37.7 -14.5 48 48 A D H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -41,-0.2 0.902 108.6 52.8 -60.6 -45.8 9.2 -37.1 -17.3 49 49 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.901 111.5 47.3 -55.7 -41.2 11.0 -40.4 -16.6 50 50 A L H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.936 113.4 45.3 -70.8 -47.4 7.6 -42.3 -16.8 51 51 A F H <>S+ 0 0 0 -4,-2.8 5,-2.8 -5,-0.2 6,-0.4 0.897 114.4 52.3 -58.2 -38.3 6.5 -40.6 -20.0 52 52 A G H ><5S+ 0 0 0 -4,-2.4 3,-1.2 -5,-0.2 -2,-0.2 0.937 106.7 50.6 -65.6 -45.4 10.1 -41.3 -21.3 53 53 A A H 3<5S+ 0 0 1 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.827 115.0 43.7 -58.2 -36.8 10.0 -45.0 -20.5 54 54 A A T 3<5S- 0 0 6 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.413 111.5-122.7 -86.4 -3.1 6.6 -45.4 -22.3 55 55 A A T < 5 + 0 0 12 -3,-1.2 -3,-0.2 -4,-0.3 227,-0.1 0.898 69.8 135.3 56.5 46.2 7.9 -43.2 -25.3 56 56 A L < - 0 0 32 -5,-2.8 2,-0.4 1,-0.3 -4,-0.2 0.091 65.7-117.3-110.4 18.3 5.0 -40.8 -24.8 57 57 A G - 0 0 7 -6,-0.4 -1,-0.3 -5,-0.2 2,-0.3 -0.673 51.5 -48.8 88.5-125.3 7.2 -37.6 -25.1 58 58 A D >> - 0 0 23 -2,-0.4 4,-1.6 -3,-0.1 3,-0.5 -0.861 49.6 -89.4-148.8 175.9 7.4 -35.3 -22.1 59 59 A I H 3> S+ 0 0 19 -2,-0.3 4,-2.8 1,-0.3 -1,-0.1 0.848 120.9 55.9 -62.8 -34.9 5.6 -33.4 -19.5 60 60 A G H 34 S+ 0 0 36 226,-0.2 -1,-0.3 1,-0.2 5,-0.1 0.855 104.9 52.9 -66.4 -35.9 5.2 -30.3 -21.7 61 61 A R H <4 S+ 0 0 149 -3,-0.5 3,-0.3 1,-0.2 -1,-0.2 0.905 119.2 34.7 -61.6 -42.0 3.5 -32.3 -24.4 62 62 A H H < S+ 0 0 31 -4,-1.6 2,-0.3 1,-0.3 -2,-0.2 0.826 131.5 25.5 -87.5 -32.5 0.9 -33.7 -22.0 63 63 A F S < S- 0 0 14 -4,-2.8 -1,-0.3 -5,-0.2 2,-0.2 -0.760 86.2-143.3-136.8 79.4 0.4 -30.7 -19.6 64 64 A S 0 0 86 -2,-0.3 -4,-0.1 -3,-0.3 -3,-0.1 -0.270 360.0 360.0 -60.8 118.3 1.3 -27.6 -21.6 65 65 A D 0 0 111 -2,-0.2 -1,-0.2 -5,-0.1 -5,-0.0 0.670 360.0 360.0 -76.7 360.0 3.0 -24.9 -19.4 66 ! 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 67 70 A F > 0 0 111 0, 0.0 3,-1.4 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 12.3 -2.3 -25.8 -15.1 68 71 A K T 3 - 0 0 79 1,-0.3 -31,-0.3 -31,-0.1 3,-0.1 -0.609 360.0 -8.4 -70.9 116.3 -1.7 -22.5 -13.2 69 72 A G T 3 S+ 0 0 51 -33,-3.9 -1,-0.3 -2,-0.6 -32,-0.3 0.617 99.9 179.4 67.6 14.2 -0.7 -23.5 -9.7 70 73 A A < - 0 0 18 -3,-1.4 -32,-2.2 -34,-0.2 2,-0.6 -0.091 36.7-109.4 -49.2 140.0 -1.6 -27.1 -10.7 71 74 A D > - 0 0 85 1,-0.2 4,-1.6 -34,-0.2 3,-0.5 -0.627 24.1-152.9 -71.6 114.3 -1.2 -29.8 -8.1 72 75 A S H > S+ 0 0 0 -2,-0.6 4,-2.4 1,-0.2 -1,-0.2 0.700 92.8 62.2 -69.3 -18.2 1.8 -31.8 -9.5 73 76 A R H > S+ 0 0 53 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.884 102.2 50.3 -68.2 -39.8 0.5 -34.9 -7.7 74 77 A A H > S+ 0 0 42 -3,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.925 111.6 49.5 -61.4 -42.3 -2.7 -34.7 -9.8 75 78 A L H X S+ 0 0 19 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.930 109.9 50.3 -60.3 -45.2 -0.4 -34.4 -12.9 76 79 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.922 110.1 49.9 -60.6 -42.4 1.7 -37.5 -11.8 77 80 A R H X S+ 0 0 109 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.886 111.1 48.8 -62.9 -41.2 -1.5 -39.5 -11.3 78 81 A E H X S+ 0 0 76 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.911 110.6 51.5 -64.0 -40.8 -2.7 -38.5 -14.8 79 82 A C H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.953 109.8 49.4 -58.8 -48.8 0.8 -39.4 -16.2 80 83 A A H X S+ 0 0 15 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.876 109.8 52.2 -58.7 -42.0 0.5 -42.8 -14.5 81 84 A S H X S+ 0 0 58 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.909 111.6 45.5 -58.3 -47.2 -3.0 -43.3 -16.0 82 85 A R H X S+ 0 0 84 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.895 111.4 52.6 -66.8 -39.2 -1.7 -42.5 -19.5 83 86 A V H <>S+ 0 0 0 -4,-3.0 5,-2.1 1,-0.2 4,-0.3 0.935 112.0 45.8 -60.2 -44.4 1.3 -44.8 -19.0 84 87 A A H ><5S+ 0 0 60 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.887 110.3 53.9 -64.1 -40.2 -1.1 -47.6 -18.0 85 88 A Q H 3<5S+ 0 0 164 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.835 102.2 57.7 -64.7 -33.0 -3.4 -46.8 -20.9 86 89 A A T 3<5S- 0 0 27 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.558 129.0-101.3 -70.6 -9.3 -0.3 -47.2 -23.3 87 90 A G T < 5S+ 0 0 36 -3,-1.3 2,-0.4 -4,-0.3 -3,-0.2 0.561 78.4 129.8 104.7 10.7 -0.0 -50.7 -21.8 88 91 A F < - 0 0 10 -5,-2.1 2,-0.4 67,-0.3 -1,-0.3 -0.781 42.1-155.1-103.9 139.1 2.8 -50.3 -19.3 89 92 A A E -B 154 0A 55 65,-3.0 65,-2.0 -2,-0.4 2,-0.4 -0.926 26.4-122.7-101.1 139.4 3.0 -51.4 -15.6 90 93 A I E +B 153 0A 25 -2,-0.4 63,-0.3 63,-0.2 3,-0.1 -0.637 27.6 179.5 -82.0 131.7 5.5 -49.4 -13.5 91 94 A R E - 0 0 68 61,-3.0 2,-0.3 -2,-0.4 62,-0.2 0.817 60.9 -21.2 -99.9 -43.2 8.1 -51.6 -11.7 92 95 A N E -B 152 0A 3 60,-1.7 60,-2.3 2,-0.0 2,-0.4 -0.991 45.3-150.4-163.7 162.4 10.1 -49.0 -9.8 93 96 A V E -Bc 151 126A 1 32,-2.1 34,-1.7 -2,-0.3 2,-0.3 -0.995 11.9-178.4-132.5 138.8 11.2 -45.4 -9.5 94 97 A D E +B 150 0A 0 56,-2.5 56,-2.6 -2,-0.4 2,-0.3 -0.946 12.7 170.1-130.2 155.2 14.4 -43.9 -8.1 95 98 A S E -B 149 0A 0 -2,-0.3 34,-1.4 32,-0.3 2,-0.4 -0.981 22.7-149.0-160.3 160.6 15.2 -40.2 -7.8 96 99 A T E -Bd 148 129A 0 52,-2.2 52,-2.5 -2,-0.3 2,-0.4 -0.995 7.2-157.4-137.8 135.5 17.7 -37.7 -6.3 97 100 A I E -Bd 147 130A 0 32,-2.7 34,-2.5 -2,-0.4 2,-0.5 -0.960 9.3-157.5-106.4 136.3 16.9 -34.1 -5.1 98 101 A I E +Bd 146 131A 0 48,-3.1 48,-2.0 -2,-0.4 2,-0.3 -0.954 29.3 144.3-117.5 118.0 19.9 -31.7 -5.1 99 102 A A - 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