==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 24-OCT-08 3F0G . 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 . 917 11 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32634.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 626 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 187 20.4 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 . 6 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 . 54 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 225 24.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 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 11 0 0 0 0 0 0 0 5 6 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 0 0 2 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 9 0 0 0 0 0 3 3 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 11 0 1 5 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 M 0 0 96 0, 0.0 2,-2.0 0, 0.0 158,-0.1 0.000 360.0 360.0 360.0-131.5 26.1 -38.7 -45.6 2 2 A D + 0 0 25 156,-0.4 156,-2.7 2,-0.0 2,-0.1 -0.417 360.0 168.4 -87.3 69.7 27.7 -35.3 -45.0 3 3 A F E -A 157 0A 2 -2,-2.0 2,-0.3 154,-0.2 154,-0.3 -0.424 12.3-171.5 -76.9 151.6 24.8 -32.9 -45.3 4 4 A R E -A 156 0A 2 152,-2.5 152,-2.7 -2,-0.1 2,-0.3 -0.992 9.6-147.7-142.0 139.7 24.9 -29.2 -44.3 5 5 A I E -A 155 0A 5 -2,-0.3 2,-0.3 150,-0.2 150,-0.2 -0.844 13.6-173.5-108.8 149.5 22.2 -26.6 -43.9 6 6 A G E -A 154 0A 1 148,-2.5 148,-2.4 -2,-0.3 2,-0.3 -0.961 6.9-158.8-136.2 154.8 22.4 -22.9 -44.6 7 7 A Q E -A 153 0A 22 -2,-0.3 2,-0.3 146,-0.2 146,-0.2 -0.966 8.0-163.3-134.2 150.0 20.1 -19.9 -44.1 8 8 A G E -A 152 0A 2 144,-2.8 144,-2.4 -2,-0.3 2,-0.3 -0.967 6.6-173.7-138.5 153.2 20.1 -16.5 -45.7 9 9 A Y E +A 151 0A 3 -2,-0.3 2,-0.3 142,-0.2 142,-0.2 -0.998 9.8 163.4-145.0 139.1 18.6 -13.0 -45.1 10 10 A D E -A 150 0A 1 140,-2.0 140,-2.6 -2,-0.3 2,-0.3 -0.990 9.3-178.4-152.8 155.9 18.5 -9.8 -47.1 11 11 A V E -A 149 0A 0 -2,-0.3 2,-0.3 138,-0.2 138,-0.2 -0.973 5.0-174.3-150.7 141.7 16.6 -6.5 -47.2 12 12 A H E -A 148 0A 11 136,-1.9 136,-2.2 -2,-0.3 2,-0.1 -0.993 28.8-109.6-135.5 146.5 16.9 -3.5 -49.5 13 13 A Q E -A 147 0A 49 21,-0.4 21,-2.6 -2,-0.3 2,-0.5 -0.451 27.9-129.2 -66.0 141.9 15.2 -0.0 -49.6 14 14 A L E +D 33 0B 13 132,-2.5 19,-0.2 19,-0.2 -1,-0.1 -0.871 40.3 167.3 -91.7 125.3 12.7 0.7 -52.3 15 15 A V E > -D 32 0B 27 17,-3.0 17,-2.6 -2,-0.5 3,-0.8 -0.954 37.4-100.4-138.0 153.5 13.5 3.9 -54.1 16 16 A P E 3 S+D 31 0B 102 0, 0.0 15,-0.2 0, 0.0 14,-0.1 -0.328 100.1 35.9 -63.3 155.0 12.6 5.9 -57.2 17 17 A G T 3 S+ 0 0 81 13,-0.7 14,-0.1 1,-0.2 13,-0.0 0.339 93.8 102.1 88.1 -5.4 15.0 5.8 -60.2 18 18 A R S < S- 0 0 70 -3,-0.8 -1,-0.2 12,-0.2 2,-0.2 -0.863 72.9-114.6-114.0 143.8 16.0 2.1 -59.8 19 19 A P - 0 0 81 0, 0.0 2,-0.9 0, 0.0 14,-0.8 -0.509 29.2-124.6 -69.7 142.9 14.9 -1.0 -61.8 20 20 A L E +E 27 0C 3 7,-0.5 7,-3.3 12,-0.3 2,-0.5 -0.830 38.1 172.3 -92.5 105.9 13.1 -3.6 -59.6 21 21 A I E +E 26 0C 27 -2,-0.9 2,-0.4 17,-0.4 20,-0.4 -0.964 4.8 163.7-121.7 116.4 15.0 -6.9 -60.0 22 22 A I E > S-E 25 0C 0 3,-2.0 3,-1.6 -2,-0.5 18,-0.1 -0.997 73.5 -2.7-135.1 127.5 14.0 -9.9 -57.9 23 23 A G T 3 S- 0 0 0 -2,-0.4 94,-0.2 1,-0.3 95,-0.2 0.787 129.7 -61.2 60.9 28.9 15.1 -13.5 -58.6 24 24 A G T 3 S+ 0 0 21 1,-0.2 2,-0.5 93,-0.1 -1,-0.3 0.417 110.7 127.3 79.3 -0.4 16.7 -12.1 -61.8 25 25 A V E < -E 22 0C 16 -3,-1.6 -3,-2.0 85,-0.0 2,-0.6 -0.796 57.6-140.4 -95.9 122.4 13.3 -10.9 -63.0 26 26 A T E -E 21 0C 99 -2,-0.5 -5,-0.2 -5,-0.2 -3,-0.0 -0.743 24.8-160.9 -78.0 117.4 12.9 -7.3 -64.1 27 27 A I E -E 20 0C 5 -7,-3.3 -7,-0.5 -2,-0.6 2,-0.1 -0.913 21.6-115.4-109.9 123.0 9.5 -6.3 -62.7 28 28 A P + 0 0 108 0, 0.0 2,-0.3 0, 0.0 3,-0.0 -0.350 61.5 131.5 -56.2 120.9 7.6 -3.2 -64.1 29 29 A Y - 0 0 52 -2,-0.1 -9,-0.2 76,-0.1 -2,-0.0 -0.926 64.6-121.7-172.7 148.3 7.4 -0.8 -61.2 30 30 A E S S+ 0 0 140 -2,-0.3 -13,-0.7 -11,-0.1 2,-0.3 0.612 98.3 45.0 -75.9 -14.5 8.0 2.9 -60.4 31 31 A R E -D 16 0B 59 -15,-0.2 2,-0.3 -14,-0.1 -11,-0.2 -0.819 66.4-170.3-122.3 166.0 10.5 2.0 -57.7 32 32 A G E -D 15 0B 0 -17,-2.6 -17,-3.0 -2,-0.3 2,-0.4 -0.870 34.9 -77.9-143.8 179.7 13.4 -0.4 -57.4 33 33 A L E -D 14 0B 0 -14,-0.8 2,-0.4 5,-0.3 -19,-0.2 -0.681 40.5-134.2 -90.5 135.8 15.8 -1.8 -54.8 34 34 A L + 0 0 65 -21,-2.6 -21,-0.4 -2,-0.4 2,-0.3 -0.744 47.5 111.6 -92.6 130.8 18.7 0.3 -53.7 35 35 A G S S- 0 0 19 -2,-0.4 37,-0.1 2,-0.2 -23,-0.0 -0.970 74.3 -90.1-179.2 172.7 22.2 -1.2 -53.4 36 36 A H S S+ 0 0 57 -2,-0.3 36,-3.2 35,-0.1 37,-0.2 0.907 114.7 31.7 -64.6 -45.4 25.8 -1.4 -54.7 37 37 A S S S- 0 0 11 34,-0.3 -2,-0.2 35,-0.2 37,-0.1 -0.016 126.3 -64.4 -89.1-159.3 24.8 -4.2 -57.2 38 38 A D - 0 0 20 35,-2.0 -17,-0.4 1,-0.1 -5,-0.3 0.540 69.4-127.6 -67.9 -4.1 21.4 -4.6 -58.9 39 39 A A + 0 0 0 1,-0.2 2,-1.4 34,-0.2 -1,-0.1 0.733 37.7 179.8 65.8 28.7 20.2 -5.2 -55.3 40 40 A D > - 0 0 0 1,-0.2 4,-2.1 2,-0.1 -1,-0.2 -0.434 7.5-169.3 -65.3 91.0 18.5 -8.4 -56.1 41 41 A V H > S+ 0 0 0 -2,-1.4 4,-1.6 -20,-0.4 -1,-0.2 0.804 79.4 49.0 -55.7 -37.1 17.3 -9.2 -52.5 42 42 A L H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.914 111.5 46.8 -74.4 -44.1 16.2 -12.8 -53.2 43 43 A L H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.837 110.7 54.2 -68.0 -31.6 19.3 -13.9 -55.0 44 44 A H H X S+ 0 0 11 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.902 108.3 48.1 -67.7 -42.9 21.5 -12.3 -52.2 45 45 A A H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 107,-0.2 0.886 114.1 47.1 -63.1 -40.2 19.6 -14.3 -49.5 46 46 A I H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.908 111.5 51.8 -67.3 -44.7 20.0 -17.5 -51.5 47 47 A T H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.910 109.6 48.4 -51.9 -50.1 23.6 -16.7 -52.1 48 48 A D H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -41,-0.2 0.892 109.8 53.8 -61.0 -43.7 24.2 -16.2 -48.3 49 49 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.878 109.7 47.4 -55.9 -41.9 22.4 -19.5 -47.6 50 50 A L H X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.917 113.6 45.4 -72.6 -45.2 24.7 -21.3 -50.0 51 51 A F H <>S+ 0 0 0 -4,-2.2 5,-3.1 2,-0.2 6,-0.4 0.893 113.9 53.1 -59.2 -40.8 27.9 -19.8 -48.6 52 52 A G H ><5S+ 0 0 1 -4,-2.5 3,-1.1 3,-0.2 -2,-0.2 0.908 106.4 50.0 -62.6 -46.1 26.5 -20.5 -45.1 53 53 A A H 3<5S+ 0 0 1 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.862 115.1 44.2 -59.2 -38.4 25.8 -24.2 -45.8 54 54 A A T 3<5S- 0 0 5 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.435 111.6-122.7 -86.9 0.3 29.4 -24.6 -47.1 55 55 A A T < 5 + 0 0 12 -3,-1.1 -3,-0.2 -4,-0.3 232,-0.1 0.866 69.4 135.5 54.8 44.1 30.8 -22.6 -44.2 56 56 A L < - 0 0 35 -5,-3.1 2,-0.5 1,-0.3 -4,-0.2 0.212 66.0-115.3-102.8 13.5 32.4 -20.1 -46.7 57 57 A G - 0 0 6 -6,-0.4 -1,-0.3 -5,-0.1 2,-0.2 -0.787 51.1 -52.6 91.7-128.8 31.4 -17.0 -44.8 58 58 A D > - 0 0 17 -2,-0.5 4,-1.7 -3,-0.1 3,-0.4 -0.848 47.3 -89.4-145.7 177.6 29.0 -14.6 -46.5 59 59 A I H > S+ 0 0 18 -2,-0.2 4,-3.3 1,-0.2 -1,-0.0 0.848 118.7 56.0 -60.9 -39.2 28.1 -12.5 -49.6 60 60 A G H 4 S+ 0 0 37 231,-0.3 -1,-0.2 1,-0.2 5,-0.2 0.836 107.2 48.9 -65.5 -35.9 30.0 -9.4 -48.4 61 61 A R H 4 S+ 0 0 161 -3,-0.4 3,-0.3 1,-0.1 -1,-0.2 0.894 119.4 37.9 -67.0 -42.6 33.3 -11.3 -47.9 62 62 A H H < S+ 0 0 31 -4,-1.7 2,-0.4 1,-0.3 -2,-0.2 0.860 130.4 26.3 -81.7 -37.3 33.0 -12.9 -51.4 63 63 A F S < S- 0 0 13 -4,-3.3 -1,-0.3 -5,-0.2 -2,-0.1 -0.768 90.8-141.3-130.1 85.6 31.6 -9.9 -53.3 64 64 A S - 0 0 38 -2,-0.4 3,-0.4 -3,-0.3 6,-0.2 -0.085 11.5-139.3 -55.7 137.7 32.6 -6.7 -51.6 65 65 A D S S+ 0 0 113 1,-0.2 2,-0.4 -5,-0.2 -1,-0.1 0.674 101.2 60.0 -62.0 -21.1 30.3 -3.7 -51.2 66 66 A T S S+ 0 0 133 5,-0.0 -1,-0.2 2,-0.0 -2,-0.1 -0.550 79.3 99.6-114.3 64.7 33.3 -1.5 -51.9 67 67 A D > - 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0 0 39 61,-3.0 2,-0.3 -2,-0.4 62,-0.2 0.860 60.6 -20.6 -98.5 -48.1 20.4 -30.5 -53.0 95 95 A N E -B 155 0A 3 60,-1.4 60,-2.2 29,-0.0 2,-0.4 -0.991 46.8-150.5-157.4 159.3 17.6 -27.9 -52.7 96 96 A V E -Bc 154 129A 1 32,-2.4 34,-1.6 -2,-0.3 2,-0.3 -0.997 11.8-178.0-128.9 137.8 16.8 -24.3 -52.1 97 97 A D E +Bc 153 130A 0 56,-2.7 56,-2.9 -2,-0.4 2,-0.3 -0.960 13.7 170.6-127.7 151.7 13.7 -22.8 -50.5 98 98 A S E -Bc 152 131A 0 32,-0.7 34,-2.2 -2,-0.3 2,-0.4 -0.991 23.2-146.4-158.8 158.5 13.0 -19.1 -50.1 99 99 A T E -Bc 151 132A 1 52,-2.7 52,-2.5 -2,-0.3 2,-0.4 -0.990 6.5-160.0-131.8 141.4 10.5 -16.3 -49.2 100 100 A I E -Bc 150 133A 0 32,-2.7 34,-2.9 -2,-0.4 2,-0.5 -0.986 8.3-161.6-120.1 132.5 10.0 -12.8 -50.6 101 101 A I E +Bc 149 134A 0 48,-3.0 48,-1.9 -2,-0.4 2,-0.3 -0.951 24.9 143.7-120.8 116.5 8.1 -10.2 -48.5 102 102 A A - 0 0 5 32,-2.4 5,-0.1 -2,-0.5 46,-0.1 -0.991 45.1-148.6-151.9 140.2 6.7 -7.0 -50.1 103 103 A Q S S+ 0 0 107 39,-0.6 -1,-0.1 44,-0.4 40,-0.1 0.838 81.6 55.0 -70.6 -36.7 3.6 -4.8 -49.8 104 104 A A S S+ 0 0 22 2,-0.1 -1,-0.3 1,-0.0 2,-0.2 -0.969 83.6 25.5-162.9 155.2 3.8 -4.1 -53.6 105 105 A P S S- 0 0 26 0, 0.0 2,-0.3 0, 0.0 -76,-0.1 0.648 83.3 -99.4 -79.0-173.9 3.9 -4.9 -56.4 106 106 A K - 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