==== 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 24-OCT-08 3F0F . 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 . 474 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16915.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 323 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 20.3 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 0.6 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 . 29 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 24.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.5 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 6 0 0 0 0 0 0 1 2 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 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 PARALLEL BRIDGES PER LADDER . 0 3 2 1 0 0 0 0 0 3 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 5 0 1 1 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 0 104 0, 0.0 2,-1.5 0, 0.0 158,-0.1 0.000 360.0 360.0 360.0 27.2 -25.4 9.7 7.5 2 2 A D E +A 158 0A 28 156,-0.5 156,-2.7 2,-0.0 2,-0.2 -0.587 360.0 176.8 -89.3 73.7 -26.4 6.0 7.4 3 3 A F E -A 157 0A 3 -2,-1.5 2,-0.3 154,-0.2 154,-0.2 -0.480 9.6-173.8 -79.4 148.5 -23.3 4.8 9.2 4 4 A R E -A 156 0A 3 152,-2.4 152,-2.5 -2,-0.2 2,-0.4 -0.991 10.3-147.9-139.5 147.4 -22.7 1.1 10.1 5 5 A I E -A 155 0A 5 -2,-0.3 2,-0.3 150,-0.2 150,-0.2 -0.914 11.3-174.3-116.1 146.5 -20.0 -0.7 12.1 6 6 A G E -A 154 0A 1 148,-2.2 148,-2.4 -2,-0.4 2,-0.3 -0.946 6.5-158.6-129.4 154.8 -18.6 -4.1 11.7 7 7 A Q E -A 153 0A 21 -2,-0.3 2,-0.3 41,-0.2 146,-0.2 -0.961 8.4-161.1-131.3 153.2 -16.1 -6.1 13.8 8 8 A G E -A 152 0A 1 144,-2.3 144,-1.8 -2,-0.3 2,-0.3 -0.967 8.0-172.5-138.7 149.2 -13.9 -9.1 12.8 9 9 A Y E +A 151 0A 4 -2,-0.3 2,-0.3 142,-0.2 142,-0.2 -0.998 11.5 161.7-140.3 140.7 -12.0 -11.9 14.5 10 10 A D E -A 150 0A 2 140,-1.9 140,-2.7 -2,-0.3 2,-0.3 -0.983 9.0-179.8-154.4 151.8 -9.6 -14.5 13.2 11 11 A V E -A 149 0A 2 -2,-0.3 2,-0.3 138,-0.2 138,-0.2 -0.985 4.4-175.1-147.7 146.3 -6.9 -16.9 14.5 12 12 A H E -A 148 0A 13 136,-1.7 136,-2.4 -2,-0.3 2,-0.1 -0.992 30.3-106.6-141.3 147.6 -4.6 -19.5 12.8 13 13 A Q E -A 147 0A 53 21,-0.5 21,-2.6 -2,-0.3 2,-0.6 -0.433 28.0-132.1 -69.5 147.9 -2.1 -22.0 14.0 14 14 A L E +E 33 0B 9 132,-1.7 19,-0.2 19,-0.2 -1,-0.0 -0.923 38.7 164.1-105.7 115.3 1.5 -21.3 13.5 15 15 A V E -E 32 0B 34 17,-3.3 17,-3.3 -2,-0.6 3,-0.5 -0.912 39.4 -98.6-133.5 156.5 3.4 -24.3 12.0 16 16 A P S S+ 0 0 100 0, 0.0 15,-0.2 0, 0.0 14,-0.1 -0.409 101.4 37.4 -71.6 154.7 6.7 -25.1 10.3 17 17 A G S S+ 0 0 79 13,-0.5 14,-0.1 1,-0.3 13,-0.1 0.815 94.3 105.1 73.4 32.5 6.7 -25.3 6.5 18 18 A R S S- 0 0 69 -3,-0.5 -1,-0.3 12,-0.1 2,-0.2 -0.993 72.2-111.7-137.6 146.3 4.3 -22.5 5.9 19 19 A P - 0 0 74 0, 0.0 14,-1.0 0, 0.0 2,-0.9 -0.506 25.4-132.9 -66.7 142.8 4.6 -18.9 4.6 20 20 A L + 0 0 3 7,-0.5 7,-3.5 12,-0.3 2,-0.6 -0.859 35.4 171.1 -98.4 98.4 3.9 -16.2 7.2 21 21 A I E +F 26 0C 26 -2,-0.9 2,-0.4 17,-0.4 20,-0.3 -0.943 3.5 165.0-115.7 114.1 1.7 -13.8 5.3 22 22 A I E > S-F 25 0C 0 3,-2.2 3,-1.8 -2,-0.6 18,-0.1 -0.995 73.8 -6.0-131.2 125.0 0.0 -11.0 7.3 23 23 A G T 3 S- 0 0 0 -2,-0.4 94,-0.2 1,-0.3 95,-0.2 0.767 129.6 -60.1 63.6 26.9 -1.6 -8.0 5.7 24 24 A G T 3 S+ 0 0 21 1,-0.3 2,-0.5 93,-0.1 -1,-0.3 0.377 111.7 124.8 80.4 -2.4 -0.3 -9.3 2.4 25 25 A V E < -F 22 0C 21 -3,-1.8 -3,-2.2 85,-0.0 2,-0.8 -0.782 59.7-138.0 -94.6 126.9 3.3 -9.1 3.7 26 26 A T E -F 21 0C 100 -2,-0.5 -5,-0.2 -5,-0.2 -3,-0.0 -0.754 25.1-159.7 -81.6 112.9 5.5 -12.2 3.6 27 27 A I - 0 0 4 -7,-3.5 -7,-0.5 -2,-0.8 2,-0.2 -0.842 18.1-120.6-101.4 125.3 7.3 -12.1 6.9 28 28 A P + 0 0 106 0, 0.0 2,-0.3 0, 0.0 4,-0.0 -0.467 55.4 136.9 -62.4 128.9 10.5 -14.0 7.4 29 29 A Y - 0 0 60 -2,-0.2 -9,-0.1 76,-0.0 -2,-0.0 -0.943 65.4-112.3-171.4 152.7 10.0 -16.5 10.2 30 30 A E S S+ 0 0 156 -2,-0.3 -13,-0.5 -14,-0.1 2,-0.3 0.657 103.2 32.8 -66.2 -19.1 10.7 -20.2 11.1 31 31 A R - 0 0 60 -15,-0.2 2,-0.3 -14,-0.1 -11,-0.1 -0.860 68.5-156.9-133.2 167.3 7.0 -20.9 11.0 32 32 A G E -E 15 0B 0 -17,-3.3 -17,-3.3 -2,-0.3 -12,-0.3 -0.898 32.6 -82.1-139.4 171.5 3.9 -19.8 9.1 33 33 A L E -E 14 0B 0 -14,-1.0 2,-0.4 -2,-0.3 -19,-0.2 -0.575 39.3-137.4 -83.7 137.6 0.1 -19.7 9.4 34 34 A L + 0 0 64 -21,-2.6 -21,-0.5 -2,-0.3 2,-0.3 -0.778 44.7 110.3-100.8 131.2 -1.9 -22.8 8.6 35 35 A G S S- 0 0 18 -2,-0.4 37,-0.1 2,-0.3 -23,-0.0 -0.972 74.7 -88.8-175.6 177.4 -5.2 -22.7 6.7 36 36 A H S S+ 0 0 56 -2,-0.3 36,-3.3 35,-0.1 37,-0.2 0.921 116.0 35.1 -68.2 -46.3 -7.0 -23.5 3.5 37 37 A S S S- 0 0 13 34,-0.3 -2,-0.3 35,-0.2 37,-0.1 0.055 126.4 -67.4 -83.5-160.3 -6.0 -20.1 2.0 38 38 A D - 0 0 18 35,-2.0 -17,-0.4 -4,-0.1 -5,-0.2 0.502 69.1-125.8 -69.8 -1.2 -2.6 -18.4 2.6 39 39 A A + 0 0 0 1,-0.2 2,-1.4 34,-0.2 3,-0.1 0.778 39.5 179.4 61.5 34.0 -4.2 -18.1 6.2 40 40 A D > - 0 0 0 1,-0.2 4,-2.2 2,-0.1 -1,-0.2 -0.510 7.7-169.9 -70.0 94.6 -3.7 -14.3 6.3 41 41 A V H > S+ 0 0 0 -2,-1.4 4,-1.6 -20,-0.3 -1,-0.2 0.839 78.2 49.2 -59.5 -39.6 -5.2 -13.8 9.7 42 42 A L H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.936 111.3 46.3 -68.4 -50.6 -5.3 -9.9 9.5 43 43 A L H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.898 110.8 54.8 -61.5 -39.6 -7.0 -9.6 6.1 44 44 A H H X S+ 0 0 11 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.877 108.6 47.7 -59.3 -42.5 -9.5 -12.3 7.1 45 45 A A H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.889 113.8 46.9 -66.8 -41.3 -10.5 -10.3 10.2 46 46 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.928 111.3 52.0 -65.1 -44.7 -10.8 -7.1 8.2 47 47 A T H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.916 110.7 48.3 -54.7 -47.1 -12.8 -8.9 5.5 48 48 A D H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -41,-0.2 0.853 109.5 52.5 -62.3 -37.0 -15.2 -10.2 8.3 49 49 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 105,-0.2 0.911 110.9 47.5 -66.4 -40.7 -15.5 -6.7 9.7 50 50 A L H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.880 113.1 46.5 -68.7 -42.7 -16.5 -5.3 6.3 51 51 A F H <>S+ 0 0 0 -4,-2.3 5,-3.2 -5,-0.2 6,-0.4 0.899 113.4 51.9 -62.7 -41.6 -19.0 -8.1 5.6 52 52 A G H ><5S+ 0 0 1 -4,-2.3 3,-0.8 3,-0.2 -2,-0.2 0.893 107.7 49.7 -60.9 -44.5 -20.4 -7.5 9.1 53 53 A A H 3<5S+ 0 0 1 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.845 115.0 43.9 -64.6 -36.4 -20.8 -3.7 8.7 54 54 A A T 3<5S- 0 0 6 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.434 111.8-125.0 -86.0 -1.0 -22.7 -4.2 5.4 55 55 A A T < 5 + 0 0 14 -3,-0.8 -3,-0.2 -4,-0.3 234,-0.1 0.914 67.0 137.6 53.2 49.7 -24.6 -7.0 7.1 56 56 A L < - 0 0 57 -5,-3.2 2,-0.5 1,-0.3 -4,-0.2 0.197 65.7-112.4-107.0 13.0 -23.6 -9.5 4.3 57 57 A G - 0 0 20 -6,-0.4 -1,-0.3 -5,-0.1 2,-0.3 -0.822 52.6 -54.4 96.0-127.8 -22.8 -12.4 6.7 58 58 A D > - 0 0 18 -2,-0.5 4,-1.5 -3,-0.1 3,-0.5 -0.922 45.7 -91.7-149.1 172.7 -19.2 -13.6 7.0 59 59 A I H > S+ 0 0 20 -2,-0.3 4,-2.4 1,-0.2 -14,-0.0 0.778 119.3 60.4 -58.8 -29.2 -16.1 -14.7 5.2 60 60 A G H 4 S+ 0 0 47 233,-0.2 -1,-0.2 1,-0.2 5,-0.1 0.920 105.8 44.7 -64.4 -47.1 -17.2 -18.4 5.6 61 61 A R H 4 S+ 0 0 84 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.776 118.2 44.5 -69.4 -30.1 -20.5 -17.9 3.6 62 62 A H H < S+ 0 0 44 -4,-1.5 2,-0.4 1,-0.3 -2,-0.2 0.871 123.8 26.5 -83.4 -40.3 -18.7 -15.9 0.9 63 63 A F S < S- 0 0 16 -4,-2.4 -1,-0.3 -5,-0.2 2,-0.1 -0.937 82.0-132.7-132.1 110.2 -15.6 -18.1 0.3 64 64 A S - 0 0 45 -2,-0.4 3,-0.3 -3,-0.2 6,-0.1 -0.343 0.8-148.3 -66.9 135.4 -15.7 -21.8 1.2 65 65 A D S S+ 0 0 119 1,-0.2 2,-0.1 -5,-0.1 -1,-0.1 0.290 96.3 55.0 -84.2 6.3 -12.7 -23.2 3.2 66 66 A T S S+ 0 0 116 5,-0.0 -1,-0.2 -30,-0.0 -2,-0.1 -0.651 81.0 103.8-138.3 76.1 -13.2 -26.5 1.3 67 67 A D >> - 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