==== 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 29-SEP-10 3P10 . 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 . 471 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16835.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 327 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 99 21.0 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 . 27 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 24.6 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 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 6 0 0 0 0 0 0 3 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 0 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 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 0 101 0, 0.0 2,-1.8 0, 0.0 158,-0.1 0.000 360.0 360.0 360.0 21.0 9.6 -59.4 -20.5 2 2 A D E +A 158 0A 34 156,-0.5 156,-2.8 2,-0.0 2,-0.1 -0.521 360.0 174.8 -88.3 71.2 9.1 -56.2 -22.6 3 3 A F E -A 157 0A 4 -2,-1.8 2,-0.3 154,-0.2 154,-0.2 -0.435 9.4-174.9 -78.4 151.1 10.9 -54.0 -20.1 4 4 A R E -A 156 0A 5 152,-2.2 152,-2.6 -2,-0.1 2,-0.3 -0.993 11.6-144.8-144.8 147.6 11.6 -50.3 -20.8 5 5 A I E -A 155 0A 5 -2,-0.3 2,-0.3 150,-0.2 150,-0.2 -0.851 12.7-173.6-116.9 150.2 13.6 -47.6 -19.0 6 6 A G E -A 154 0A 1 148,-2.3 148,-2.2 -2,-0.3 2,-0.3 -0.951 4.7-161.8-134.9 156.5 13.0 -43.9 -18.7 7 7 A Q E -A 153 0A 21 -2,-0.3 2,-0.3 41,-0.2 146,-0.2 -0.987 6.7-167.2-137.5 151.6 14.9 -41.0 -17.2 8 8 A G E -A 152 0A 2 144,-2.7 144,-2.3 -2,-0.3 2,-0.3 -0.974 6.8-170.4-142.2 155.5 13.9 -37.5 -16.1 9 9 A Y E +A 151 0A 5 -2,-0.3 2,-0.3 142,-0.2 142,-0.2 -0.996 11.0 165.8-138.0 143.9 15.4 -34.2 -15.1 10 10 A D E -A 150 0A 2 140,-2.2 140,-2.5 -2,-0.3 2,-0.3 -0.992 8.0-179.7-153.4 154.8 14.0 -31.0 -13.6 11 11 A V E -A 149 0A 0 -2,-0.3 2,-0.3 138,-0.2 138,-0.2 -0.977 3.7-177.5-148.3 144.0 15.2 -27.9 -11.9 12 12 A H E -A 148 0A 9 136,-1.7 136,-2.2 -2,-0.3 2,-0.1 -0.988 31.4-105.8-137.2 149.3 13.4 -24.8 -10.5 13 13 A Q E -A 147 0A 52 21,-0.4 21,-2.6 -2,-0.3 2,-0.6 -0.411 28.2-130.0 -66.3 148.4 14.6 -21.6 -9.0 14 14 A L E +E 33 0B 13 132,-2.2 19,-0.2 19,-0.2 -1,-0.0 -0.916 39.5 166.2-104.6 120.5 14.2 -21.1 -5.2 15 15 A V E > -E 32 0B 29 17,-3.0 17,-2.7 -2,-0.6 3,-0.7 -0.935 37.9 -99.0-135.9 151.6 12.5 -17.8 -4.4 16 16 A P E 3 S+E 31 0B 103 0, 0.0 15,-0.2 0, 0.0 14,-0.1 -0.350 99.4 36.2 -64.4 153.5 10.9 -16.0 -1.4 17 17 A G T 3 S+ 0 0 81 13,-0.8 14,-0.1 1,-0.2 13,-0.1 0.588 92.4 100.6 86.3 12.1 7.0 -16.0 -1.2 18 18 A R S < S- 0 0 71 -3,-0.7 -1,-0.2 12,-0.2 2,-0.1 -0.954 75.7-108.7-125.9 144.1 6.3 -19.5 -2.6 19 19 A P - 0 0 76 0, 0.0 14,-0.9 0, 0.0 2,-0.8 -0.459 29.5-128.1 -60.6 140.0 5.5 -22.8 -0.7 20 20 A L E +F 27 0C 2 7,-0.5 7,-2.9 12,-0.3 2,-0.5 -0.876 38.6 170.4 -93.7 110.9 8.3 -25.3 -0.9 21 21 A I E +F 26 0C 28 -2,-0.8 2,-0.4 17,-0.3 20,-0.4 -0.977 3.6 164.0-127.3 116.4 6.6 -28.5 -2.1 22 22 A I E > S-F 25 0C 0 3,-2.0 3,-1.8 -2,-0.5 18,-0.1 -0.996 73.0 -0.8-136.1 131.2 8.8 -31.5 -3.1 23 23 A G T 3 S- 0 0 0 -2,-0.4 94,-0.2 1,-0.3 95,-0.2 0.815 130.5 -61.9 60.3 28.4 7.5 -35.0 -3.6 24 24 A G T 3 S+ 0 0 22 1,-0.2 2,-0.5 93,-0.1 -1,-0.3 0.405 110.5 124.2 79.1 -1.2 4.1 -33.6 -2.6 25 25 A V E < -F 22 0C 19 -3,-1.8 -3,-2.0 85,-0.0 2,-0.7 -0.821 58.7-140.4 -98.5 125.4 5.3 -32.6 0.8 26 26 A T E -F 21 0C 96 -2,-0.5 -5,-0.2 -5,-0.2 -3,-0.0 -0.747 25.3-160.5 -81.4 116.7 5.0 -29.0 2.0 27 27 A I E -F 20 0C 4 -7,-2.9 -7,-0.5 -2,-0.7 2,-0.1 -0.886 23.3-111.9-106.8 126.2 8.2 -28.3 3.8 28 28 A P + 0 0 110 0, 0.0 2,-0.3 0, 0.0 3,-0.0 -0.369 63.1 134.5 -56.0 122.0 8.5 -25.4 6.3 29 29 A Y - 0 0 79 -2,-0.1 -9,-0.2 76,-0.1 -2,-0.0 -0.920 63.4-123.9-171.4 146.7 10.9 -23.0 4.6 30 30 A E S S+ 0 0 89 -2,-0.3 -13,-0.8 -11,-0.1 2,-0.3 0.616 97.6 44.3 -74.1 -12.6 11.3 -19.3 3.9 31 31 A R E -E 16 0B 65 -15,-0.2 2,-0.3 -14,-0.1 -11,-0.1 -0.843 66.5-168.1-127.4 165.1 11.6 -19.9 0.2 32 32 A G E -E 15 0B 0 -17,-2.7 -17,-3.0 -2,-0.3 2,-0.3 -0.877 34.4 -79.3-143.8 172.7 9.8 -22.1 -2.4 33 33 A L E -E 14 0B 0 -14,-0.9 2,-0.5 -2,-0.3 -19,-0.2 -0.629 40.5-132.3 -85.5 138.8 10.2 -23.3 -5.9 34 34 A L + 0 0 67 -21,-2.6 -21,-0.4 -2,-0.3 2,-0.3 -0.761 50.1 112.1 -93.9 125.2 9.2 -21.0 -8.8 35 35 A G S S- 0 0 16 -2,-0.5 37,-0.1 2,-0.3 -23,-0.0 -0.963 72.9 -99.9-172.4 173.9 7.0 -22.3 -11.6 36 36 A H S S+ 0 0 106 -2,-0.3 36,-3.2 35,-0.1 37,-0.2 0.877 111.4 42.3 -75.9 -35.9 3.6 -22.0 -13.1 37 37 A S S S- 0 0 1 34,-0.3 -2,-0.3 35,-0.2 37,-0.1 -0.000 126.4 -69.8 -83.0-160.8 2.4 -25.2 -11.4 38 38 A D - 0 0 21 35,-2.2 -17,-0.3 32,-0.1 -5,-0.2 0.549 67.4-129.5 -69.6 -3.4 3.2 -25.9 -7.7 39 39 A A + 0 0 0 1,-0.2 2,-1.3 34,-0.2 3,-0.1 0.727 38.3 177.1 65.9 30.0 6.7 -26.4 -9.2 40 40 A D > - 0 0 0 1,-0.2 4,-2.3 -18,-0.1 5,-0.2 -0.457 9.1-170.4 -70.4 95.1 7.3 -29.8 -7.6 41 41 A V H > S+ 0 0 0 -2,-1.3 4,-1.9 -20,-0.4 -1,-0.2 0.833 79.5 50.3 -61.1 -36.8 10.7 -30.5 -9.1 42 42 A L H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.945 111.4 46.5 -68.7 -47.3 10.8 -34.2 -7.9 43 43 A L H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.873 111.2 52.7 -66.3 -35.5 7.4 -35.1 -9.2 44 44 A H H X S+ 0 0 9 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.934 108.8 49.8 -64.3 -43.8 8.1 -33.5 -12.5 45 45 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.924 113.7 45.5 -58.4 -44.7 11.3 -35.5 -12.9 46 46 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.893 111.1 53.2 -65.2 -40.0 9.5 -38.7 -12.1 47 47 A T H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.931 110.1 47.7 -61.4 -45.9 6.6 -37.8 -14.5 48 48 A D H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -41,-0.2 0.899 109.6 53.3 -62.4 -41.5 9.1 -37.2 -17.3 49 49 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.890 111.1 47.2 -60.1 -40.0 10.9 -40.6 -16.6 50 50 A L H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.943 113.4 45.4 -71.0 -46.2 7.5 -42.4 -16.8 51 51 A F H <>S+ 0 0 0 -4,-2.6 5,-3.1 1,-0.2 6,-0.4 0.894 114.2 53.0 -59.5 -35.5 6.4 -40.7 -20.0 52 52 A G H ><5S+ 0 0 0 -4,-2.4 3,-1.3 -5,-0.2 -2,-0.2 0.911 105.7 50.5 -67.7 -43.4 9.9 -41.4 -21.3 53 53 A A H 3<5S+ 0 0 1 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.855 114.1 45.7 -64.8 -31.9 9.9 -45.1 -20.5 54 54 A A T 3<5S- 0 0 5 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.409 111.2-122.7 -89.1 1.2 6.5 -45.5 -22.3 55 55 A A T < 5S+ 0 0 12 -3,-1.3 -3,-0.2 -4,-0.2 234,-0.1 0.895 70.6 134.3 52.1 47.6 7.8 -43.4 -25.3 56 56 A L < - 0 0 32 -5,-3.1 2,-0.5 1,-0.3 -4,-0.2 0.108 66.1-115.2-110.2 18.6 5.0 -40.9 -24.8 57 57 A G - 0 0 7 -6,-0.4 -1,-0.3 -5,-0.1 2,-0.3 -0.724 49.8 -56.6 92.0-127.7 7.0 -37.7 -25.1 58 58 A D >> - 0 0 23 -2,-0.5 4,-1.5 -3,-0.1 3,-0.5 -0.872 51.2 -83.7-150.5 177.4 7.3 -35.4 -22.0 59 59 A I H 3> S+ 0 0 20 -2,-0.3 4,-2.5 1,-0.2 -1,-0.0 0.865 120.5 56.7 -62.6 -34.6 5.4 -33.5 -19.5 60 60 A G H 34 S+ 0 0 49 233,-0.2 -1,-0.2 1,-0.2 5,-0.2 0.854 105.0 53.3 -66.2 -35.0 5.0 -30.4 -21.7 61 61 A R H <4 S+ 0 0 153 -3,-0.5 3,-0.2 1,-0.2 -1,-0.2 0.923 117.4 36.8 -62.5 -42.3 3.3 -32.5 -24.4 62 62 A H H < S+ 0 0 33 -4,-1.5 2,-0.5 1,-0.2 -2,-0.2 0.822 122.7 36.0 -85.2 -30.8 0.8 -33.9 -21.9 63 63 A F S < S- 0 0 22 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.1 -0.833 82.0-141.2-133.4 86.9 0.0 -30.9 -19.6 64 64 A S > - 0 0 59 -2,-0.5 3,-1.5 -3,-0.2 6,-0.2 -0.279 4.3-145.1 -54.2 121.3 -0.0 -27.6 -21.5 65 65 A D T 3 S+ 0 0 102 1,-0.2 -1,-0.2 -5,-0.2 -5,-0.0 0.353 98.0 56.8 -72.4 5.9 1.6 -24.9 -19.4 66 66 A T T 3 S+ 0 0 119 4,-0.0 -1,-0.2 5,-0.0 -2,-0.1 0.361 78.1 107.8-114.7 0.3 -0.8 -22.3 -20.8 67 67 A D S X> S- 0 0 62 -3,-1.5 3,-1.8 1,-0.1 4,-0.6 -0.615 78.6-127.0 -68.2 132.4 -4.0 -24.2 -19.8 68 68 A P G >4 S+ 0 0 114 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.802 108.8 63.0 -51.0 -33.4 -5.6 -22.3 -16.9 69 69 A R G 34 S+ 0 0 208 1,-0.2 -4,-0.1 -5,-0.1 -2,-0.0 0.695 91.5 65.4 -67.2 -20.5 -5.6 -25.6 -14.8 70 70 A F G X4 S+ 0 0 32 -3,-1.8 3,-2.4 -6,-0.2 2,-0.3 0.826 76.7 98.3 -72.0 -29.4 -1.8 -25.6 -15.0 71 71 A K T << S- 0 0 51 -3,-0.8 -34,-0.3 -4,-0.6 -35,-0.1 -0.452 109.6 -7.7 -64.3 117.6 -1.5 -22.5 -12.9 72 72 A G T 3 S+ 0 0 57 -36,-3.2 -1,-0.3 -2,-0.3 -35,-0.2 0.624 97.1 177.3 70.9 14.8 -0.9 -23.7 -9.3 73 73 A A < - 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