==== 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 23-JUL-09 3IEQ . 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 . 459 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16509.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 313 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 92 20.0 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 0.7 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 . 27 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 112 24.4 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 1 2 3 3 0 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 1 5 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 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 89 0, 0.0 2,-1.4 0, 0.0 156,-0.0 0.000 360.0 360.0 360.0 25.7 9.7 -59.3 -20.5 2 2 A D + 0 0 35 2,-0.0 156,-2.8 248,-0.0 2,-0.1 -0.560 360.0 176.2 -90.2 72.0 9.2 -56.2 -22.6 3 3 A F E -A 157 0A 3 -2,-1.4 2,-0.3 154,-0.2 154,-0.3 -0.445 10.6-176.8 -80.3 147.7 11.1 -53.8 -20.2 4 4 A R E -A 156 0A 6 152,-2.3 152,-2.7 -2,-0.1 2,-0.3 -0.991 11.3-148.3-139.8 148.6 11.8 -50.1 -20.9 5 5 A I E -A 155 0A 5 -2,-0.3 2,-0.3 150,-0.2 150,-0.2 -0.872 11.1-174.0-115.0 150.2 13.7 -47.4 -19.0 6 6 A G E -A 154 0A 1 148,-2.1 148,-2.2 -2,-0.3 2,-0.3 -0.952 6.2-158.7-133.7 157.0 13.1 -43.7 -18.7 7 7 A Q E -A 153 0A 22 -2,-0.3 2,-0.3 146,-0.2 146,-0.2 -0.969 8.4-162.5-134.8 151.8 15.1 -40.9 -17.2 8 8 A G E -A 152 0A 2 144,-2.7 144,-2.1 -2,-0.3 2,-0.3 -0.971 8.3-171.1-139.6 153.7 14.0 -37.4 -16.0 9 9 A Y E +A 151 0A 5 -2,-0.3 2,-0.3 142,-0.2 142,-0.2 -0.998 11.5 164.6-140.8 137.1 15.5 -34.1 -15.1 10 10 A D E +A 150 0A 6 140,-2.2 140,-2.7 -2,-0.3 2,-0.3 -0.992 7.8 179.2-149.5 152.0 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 -0.988 3.8-176.4-144.5 147.1 15.2 -27.7 -12.0 12 12 A H E -A 148 0A 10 136,-1.8 136,-2.0 -2,-0.3 2,-0.1 -0.995 31.5-105.6-139.8 149.9 13.4 -24.7 -10.5 13 13 A Q E -A 147 0A 52 21,-0.5 21,-2.6 -2,-0.3 2,-0.7 -0.454 28.3-133.0 -69.1 141.8 14.4 -21.4 -9.0 14 14 A L E +E 33 0B 12 132,-2.0 19,-0.2 19,-0.2 -1,-0.1 -0.894 40.5 164.0 -98.4 111.9 14.1 -21.0 -5.3 15 15 A V E > -E 32 0B 31 17,-3.0 17,-3.0 -2,-0.7 3,-0.6 -0.872 38.6 -97.1-129.1 159.0 12.4 -17.6 -4.6 16 16 A P E 3 S+E 31 0B 101 0, 0.0 15,-0.2 0, 0.0 14,-0.1 -0.298 100.0 35.9 -67.6 159.2 10.6 -15.8 -1.7 17 17 A G T 3 S+ 0 0 81 13,-0.6 14,-0.1 1,-0.2 13,-0.1 0.602 94.3 104.4 76.9 13.7 6.8 -15.7 -1.5 18 18 A R S < S- 0 0 69 -3,-0.6 -1,-0.2 12,-0.2 2,-0.2 -0.938 73.3-111.1-126.2 147.5 6.3 -19.3 -2.8 19 19 A P - 0 0 72 0, 0.0 14,-0.9 0, 0.0 2,-0.9 -0.517 28.8-128.4 -70.0 143.0 5.3 -22.6 -1.1 20 20 A L E +F 27 0C 3 7,-0.5 7,-3.0 12,-0.3 2,-0.5 -0.858 36.9 171.5 -94.2 106.0 8.1 -25.2 -1.0 21 21 A I E +F 26 0C 26 -2,-0.9 2,-0.4 17,-0.4 20,-0.4 -0.958 4.5 162.9-121.4 114.2 6.5 -28.3 -2.4 22 22 A I E > S-F 25 0C 0 3,-1.9 3,-1.8 -2,-0.5 18,-0.1 -0.995 74.0 -5.5-133.8 125.9 8.8 -31.3 -3.2 23 23 A G T 3 S- 0 0 0 -2,-0.4 94,-0.2 1,-0.3 95,-0.2 0.820 128.9 -60.7 59.3 31.3 7.4 -34.9 -3.7 24 24 A G T 3 S+ 0 0 21 1,-0.2 2,-0.5 93,-0.1 -1,-0.3 0.418 110.3 125.2 78.9 -0.3 4.0 -33.5 -2.7 25 25 A V E < -F 22 0C 18 -3,-1.8 -3,-1.9 85,-0.0 2,-0.7 -0.813 58.6-139.0 -97.1 124.5 5.2 -32.5 0.7 26 26 A T E -F 21 0C 100 -2,-0.5 -5,-0.2 -5,-0.2 -3,-0.0 -0.758 25.7-158.2 -80.3 113.3 4.8 -28.9 1.8 27 27 A I E -F 20 0C 6 -7,-3.0 -7,-0.5 -2,-0.7 2,-0.3 -0.848 20.5-115.6-102.3 125.6 8.0 -28.0 3.6 28 28 A P + 0 0 110 0, 0.0 2,-0.3 0, 0.0 -1,-0.0 -0.442 61.1 136.6 -57.3 114.4 8.3 -25.2 6.1 29 29 A Y - 0 0 63 -2,-0.3 -9,-0.2 76,-0.1 -2,-0.0 -0.969 64.3-125.3-162.9 149.9 10.7 -22.7 4.5 30 30 A E S S+ 0 0 160 -2,-0.3 -13,-0.6 -14,-0.1 2,-0.3 0.574 99.2 42.0 -74.1 -11.6 11.1 -19.0 3.8 31 31 A R E -E 16 0B 63 -15,-0.2 2,-0.3 -14,-0.1 -11,-0.1 -0.903 66.3-169.6-130.1 163.9 11.4 -19.7 0.1 32 32 A G E -E 15 0B 0 -17,-3.0 -17,-3.0 -2,-0.3 2,-0.3 -0.876 34.4 -79.7-142.6 177.2 9.7 -22.0 -2.5 33 33 A L E -E 14 0B 0 -14,-0.9 2,-0.5 -2,-0.3 -19,-0.2 -0.626 39.3-134.2 -88.1 137.7 10.1 -23.2 -6.1 34 34 A L + 0 0 68 -21,-2.6 -21,-0.5 -2,-0.3 2,-0.3 -0.799 47.5 114.6 -95.4 125.0 9.0 -20.9 -8.9 35 35 A G S S- 0 0 18 -2,-0.5 37,-0.1 2,-0.3 -23,-0.0 -0.961 73.1 -94.4-166.3 177.9 7.0 -22.4 -11.8 36 36 A H S S+ 0 0 62 -2,-0.3 36,-3.4 35,-0.1 37,-0.2 0.916 113.8 34.9 -68.6 -46.0 3.6 -22.3 -13.6 37 37 A S S S- 0 0 11 34,-0.3 -2,-0.3 35,-0.2 35,-0.2 -0.002 127.9 -64.4 -84.5-162.1 2.3 -25.2 -11.5 38 38 A D - 0 0 20 35,-2.5 -17,-0.4 33,-0.1 -5,-0.3 0.536 69.8-127.3 -63.8 -4.0 3.2 -25.8 -7.8 39 39 A A + 0 0 0 1,-0.2 2,-1.3 34,-0.2 3,-0.1 0.781 39.5 177.5 63.8 32.4 6.7 -26.3 -9.3 40 40 A D > - 0 0 0 1,-0.2 4,-2.1 -18,-0.1 -1,-0.2 -0.522 8.6-170.2 -70.6 95.1 7.3 -29.7 -7.6 41 41 A V H > S+ 0 0 0 -2,-1.3 4,-1.9 -20,-0.4 -1,-0.2 0.834 79.7 50.0 -60.1 -39.6 10.7 -30.4 -9.1 42 42 A L H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.941 112.3 46.0 -66.4 -47.4 10.9 -34.1 -7.9 43 43 A L H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.849 111.6 52.2 -67.2 -33.8 7.5 -35.0 -9.3 44 44 A H H X S+ 0 0 19 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.886 109.3 50.0 -67.3 -41.1 8.2 -33.3 -12.6 45 45 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.917 113.5 45.8 -61.7 -43.2 11.4 -35.3 -12.9 46 46 A I H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.887 111.0 52.3 -67.7 -40.9 9.6 -38.6 -12.2 47 47 A T H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.934 109.8 49.7 -59.4 -47.9 6.7 -37.7 -14.6 48 48 A D H X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.2 -41,-0.2 0.904 108.8 52.6 -57.6 -43.0 9.3 -37.1 -17.3 49 49 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 105,-0.2 0.876 111.8 46.1 -62.1 -38.6 11.0 -40.4 -16.6 50 50 A L H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.934 112.5 47.2 -72.4 -48.9 7.7 -42.3 -16.9 51 51 A F H <>S+ 0 0 0 -4,-2.6 5,-3.2 1,-0.2 6,-0.3 0.895 113.8 53.0 -54.2 -39.3 6.5 -40.6 -20.1 52 52 A G H ><5S+ 0 0 0 -4,-2.1 3,-1.0 -5,-0.3 -2,-0.2 0.891 105.7 50.0 -66.4 -44.0 10.1 -41.3 -21.4 53 53 A A H 3<5S+ 0 0 1 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.835 114.7 45.4 -61.0 -34.8 10.0 -45.0 -20.6 54 54 A A T 3<5S- 0 0 6 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.389 112.6-121.4 -90.9 3.0 6.7 -45.4 -22.4 55 55 A A T < 5 + 0 0 13 -3,-1.0 -3,-0.2 -4,-0.2 230,-0.1 0.897 69.5 135.9 53.4 49.8 8.0 -43.2 -25.3 56 56 A L < - 0 0 32 -5,-3.2 2,-0.4 1,-0.4 -4,-0.2 0.057 65.3-113.6-112.8 22.7 5.2 -40.7 -24.8 57 57 A G - 0 0 7 -6,-0.3 -1,-0.4 -5,-0.1 2,-0.2 -0.670 53.5 -52.1 84.0-133.2 7.2 -37.5 -25.2 58 58 A D > - 0 0 22 -2,-0.4 4,-1.3 -3,-0.1 3,-0.4 -0.836 51.1 -88.3-141.8 176.0 7.6 -35.3 -22.1 59 59 A I H > S+ 0 0 25 -2,-0.2 4,-3.1 1,-0.2 3,-0.2 0.844 121.2 54.1 -58.9 -39.3 5.7 -33.5 -19.3 60 60 A G H 4 S+ 0 0 35 229,-0.2 -1,-0.2 1,-0.2 5,-0.2 0.854 102.7 57.0 -65.4 -36.7 5.2 -30.3 -21.4 61 61 A R H 4 S+ 0 0 153 -3,-0.4 3,-0.3 1,-0.2 -1,-0.2 0.887 119.1 32.3 -58.0 -38.7 3.7 -32.2 -24.3 62 62 A H H < S+ 0 0 32 -4,-1.3 2,-0.4 1,-0.2 -2,-0.2 0.827 130.4 31.8 -89.4 -35.5 1.0 -33.6 -21.9 63 63 A F S < S- 0 0 16 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.1 -0.769 91.4-131.3-131.3 85.6 0.6 -30.7 -19.5 64 64 A S > - 0 0 41 -2,-0.4 3,-1.0 -3,-0.3 6,-0.2 -0.037 1.5-141.4 -47.8 125.6 1.2 -27.4 -21.3 65 65 A D T 3 S+ 0 0 106 1,-0.2 -1,-0.1 -5,-0.2 -29,-0.1 0.617 102.4 37.6 -57.5 -19.5 3.7 -25.0 -19.6 66 66 A T T 3 S+ 0 0 120 5,-0.0 -1,-0.2 -30,-0.0 -2,-0.1 0.386 82.3 117.7-120.2 -1.0 1.5 -22.1 -20.6 67 67 A D X - 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0 0 11 -5,-2.1 2,-0.4 65,-0.0 -1,-0.3 -0.803 42.2-156.0-108.1 139.6 2.9 -50.4 -19.4 92 92 A A E -B 157 0A 54 65,-2.5 65,-1.9 -2,-0.4 2,-0.4 -0.871 28.7-118.7-101.3 145.3 3.0 -51.4 -15.7 93 93 A I E +B 156 0A 22 -2,-0.4 63,-0.3 29,-0.2 3,-0.1 -0.724 28.7 180.0 -86.0 133.1 5.5 -49.5 -13.5 94 94 A R E - 0 0 67 61,-3.0 2,-0.3 -2,-0.4 62,-0.2 0.836 60.5 -22.8 -97.7 -45.8 8.2 -51.7 -11.9 95 95 A N E -B 155 0A 3 60,-1.6 60,-2.3 2,-0.0 2,-0.4 -0.990 45.6-150.1-162.1 163.1 10.2 -49.1 -9.9 96 96 A V E +Bc 154 129A 1 32,-2.1 34,-1.6 -2,-0.3 2,-0.3 -0.999 12.3 179.8-134.3 135.6 11.3 -45.5 -9.5 97 97 A D E +B 153 0A 0 56,-2.4 56,-2.8 -2,-0.4 2,-0.3 -0.945 12.9 167.3-129.4 155.9 14.5 -44.0 -8.1 98 98 A S E -B 152 0A 0 32,-0.4 34,-1.6 -2,-0.3 2,-0.3 -0.978 23.4-145.9-161.0 164.8 15.3 -40.4 -7.8 99 99 A T E -Bd 151 132A 0 52,-2.3 52,-2.7 -2,-0.3 2,-0.5 -0.993 6.2-156.2-140.9 139.1 17.6 -37.7 -6.3 100 100 A I E -Bd 150 133A 0 32,-2.1 34,-2.1 -2,-0.3 2,-0.6 -0.974 9.4-156.7-109.7 128.4 17.0 -34.2 -5.1 101 101 A I E +Bd 149 134A 0 48,-3.0 48,-1.9 -2,-0.5 2,-0.3 -0.928 30.8 147.2-107.1 116.7 19.9 -31.8 -5.1 102 102 A A - 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