==== 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 3IEW . COMPND 2 MOLECULE: 2-C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE SYNT . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA PSEUDOMALLEI; . AUTHOR B.L.STAKER . 459 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16231.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 316 68.8 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 . 95 20.7 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 . 42 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 24.8 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 2 5 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 4 1 0 0 0 0 1 2 3 0 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 0 A S 0 0 101 0, 0.0 159,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -61.2 5.8 -59.6 -19.8 2 1 A M + 0 0 45 157,-0.1 2,-1.6 158,-0.1 158,-0.1 -0.008 360.0 115.6-119.7 19.9 9.6 -59.2 -20.5 3 2 A D + 0 0 29 156,-0.4 156,-2.4 2,-0.0 2,-0.1 -0.496 47.9 173.4 -88.5 70.0 8.9 -56.0 -22.5 4 3 A F E -A 158 0A 2 -2,-1.6 2,-0.3 154,-0.2 154,-0.2 -0.416 11.6-173.8 -81.6 152.4 10.8 -53.7 -20.1 5 4 A R E -A 157 0A 5 152,-2.1 152,-2.3 -2,-0.1 2,-0.3 -0.993 11.1-145.6-144.2 143.9 11.5 -50.0 -20.8 6 5 A I E -A 156 0A 5 -2,-0.3 2,-0.3 150,-0.2 150,-0.2 -0.843 13.9-177.0-111.3 152.3 13.6 -47.3 -19.1 7 6 A G E -A 155 0A 1 148,-2.1 148,-2.2 -2,-0.3 2,-0.3 -0.950 5.3-163.5-138.9 156.3 12.9 -43.6 -18.7 8 7 A Q E -A 154 0A 20 -2,-0.3 2,-0.3 41,-0.2 146,-0.2 -0.976 6.0-166.5-140.4 155.7 14.8 -40.7 -17.2 9 8 A G E -A 153 0A 1 144,-2.3 144,-2.1 -2,-0.3 2,-0.3 -0.985 7.8-167.9-148.0 155.5 13.9 -37.2 -16.2 10 9 A Y E +A 152 0A 5 -2,-0.3 2,-0.3 142,-0.2 142,-0.2 -0.997 11.6 166.3-142.2 136.9 15.4 -33.9 -15.1 11 10 A D E -A 151 0A 0 140,-2.3 140,-2.7 -2,-0.3 2,-0.3 -0.991 7.7-177.7-147.6 154.5 14.0 -30.8 -13.7 12 11 A V E -A 150 0A 0 -2,-0.3 2,-0.3 138,-0.2 138,-0.2 -0.981 3.4-175.9-143.4 150.6 15.2 -27.5 -12.0 13 12 A H E -A 149 0A 10 136,-1.7 136,-2.0 -2,-0.3 23,-0.1 -0.992 30.8-107.1-143.5 146.9 13.4 -24.5 -10.5 14 13 A Q E -AB 148 35A 56 21,-0.5 21,-2.6 -2,-0.3 2,-0.6 -0.421 28.1-131.5 -68.9 145.6 14.5 -21.2 -9.0 15 14 A L E + B 0 34A 13 132,-2.1 19,-0.2 19,-0.2 -1,-0.1 -0.905 40.4 166.7 -98.7 119.5 14.2 -20.9 -5.3 16 15 A V E > - B 0 33A 27 17,-3.4 17,-3.0 -2,-0.6 3,-0.7 -0.889 37.6 -95.8-134.1 162.8 12.6 -17.5 -4.5 17 16 A P E 3 S+ B 0 32A 104 0, 0.0 15,-0.2 0, 0.0 14,-0.1 -0.452 100.2 29.7 -75.2 152.5 10.9 -15.6 -1.6 18 17 A G T 3 S+ 0 0 79 13,-0.7 14,-0.1 1,-0.2 13,-0.1 0.636 93.5 102.7 79.4 15.8 7.1 -15.7 -1.2 19 18 A R S < S- 0 0 71 -3,-0.7 -1,-0.2 12,-0.1 2,-0.2 -0.950 75.2-107.7-122.8 149.4 6.4 -19.1 -2.7 20 19 A P - 0 0 74 0, 0.0 2,-0.9 0, 0.0 14,-0.9 -0.510 28.2-124.9 -70.6 142.4 5.6 -22.4 -0.9 21 20 A L E +F 28 0B 2 7,-0.5 7,-3.6 12,-0.3 2,-0.5 -0.830 39.6 170.4 -88.9 103.7 8.4 -25.0 -0.9 22 21 A I E +F 27 0B 26 -2,-0.9 2,-0.4 17,-0.3 20,-0.4 -0.965 4.1 161.7-120.6 112.6 6.7 -28.1 -2.3 23 22 A I E > S-F 26 0B 0 3,-2.1 3,-1.8 -2,-0.5 18,-0.1 -0.998 74.3 -1.5-132.2 129.1 8.8 -31.2 -3.2 24 23 A G T 3 S- 0 0 0 -2,-0.4 94,-0.2 1,-0.3 95,-0.2 0.828 129.3 -63.5 61.1 31.2 7.4 -34.7 -3.6 25 24 A G T 3 S+ 0 0 21 1,-0.2 2,-0.5 93,-0.1 -1,-0.3 0.461 110.6 124.9 71.0 1.3 4.1 -33.2 -2.7 26 25 A V E < -F 23 0B 19 -3,-1.8 -3,-2.1 85,-0.0 2,-0.7 -0.821 60.0-137.0 -94.0 128.5 5.4 -32.3 0.8 27 26 A T E -F 22 0B 98 -2,-0.5 -5,-0.2 -5,-0.2 -3,-0.0 -0.774 24.8-156.6 -83.0 114.1 5.1 -28.7 1.9 28 27 A I E -F 21 0B 4 -7,-3.6 -7,-0.5 -2,-0.7 2,-0.3 -0.833 20.3-115.7-100.5 126.7 8.4 -27.9 3.6 29 28 A P + 0 0 108 0, 0.0 2,-0.3 0, 0.0 -1,-0.0 -0.418 60.8 139.0 -61.2 118.3 8.7 -25.1 6.1 30 29 A Y - 0 0 51 -2,-0.3 -9,-0.2 1,-0.1 -2,-0.0 -0.948 63.5-126.5-164.3 146.2 11.0 -22.7 4.5 31 30 A E S S+ 0 0 146 -2,-0.3 -13,-0.7 -11,-0.1 2,-0.3 0.618 99.7 40.9 -71.6 -13.7 11.5 -18.9 4.0 32 31 A R E -B 17 0A 58 -15,-0.2 2,-0.3 -14,-0.1 -11,-0.1 -0.866 67.7-170.0-126.6 166.7 11.7 -19.6 0.2 33 32 A G E -B 16 0A 0 -17,-3.0 -17,-3.4 -2,-0.3 2,-0.3 -0.915 33.6 -76.5-148.1 176.6 9.9 -21.8 -2.3 34 33 A L E -B 15 0A 0 -14,-0.9 2,-0.5 -2,-0.3 -19,-0.2 -0.575 37.7-138.9 -86.4 135.6 10.1 -23.0 -5.9 35 34 A L E +B 14 0A 71 -21,-2.6 -21,-0.5 -2,-0.3 2,-0.3 -0.803 45.9 113.3 -95.8 125.1 9.1 -20.7 -8.8 36 35 A G S S- 0 0 17 -2,-0.5 37,-0.1 2,-0.3 -23,-0.0 -0.960 72.9 -93.4-169.1 179.1 7.1 -22.2 -11.7 37 36 A H S S+ 0 0 78 -2,-0.3 36,-3.5 35,-0.1 37,-0.2 0.923 113.4 35.7 -71.7 -47.5 3.7 -22.1 -13.5 38 37 A S S S- 0 0 14 34,-0.3 -2,-0.3 35,-0.2 37,-0.1 -0.024 128.4 -64.4 -80.6-163.7 2.4 -25.1 -11.5 39 38 A D - 0 0 21 35,-2.2 -17,-0.3 1,-0.1 -5,-0.2 0.460 69.6-124.6 -67.4 0.8 3.3 -25.6 -7.8 40 39 A A + 0 0 0 1,-0.2 2,-1.3 34,-0.1 3,-0.1 0.736 42.4 174.9 67.2 28.0 6.8 -26.1 -9.2 41 40 A D > - 0 0 0 1,-0.2 4,-2.2 -18,-0.1 -1,-0.2 -0.514 8.8-172.4 -72.3 95.2 7.3 -29.5 -7.6 42 41 A V H > S+ 0 0 0 -2,-1.3 4,-1.9 -20,-0.4 -1,-0.2 0.870 78.3 51.0 -62.1 -38.1 10.7 -30.2 -9.1 43 42 A L H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.937 111.1 46.2 -67.4 -47.9 10.9 -33.9 -7.9 44 43 A L H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.865 110.8 53.0 -65.5 -35.8 7.4 -34.9 -9.2 45 44 A H H X S+ 0 0 10 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.908 108.7 50.2 -64.9 -41.4 8.1 -33.2 -12.6 46 45 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 107,-0.2 0.897 113.2 45.5 -60.0 -44.3 11.3 -35.2 -13.0 47 46 A I H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.905 111.8 52.9 -68.5 -38.3 9.5 -38.4 -12.1 48 47 A T H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.923 110.0 47.4 -60.0 -46.9 6.6 -37.5 -14.5 49 48 A D H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -41,-0.2 0.899 109.9 53.3 -61.8 -41.5 9.1 -36.9 -17.4 50 49 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.906 110.2 47.7 -61.8 -40.2 10.8 -40.2 -16.6 51 50 A L H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.948 112.9 45.4 -68.7 -50.5 7.5 -42.1 -16.8 52 51 A F H <>S+ 0 0 0 -4,-2.4 5,-2.8 1,-0.2 4,-0.3 0.899 113.5 54.6 -54.5 -40.1 6.4 -40.5 -20.1 53 52 A G H ><5S+ 0 0 1 -4,-2.5 3,-1.0 -5,-0.2 -2,-0.2 0.899 105.5 49.5 -62.3 -43.9 9.9 -41.2 -21.3 54 53 A A H 3<5S+ 0 0 1 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.877 115.4 44.7 -62.9 -37.8 9.8 -44.9 -20.5 55 54 A A T 3<5S- 0 0 7 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.393 110.6-122.8 -85.6 -1.1 6.5 -45.2 -22.3 56 55 A A T < 5 + 0 0 13 -3,-1.0 -3,-0.2 -4,-0.3 228,-0.1 0.923 69.2 135.0 54.3 50.9 7.7 -43.1 -25.3 57 56 A L < - 0 0 32 -5,-2.8 2,-0.3 1,-0.4 -4,-0.2 0.085 66.0-114.7-113.7 20.3 4.9 -40.6 -24.8 58 57 A G - 0 0 6 -6,-0.3 -1,-0.4 -5,-0.1 2,-0.2 -0.670 51.3 -50.5 85.7-135.0 7.0 -37.4 -25.2 59 58 A D > - 0 0 22 -2,-0.3 4,-1.3 -3,-0.1 3,-0.4 -0.801 51.2 -89.3-139.3 177.6 7.4 -35.1 -22.2 60 59 A I H > S+ 0 0 22 1,-0.2 4,-2.9 -2,-0.2 3,-0.3 0.877 121.7 55.8 -62.3 -38.6 5.6 -33.2 -19.6 61 60 A G H 4 S+ 0 0 33 227,-0.2 -1,-0.2 1,-0.2 6,-0.1 0.877 103.0 55.2 -59.2 -40.2 5.2 -30.1 -21.8 62 61 A R H 4 S+ 0 0 148 -3,-0.4 3,-0.3 1,-0.2 -1,-0.2 0.890 119.3 32.6 -59.1 -37.7 3.5 -32.2 -24.6 63 62 A H H < S+ 0 0 32 -4,-1.3 -2,-0.2 -3,-0.3 2,-0.2 0.837 134.3 21.3 -91.0 -36.9 0.8 -33.4 -22.1 64 63 A F S < S- 0 0 16 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.1 -0.670 84.2-157.1-137.0 71.2 0.4 -30.5 -19.6 65 64 A S > - 0 0 39 -3,-0.3 3,-2.4 -2,-0.2 6,-0.3 -0.301 19.1-141.7 -67.6 131.6 1.6 -27.3 -21.5 66 65 A D T 3 S+ 0 0 114 1,-0.3 -1,-0.1 -2,-0.1 -5,-0.0 0.597 102.7 69.2 -64.7 -11.4 2.7 -24.2 -19.5 67 66 A T T 3 S+ 0 0 116 -6,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.553 83.8 87.0 -76.3 -12.1 1.0 -22.2 -22.2 68 67 A D S X S- 0 0 41 -3,-2.4 3,-1.1 1,-0.1 -4,-0.0 -0.826 71.3-151.1 -92.3 121.6 -2.3 -23.5 -20.8 69 68 A P G > S+ 0 0 104 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.671 86.0 75.7 -65.4 -18.0 -3.8 -21.4 -18.0 70 69 A R G 3 S+ 0 0 191 1,-0.3 -4,-0.1 3,-0.0 -2,-0.0 0.779 91.2 55.6 -67.5 -26.0 -5.6 -24.4 -16.3 71 70 A F G X S+ 0 0 33 -3,-1.1 3,-2.0 -6,-0.3 2,-0.4 0.231 74.9 130.9 -89.5 13.5 -2.3 -25.7 -14.9 72 71 A K T < S- 0 0 60 -3,-1.6 -34,-0.3 1,-0.3 3,-0.1 -0.574 93.0 -5.1 -68.0 121.7 -1.6 -22.3 -13.2 73 72 A G T 3 S+ 0 0 56 -36,-3.5 -1,-0.3 -2,-0.4 -35,-0.2 0.673 101.4 179.5 61.4 19.1 -0.7 -23.3 -9.6 74 73 A A < - 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