==== 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 25-SEP-09 3K14 . 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 . 455 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16158.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 308 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 92 20.2 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 . 26 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 112 24.6 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 94 0, 0.0 2,-1.9 0, 0.0 156,-0.0 0.000 360.0 360.0 360.0 25.3 9.7 -59.4 -20.5 2 2 A D + 0 0 38 2,-0.0 156,-2.7 244,-0.0 2,-0.1 -0.526 360.0 174.5 -86.3 71.2 9.2 -56.3 -22.6 3 3 A F E -A 157 0A 4 -2,-1.9 2,-0.3 154,-0.2 154,-0.2 -0.465 11.1-175.8 -79.8 152.4 11.0 -54.0 -20.2 4 4 A R E -A 156 0A 4 152,-2.2 152,-2.6 -2,-0.1 2,-0.3 -0.991 11.7-146.1-145.1 147.6 11.8 -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 -0.843 12.6-173.6-114.1 152.9 13.7 -47.7 -19.0 6 6 A G E -A 154 0A 1 148,-2.4 148,-2.1 -2,-0.3 2,-0.3 -0.948 6.2-157.9-137.9 159.8 13.2 -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 -0.983 7.1-164.6-139.2 149.3 15.1 -41.0 -17.1 8 8 A G E -A 152 0A 2 144,-2.6 144,-2.3 -2,-0.3 2,-0.3 -0.976 6.8-173.0-138.5 151.4 14.0 -37.6 -16.0 9 9 A Y E +A 151 0A 4 -2,-0.3 2,-0.3 142,-0.2 142,-0.2 -0.997 11.1 166.3-137.1 140.7 15.6 -34.2 -15.1 10 10 A D E -A 150 0A 5 140,-2.4 140,-2.7 -2,-0.3 2,-0.3 -0.992 8.5-179.6-151.0 152.9 14.0 -31.1 -13.6 11 11 A V E -A 149 0A 0 -2,-0.3 2,-0.3 138,-0.2 138,-0.2 -0.987 3.6-176.8-145.6 144.7 15.2 -27.8 -12.0 12 12 A H E -A 148 0A 11 136,-1.7 136,-2.1 -2,-0.3 2,-0.1 -0.994 30.8-107.1-137.5 148.6 13.3 -24.8 -10.7 13 13 A Q E -A 147 0A 50 21,-0.4 21,-2.5 -2,-0.3 2,-0.6 -0.415 28.1-130.2 -67.3 147.0 14.4 -21.5 -9.2 14 14 A L E +E 33 0B 13 132,-2.3 19,-0.2 19,-0.2 -1,-0.1 -0.895 39.5 165.9-102.2 120.3 14.0 -21.0 -5.5 15 15 A V E > -E 32 0B 28 17,-3.1 17,-3.0 -2,-0.6 3,-0.7 -0.932 37.9 -98.6-135.1 155.2 12.3 -17.7 -4.7 16 16 A P E 3 S+E 31 0B 102 0, 0.0 15,-0.2 0, 0.0 14,-0.1 -0.350 99.4 34.0 -67.2 154.1 10.5 -15.9 -1.8 17 17 A G T 3 S+ 0 0 81 13,-0.8 14,-0.1 1,-0.2 13,-0.1 0.638 92.7 102.1 81.1 16.2 6.7 -15.9 -1.6 18 18 A R S < S- 0 0 70 -3,-0.7 -1,-0.2 12,-0.2 2,-0.1 -0.961 75.4-108.0-125.3 146.3 6.1 -19.4 -3.0 19 19 A P - 0 0 73 0, 0.0 14,-0.9 0, 0.0 2,-0.8 -0.455 29.2-128.0 -63.2 142.8 5.2 -22.7 -1.1 20 20 A L E +F 27 0C 2 7,-0.5 7,-3.0 12,-0.3 2,-0.5 -0.882 38.3 170.5 -94.2 107.9 8.1 -25.2 -1.1 21 21 A I E +F 26 0C 27 -2,-0.8 2,-0.4 17,-0.4 20,-0.4 -0.972 3.9 164.0-126.0 115.5 6.5 -28.4 -2.4 22 22 A I E > S-F 25 0C 0 3,-2.1 3,-1.8 -2,-0.5 18,-0.1 -0.997 73.0 -2.4-133.7 129.1 8.7 -31.4 -3.2 23 23 A G T 3 S- 0 0 0 -2,-0.4 94,-0.2 1,-0.3 95,-0.2 0.828 130.2 -60.8 59.2 30.8 7.5 -34.9 -3.7 24 24 A G T 3 S+ 0 0 19 1,-0.2 2,-0.5 93,-0.1 -1,-0.3 0.419 110.9 125.7 78.8 -2.5 4.0 -33.6 -2.8 25 25 A V E < -F 22 0C 20 -3,-1.8 -3,-2.1 85,-0.0 2,-0.8 -0.803 58.6-139.8 -96.9 125.7 5.3 -32.5 0.6 26 26 A T E -F 21 0C 100 -2,-0.5 -5,-0.2 -5,-0.2 -3,-0.0 -0.766 25.7-160.3 -80.8 113.5 4.8 -28.9 1.8 27 27 A I E -F 20 0C 5 -7,-3.0 -7,-0.5 -2,-0.8 2,-0.2 -0.853 21.7-115.3-103.9 125.0 8.1 -28.2 3.5 28 28 A P + 0 0 108 0, 0.0 2,-0.3 0, 0.0 3,-0.0 -0.428 61.8 133.5 -58.4 122.4 8.3 -25.3 6.0 29 29 A Y - 0 0 63 -2,-0.2 -9,-0.2 76,-0.1 -2,-0.0 -0.924 64.3-121.7-173.6 146.9 10.7 -22.8 4.4 30 30 A E S S+ 0 0 161 -2,-0.3 -13,-0.8 -14,-0.1 2,-0.3 0.637 97.7 43.0 -73.9 -16.3 11.0 -19.1 3.6 31 31 A R E -E 16 0B 64 -15,-0.2 2,-0.3 -14,-0.1 -11,-0.1 -0.814 66.8-167.3-123.2 166.3 11.4 -19.7 -0.1 32 32 A G E -E 15 0B 0 -17,-3.0 -17,-3.1 -2,-0.3 2,-0.3 -0.898 33.5 -79.1-144.5 175.6 9.6 -22.0 -2.7 33 33 A L E -E 14 0B 0 -14,-0.9 2,-0.5 -2,-0.3 -19,-0.2 -0.612 39.7-135.1 -86.4 136.5 9.9 -23.2 -6.2 34 34 A L + 0 0 65 -21,-2.5 -21,-0.4 -2,-0.3 2,-0.3 -0.781 47.5 114.2 -93.3 128.5 8.9 -21.0 -9.1 35 35 A G S S- 0 0 19 -2,-0.5 37,-0.1 2,-0.3 -23,-0.0 -0.973 72.8 -95.7-173.9 175.1 6.9 -22.4 -11.9 36 36 A H S S+ 0 0 72 -2,-0.3 36,-3.3 35,-0.1 37,-0.2 0.923 113.3 35.7 -70.3 -45.1 3.5 -22.4 -13.7 37 37 A S S S- 0 0 11 34,-0.3 -2,-0.3 35,-0.2 37,-0.1 0.045 127.0 -66.5 -83.9-160.5 2.2 -25.4 -11.7 38 38 A D - 0 0 20 35,-2.2 -17,-0.4 -4,-0.1 -5,-0.2 0.517 69.3-127.8 -69.6 -2.5 3.1 -25.9 -8.0 39 39 A A + 0 0 0 1,-0.2 2,-1.4 34,-0.2 3,-0.1 0.766 39.0 177.3 66.0 32.5 6.6 -26.4 -9.4 40 40 A D > - 0 0 0 1,-0.2 4,-2.4 -18,-0.1 -1,-0.2 -0.517 8.8-170.3 -74.1 94.6 7.2 -29.8 -7.7 41 41 A V H > S+ 0 0 0 -2,-1.4 4,-2.1 -20,-0.4 -1,-0.2 0.848 80.0 49.8 -59.0 -39.2 10.7 -30.5 -9.2 42 42 A L H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.942 111.9 46.3 -67.1 -48.3 10.8 -34.1 -7.9 43 43 A L H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.883 111.5 53.0 -65.1 -36.8 7.4 -35.1 -9.3 44 44 A H H X S+ 0 0 19 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.932 108.7 49.5 -61.3 -46.5 8.1 -33.5 -12.6 45 45 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.916 113.4 46.2 -57.2 -44.7 11.4 -35.5 -13.0 46 46 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.912 110.5 53.4 -66.7 -41.9 9.6 -38.7 -12.1 47 47 A T H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.930 109.7 48.5 -55.8 -47.7 6.7 -37.8 -14.6 48 48 A D H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 -41,-0.2 0.895 109.2 52.7 -61.8 -42.0 9.3 -37.3 -17.4 49 49 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.888 111.8 46.8 -60.9 -37.9 11.0 -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 0.949 113.6 45.4 -71.9 -48.6 7.7 -42.4 -16.8 51 51 A F H <>S+ 0 0 0 -4,-2.7 5,-3.0 1,-0.2 6,-0.4 0.895 114.9 51.5 -57.8 -37.6 6.6 -40.8 -20.1 52 52 A G H ><5S+ 0 0 0 -4,-2.5 3,-1.2 -5,-0.3 -2,-0.2 0.916 106.2 51.7 -69.3 -42.2 10.1 -41.5 -21.4 53 53 A A H 3<5S+ 0 0 1 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.845 114.0 44.7 -59.7 -34.3 10.1 -45.2 -20.5 54 54 A A T 3<5S- 0 0 6 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.425 111.6-122.0 -89.6 -0.0 6.7 -45.6 -22.3 55 55 A A T < 5S+ 0 0 12 -3,-1.2 -3,-0.2 -4,-0.3 226,-0.1 0.878 71.2 133.9 55.5 44.8 8.0 -43.5 -25.3 56 56 A L < - 0 0 31 -5,-3.0 2,-0.5 1,-0.3 -4,-0.2 0.164 66.6-115.3-107.6 15.0 5.1 -41.1 -24.8 57 57 A G - 0 0 7 -6,-0.4 -1,-0.3 -5,-0.1 2,-0.3 -0.752 49.6 -58.2 93.1-126.3 7.2 -37.8 -25.1 58 58 A D > - 0 0 17 -2,-0.5 4,-1.7 -3,-0.1 3,-0.5 -0.904 48.1 -85.0-152.9 178.5 7.4 -35.6 -22.1 59 59 A I H > S+ 0 0 25 -2,-0.3 4,-3.1 1,-0.2 -1,-0.1 0.853 121.7 56.3 -62.9 -37.1 5.6 -33.5 -19.5 60 60 A G H 4 S+ 0 0 41 225,-0.3 -1,-0.2 1,-0.2 5,-0.1 0.862 106.9 49.9 -59.8 -39.7 5.4 -30.5 -21.8 61 61 A R H 4 S+ 0 0 151 -3,-0.5 3,-0.3 1,-0.2 -1,-0.2 0.893 120.5 35.1 -66.0 -39.7 3.7 -32.5 -24.5 62 62 A H H < S+ 0 0 32 -4,-1.7 2,-0.3 1,-0.2 -2,-0.2 0.834 131.9 23.7 -85.9 -34.9 1.1 -33.9 -22.1 63 63 A F S < S- 0 0 17 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.1 -0.772 83.5-143.5-138.9 85.1 0.6 -30.9 -19.8 64 64 A S > - 0 0 45 -2,-0.3 3,-1.1 -3,-0.3 6,-0.3 -0.234 8.1-147.9 -61.8 129.6 1.5 -27.5 -21.4 65 65 A D T 3 S+ 0 0 69 1,-0.2 -1,-0.1 -5,-0.1 -5,-0.0 0.519 103.1 54.4 -70.6 -7.3 3.2 -24.8 -19.3 66 66 A T T 3 S+ 0 0 126 5,-0.0 -1,-0.2 -30,-0.0 -2,-0.1 0.517 85.5 99.0 -99.8 -10.6 1.4 -22.2 -21.5 67 67 A D X - 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0 0 11 -5,-2.2 2,-0.4 -6,-0.1 -1,-0.3 -0.765 41.4-156.2-105.2 143.6 2.8 -50.5 -19.4 92 92 A A E -B 157 0A 53 65,-2.6 65,-2.1 -2,-0.3 2,-0.4 -0.924 26.3-121.5-108.1 142.0 3.1 -51.5 -15.7 93 93 A I E +B 156 0A 25 -2,-0.4 63,-0.3 63,-0.2 3,-0.1 -0.695 28.0 178.6 -86.7 130.6 5.5 -49.6 -13.5 94 94 A R E - 0 0 67 61,-2.9 2,-0.3 -2,-0.4 62,-0.2 0.824 61.0 -21.3 -97.3 -43.2 8.1 -51.8 -11.8 95 95 A N E -B 155 0A 3 60,-1.5 60,-2.1 2,-0.0 2,-0.4 -0.988 46.1-149.6-161.7 161.4 10.2 -49.2 -9.8 96 96 A V E -Bc 154 129A 1 32,-2.4 34,-1.7 -2,-0.3 2,-0.3 -0.996 12.4-179.0-131.2 139.0 11.2 -45.6 -9.5 97 97 A D E +B 153 0A 0 56,-2.5 56,-2.7 -2,-0.4 2,-0.3 -0.949 12.7 167.9-129.9 154.9 14.4 -44.1 -8.1 98 98 A S E -B 152 0A 0 -2,-0.3 34,-1.7 32,-0.3 2,-0.3 -0.988 23.8-145.9-161.7 162.1 15.2 -40.4 -7.8 99 99 A T E -Bd 151 132A 0 52,-2.3 52,-2.4 -2,-0.3 2,-0.4 -0.996 6.5-159.5-135.9 138.2 17.6 -37.8 -6.4 100 100 A I E -Bd 150 133A 0 32,-2.7 34,-2.5 -2,-0.3 2,-0.5 -0.976 9.6-159.9-113.2 137.1 16.9 -34.3 -5.1 101 101 A I E +Bd 149 134A 0 48,-3.0 48,-2.0 -2,-0.4 2,-0.3 -0.962 26.1 146.4-122.0 117.1 19.8 -31.8 -4.9 102 102 A A - 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