==== 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 04-MAR-09 3GHZ . COMPND 2 MOLECULE: 2-C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE SYNT . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR J.OSIPIUK,M.GU,S.PETERSON,W.F.ANDERSON,A.JOACHIMIAK,CENTER F . 465 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16863.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 313 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 93 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 0.6 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 . 17 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 24.5 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 3 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 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 . 4 0 1 2 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 0 A A 0 0 111 0, 0.0 156,-2.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 111.4 27.2 32.7 5.5 2 1 A M E -A 156 0A 36 154,-0.2 2,-0.3 155,-0.1 154,-0.2 -0.764 360.0-163.5-108.4 153.3 30.8 31.4 5.3 3 2 A R E -A 155 0A 17 152,-2.3 152,-2.4 -2,-0.3 2,-0.3 -0.996 7.2-146.5-139.6 142.8 33.9 32.9 3.6 4 3 A I E -A 154 0A 0 -2,-0.3 2,-0.3 150,-0.2 150,-0.2 -0.795 15.0-178.3-108.5 150.8 37.2 31.4 2.7 5 4 A G E -A 153 0A 0 148,-1.7 148,-2.1 -2,-0.3 2,-0.3 -0.970 10.2-159.1-148.9 153.1 40.7 33.0 2.6 6 5 A H E -A 152 0A 0 -2,-0.3 2,-0.3 41,-0.3 146,-0.2 -0.986 9.6-172.5-133.2 138.0 44.3 31.9 1.7 7 6 A G E -A 151 0A 0 144,-2.5 144,-1.8 -2,-0.3 2,-0.3 -0.962 5.0-177.3-134.5 154.0 47.6 33.5 2.7 8 7 A F E +A 150 0A 21 -2,-0.3 2,-0.3 142,-0.2 142,-0.2 -0.974 7.9 167.9-148.0 137.6 51.2 33.0 1.8 9 8 A D E -A 149 0A 10 140,-2.3 140,-2.3 -2,-0.3 2,-0.3 -0.967 11.0-166.7-150.0 159.6 54.5 34.6 3.0 10 9 A V E -A 148 0A 0 435,-0.5 2,-0.3 -2,-0.3 138,-0.2 -0.990 2.2-174.2-145.1 138.8 58.3 34.1 2.9 11 10 A H E -A 147 0A 6 136,-2.0 136,-2.2 -2,-0.3 2,-0.3 -0.985 21.8-131.1-132.1 146.8 61.3 35.5 4.7 12 11 A A E -AB 146 33A 17 21,-0.5 21,-3.2 -2,-0.3 134,-0.3 -0.654 27.9-112.2 -87.3 148.0 64.9 34.9 3.9 13 12 A F E + B 0 32A 23 132,-2.6 19,-0.3 -2,-0.3 2,-0.2 -0.556 53.5 133.5 -74.9 149.6 67.4 33.9 6.6 14 13 A G E + B 0 31A 19 17,-2.1 17,-0.7 -2,-0.2 16,-0.0 -0.873 43.9 27.7 177.7 161.8 70.1 36.4 7.7 15 14 A G S S- 0 0 62 -2,-0.2 16,-1.0 15,-0.2 2,-0.3 -0.155 97.2 -41.7 69.9-169.7 71.5 37.6 11.0 16 15 A E S S- 0 0 179 14,-0.3 14,-0.3 1,-0.1 16,-0.2 -0.679 72.7 -88.5 -95.5 143.4 71.6 35.8 14.2 17 16 A G S S+ 0 0 26 11,-0.6 14,-0.2 -2,-0.3 2,-0.2 -0.047 71.2 98.6 -56.0 174.1 68.8 33.7 15.6 18 17 A P - 0 0 75 0, 0.0 14,-0.3 0, 0.0 2,-0.3 0.544 53.1-154.1 -81.7 172.4 66.4 33.2 17.2 19 18 A I E -E 26 0B 2 7,-2.4 7,-2.7 12,-0.2 2,-0.5 -0.687 9.3-135.3-100.0 159.9 63.6 33.2 14.7 20 19 A I E +E 25 0B 23 17,-0.3 2,-0.4 -2,-0.3 20,-0.3 -0.984 31.2 164.9-120.9 114.5 60.0 34.1 15.5 21 20 A I E > S-E 24 0B 1 3,-2.0 3,-1.9 -2,-0.5 18,-0.1 -0.988 71.3 -6.4-135.0 126.4 57.4 31.9 14.1 22 21 A G T 3 S- 0 0 0 -2,-0.4 94,-0.2 1,-0.3 95,-0.2 0.790 130.0 -60.1 61.9 28.3 53.8 31.7 15.2 23 22 A G T 3 S+ 0 0 1 1,-0.2 2,-0.4 93,-0.1 -1,-0.3 0.250 111.6 120.8 83.5 -10.2 54.8 34.1 18.0 24 23 A V E < -E 21 0B 14 -3,-1.9 -3,-2.0 85,-0.0 2,-0.8 -0.732 63.2-131.2 -95.2 133.8 57.4 31.7 19.4 25 24 A R E -E 20 0B 137 -2,-0.4 -5,-0.2 -5,-0.2 -8,-0.0 -0.702 30.1-171.1 -81.4 113.0 61.1 32.4 19.7 26 25 A I E -E 19 0B 2 -7,-2.7 -7,-2.4 -2,-0.8 2,-0.1 -0.922 22.9-119.9-111.5 126.7 62.8 29.3 18.3 27 26 A P + 0 0 99 0, 0.0 2,-0.3 0, 0.0 4,-0.0 -0.364 46.6 151.1 -66.3 140.9 66.6 28.9 18.6 28 27 A Y - 0 0 44 -2,-0.1 -11,-0.6 76,-0.1 -2,-0.0 -0.950 57.7-111.2-165.0 157.4 68.4 28.7 15.4 29 28 A E S S+ 0 0 152 -2,-0.3 2,-0.3 -13,-0.1 -12,-0.2 0.646 102.8 36.7 -67.7 -15.1 71.8 29.6 14.0 30 29 A K S S- 0 0 99 -14,-0.3 -14,-0.3 -16,-0.0 -15,-0.2 -0.935 70.9-139.9-137.1 159.0 70.3 32.4 11.9 31 30 A G E -B 14 0A 4 -16,-1.0 -17,-2.1 -17,-0.7 2,-0.4 -0.346 32.9 -99.2 -99.9-175.8 67.5 35.0 12.2 32 31 A L E -B 13 0A 26 -14,-0.3 2,-0.5 -19,-0.3 -19,-0.3 -0.902 27.6-128.0-107.9 135.0 65.0 36.0 9.5 33 32 A L E +B 12 0A 101 -21,-3.2 -21,-0.5 -2,-0.4 2,-0.3 -0.773 53.2 134.5 -77.6 124.8 65.6 39.2 7.5 34 33 A A - 0 0 34 -2,-0.5 37,-0.2 2,-0.1 -23,-0.1 -0.973 63.3-126.0-166.2 157.7 62.4 41.3 7.7 35 34 A H S S+ 0 0 34 -2,-0.3 36,-3.4 35,-0.1 37,-0.3 0.906 106.7 36.8 -72.8 -48.7 61.1 44.8 8.3 36 35 A S S S- 0 0 14 34,-0.3 35,-0.2 35,-0.2 37,-0.2 -0.017 126.0 -69.7 -79.5-164.4 58.9 43.5 11.0 37 36 A D - 0 0 32 35,-2.4 -17,-0.3 33,-0.1 -5,-0.2 0.522 69.9-117.3 -66.4 -8.5 60.0 40.7 13.4 38 37 A G + 0 0 0 1,-0.2 2,-1.5 34,-0.2 3,-0.1 0.575 51.3 165.5 85.1 16.7 59.7 38.4 10.4 39 38 A D > - 0 0 0 1,-0.2 4,-2.4 -18,-0.1 -1,-0.2 -0.435 9.8-179.8 -75.4 89.1 57.0 36.0 11.6 40 39 A V H > S+ 0 0 0 -2,-1.5 4,-2.2 -20,-0.3 -1,-0.2 0.812 77.7 54.5 -60.4 -34.5 56.1 34.2 8.3 41 40 A A H > S+ 0 0 3 -21,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.951 110.1 43.8 -70.7 -47.3 53.4 32.1 9.9 42 41 A L H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.885 113.0 54.2 -66.5 -34.2 51.5 35.0 11.5 43 42 A H H X S+ 0 0 12 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.938 109.6 45.8 -61.3 -51.8 51.8 37.0 8.2 44 43 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 107,-0.2 0.933 114.1 49.6 -59.5 -42.6 50.3 34.2 6.1 45 44 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.901 108.9 51.6 -62.1 -43.4 47.5 33.7 8.7 46 45 A T H X S+ 0 0 1 -4,-2.8 4,-3.1 1,-0.2 5,-0.2 0.929 110.3 49.8 -61.5 -43.5 46.8 37.5 8.7 47 46 A D H X S+ 0 0 2 -4,-2.4 4,-2.1 1,-0.2 -41,-0.3 0.880 109.0 51.3 -62.8 -38.4 46.5 37.4 4.9 48 47 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 105,-0.2 0.887 113.2 46.2 -63.0 -40.4 44.1 34.4 5.0 49 48 A L H X S+ 0 0 0 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.915 115.1 44.9 -70.6 -46.3 41.9 36.2 7.5 50 49 A L H <>S+ 0 0 0 -4,-3.1 5,-2.8 1,-0.2 6,-0.3 0.817 112.2 53.7 -64.2 -34.3 41.9 39.4 5.6 51 50 A G H ><5S+ 0 0 0 -4,-2.1 3,-1.2 -5,-0.2 -2,-0.2 0.906 106.7 50.2 -68.6 -41.9 41.3 37.6 2.3 52 51 A A H 3<5S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.849 114.6 45.9 -62.4 -31.2 38.3 35.8 3.7 53 52 A A T 3<5S- 0 0 0 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.442 109.6-125.6 -91.0 -3.6 37.0 39.2 4.8 54 53 A A T < 5 + 0 0 8 -3,-1.2 -3,-0.2 -4,-0.2 -2,-0.1 0.904 68.9 133.1 52.1 48.5 37.8 40.9 1.5 55 54 A L < - 0 0 54 -5,-2.8 2,-0.5 1,-0.3 -4,-0.2 0.012 66.7-117.2-111.2 28.5 39.9 43.5 3.3 56 55 A G - 0 0 12 -6,-0.3 -1,-0.3 -5,-0.1 2,-0.3 -0.654 46.6 -65.8 81.7-122.4 42.9 43.3 1.0 57 56 A D >> - 0 0 1 -2,-0.5 4,-2.6 -3,-0.1 3,-0.5 -0.958 36.8 -93.8-161.6 171.0 46.2 42.2 2.4 58 57 A I H 3> S+ 0 0 25 -2,-0.3 4,-2.7 1,-0.2 386,-0.1 0.733 117.1 63.6 -72.5 -21.1 49.1 42.9 4.8 59 58 A G H 34 S+ 0 0 29 384,-0.3 -1,-0.2 2,-0.2 385,-0.1 0.834 112.0 38.8 -65.0 -31.5 51.1 44.5 2.1 60 59 A K H <4 S+ 0 0 129 -3,-0.5 -2,-0.2 2,-0.1 -1,-0.2 0.912 123.2 38.9 -84.6 -46.2 48.3 47.1 1.9 61 60 A L H < S+ 0 0 37 -4,-2.6 -3,-0.2 1,-0.2 -2,-0.2 0.896 132.5 21.9 -72.3 -39.5 47.7 47.4 5.7 62 61 A F S < S- 0 0 21 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.1 -0.447 80.3-171.9-130.3 64.4 51.3 47.1 6.9 63 62 A P > - 0 0 39 0, 0.0 3,-1.8 0, 0.0 6,-0.3 -0.200 25.9-135.4 -68.8 139.2 53.7 48.2 4.1 64 63 A D T 3 S+ 0 0 84 1,-0.3 5,-0.1 4,-0.1 -5,-0.0 0.737 102.0 68.4 -63.1 -19.8 57.4 47.7 4.6 65 64 A T T 3 S+ 0 0 133 2,-0.0 -1,-0.3 1,-0.0 3,-0.0 0.608 81.6 88.3 -77.9 -10.0 58.1 51.1 3.2 66 65 A D X - 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0 0 8 -5,-1.4 2,-0.3 67,-0.2 -1,-0.3 -0.634 31.1-172.8 -98.7 145.8 32.9 38.2 11.2 91 90 A T E -C 156 0A 72 65,-3.2 65,-3.4 -2,-0.3 2,-0.2 -0.933 37.4 -93.9-122.6 156.5 33.5 35.5 13.7 92 91 A L E +C 155 0A 19 -2,-0.3 63,-0.2 63,-0.2 3,-0.1 -0.389 33.5 174.3 -69.7 133.6 36.0 32.7 13.3 93 92 A G E - 0 0 10 61,-2.8 2,-0.3 1,-0.3 62,-0.2 0.757 66.0 -56.6 -92.1 -71.3 35.2 29.3 11.9 94 93 A N E -C 154 0A 0 60,-1.4 60,-2.9 2,-0.0 2,-0.3 -0.981 41.9-142.1-164.1 161.5 38.7 27.9 11.9 95 94 A V E -Cd 153 128A 0 32,-2.3 34,-1.6 -2,-0.3 2,-0.4 -0.963 6.7-167.0-129.4 150.6 42.3 28.4 10.6 96 95 A D E -Cd 152 129A 0 56,-2.3 56,-2.7 -2,-0.3 2,-0.4 -0.997 9.8-165.8-136.0 129.3 44.9 25.9 9.4 97 96 A V E -Cd 151 130A 2 32,-1.9 34,-1.8 -2,-0.4 2,-0.5 -0.952 6.1-161.8-122.0 140.0 48.5 27.0 8.9 98 97 A T E -Cd 150 131A 1 52,-2.9 52,-2.6 -2,-0.4 2,-0.4 -0.940 6.6-158.7-126.7 107.0 51.2 25.1 7.1 99 98 A I E -Cd 149 132A 0 32,-3.1 34,-2.8 -2,-0.5 2,-0.6 -0.732 4.4-158.2 -84.2 130.9 54.8 26.1 7.8 100 99 A I E +Cd 148 133A 8 48,-3.2 48,-2.5 -2,-0.4 2,-0.3 -0.915 35.1 131.9-115.2 105.8 57.2 25.1 5.0 101 100 A A - 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