==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SYNTHASE 24-FEB-03 1H48 . COMPND 2 MOLECULE: 2C-METHYL-D-ERYTHRITOL-2,4-CYCLODIPHOSPHATE . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR L.E.KEMP,M.S.ALPHEY,C.S.BOND,W.N.HUNTER . 946 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34388.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 630 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 177 18.7 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 . 6 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 . 38 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 221 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 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 10 0 0 0 0 0 0 4 2 7 5 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 6 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 . 4 2 6 0 0 0 0 0 6 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 8 0 6 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 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 E 0 0 120 0, 0.0 156,-3.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 131.8 55.5 1.0 72.3 2 1 A M E -A 156 0A 31 154,-0.2 2,-0.4 155,-0.1 154,-0.2 -0.977 360.0-172.6-118.3 135.0 56.7 -2.3 70.9 3 2 A R E -A 155 0A 0 152,-2.7 152,-3.7 -2,-0.4 2,-0.3 -0.981 8.1-154.5-133.0 134.6 56.2 -3.2 67.3 4 3 A I E -A 154 0A 0 -2,-0.4 2,-0.3 150,-0.2 150,-0.2 -0.748 10.6-176.9-107.6 153.5 56.7 -6.4 65.2 5 4 A G E -A 153 0A 0 148,-1.8 148,-1.9 -2,-0.3 2,-0.3 -0.958 10.3-155.8-144.2 159.5 57.4 -7.0 61.5 6 5 A H E -A 152 0A 0 -2,-0.3 2,-0.3 41,-0.3 146,-0.2 -0.998 10.6-175.1-141.9 133.7 57.8 -9.9 59.2 7 6 A G E -A 151 0A 0 144,-2.5 144,-1.8 -2,-0.3 2,-0.3 -0.924 2.6-175.2-131.8 157.7 59.6 -10.0 55.8 8 7 A F E +A 150 0A 24 -2,-0.3 2,-0.3 142,-0.2 142,-0.2 -0.972 6.6 173.0-155.6 132.6 60.0 -12.7 53.2 9 8 A D E -A 149 0A 7 140,-2.8 140,-2.2 -2,-0.3 2,-0.3 -0.980 11.1-167.1-146.6 158.0 62.0 -12.8 50.0 10 9 A V E -A 148 0A 0 283,-0.4 2,-0.4 -2,-0.3 138,-0.2 -0.995 3.3-175.9-143.4 133.2 63.0 -15.2 47.2 11 10 A H E -A 147 0A 13 136,-2.0 136,-2.2 -2,-0.3 2,-0.2 -0.992 22.6-128.5-127.9 146.5 65.6 -15.1 44.4 12 11 A A E -A 146 0A 16 21,-0.5 21,-2.5 -2,-0.4 134,-0.3 -0.606 27.0-113.1 -84.4 145.5 66.2 -17.6 41.6 13 12 A F B +D 32 0B 24 132,-2.5 19,-0.3 19,-0.2 2,-0.3 -0.532 52.9 139.1 -70.8 146.5 69.7 -18.9 40.9 14 13 A G + 0 0 20 17,-2.8 17,-0.3 -2,-0.2 2,-0.0 -0.877 40.8 14.5 178.2 156.5 71.3 -17.9 37.6 15 14 A G S S- 0 0 65 -2,-0.3 16,-0.7 15,-0.1 2,-0.3 -0.366 99.8 -32.3 68.4-151.0 74.5 -16.8 36.0 16 15 A E S S- 0 0 173 14,-0.3 14,-0.2 1,-0.1 16,-0.2 -0.759 72.4 -89.0-111.6 147.7 77.7 -17.3 37.8 17 16 A G + 0 0 20 11,-0.5 14,-0.2 12,-0.5 2,-0.1 -0.049 69.6 95.0 -63.1 175.1 78.6 -17.2 41.5 18 17 A P - 0 0 38 0, 0.0 14,-0.4 0, 0.0 2,-0.3 0.561 54.2-152.9 -82.3 172.8 79.4 -15.9 43.9 19 18 A I E -E 26 0C 1 7,-2.3 7,-3.3 12,-0.2 2,-0.5 -0.762 9.0-136.3-101.7 154.2 76.2 -15.0 45.8 20 19 A I E +E 25 0C 40 17,-0.4 2,-0.4 -2,-0.3 20,-0.3 -0.969 29.9 168.8-111.3 118.2 75.8 -12.2 48.2 21 20 A I E > S-E 24 0C 1 3,-2.4 3,-1.8 -2,-0.5 18,-0.1 -0.991 70.3 -7.0-134.1 127.0 73.9 -13.1 51.4 22 21 A G T 3 S- 0 0 0 -2,-0.4 94,-0.2 1,-0.3 95,-0.2 0.802 131.0 -57.5 60.8 28.7 73.7 -10.9 54.5 23 22 A G T 3 S+ 0 0 17 1,-0.2 2,-0.4 93,-0.1 -1,-0.3 0.369 113.6 121.3 83.9 -4.9 76.2 -8.6 52.8 24 23 A V E < -E 21 0C 14 -3,-1.8 -3,-2.4 85,-0.0 2,-0.7 -0.804 63.8-131.7-104.1 130.1 78.8 -11.5 52.5 25 24 A R E -E 20 0C 181 -2,-0.4 -5,-0.2 -5,-0.2 -8,-0.0 -0.696 30.8-173.1 -75.0 113.7 80.2 -12.9 49.2 26 25 A I E -E 19 0C 2 -7,-3.3 -7,-2.3 -2,-0.7 2,-0.1 -0.962 24.9-117.5-113.5 127.2 79.8 -16.7 49.4 27 26 A P + 0 0 100 0, 0.0 2,-0.3 0, 0.0 4,-0.0 -0.417 47.0 154.0 -67.1 135.7 81.4 -18.9 46.7 28 27 A Y - 0 0 45 -2,-0.1 -11,-0.5 76,-0.1 -2,-0.0 -0.981 55.2-118.2-160.2 152.1 78.9 -20.9 44.7 29 28 A E S S+ 0 0 145 -2,-0.3 -12,-0.5 -13,-0.1 2,-0.3 0.756 101.6 41.3 -61.7 -26.5 78.6 -22.5 41.3 30 29 A K S S- 0 0 56 -14,-0.2 -14,-0.3 -3,-0.0 2,-0.1 -0.854 72.3-141.6-124.4 156.9 75.6 -20.2 40.6 31 30 A G - 0 0 4 -16,-0.7 -17,-2.8 -17,-0.3 2,-0.5 -0.428 29.9-101.5 -98.8-176.0 74.7 -16.6 41.2 32 31 A L B -D 13 0B 24 -14,-0.4 2,-0.4 -19,-0.3 -19,-0.2 -0.954 28.6-129.3-111.9 122.6 71.4 -15.0 42.1 33 32 A L + 0 0 100 -21,-2.5 -21,-0.5 -2,-0.5 2,-0.3 -0.539 49.2 139.6 -67.5 122.3 69.3 -13.3 39.4 34 33 A A - 0 0 41 -2,-0.4 37,-0.1 1,-0.1 -23,-0.0 -0.983 64.0-129.1-164.0 150.6 68.2 -9.8 40.5 35 34 A H S S+ 0 0 43 -2,-0.3 36,-3.5 35,-0.1 37,-0.2 0.924 108.4 31.2 -59.1 -49.0 67.6 -6.2 39.7 36 35 A S S S- 0 0 17 34,-0.3 37,-0.1 35,-0.2 -2,-0.1 0.014 125.2 -65.2 -86.2-158.8 69.9 -5.3 42.8 37 36 A D S S- 0 0 40 35,-2.0 -17,-0.4 2,-0.1 -5,-0.2 0.490 70.7-116.5 -70.3 -7.0 72.8 -7.4 44.1 38 37 A G + 0 0 1 1,-0.2 2,-1.6 34,-0.2 3,-0.1 0.622 52.4 164.7 86.6 13.8 70.3 -10.2 45.0 39 38 A D > + 0 0 0 1,-0.2 4,-2.3 -18,-0.1 -1,-0.2 -0.472 9.9 179.1 -72.7 91.0 70.8 -10.2 48.7 40 39 A V H > S+ 0 0 0 -2,-1.6 4,-2.1 -20,-0.3 -1,-0.2 0.826 77.8 54.1 -61.2 -38.4 67.6 -12.2 49.7 41 40 A A H > S+ 0 0 3 -21,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.934 110.9 43.4 -65.1 -47.1 68.5 -12.1 53.4 42 41 A L H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.863 112.2 53.7 -70.7 -34.7 68.9 -8.3 53.6 43 42 A H H X S+ 0 0 12 -4,-2.3 4,-2.5 2,-0.2 15,-0.2 0.934 110.9 46.4 -59.3 -46.9 65.7 -7.7 51.5 44 43 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 107,-0.3 0.889 113.3 49.1 -66.3 -37.8 63.7 -9.9 53.8 45 44 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.919 110.1 50.6 -65.2 -45.8 65.2 -8.1 56.9 46 45 A T H X S+ 0 0 1 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.918 110.1 50.7 -59.3 -46.5 64.4 -4.7 55.4 47 46 A D H X S+ 0 0 2 -4,-2.5 4,-2.4 1,-0.2 -41,-0.3 0.902 109.7 50.4 -55.9 -44.0 60.8 -5.7 54.7 48 47 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 105,-0.3 0.870 113.3 45.4 -63.1 -39.6 60.5 -6.9 58.4 49 48 A L H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.928 115.4 45.8 -69.0 -46.5 61.9 -3.6 59.7 50 49 A L H <>S+ 0 0 0 -4,-2.9 5,-3.2 1,-0.2 6,-0.5 0.853 111.9 54.5 -62.5 -38.1 59.7 -1.5 57.3 51 50 A G H ><5S+ 0 0 0 -4,-2.4 3,-1.7 -5,-0.2 -2,-0.2 0.923 105.5 50.4 -62.8 -48.7 56.7 -3.7 58.3 52 51 A A H 3<5S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.809 113.8 46.0 -59.3 -31.7 57.1 -3.1 62.0 53 52 A A T 3<5S- 0 0 0 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.305 111.4-122.8 -92.4 8.1 57.3 0.6 61.4 54 53 A A T < 5S+ 0 0 7 -3,-1.7 -3,-0.2 1,-0.1 -2,-0.1 0.890 72.9 130.7 48.3 43.5 54.2 0.5 59.0 55 54 A L < - 0 0 43 -5,-3.2 2,-0.7 1,-0.2 -4,-0.2 0.283 67.5-120.9-104.0 9.6 56.3 2.0 56.2 56 55 A G - 0 0 10 -6,-0.5 2,-0.3 -5,-0.1 -1,-0.2 -0.818 45.0 -58.2 100.0-114.2 55.3 -0.6 53.7 57 56 A D >> - 0 0 5 -2,-0.7 4,-1.8 -7,-0.1 3,-0.8 -0.965 50.1 -85.6-165.9 168.3 58.0 -2.7 52.0 58 57 A I H 3> S+ 0 0 31 -2,-0.3 4,-3.4 1,-0.3 -1,-0.1 0.855 123.7 57.7 -53.1 -40.4 61.2 -2.5 49.8 59 58 A G H 34 S+ 0 0 31 232,-0.2 -1,-0.3 2,-0.2 5,-0.1 0.834 107.9 46.5 -61.9 -36.5 59.1 -2.4 46.7 60 59 A K H <4 S+ 0 0 121 -3,-0.8 -2,-0.2 1,-0.1 -1,-0.2 0.997 120.9 36.3 -62.3 -67.2 57.3 0.7 47.9 61 60 A L H < S+ 0 0 28 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.2 0.740 133.3 23.1 -59.2 -34.8 60.4 2.6 49.0 62 61 A F S < S- 0 0 17 -4,-3.4 -1,-0.2 -5,-0.3 -2,-0.1 -0.699 85.2-145.1-139.6 85.5 62.7 1.4 46.2 63 62 A P > - 0 0 45 0, 0.0 3,-1.3 0, 0.0 6,-0.2 -0.132 16.0-133.7 -63.4 140.7 60.9 0.2 43.0 64 63 A D T 3 S+ 0 0 110 1,-0.2 -5,-0.0 -5,-0.1 0, 0.0 0.503 108.1 59.5 -61.6 -5.8 62.1 -2.6 40.8 65 64 A T T 3 S+ 0 0 128 5,-0.0 -1,-0.2 2,-0.0 5,-0.0 0.606 80.8 95.1-101.6 -17.5 61.4 -0.2 37.9 66 65 A D X - 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0 0 12 -5,-1.4 2,-0.3 67,-0.1 -1,-0.3 -0.617 27.0-170.1 -94.5 151.6 62.0 4.0 66.3 91 90 A T E -B 156 0A 78 65,-1.8 65,-2.8 -2,-0.3 2,-0.3 -0.886 33.1 -94.3-132.5 153.8 64.9 2.2 68.0 92 91 A L E +B 155 0A 21 -2,-0.3 63,-0.2 63,-0.2 3,-0.1 -0.594 34.7 171.1 -80.6 131.9 65.9 -1.4 67.5 93 92 A G E - 0 0 7 61,-2.4 2,-0.3 1,-0.3 62,-0.2 0.792 63.4 -53.0 -88.2 -77.5 64.8 -4.2 69.8 94 93 A N E -B 154 0A 0 60,-1.2 60,-2.6 2,-0.0 2,-0.3 -0.982 42.5-145.6-159.0 160.9 66.1 -7.3 67.9 95 94 A V E -Bc 153 128A 0 32,-2.4 34,-1.9 -2,-0.3 2,-0.4 -0.960 6.8-169.0-132.0 155.9 66.1 -9.0 64.6 96 95 A D E -Bc 152 129A 0 56,-2.0 56,-2.5 -2,-0.3 2,-0.3 -0.978 8.4-166.1-147.8 125.9 66.1 -12.7 63.6 97 96 A V E -Bc 151 130A 1 32,-1.7 34,-1.7 -2,-0.4 2,-0.5 -0.903 7.3-161.2-122.4 142.6 66.7 -13.9 60.1 98 97 A T E -Bc 150 131A 0 52,-3.0 52,-2.3 -2,-0.3 2,-0.5 -0.955 6.3-160.1-129.1 109.6 66.1 -17.4 58.6 99 98 A I E -Bc 149 132A 0 32,-3.3 34,-2.2 -2,-0.5 2,-0.6 -0.774 6.3-158.8 -89.1 129.0 67.9 -18.3 55.4 100 99 A I E +Bc 148 133A 7 48,-3.5 48,-2.5 -2,-0.5 2,-0.3 -0.930 34.1 133.8-114.3 111.0 66.2 -21.2 53.6 101 100 A A - 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