==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 10-AUG-05 2AMT . COMPND 2 MOLECULE: 2-C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR N.L.RAMSDEN,W.N.HUNTER . 936 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33074.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 612 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 171 18.3 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 . 57 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 222 23.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 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 11 0 0 0 0 0 0 3 3 8 4 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 . 3 3 6 0 0 0 0 0 6 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 7 0 4 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 1 A M 0 0 66 0, 0.0 2,-0.3 0, 0.0 154,-0.2 0.000 360.0 360.0 360.0 158.5 -10.7 -17.4 16.2 2 2 A R E -A 154 0A 26 152,-2.2 152,-3.1 247,-0.1 2,-0.3 -0.997 360.0-144.6-141.5 139.4 -8.9 -14.0 16.5 3 3 A I E -A 153 0A 0 -2,-0.3 2,-0.3 150,-0.2 150,-0.2 -0.789 13.9-178.2-108.1 147.8 -9.9 -10.4 16.7 4 4 A G E -A 152 0A 0 148,-1.8 148,-1.9 -2,-0.3 2,-0.4 -0.970 12.5-149.0-137.4 155.8 -8.4 -7.2 15.3 5 5 A H E -A 151 0A 0 -2,-0.3 2,-0.4 41,-0.3 146,-0.2 -0.990 9.5-167.8-130.2 129.0 -9.2 -3.5 15.5 6 6 A G E +A 150 0A 0 144,-3.2 144,-1.8 -2,-0.4 2,-0.3 -0.930 7.1 176.4-116.8 140.1 -8.5 -0.8 12.9 7 7 A F E +A 149 0A 20 -2,-0.4 2,-0.3 142,-0.2 142,-0.2 -0.962 7.8 170.1-142.6 124.6 -8.8 2.9 13.3 8 8 A D E -A 148 0A 12 140,-1.9 140,-2.0 -2,-0.3 2,-0.3 -0.967 12.3-168.2-134.9 150.5 -7.8 5.4 10.6 9 9 A V E +A 147 0A 0 -2,-0.3 2,-0.3 281,-0.3 138,-0.2 -0.992 4.6 179.5-134.0 141.0 -8.2 9.2 10.1 10 10 A H E -A 146 0A 0 136,-1.5 136,-2.1 -2,-0.3 2,-0.1 -0.981 23.1-130.8-139.5 135.4 -7.7 11.3 7.0 11 11 A A E -A 145 0A 15 -2,-0.3 21,-1.8 134,-0.2 2,-0.3 -0.434 28.0-104.9 -78.9 154.0 -8.2 15.1 6.8 12 12 A F B +D 31 0B 9 132,-2.9 2,-0.3 19,-0.2 19,-0.2 -0.624 54.8 147.7 -76.6 137.9 -10.2 16.8 4.0 13 13 A G + 0 0 17 17,-1.3 17,-0.2 -2,-0.3 2,-0.1 -0.880 39.1 4.4-173.5 139.0 -8.0 18.5 1.4 14 14 A G S S- 0 0 45 -2,-0.3 16,-0.9 15,-0.1 2,-0.1 -0.296 80.0 -74.1 80.6-167.7 -8.0 19.4 -2.3 15 15 A E S S+ 0 0 160 14,-0.3 16,-0.2 -2,-0.1 -2,-0.1 -0.160 77.6 69.6-108.6-157.0 -10.8 18.8 -4.8 16 16 A G S S- 0 0 40 12,-0.1 11,-0.3 14,-0.1 2,-0.2 -0.038 87.5 -48.3 73.5-178.4 -12.2 15.7 -6.6 17 17 A P - 0 0 41 0, 0.0 14,-0.3 0, 0.0 2,-0.2 -0.591 53.1-118.7 -88.4 153.2 -14.2 12.8 -5.1 18 18 A I E -E 25 0C 1 7,-2.2 7,-3.5 -2,-0.2 2,-0.6 -0.579 19.2-133.6 -83.7 151.8 -13.2 10.9 -2.0 19 19 A I E +E 24 0C 34 17,-0.5 2,-0.5 5,-0.2 5,-0.2 -0.935 30.6 169.5-110.7 111.3 -12.5 7.1 -2.2 20 20 A I E > S-E 23 0C 0 3,-2.7 3,-1.5 -2,-0.6 18,-0.1 -0.982 72.5 -10.7-124.9 119.7 -14.3 5.2 0.6 21 21 A G T 3 S- 0 0 0 -2,-0.5 95,-0.2 1,-0.3 94,-0.2 0.773 129.1 -56.9 64.2 28.3 -14.3 1.3 0.5 22 22 A G T 3 S+ 0 0 17 1,-0.3 2,-0.5 93,-0.1 -1,-0.3 0.291 115.0 120.1 85.5 -8.5 -13.0 1.5 -3.1 23 23 A V E < -E 20 0C 14 -3,-1.5 -3,-2.7 85,-0.0 2,-0.7 -0.792 62.2-137.5 -96.5 125.4 -16.0 3.6 -4.1 24 24 A R E -E 19 0C 158 -2,-0.5 -5,-0.2 -5,-0.2 -6,-0.0 -0.729 25.5-167.8 -81.3 112.7 -15.4 7.1 -5.5 25 25 A I E -E 18 0C 2 -7,-3.5 -7,-2.2 -2,-0.7 2,-0.1 -0.924 23.1-117.5-111.4 121.3 -18.0 9.4 -3.8 26 26 A P + 0 0 99 0, 0.0 2,-0.3 0, 0.0 4,-0.0 -0.348 48.9 154.0 -58.4 123.5 -18.6 13.0 -5.1 27 27 A Y - 0 0 41 -11,-0.3 -11,-0.0 -2,-0.1 -2,-0.0 -0.975 55.3-114.5-149.8 158.4 -17.7 15.6 -2.4 28 28 A E S S+ 0 0 116 -2,-0.3 2,-0.3 -13,-0.1 -12,-0.1 0.785 103.0 34.3 -65.2 -30.4 -16.6 19.2 -2.2 29 29 A K S S- 0 0 16 -14,-0.1 -14,-0.3 1,-0.1 -11,-0.2 -0.880 75.6-139.6-123.4 156.4 -13.2 18.2 -0.8 30 30 A G - 0 0 3 -16,-0.9 -17,-1.3 -2,-0.3 2,-0.4 -0.133 29.1 -95.3 -92.1-166.0 -10.9 15.2 -1.3 31 31 A L B -D 12 0B 20 -14,-0.3 -19,-0.2 5,-0.3 7,-0.1 -0.993 35.9-157.0-125.4 139.5 -8.9 13.1 1.1 32 32 A L + 0 0 98 -21,-1.8 -1,-0.2 -2,-0.4 -20,-0.1 0.993 45.6 81.8 -84.9 -77.5 -5.3 13.9 1.7 33 33 A A S S- 0 0 23 -22,-0.1 4,-0.2 4,-0.1 2,-0.0 0.051 90.9 -53.9 -71.5 140.4 -2.5 11.8 2.9 34 34 A H S S+ 0 0 141 2,-0.1 35,-0.0 3,-0.1 0, 0.0 -0.167 109.9 31.2 50.5-114.6 -0.5 9.3 0.9 35 35 A S S S- 0 0 23 1,-0.1 37,-0.1 37,-0.0 36,-0.0 0.189 118.4 -57.9 -73.2-166.8 -2.6 6.8 -0.9 36 36 A D S S- 0 0 41 35,-0.2 -17,-0.5 1,-0.2 -5,-0.3 0.612 76.5-113.3 -51.8 -13.1 -6.1 7.4 -2.3 37 37 A G + 0 0 0 -4,-0.2 2,-1.5 1,-0.2 -1,-0.2 0.795 52.9 168.6 85.0 33.5 -7.0 8.3 1.3 38 38 A D > + 0 0 0 1,-0.2 4,-2.3 -18,-0.1 5,-0.2 -0.623 9.0 175.8 -83.7 87.9 -9.4 5.3 1.8 39 39 A V H > S+ 0 0 0 -2,-1.5 4,-2.1 -20,-0.2 5,-0.2 0.824 78.3 57.7 -58.7 -35.9 -10.0 5.5 5.6 40 40 A A H > S+ 0 0 3 -21,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.942 112.4 37.9 -60.1 -50.2 -12.5 2.6 5.4 41 41 A L H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.807 114.5 53.4 -77.3 -32.5 -10.0 0.2 3.8 42 42 A H H X S+ 0 0 1 -4,-2.3 4,-2.9 2,-0.2 15,-0.2 0.911 112.6 45.1 -65.7 -44.2 -6.9 1.3 5.9 43 43 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.902 115.0 48.3 -63.3 -43.0 -8.9 0.8 9.1 44 44 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.913 112.1 49.6 -61.6 -44.6 -10.1 -2.6 7.7 45 45 A T H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 5,-0.3 0.934 111.7 48.3 -57.7 -50.1 -6.5 -3.4 6.7 46 46 A D H X S+ 0 0 6 -4,-2.9 4,-2.2 1,-0.2 -41,-0.3 0.840 110.5 51.5 -60.7 -38.5 -5.3 -2.5 10.2 47 47 A A H X S+ 0 0 0 -4,-2.2 4,-1.5 -43,-0.2 105,-0.3 0.913 113.2 44.3 -64.6 -45.1 -8.1 -4.6 11.8 48 48 A L H X S+ 0 0 0 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.914 117.3 44.3 -67.2 -45.7 -7.2 -7.6 9.8 49 49 A L H <>S+ 0 0 0 -4,-2.8 5,-3.1 1,-0.2 6,-0.3 0.842 111.5 55.4 -66.0 -36.1 -3.4 -7.2 10.3 50 50 A G H ><5S+ 0 0 0 -4,-2.2 3,-0.6 -5,-0.3 -1,-0.2 0.807 106.0 51.2 -64.6 -33.1 -4.1 -6.5 14.0 51 51 A A H 3<5S+ 0 0 0 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.799 112.5 45.7 -72.1 -31.4 -6.0 -9.8 14.2 52 52 A A T 3<5S- 0 0 0 -4,-1.2 -1,-0.2 -5,-0.1 -2,-0.2 0.291 112.0-122.7 -92.7 7.7 -3.0 -11.6 12.6 53 53 A A T < 5S+ 0 0 7 -3,-0.6 -3,-0.2 2,-0.1 3,-0.1 0.863 71.8 133.1 47.2 43.9 -0.6 -9.7 14.9 54 54 A L < - 0 0 42 -5,-3.1 2,-0.6 1,-0.3 -4,-0.2 0.026 66.2-123.7-106.6 23.9 1.2 -8.3 11.9 55 55 A G - 0 0 3 -6,-0.3 -1,-0.3 -5,-0.1 2,-0.2 -0.613 51.1 -48.9 78.1-115.1 1.3 -4.7 13.3 56 56 A D >> - 0 0 17 -2,-0.6 4,-1.5 -3,-0.1 3,-0.7 -0.856 52.9 -86.2-147.2-179.7 -0.4 -2.3 10.9 57 57 A I H 3> S+ 0 0 27 -2,-0.2 4,-2.3 1,-0.2 -14,-0.0 0.850 123.4 56.5 -61.0 -36.9 -0.5 -0.9 7.3 58 58 A G H 34 S+ 0 0 36 1,-0.2 -1,-0.2 2,-0.2 5,-0.1 0.730 104.6 53.1 -68.5 -23.8 2.4 1.4 8.0 59 59 A K H <4 S+ 0 0 106 -3,-0.7 -2,-0.2 1,-0.1 -1,-0.2 0.887 113.4 40.0 -79.5 -43.3 4.6 -1.5 9.1 60 60 A L H < S+ 0 0 30 -4,-1.5 -2,-0.2 1,-0.3 -3,-0.1 0.884 129.6 31.3 -69.1 -40.9 4.1 -3.6 6.0 61 61 A F S < S- 0 0 18 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.1 -0.754 84.5-174.5-124.9 81.6 4.2 -0.5 3.7 62 62 A P - 0 0 53 0, 0.0 6,-0.2 0, 0.0 -3,-0.1 -0.079 38.2-108.4 -69.8 171.3 6.6 2.1 5.2 63 63 A D S S+ 0 0 168 1,-0.2 6,-0.0 -5,-0.1 -5,-0.0 0.901 116.9 50.8 -63.3 -43.6 7.2 5.7 3.9 64 64 A T S S+ 0 0 133 2,-0.0 -1,-0.2 3,-0.0 5,-0.1 0.915 86.1 90.6 -64.1 -50.1 10.8 4.7 2.8 65 65 A D > - 0 0 64 1,-0.2 3,-0.5 2,-0.1 4,-0.2 -0.313 56.2-167.2 -56.9 112.7 9.9 1.6 0.7 66 66 A P G > S+ 0 0 98 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 0.622 72.0 85.3 -77.3 -12.7 9.2 2.7 -2.9 67 67 A A G 3 S+ 0 0 73 1,-0.2 -2,-0.1 3,-0.0 -6,-0.0 0.864 98.9 32.7 -55.7 -42.7 7.7 -0.6 -3.8 68 68 A F G X S+ 0 0 52 -3,-0.5 3,-1.7 -6,-0.2 2,-0.3 0.390 87.7 126.4 -99.6 1.5 4.2 0.3 -2.6 69 69 A K T < S+ 0 0 181 -3,-0.8 3,-0.1 1,-0.2 -6,-0.0 -0.466 79.4 14.1 -64.8 119.6 4.5 4.0 -3.4 70 70 A G T 3 S+ 0 0 83 1,-0.3 -1,-0.2 -2,-0.3 2,-0.2 0.306 91.9 133.6 99.0 -6.9 1.5 5.0 -5.6 71 71 A A < - 0 0 17 -3,-1.7 -1,-0.3 1,-0.1 -35,-0.2 -0.544 54.4-121.6 -77.2 139.5 -0.6 1.8 -4.9 72 72 A D > - 0 0 59 -2,-0.2 4,-1.8 -37,-0.1 3,-0.4 -0.272 27.4-103.7 -75.2 167.3 -4.3 2.3 -4.1 73 73 A S H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.755 119.3 57.9 -67.5 -27.8 -5.9 1.0 -0.9 74 74 A R H > S+ 0 0 52 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.856 108.0 47.6 -68.7 -36.5 -7.5 -2.0 -2.5 75 75 A E H > S+ 0 0 93 -3,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.863 112.7 49.2 -67.6 -39.1 -4.1 -3.2 -3.7 76 76 A L H X S+ 0 0 13 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.845 112.3 48.8 -67.2 -36.4 -2.8 -2.6 -0.2 77 77 A L H X S+ 0 0 0 -4,-2.2 4,-3.3 2,-0.2 -2,-0.2 0.929 111.1 47.9 -68.9 -48.3 -5.7 -4.6 1.2 78 78 A R H X S+ 0 0 101 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.836 115.4 46.3 -62.6 -35.6 -5.2 -7.5 -1.1 79 79 A E H X S+ 0 0 45 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.931 114.3 46.3 -71.2 -48.8 -1.5 -7.6 -0.4 80 80 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.919 112.9 51.4 -56.2 -45.2 -2.1 -7.3 3.4 81 81 A W H X S+ 0 0 12 -4,-3.3 4,-2.4 1,-0.2 -1,-0.2 0.837 107.6 52.9 -61.2 -35.7 -4.7 -10.0 3.1 82 82 A R H X S+ 0 0 127 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.909 109.2 48.3 -65.4 -44.2 -2.2 -12.2 1.2 83 83 A R H < S+ 0 0 69 -4,-2.3 4,-0.3 2,-0.2 -2,-0.2 0.878 112.6 50.0 -60.6 -40.9 0.3 -11.7 4.1 84 84 A I H ><>S+ 0 0 0 -4,-2.3 5,-1.5 1,-0.2 3,-1.0 0.904 111.8 46.1 -65.2 -45.1 -2.5 -12.7 6.5 85 85 A Q H ><5S+ 0 0 93 -4,-2.4 3,-1.6 1,-0.3 -2,-0.2 0.808 103.9 63.4 -68.9 -30.2 -3.5 -15.8 4.6 86 86 A A T 3<5S+ 0 0 82 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.606 98.9 56.6 -67.0 -13.1 0.2 -16.7 4.3 87 87 A K T < 5S- 0 0 71 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.405 128.9 -98.7 -97.4 -2.2 0.1 -17.0 8.1 88 88 A G T < 5S+ 0 0 40 -3,-1.6 2,-0.2 1,-0.3 -3,-0.2 0.452 76.5 138.4 103.0 4.6 -2.7 -19.5 7.9 89 89 A Y < - 0 0 10 -5,-1.5 -1,-0.3 67,-0.1 2,-0.3 -0.568 29.3-171.6 -89.8 144.2 -5.7 -17.3 8.6 90 90 A T E -B 155 0A 74 65,-2.0 65,-2.6 -2,-0.2 2,-0.4 -0.810 34.0 -90.9-120.7 168.2 -9.1 -17.3 6.9 91 91 A L E +B 154 0A 22 -2,-0.3 63,-0.2 63,-0.2 3,-0.1 -0.655 34.1 171.4 -88.0 131.6 -12.0 -14.8 7.3 92 92 A G E - 0 0 12 61,-2.7 2,-0.3 -2,-0.4 62,-0.2 0.848 67.0 -55.0 -88.7 -68.7 -14.8 -15.1 9.8 93 93 A N E -B 153 0A 0 60,-1.3 60,-2.5 29,-0.0 2,-0.3 -0.961 44.5-139.2-167.0 161.9 -16.4 -11.7 9.2 94 94 A V E -Bc 152 127A 0 32,-2.5 34,-1.8 -2,-0.3 2,-0.4 -0.959 5.8-163.9-128.9 148.7 -15.7 -7.9 9.2 95 95 A D E -Bc 151 128A 0 56,-2.5 56,-2.5 -2,-0.3 2,-0.5 -0.984 8.6-166.6-134.0 123.3 -17.6 -4.9 10.5 96 96 A V E -Bc 150 129A 0 32,-2.3 34,-2.9 -2,-0.4 2,-0.6 -0.928 5.7-166.6-116.2 127.0 -16.7 -1.4 9.3 97 97 A T E -Bc 149 130A 0 52,-2.8 52,-3.3 -2,-0.5 2,-0.5 -0.911 8.9-158.4-114.7 103.2 -18.0 1.8 11.0 98 98 A I E -Bc 148 131A 0 32,-3.4 34,-2.3 -2,-0.6 2,-0.8 -0.702 5.4-155.9 -79.2 122.7 -17.4 4.9 8.8 99 99 A I E +Bc 147 132A 7 48,-2.7 48,-2.3 -2,-0.5 2,-0.3 -0.867 38.6 131.9-104.9 100.2 -17.4 8.0 11.1 100 100 A A - 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