==== 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 19-NOV-08 3FBA . COMPND 2 MOLECULE: 2-C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE SYNT . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR W.N.HUNTER,N.L.RAMSDEN . 158 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8006.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 98 62.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 19.6 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 . 1 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 . 6 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 0 0 0 0 0 0 1 0 1 1 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 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 PARALLEL BRIDGES PER LADDER . 0 1 1 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 L 0 0 180 0, 0.0 2,-0.4 0, 0.0 156,-0.0 0.000 360.0 360.0 360.0 93.9 75.6 75.7 141.4 2 0 A E - 0 0 91 2,-0.0 156,-2.1 0, 0.0 2,-0.4 -0.809 360.0-155.4 -90.5 130.5 76.3 74.6 137.8 3 1 A M E -A 157 0A 93 -2,-0.4 2,-0.4 154,-0.2 154,-0.2 -0.872 6.1-163.3-111.6 144.2 78.5 71.5 137.3 4 2 A R E -A 156 0A 78 152,-2.9 152,-2.9 -2,-0.4 2,-0.3 -0.981 6.0-148.9-133.7 134.4 80.7 70.5 134.3 5 3 A I E -A 155 0A 132 -2,-0.4 2,-0.3 150,-0.2 150,-0.2 -0.703 14.6-176.9-100.2 145.8 82.3 67.3 133.2 6 4 A G E -A 154 0A 5 148,-2.4 148,-2.5 -2,-0.3 2,-0.3 -0.992 8.4-159.3-142.6 149.7 85.5 66.8 131.1 7 5 A H E -A 153 0A 105 -2,-0.3 2,-0.3 41,-0.3 146,-0.2 -0.955 8.4-175.8-128.7 147.2 87.5 63.9 129.6 8 6 A G E -A 152 0A 3 144,-2.4 144,-2.3 -2,-0.3 2,-0.3 -0.987 4.6-175.7-143.0 151.2 91.1 63.6 128.6 9 7 A F E +A 151 0A 104 -2,-0.3 2,-0.3 142,-0.2 142,-0.2 -0.995 7.3 173.6-146.5 141.8 93.3 61.0 126.9 10 8 A D E -A 150 0A 35 140,-1.9 140,-1.9 -2,-0.3 2,-0.4 -0.994 9.3-170.1-154.7 145.7 97.0 60.8 126.1 11 9 A V E -A 149 0A 53 -2,-0.3 2,-0.3 138,-0.2 138,-0.2 -0.992 3.0-178.8-136.1 139.6 99.7 58.4 124.7 12 10 A H E -A 148 0A 38 136,-2.1 136,-2.4 -2,-0.4 2,-0.2 -0.997 22.6-129.9-137.3 140.7 103.5 58.5 124.5 13 11 A A E -A 147 0A 50 21,-0.4 21,-2.6 -2,-0.3 134,-0.3 -0.543 28.2-109.9 -84.8 149.1 105.9 55.9 123.0 14 12 A F E +D 33 0B 16 132,-2.6 19,-0.3 19,-0.2 2,-0.2 -0.535 53.4 136.7 -76.6 146.0 108.9 54.6 124.9 15 13 A G E + 0 0 15 17,-2.8 17,-0.4 -2,-0.2 16,-0.0 -0.876 39.0 18.6 179.2 152.0 112.4 55.7 123.7 16 14 A G E S- 0 0 62 -2,-0.2 16,-1.3 15,-0.1 2,-0.2 -0.141 96.7 -30.0 74.9-174.3 115.8 56.9 124.9 17 15 A E E S-D 31 0B 183 14,-0.2 14,-0.2 1,-0.1 16,-0.2 -0.508 78.7 -92.7 -79.2 144.2 117.3 56.6 128.4 18 16 A G S S+ 0 0 27 12,-0.6 14,-0.2 11,-0.3 2,-0.2 -0.116 71.4 91.6 -61.9 175.5 115.1 56.6 131.5 19 17 A P - 0 0 39 0, 0.0 14,-0.4 0, 0.0 2,-0.3 0.526 51.7-153.4 -84.9-170.9 113.6 57.9 133.8 20 18 A I E -E 27 0C 3 7,-2.3 7,-2.9 12,-0.2 2,-0.6 -0.878 10.7-132.9-121.1 157.6 110.1 58.9 132.9 21 19 A I E +E 26 0C 39 17,-0.5 2,-0.4 -2,-0.3 20,-0.4 -0.969 30.3 168.4-112.5 118.4 107.9 61.7 134.3 22 20 A I E > S-E 25 0C 0 3,-2.3 3,-1.5 -2,-0.6 18,-0.1 -0.987 73.2 -10.9-131.4 121.3 104.4 60.6 135.2 23 21 A G T 3 S- 0 0 0 -2,-0.4 95,-0.2 1,-0.3 94,-0.2 0.774 128.8 -57.5 62.6 28.6 102.1 62.8 137.3 24 22 A G T 3 S+ 0 0 17 1,-0.3 2,-0.3 93,-0.1 -1,-0.3 0.035 112.8 118.1 92.4 -23.9 105.1 65.1 138.0 25 23 A V E < -E 22 0C 14 -3,-1.5 -3,-2.3 85,-0.1 2,-0.6 -0.605 64.5-132.7 -86.8 132.5 107.1 62.2 139.6 26 24 A R E -E 21 0C 177 -2,-0.3 -5,-0.2 -5,-0.2 -1,-0.0 -0.754 30.6-169.8 -80.5 116.1 110.4 61.0 138.1 27 25 A I E -E 20 0C 2 -7,-2.9 -7,-2.3 -2,-0.6 2,-0.2 -0.931 22.1-118.3-114.7 131.1 110.1 57.2 138.0 28 26 A P + 0 0 97 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.481 46.4 152.4 -73.4 137.1 113.0 55.0 137.2 29 27 A Y - 0 0 47 -2,-0.2 -11,-0.3 1,-0.1 -2,-0.0 -0.983 54.2-114.5-159.7 153.6 112.7 52.8 134.1 30 28 A E S S+ 0 0 157 -2,-0.3 -12,-0.6 -13,-0.1 2,-0.2 0.839 102.2 31.9 -60.3 -37.4 114.8 51.2 131.4 31 29 A K E S-D 17 0B 93 -14,-0.2 -14,-0.2 -3,-0.1 2,-0.2 -0.737 75.8-138.6-113.1 166.9 113.5 53.4 128.6 32 30 A G E - 0 0 3 -16,-1.3 -17,-2.8 -17,-0.4 2,-0.5 -0.410 31.0 -91.8-103.7-170.3 112.3 57.0 128.6 33 31 A L E -D 14 0B 24 -14,-0.4 2,-0.4 -19,-0.3 -19,-0.2 -0.940 27.9-131.0-110.6 125.1 109.3 58.6 126.8 34 32 A L + 0 0 103 -21,-2.6 -21,-0.4 -2,-0.5 2,-0.3 -0.600 52.6 130.7 -68.5 121.2 109.5 60.2 123.3 35 33 A A - 0 0 41 -2,-0.4 -23,-0.0 1,-0.1 -2,-0.0 -0.953 65.6-127.2-167.8 153.1 107.9 63.6 123.5 36 34 A H S S+ 0 0 179 -2,-0.3 -1,-0.1 2,-0.0 36,-0.1 0.946 106.6 37.2 -63.6 -49.8 108.3 67.4 122.6 37 35 A S S S- 0 0 39 -3,-0.1 37,-0.2 35,-0.1 -2,-0.1 -0.001 123.7 -71.7 -81.2-165.5 107.5 68.2 126.3 38 36 A D - 0 0 47 35,-0.4 -17,-0.5 2,-0.1 -5,-0.2 0.550 67.0-122.5 -67.8 -7.5 108.6 66.1 129.3 39 37 A G + 0 0 0 1,-0.2 2,-1.9 -19,-0.1 3,-0.1 0.680 47.4 169.1 76.2 21.2 106.1 63.5 128.1 40 38 A D > - 0 0 0 1,-0.2 4,-1.9 -18,-0.1 3,-0.4 -0.502 10.0-176.2 -72.6 84.5 104.1 63.4 131.3 41 39 A V H > S+ 0 0 0 -2,-1.9 4,-2.0 -20,-0.4 -1,-0.2 0.797 76.4 53.6 -48.6 -41.2 101.2 61.4 129.9 42 40 A A H > S+ 0 0 3 1,-0.2 4,-1.5 -21,-0.2 -1,-0.2 0.883 110.4 45.1 -71.5 -39.0 99.1 61.6 133.2 43 41 A L H > S+ 0 0 0 -3,-0.4 4,-2.7 2,-0.2 -2,-0.2 0.827 111.4 53.0 -75.2 -30.9 99.3 65.4 133.4 44 42 A H H X S+ 0 0 17 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.962 111.1 46.5 -64.2 -50.9 98.5 66.0 129.7 45 43 A A H X S+ 0 0 0 -4,-2.0 4,-1.4 1,-0.2 107,-0.2 0.848 113.4 49.7 -59.4 -37.5 95.4 63.8 130.0 46 44 A L H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.933 110.6 49.4 -68.4 -46.1 94.4 65.6 133.2 47 45 A T H X S+ 0 0 1 -4,-2.7 4,-3.3 1,-0.2 5,-0.3 0.930 110.0 51.1 -56.4 -48.4 94.9 69.0 131.6 48 46 A D H X S+ 0 0 32 -4,-2.8 4,-2.2 1,-0.2 -41,-0.3 0.817 110.2 49.9 -59.1 -34.4 92.8 68.0 128.6 49 47 A A H X S+ 0 0 0 -4,-1.4 4,-2.0 -5,-0.2 105,-0.3 0.898 113.4 46.0 -70.6 -42.4 90.0 66.8 131.0 50 48 A L H X S+ 0 0 1 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.965 116.5 43.7 -61.8 -52.7 90.1 70.1 132.9 51 49 A L H <>S+ 0 0 0 -4,-3.3 5,-2.7 1,-0.2 6,-0.3 0.899 111.5 55.2 -61.4 -43.6 90.2 72.2 129.7 52 50 A G H ><5S+ 0 0 30 -4,-2.2 3,-1.9 -5,-0.3 -1,-0.2 0.908 104.9 52.3 -54.7 -47.2 87.5 70.1 128.1 53 51 A A H 3<5S+ 0 0 1 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.825 110.4 48.4 -61.6 -31.0 85.1 70.6 131.1 54 52 A A T 3<5S- 0 0 0 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.323 114.6-120.5 -87.7 11.3 85.6 74.4 130.7 55 53 A A T < 5S+ 0 0 69 -3,-1.9 -3,-0.2 2,-0.1 -2,-0.1 0.843 75.3 130.1 45.3 43.1 85.0 74.1 126.9 56 54 A L < - 0 0 18 -5,-2.7 2,-0.6 1,-0.3 -4,-0.2 0.164 66.8-123.7-105.9 15.9 88.4 75.5 126.2 57 55 A G - 0 0 39 -6,-0.3 -1,-0.3 -5,-0.2 2,-0.2 -0.714 46.7 -58.5 89.5-118.3 89.5 72.8 123.8 58 56 A D >> - 0 0 68 -2,-0.6 3,-1.3 -7,-0.1 4,-0.9 -0.853 55.4 -82.2-150.6-178.1 92.6 70.9 124.6 59 57 A I H >> S+ 0 0 20 -2,-0.2 4,-4.7 1,-0.2 3,-1.0 0.924 125.8 58.3 -59.1 -44.3 96.4 71.7 125.3 60 58 A G H 34 S+ 0 0 41 1,-0.3 -1,-0.2 2,-0.2 5,-0.1 0.360 108.1 46.8 -71.2 5.0 97.0 71.7 121.5 61 59 A K H <4 S+ 0 0 147 -3,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.461 122.6 33.9-116.5 -17.1 94.5 74.4 121.1 62 60 A L H << S+ 0 0 22 -3,-1.0 -2,-0.2 -4,-0.9 -3,-0.2 0.782 133.3 24.1 -99.8 -40.7 95.8 76.5 124.0 63 61 A F S < S- 0 0 14 -4,-4.7 -1,-0.1 -5,-0.2 -2,-0.1 -0.640 81.2-154.7-129.4 73.4 99.6 75.7 123.7 64 62 A P - 0 0 33 0, 0.0 6,-0.2 0, 0.0 -4,-0.1 -0.196 17.3-136.4 -49.7 128.8 100.4 74.7 120.1 65 63 A D S S+ 0 0 119 1,-0.2 -5,-0.0 -5,-0.1 5,-0.0 0.919 109.0 52.6 -44.1 -49.0 103.5 72.5 119.8 66 64 A T S S+ 0 0 102 1,-0.1 -1,-0.2 5,-0.0 5,-0.0 0.947 109.9 114.7 -53.3 -54.1 104.4 74.7 116.8 67 65 A D - 0 0 80 3,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.870 65.8 -89.2-162.3-176.4 104.0 78.0 118.7 68 66 A P S S- 0 0 86 0, 0.0 3,-0.2 0, 0.0 -5,-0.1 -0.820 86.0 -8.0-110.2 -39.2 104.1 80.8 120.3 69 67 A A S S+ 0 0 80 -2,-0.2 -6,-0.1 1,-0.2 -2,-0.0 0.370 114.4 60.6-107.6 0.8 104.7 81.7 124.0 70 68 A F + 0 0 84 -6,-0.2 3,-0.4 3,-0.0 2,-0.2 -0.303 64.6 137.9-137.6 44.4 104.8 78.2 125.7 71 69 A K + 0 0 141 1,-0.2 -6,-0.1 -3,-0.2 -5,-0.0 -0.598 65.2 20.2 -95.3 157.9 107.6 76.1 124.3 72 70 A G S S+ 0 0 88 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.905 88.1 147.4 50.9 47.4 110.0 74.0 126.3 73 71 A A - 0 0 16 -3,-0.4 -35,-0.4 2,-0.0 -1,-0.2 -0.917 48.6-123.9-113.5 138.7 107.6 73.8 129.2 74 72 A D >> - 0 0 58 -2,-0.4 4,-1.4 -37,-0.2 3,-1.4 -0.513 34.1-106.9 -75.8 152.2 107.2 70.9 131.6 75 73 A S H 3> S+ 0 0 0 1,-0.3 4,-2.0 2,-0.2 -1,-0.1 0.644 116.4 61.4 -59.8 -19.7 103.7 69.5 131.9 76 74 A R H 3> S+ 0 0 43 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.857 102.3 51.0 -74.6 -37.3 103.1 71.0 135.4 77 75 A E H <> S+ 0 0 94 -3,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.924 112.6 47.2 -62.5 -45.8 103.6 74.5 134.1 78 76 A L H X S+ 0 0 14 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.884 111.7 50.2 -61.3 -42.4 101.1 73.8 131.4 79 77 A L H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.944 113.0 46.2 -60.1 -48.0 98.7 72.3 134.0 80 78 A R H X S+ 0 0 71 -4,-2.7 4,-1.2 2,-0.2 -2,-0.2 0.831 113.9 48.4 -65.9 -34.8 99.0 75.3 136.2 81 79 A E H X S+ 0 0 44 -4,-2.2 4,-1.8 2,-0.2 3,-0.3 0.916 110.4 50.1 -72.0 -45.5 98.6 77.8 133.3 82 80 A A H X S+ 0 0 1 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.872 109.3 54.5 -56.4 -38.1 95.5 75.9 132.0 83 81 A W H X S+ 0 0 12 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.798 103.3 54.2 -70.9 -30.5 94.1 76.1 135.6 84 82 A R H X S+ 0 0 137 -4,-1.2 4,-2.6 -3,-0.3 -1,-0.2 0.940 110.9 46.3 -62.0 -48.5 94.6 79.9 135.7 85 83 A R H X S+ 0 0 109 -4,-1.8 4,-0.9 2,-0.2 -2,-0.2 0.801 111.4 51.2 -66.7 -31.4 92.5 80.2 132.6 86 84 A I H <>S+ 0 0 0 -4,-1.8 5,-1.4 2,-0.2 3,-0.4 0.897 112.8 46.1 -72.4 -38.1 89.9 77.8 133.9 87 85 A Q H ><5S+ 0 0 98 -4,-2.0 3,-2.3 1,-0.2 -2,-0.2 0.879 103.2 64.5 -69.5 -34.7 89.7 79.9 137.1 88 86 A A H 3<5S+ 0 0 84 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.815 98.6 54.7 -54.5 -33.4 89.6 83.0 134.9 89 87 A K T 3<5S- 0 0 87 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.203 127.7-101.1 -86.5 17.4 86.2 81.8 133.6 90 88 A G T < 5S+ 0 0 43 -3,-2.3 2,-0.4 1,-0.2 -3,-0.2 0.794 74.0 142.8 71.8 30.6 85.0 81.5 137.2 91 89 A Y < - 0 0 15 -5,-1.4 2,-0.3 65,-0.0 -1,-0.2 -0.805 30.2-166.7-102.7 145.8 85.4 77.8 137.8 92 90 A T E -B 157 0A 73 65,-2.4 65,-3.5 -2,-0.4 2,-0.3 -0.889 35.3 -89.5-120.7 158.4 86.4 75.9 140.9 93 91 A L E +B 156 0A 22 -2,-0.3 63,-0.2 63,-0.2 3,-0.1 -0.473 33.2 176.2 -73.9 130.1 87.5 72.3 141.2 94 92 A G E - 0 0 14 61,-2.6 2,-0.3 1,-0.3 62,-0.2 0.878 64.0 -66.5 -82.3 -76.1 84.9 69.6 141.9 95 93 A N E -B 155 0A 70 60,-1.1 60,-2.0 2,-0.0 2,-0.3 -0.960 40.9-135.0-169.6 163.9 87.4 66.7 141.6 96 94 A V E -Bc 154 129A 0 32,-2.7 34,-1.9 -2,-0.3 2,-0.4 -0.953 8.1-164.4-128.0 147.9 89.6 64.8 139.2 97 95 A D E -Bc 153 130A 45 56,-2.7 56,-2.8 -2,-0.3 2,-0.4 -0.998 8.8-165.4-132.7 130.6 90.2 61.1 138.6 98 96 A V E -Bc 152 131A 2 32,-2.4 34,-2.1 -2,-0.4 2,-0.5 -0.935 6.4-166.3-120.0 134.3 93.2 59.7 136.6 99 97 A T E -Bc 151 132A 37 52,-3.9 52,-2.8 -2,-0.4 2,-0.3 -0.924 8.3-160.1-123.3 108.4 93.7 56.3 135.2 100 98 A I E -Bc 150 133A 0 32,-3.4 34,-2.1 -2,-0.5 2,-0.5 -0.657 2.6-160.5 -84.0 136.6 97.3 55.3 134.0 101 99 A I E +Bc 149 134A 30 48,-3.1 48,-2.5 -2,-0.3 2,-0.3 -0.947 33.7 130.7-123.7 107.6 97.5 52.4 131.6 102 100 A A - 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