==== 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 02-FEB-05 1YQN . COMPND 2 MOLECULE: 2-C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE SYNT . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR T.SGRAJA,L.E.KEMP,N.RAMSDEN,W.N.HUNTER . 158 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8000.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 100 63.3 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 A 0 0 132 0, 0.0 2,-0.3 0, 0.0 156,-0.0 0.000 360.0 360.0 360.0 111.5 40.0 -32.1 38.8 2 0 A E - 0 0 101 156,-0.7 156,-2.1 2,-0.0 2,-0.4 -0.687 360.0-148.7 -88.5 141.6 38.6 -31.7 42.3 3 1 A M E -A 157 0A 113 -2,-0.3 2,-0.4 154,-0.2 154,-0.2 -0.919 8.2-161.2-121.5 139.8 35.5 -29.5 42.8 4 2 A R E -A 156 0A 75 152,-2.8 152,-2.6 -2,-0.4 2,-0.3 -0.963 4.9-151.3-130.8 130.3 34.5 -27.3 45.7 5 3 A I E -A 155 0A 139 -2,-0.4 2,-0.3 150,-0.2 150,-0.2 -0.654 15.6-178.1 -94.3 145.6 31.1 -25.8 46.9 6 4 A G E -A 154 0A 6 148,-2.2 148,-2.3 -2,-0.3 2,-0.3 -0.994 9.7-159.9-143.5 151.7 30.7 -22.6 48.9 7 5 A H E -A 153 0A 104 -2,-0.3 2,-0.3 41,-0.3 146,-0.2 -0.971 8.1-177.1-131.3 145.8 27.8 -20.6 50.4 8 6 A G E -A 152 0A 2 144,-2.7 144,-2.4 -2,-0.3 2,-0.3 -0.989 3.5-176.5-141.9 150.3 27.4 -17.0 51.5 9 7 A F E +A 151 0A 102 -2,-0.3 2,-0.3 142,-0.2 142,-0.2 -0.984 7.9 172.1-149.0 134.8 24.7 -14.9 53.1 10 8 A D E -A 150 0A 32 140,-2.4 140,-2.1 -2,-0.3 2,-0.3 -0.996 11.7-169.0-146.9 151.3 24.6 -11.2 54.0 11 9 A V E -A 149 0A 53 -2,-0.3 2,-0.3 138,-0.2 138,-0.2 -0.994 4.5-179.0-136.3 140.8 22.2 -8.5 55.3 12 10 A H E -A 148 0A 39 136,-2.0 136,-2.5 -2,-0.3 2,-0.2 -0.992 22.1-127.4-138.1 147.6 22.4 -4.7 55.5 13 11 A A E -A 147 0A 49 21,-0.4 21,-2.8 -2,-0.3 134,-0.3 -0.584 23.5-109.3 -95.5 151.7 19.9 -2.1 56.9 14 12 A F E +D 33 0B 20 132,-2.4 19,-0.3 19,-0.2 2,-0.2 -0.464 49.4 142.1 -76.6 150.8 18.5 1.0 55.2 15 13 A G E - 0 0 18 17,-2.7 17,-0.3 1,-0.2 2,-0.0 -0.787 43.6 -0.7 173.5 139.9 19.5 4.4 56.4 16 14 A G E S- 0 0 44 -2,-0.2 16,-0.9 15,-0.1 2,-0.2 -0.262 97.6 -15.3 71.7-156.9 20.3 7.9 55.1 17 15 A E E S-D 31 0B 163 14,-0.2 14,-0.2 1,-0.1 16,-0.2 -0.522 76.9 -91.8 -85.6 144.0 20.3 9.1 51.5 18 16 A G S S+ 0 0 30 12,-0.8 14,-0.2 11,-0.3 2,-0.2 -0.204 70.2 87.3 -61.8 170.4 20.3 6.9 48.4 19 17 A P - 0 0 35 0, 0.0 14,-0.5 0, 0.0 2,-0.3 0.498 50.0-155.3 -90.0-167.3 21.7 5.5 46.3 20 18 A I E -E 27 0C 3 7,-2.5 7,-3.3 12,-0.2 2,-0.6 -0.911 12.3-134.5-119.2 151.3 22.7 2.0 47.2 21 19 A I E +E 26 0C 38 17,-0.5 2,-0.4 -2,-0.3 20,-0.3 -0.954 30.2 169.7-104.9 123.3 25.5 -0.1 45.8 22 20 A I E > S-E 25 0C 0 3,-2.6 3,-1.6 -2,-0.6 18,-0.1 -0.982 71.9 -9.3-134.5 122.3 24.5 -3.6 44.9 23 21 A G T 3 S- 0 0 1 -2,-0.4 95,-0.2 1,-0.3 94,-0.2 0.840 128.8 -58.7 59.4 34.9 26.8 -5.9 42.9 24 22 A G T 3 S+ 0 0 16 1,-0.2 2,-0.4 93,-0.1 -1,-0.3 0.111 113.7 121.2 83.0 -21.2 29.0 -2.9 42.2 25 23 A V E < -E 22 0C 12 -3,-1.6 -3,-2.6 85,-0.1 2,-0.7 -0.615 62.9-134.6 -84.1 129.2 26.1 -1.1 40.6 26 24 A R E -E 21 0C 179 -2,-0.4 -5,-0.2 -5,-0.2 -1,-0.0 -0.745 29.7-171.5 -82.0 115.1 24.9 2.2 42.0 27 25 A I E -E 20 0C 1 -7,-3.3 -7,-2.5 -2,-0.7 2,-0.2 -0.942 22.0-121.4-118.4 126.5 21.1 2.0 42.1 28 26 A P + 0 0 99 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.445 45.1 149.8 -69.9 135.4 18.8 5.0 42.9 29 27 A Y - 0 0 47 -2,-0.2 -11,-0.3 1,-0.1 -2,-0.0 -0.961 54.9-113.6-161.5 151.3 16.5 4.5 46.0 30 28 A E S S+ 0 0 149 -2,-0.3 -12,-0.8 -13,-0.1 2,-0.2 0.901 103.3 40.5 -57.9 -45.7 14.9 6.7 48.6 31 29 A K E S-D 17 0B 93 -14,-0.2 -14,-0.2 -3,-0.1 2,-0.2 -0.666 76.4-145.2 -97.8 158.0 17.0 5.2 51.4 32 30 A G E - 0 0 2 -16,-0.9 -17,-2.7 -17,-0.3 2,-0.5 -0.469 29.6 -93.2-104.0-174.6 20.7 4.3 51.4 33 31 A L E -D 14 0B 25 -14,-0.5 2,-0.3 -19,-0.3 -19,-0.2 -0.920 26.9-128.9-111.1 125.6 22.4 1.3 53.1 34 32 A L + 0 0 105 -21,-2.8 -21,-0.4 -2,-0.5 2,-0.3 -0.534 49.5 146.1 -67.6 124.1 24.1 1.6 56.6 35 33 A A - 0 0 43 -2,-0.3 -23,-0.0 2,-0.1 -2,-0.0 -0.996 59.6-141.3-158.1 155.2 27.6 0.1 56.3 36 34 A H S S+ 0 0 172 -2,-0.3 -1,-0.1 37,-0.0 2,-0.1 0.729 108.7 24.4 -87.4 -30.8 31.2 0.2 57.4 37 35 A S S S- 0 0 38 -3,-0.1 37,-0.2 35,-0.0 -2,-0.1 0.105 128.6 -63.2 -96.4-139.0 32.2 -0.5 53.8 38 36 A D - 0 0 40 35,-0.4 -17,-0.5 2,-0.1 -5,-0.2 0.374 65.5-120.9 -94.1 4.6 29.9 0.4 50.9 39 37 A G + 0 0 0 1,-0.2 2,-1.7 -19,-0.1 3,-0.1 0.649 50.4 164.3 71.3 17.9 27.2 -2.0 52.2 40 38 A D > - 0 0 0 1,-0.2 4,-2.3 -18,-0.1 -1,-0.2 -0.521 12.0-179.9 -71.7 86.2 27.1 -4.1 49.0 41 39 A V H > S+ 0 0 0 -2,-1.7 4,-2.8 -20,-0.3 5,-0.2 0.837 76.9 58.4 -55.3 -39.4 25.3 -7.2 50.3 42 40 A A H > S+ 0 0 3 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.940 111.8 38.5 -59.4 -49.2 25.5 -8.9 46.9 43 41 A L H > S+ 0 0 1 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.856 115.0 53.7 -73.3 -35.5 29.3 -8.7 46.7 44 42 A H H X S+ 0 0 15 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.957 111.2 45.9 -59.3 -51.2 29.7 -9.5 50.4 45 43 A A H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 107,-0.3 0.856 113.8 49.7 -61.2 -37.7 27.5 -12.6 50.1 46 44 A L H X S+ 0 0 0 -4,-1.8 4,-2.5 -5,-0.2 -1,-0.2 0.919 109.0 51.6 -66.3 -45.2 29.4 -13.6 46.9 47 45 A T H X S+ 0 0 2 -4,-2.8 4,-3.2 1,-0.2 5,-0.2 0.921 110.5 48.2 -59.8 -45.9 32.8 -13.2 48.6 48 46 A D H X S+ 0 0 32 -4,-2.5 4,-3.1 2,-0.2 -41,-0.3 0.903 110.6 51.6 -60.1 -42.4 31.8 -15.4 51.5 49 47 A A H X S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.2 105,-0.3 0.908 114.4 43.7 -60.2 -43.4 30.5 -18.0 49.1 50 48 A L H X S+ 0 0 2 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.933 116.3 45.5 -67.2 -49.8 33.8 -17.9 47.3 51 49 A L H <>S+ 0 0 0 -4,-3.2 5,-1.8 1,-0.2 6,-0.3 0.919 111.4 53.3 -60.0 -46.6 36.0 -17.9 50.4 52 50 A G H ><5S+ 0 0 32 -4,-3.1 3,-1.2 1,-0.2 -1,-0.2 0.853 106.5 52.4 -57.8 -38.6 33.9 -20.7 52.0 53 51 A A H 3<5S+ 0 0 0 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.874 112.7 44.7 -64.5 -37.5 34.4 -22.9 49.0 54 52 A A T 3<5S- 0 0 5 -4,-1.6 -1,-0.3 -3,-0.1 -2,-0.2 0.267 115.5-121.9 -86.3 11.4 38.2 -22.3 49.3 55 53 A A T < 5S+ 0 0 65 -3,-1.2 -3,-0.2 -5,-0.1 -2,-0.1 0.927 72.1 131.1 40.7 60.9 37.8 -22.9 53.1 56 54 A L < - 0 0 31 -5,-1.8 2,-0.5 1,-0.3 -4,-0.2 0.166 65.5-120.7-121.6 14.2 39.2 -19.5 54.0 57 55 A G - 0 0 44 -6,-0.3 -1,-0.3 -5,-0.1 2,-0.2 -0.744 50.4 -52.1 91.9-121.3 36.5 -18.4 56.5 58 56 A D > - 0 0 73 -2,-0.5 4,-2.1 -7,-0.1 3,-0.4 -0.834 52.7 -88.4-143.9-178.6 34.7 -15.2 55.7 59 57 A I H > S+ 0 0 34 -2,-0.2 4,-3.7 1,-0.2 -1,-0.1 0.901 124.3 56.3 -61.4 -43.6 35.3 -11.5 54.8 60 58 A G H 4 S+ 0 0 31 1,-0.2 5,-0.2 2,-0.2 -1,-0.2 0.732 108.8 48.6 -61.1 -24.4 35.4 -10.5 58.5 61 59 A K H 4 S+ 0 0 145 -3,-0.4 -2,-0.2 3,-0.1 -1,-0.2 0.918 117.4 38.7 -79.9 -49.0 38.1 -13.1 58.9 62 60 A L H < S+ 0 0 26 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.2 0.863 130.9 29.1 -66.4 -40.0 40.2 -11.9 55.9 63 61 A F S < S- 0 0 22 -4,-3.7 -1,-0.3 -5,-0.2 -2,-0.1 -0.805 88.2-142.8-128.0 87.6 39.5 -8.2 56.5 64 62 A P - 0 0 50 0, 0.0 -3,-0.1 0, 0.0 6,-0.1 -0.131 24.8-112.6 -51.8 144.6 38.9 -7.5 60.3 65 63 A D S S+ 0 0 139 -5,-0.2 7,-0.1 1,-0.2 -4,-0.1 0.542 115.2 25.4 -56.0 -8.9 36.2 -4.8 61.0 66 64 A T S S+ 0 0 104 5,-0.0 -1,-0.2 6,-0.0 6,-0.0 0.726 88.4 124.9-120.4 -50.8 39.0 -2.6 62.4 67 65 A D - 0 0 62 1,-0.1 -4,-0.0 4,-0.1 3,-0.0 0.399 52.9-139.8 -25.6 138.2 42.4 -3.5 60.7 68 66 A P S > S+ 0 0 109 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.930 87.5 75.7 -61.4 -49.6 44.6 -1.0 58.8 69 67 A A T 3 S+ 0 0 83 1,-0.3 2,-0.5 2,-0.0 -6,-0.1 0.785 116.3 7.9 -36.7 -68.5 45.7 -3.3 55.9 70 68 A F T 3 S+ 0 0 75 -6,-0.1 2,-0.4 3,-0.0 -1,-0.3 -0.864 93.6 174.0-118.0 93.5 42.4 -3.2 53.8 71 69 A K < - 0 0 146 -3,-0.6 -6,-0.1 -2,-0.5 -4,-0.1 -0.847 52.3 -21.2-116.3 136.8 40.2 -0.6 55.5 72 70 A G S S+ 0 0 67 -2,-0.4 -1,-0.2 1,-0.1 2,-0.1 0.707 90.8 150.3 44.6 33.8 36.9 1.1 54.8 73 71 A A - 0 0 19 -3,-0.1 -35,-0.4 1,-0.1 2,-0.2 -0.258 52.7 -88.5 -89.5 172.8 37.1 0.1 51.1 74 72 A D >> - 0 0 58 -37,-0.2 3,-1.5 1,-0.1 4,-1.2 -0.622 38.8-115.3 -83.5 147.5 34.5 -0.6 48.4 75 73 A S H 3> S+ 0 0 1 1,-0.3 4,-2.3 -2,-0.2 5,-0.1 0.628 109.5 66.8 -62.4 -19.0 33.4 -4.3 48.2 76 74 A R H 3> S+ 0 0 44 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.849 101.9 48.7 -69.0 -36.3 34.8 -4.8 44.6 77 75 A E H <> S+ 0 0 77 -3,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.935 111.7 48.6 -64.7 -49.4 38.3 -4.4 46.0 78 76 A L H X S+ 0 0 17 -4,-1.2 4,-2.6 1,-0.2 -2,-0.2 0.896 112.3 50.0 -56.4 -42.8 37.6 -6.9 48.8 79 77 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.937 112.6 45.2 -61.2 -49.5 36.1 -9.3 46.2 80 78 A R H X S+ 0 0 96 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.868 113.8 50.6 -62.6 -39.3 39.2 -9.0 43.9 81 79 A E H X S+ 0 0 21 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.930 110.0 48.1 -65.9 -48.4 41.5 -9.4 46.8 82 80 A A H X S+ 0 0 1 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.870 111.1 52.3 -58.6 -37.7 39.7 -12.5 48.1 83 81 A W H X S+ 0 0 12 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.838 104.4 55.8 -68.9 -34.1 39.8 -13.9 44.6 84 82 A R H X S+ 0 0 133 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.957 112.0 43.6 -58.0 -50.9 43.6 -13.2 44.5 85 83 A R H X S+ 0 0 88 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.876 111.1 53.3 -60.0 -44.5 43.9 -15.4 47.6 86 84 A I H <>S+ 0 0 0 -4,-2.5 5,-1.4 1,-0.2 -1,-0.2 0.838 112.4 45.8 -64.7 -32.2 41.5 -18.1 46.4 87 85 A Q H ><5S+ 0 0 92 -4,-1.9 3,-2.3 3,-0.2 -2,-0.2 0.852 103.4 62.1 -77.4 -36.9 43.7 -18.3 43.2 88 86 A A H 3<5S+ 0 0 81 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.842 100.3 55.4 -55.3 -35.9 46.9 -18.4 45.2 89 87 A K T 3<5S- 0 0 147 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.397 130.0-100.5 -78.5 2.8 45.6 -21.6 46.8 90 88 A G T < 5S+ 0 0 44 -3,-2.3 2,-0.4 1,-0.3 -3,-0.2 0.766 73.9 140.0 89.1 29.6 45.3 -22.9 43.2 91 89 A Y < - 0 0 30 -5,-1.4 2,-0.3 67,-0.2 -1,-0.3 -0.832 30.7-165.8-105.7 142.5 41.6 -22.6 42.5 92 90 A T E -B 157 0A 77 65,-3.2 65,-2.7 -2,-0.4 2,-0.4 -0.841 36.8 -90.7-113.5 162.3 39.8 -21.5 39.3 93 91 A L E +B 156 0A 23 -2,-0.3 63,-0.2 63,-0.2 3,-0.1 -0.564 33.1 177.7 -78.4 126.3 36.1 -20.4 39.0 94 92 A G E - 0 0 17 61,-2.6 2,-0.3 -2,-0.4 62,-0.2 0.921 64.5 -64.0 -77.9 -72.5 33.5 -23.1 38.2 95 93 A N E -B 155 0A 71 60,-1.1 60,-2.3 2,-0.0 2,-0.4 -0.952 41.5-134.6-170.3 162.9 30.6 -20.6 38.5 96 94 A V E -Bc 154 129A 0 32,-3.1 34,-2.0 -2,-0.3 2,-0.4 -0.962 8.8-166.7-127.4 146.4 28.6 -18.4 40.8 97 95 A D E -Bc 153 130A 44 56,-2.3 56,-2.5 -2,-0.4 2,-0.4 -1.000 10.3-166.4-131.6 130.1 24.9 -17.8 41.4 98 96 A V E -Bc 152 131A 1 32,-2.4 34,-2.2 -2,-0.4 2,-0.5 -0.931 8.1-164.4-122.4 141.1 23.6 -14.9 43.4 99 97 A T E -Bc 151 132A 40 52,-3.9 52,-2.5 -2,-0.4 2,-0.4 -0.910 7.1-159.8-128.5 104.8 20.1 -14.3 44.9 100 98 A I E -Bc 150 133A 0 32,-3.1 34,-1.7 -2,-0.5 2,-0.6 -0.671 4.6-158.9 -82.0 131.9 19.2 -10.8 46.0 101 99 A I E +Bc 149 134A 27 48,-3.4 48,-2.7 -2,-0.4 2,-0.3 -0.932 35.1 132.4-115.3 106.5 16.3 -10.6 48.5 102 100 A A - 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