==== 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 26-MAR-02 1GX1 . COMPND 2 MOLECULE: 2-C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR L.E.KEMP,C.S.BOND,W.N.HUNTER . 471 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17597.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 302 64.1 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 . 90 19.1 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 . 14 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 112 23.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 6 0 0 0 0 0 0 2 1 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 3 3 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 . 6 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 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 0 108 0, 0.0 156,-3.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 130.9 11.7 41.9 60.7 2 1 A X E -A 156 0A 34 154,-0.2 2,-0.4 155,-0.1 154,-0.2 -0.961 360.0-168.4-116.1 147.9 10.8 38.9 62.9 3 2 A R E -A 155 0A 2 152,-2.4 152,-2.5 -2,-0.4 2,-0.3 -0.990 8.5-144.5-139.2 142.5 11.0 35.4 61.5 4 3 A I E +A 154 0A 0 -2,-0.4 2,-0.3 150,-0.2 150,-0.2 -0.745 15.2 179.0-110.6 154.2 9.8 31.9 62.7 5 4 A G E -A 153 0A 0 148,-1.7 148,-1.9 -2,-0.3 2,-0.3 -0.980 8.6-161.1-147.5 159.8 11.3 28.5 62.5 6 5 A H E -A 152 0A 0 -2,-0.3 2,-0.3 41,-0.3 146,-0.2 -0.984 6.6-173.5-142.2 148.4 10.5 25.0 63.5 7 6 A G E -A 151 0A 0 144,-2.5 144,-2.1 -2,-0.3 2,-0.3 -0.981 4.4-173.5-143.1 155.0 12.5 21.8 64.0 8 7 A F E +A 150 0A 19 -2,-0.3 2,-0.3 142,-0.2 142,-0.2 -0.992 10.1 170.2-147.4 138.4 11.8 18.2 64.7 9 8 A D E -A 149 0A 8 140,-2.3 140,-2.2 -2,-0.3 2,-0.3 -0.991 12.5-167.2-148.5 159.9 14.1 15.3 65.4 10 9 A V E -A 148 0A 0 282,-0.4 2,-0.3 -2,-0.3 138,-0.2 -0.996 3.9-177.5-142.7 139.9 14.1 11.7 66.6 11 10 A H E -A 147 0A 12 136,-2.1 136,-2.4 -2,-0.3 2,-0.3 -0.989 23.8-125.0-136.7 148.2 16.9 9.3 67.7 12 11 A A E -A 146 0A 13 21,-0.4 21,-3.3 -2,-0.3 134,-0.3 -0.640 24.2-112.2 -90.4 147.9 16.6 5.7 68.7 13 12 A F E +D 32 0B 22 132,-2.4 19,-0.3 19,-0.3 2,-0.2 -0.488 55.4 130.1 -73.2 147.3 17.8 4.2 72.0 14 13 A G E +D 31 0B 19 17,-2.2 17,-0.6 -2,-0.2 16,-0.0 -0.840 43.7 25.8 174.6 158.8 20.8 1.7 71.8 15 14 A G S S- 0 0 65 -2,-0.2 16,-0.7 15,-0.2 2,-0.3 -0.202 97.7 -36.3 70.7-164.5 24.2 1.1 73.4 16 15 A E S S- 0 0 168 14,-0.3 14,-0.2 1,-0.1 16,-0.2 -0.671 74.0 -87.9 -97.7 154.2 25.1 2.2 76.9 17 16 A G S S+ 0 0 22 11,-0.5 14,-0.2 -2,-0.3 2,-0.2 -0.121 72.9 92.4 -71.8 179.4 24.0 5.4 78.7 18 17 A P - 0 0 49 0, 0.0 14,-0.4 0, 0.0 2,-0.3 0.524 56.3-147.9 -78.4 174.9 24.2 8.1 79.4 19 18 A I E -E 26 0C 1 7,-2.7 7,-3.1 12,-0.2 2,-0.5 -0.750 9.7-135.7 -98.5 159.1 22.1 9.9 76.9 20 19 A I E +E 25 0C 30 17,-0.4 2,-0.4 -2,-0.3 20,-0.3 -0.967 30.2 167.6-118.7 117.3 23.0 13.5 75.9 21 20 A I E > S-E 24 0C 0 3,-2.3 3,-2.2 -2,-0.5 18,-0.1 -0.994 70.2 -8.6-135.5 123.9 20.1 15.9 75.7 22 21 A G T 3 S- 0 0 0 -2,-0.4 94,-0.2 1,-0.3 95,-0.2 0.845 129.5 -59.0 63.2 29.2 20.3 19.7 75.4 23 22 A G T 3 S+ 0 0 19 1,-0.2 2,-0.4 93,-0.1 -1,-0.3 0.420 113.2 118.3 78.9 0.6 24.0 19.2 76.0 24 23 A V E < -E 21 0C 14 -3,-2.2 -3,-2.3 85,-0.0 2,-0.6 -0.833 64.0-128.8-106.0 131.8 23.4 17.5 79.4 25 24 A R E -E 20 0C 169 -2,-0.4 -5,-0.2 -5,-0.2 -8,-0.0 -0.681 28.0-169.9 -76.3 121.6 24.5 13.9 80.3 26 25 A I E -E 19 0C 2 -7,-3.1 -7,-2.7 -2,-0.6 80,-0.0 -0.950 22.7-120.1-116.7 122.6 21.5 12.0 81.7 27 26 A P + 0 0 97 0, 0.0 2,-0.3 0, 0.0 4,-0.0 -0.266 48.1 147.7 -58.6 137.3 21.9 8.6 83.3 28 27 A Y - 0 0 55 76,-0.1 -11,-0.5 1,-0.0 -2,-0.0 -0.956 58.4-111.7-167.1 153.1 19.9 5.9 81.7 29 28 A E S S+ 0 0 149 -2,-0.3 2,-0.3 -13,-0.1 -12,-0.2 0.665 103.2 34.5 -66.0 -17.1 20.1 2.2 80.9 30 29 A K S S- 0 0 98 -14,-0.2 -14,-0.3 -16,-0.0 -15,-0.2 -0.930 73.6-140.0-132.4 159.4 20.5 2.9 77.2 31 30 A G E -D 14 0B 3 -16,-0.7 -17,-2.2 -17,-0.6 2,-0.5 -0.294 32.8 -96.1 -98.9-172.5 22.2 5.5 75.1 32 31 A L E -D 13 0B 19 -14,-0.4 2,-0.3 -19,-0.3 -19,-0.3 -0.967 36.0-128.2-110.5 125.2 21.0 7.2 71.9 33 32 A L + 0 0 98 -21,-3.3 -21,-0.4 -2,-0.5 2,-0.3 -0.542 48.0 129.9 -74.2 135.6 22.2 5.7 68.6 34 33 A A S S- 0 0 44 -2,-0.3 -23,-0.0 2,-0.2 -2,-0.0 -0.949 70.0-118.8-175.5 158.9 23.7 8.1 66.1 35 34 A H S S+ 0 0 183 -2,-0.3 36,-0.3 2,-0.0 -1,-0.1 0.707 113.8 41.0 -69.9 -21.2 26.6 8.9 63.9 36 35 A S S S- 0 0 45 -3,-0.1 -2,-0.2 34,-0.1 37,-0.1 -0.173 119.0 -77.4-107.0-162.7 26.6 11.9 66.3 37 36 A D - 0 0 41 35,-0.3 -17,-0.4 -2,-0.1 -5,-0.2 0.597 63.9-129.0 -77.8 -6.7 26.1 12.3 70.0 38 37 A G + 0 0 0 1,-0.2 2,-1.4 -19,-0.1 3,-0.1 0.765 43.3 170.0 69.3 28.9 22.4 11.9 69.1 39 38 A D > - 0 0 0 1,-0.2 4,-2.4 -18,-0.1 -1,-0.2 -0.545 9.4-177.6 -78.4 93.3 21.3 15.1 71.0 40 39 A V H > S+ 0 0 0 -2,-1.4 4,-2.3 -20,-0.3 5,-0.2 0.828 76.9 55.3 -64.7 -34.9 17.8 15.3 69.7 41 40 A A H > S+ 0 0 4 2,-0.2 4,-2.4 -21,-0.2 -1,-0.2 0.937 110.8 43.4 -65.0 -48.9 17.0 18.5 71.5 42 41 A L H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.889 112.9 52.8 -66.0 -36.4 20.0 20.4 70.0 43 42 A H H X S+ 0 0 15 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.939 110.8 46.3 -59.2 -48.5 19.3 19.0 66.5 44 43 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 107,-0.2 0.930 115.0 47.5 -62.7 -44.3 15.7 20.1 66.6 45 44 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.903 110.2 51.4 -62.4 -42.4 16.7 23.5 67.9 46 45 A T H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.949 110.9 49.7 -60.8 -42.5 19.5 23.9 65.3 47 46 A D H X S+ 0 0 4 -4,-2.8 4,-2.6 1,-0.2 -41,-0.3 0.886 108.8 51.6 -63.9 -38.5 16.9 23.1 62.7 48 47 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 105,-0.2 0.900 113.3 45.6 -63.9 -40.0 14.4 25.7 64.0 49 48 A L H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.949 114.9 45.2 -70.7 -47.1 17.1 28.4 64.0 50 49 A L H <>S+ 0 0 0 -4,-2.9 5,-2.6 -5,-0.2 6,-0.5 0.908 112.7 54.6 -60.2 -37.2 18.3 27.5 60.5 51 50 A G H ><5S+ 0 0 0 -4,-2.6 3,-1.3 -5,-0.3 -1,-0.2 0.908 105.4 49.9 -63.1 -43.7 14.7 27.3 59.4 52 51 A A H 3<5S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.822 113.6 47.4 -62.4 -30.6 13.9 30.8 60.6 53 52 A A T 3<5S- 0 0 0 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.388 110.7-123.2 -92.9 5.1 16.9 32.0 58.8 54 53 A A T < 5S+ 0 0 8 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.858 72.4 130.2 51.9 41.3 16.0 30.1 55.6 55 54 A L < - 0 0 42 -5,-2.6 2,-0.6 1,-0.2 -4,-0.2 0.261 66.5-122.6-103.3 6.5 19.4 28.3 55.6 56 55 A G - 0 0 9 -6,-0.5 2,-0.3 -5,-0.1 -1,-0.2 -0.787 46.3 -48.8 100.5-116.9 17.9 24.8 55.2 57 56 A D >> - 0 0 10 -2,-0.6 4,-1.9 -7,-0.1 3,-0.7 -0.945 52.2 -91.0-155.0 169.7 18.6 22.1 57.8 58 57 A I H 3> S+ 0 0 29 -2,-0.3 4,-3.5 1,-0.2 -1,-0.0 0.828 123.2 56.3 -58.1 -31.0 21.5 20.5 59.7 59 58 A G H 34 S+ 0 0 19 231,-0.2 -1,-0.2 2,-0.2 232,-0.0 0.831 106.0 49.4 -71.6 -31.2 21.9 17.9 57.0 60 59 A K H <4 S+ 0 0 125 -3,-0.7 -2,-0.2 2,-0.2 -1,-0.2 0.934 121.7 34.1 -71.7 -41.1 22.3 20.6 54.3 61 60 A L H < S+ 0 0 19 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.877 132.2 27.9 -79.3 -40.8 25.0 22.3 56.4 62 61 A F S < S- 0 0 14 -4,-3.5 -1,-0.2 -5,-0.2 -2,-0.2 -0.490 79.0-164.6-125.4 64.9 26.6 19.3 58.1 63 62 A P > - 0 0 40 0, 0.0 3,-1.3 0, 0.0 6,-0.3 -0.190 26.6-130.8 -54.7 135.3 26.2 16.3 55.8 64 63 A D T 3 S+ 0 0 128 1,-0.3 -5,-0.0 3,-0.0 -2,-0.0 0.644 109.1 62.8 -60.6 -13.5 26.9 13.0 57.6 65 64 A T T 3 S+ 0 0 129 5,-0.0 -1,-0.3 3,-0.0 5,-0.1 0.805 81.0 88.8 -78.9 -40.5 29.0 12.4 54.5 66 65 A D X - 0 0 62 -3,-1.3 3,-1.3 1,-0.1 4,-0.1 -0.523 64.2-150.8 -76.0 124.0 31.5 15.3 54.9 67 66 A P G > S+ 0 0 106 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.727 87.4 77.9 -64.4 -22.5 34.6 14.5 57.0 68 67 A A G 3 S+ 0 0 77 1,-0.3 -2,-0.0 3,-0.0 -6,-0.0 0.826 100.4 41.4 -57.2 -30.0 35.0 18.1 58.2 69 68 A F G X S+ 0 0 56 -3,-1.3 3,-2.0 -6,-0.3 -1,-0.3 0.296 81.0 135.4-102.2 9.9 32.2 17.4 60.7 70 69 A K T < S+ 0 0 190 -3,-1.8 3,-0.1 1,-0.3 -34,-0.1 -0.398 81.7 3.0 -63.0 132.1 33.3 14.0 61.8 71 70 A G T 3 S+ 0 0 76 -36,-0.3 -1,-0.3 1,-0.2 2,-0.1 0.440 89.4 149.0 73.8 1.1 33.1 13.8 65.6 72 71 A A < - 0 0 24 -3,-2.0 -35,-0.3 1,-0.1 -1,-0.2 -0.406 43.5-129.7 -62.2 139.6 31.6 17.3 66.0 73 72 A D > - 0 0 62 -37,-0.1 4,-2.1 -3,-0.1 3,-0.2 -0.516 21.6-106.2 -90.4 167.3 29.4 17.5 69.0 74 73 A S H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.851 119.3 54.1 -65.0 -30.2 25.9 18.9 68.9 75 74 A R H > S+ 0 0 52 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.901 107.4 51.4 -68.6 -36.0 26.9 22.1 70.8 76 75 A E H > S+ 0 0 88 -3,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.909 111.9 47.1 -63.0 -40.0 29.6 22.7 68.3 77 76 A L H X S+ 0 0 24 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.916 111.2 50.6 -67.4 -41.7 27.1 22.3 65.5 78 77 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.939 112.1 48.6 -60.6 -43.3 24.6 24.6 67.2 79 78 A R H X S+ 0 0 101 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.914 112.0 47.3 -67.2 -36.9 27.3 27.3 67.6 80 79 A E H X S+ 0 0 50 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.910 111.6 50.0 -70.7 -41.6 28.5 27.1 64.1 81 80 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.942 111.6 50.3 -56.4 -44.7 24.9 27.3 62.7 82 81 A W H X S+ 0 0 11 -4,-2.6 4,-2.7 -5,-0.2 5,-0.2 0.892 105.9 55.1 -64.2 -40.3 24.4 30.3 65.0 83 82 A R H X S+ 0 0 129 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.945 110.4 46.5 -55.2 -46.8 27.6 31.9 63.7 84 83 A R H X S+ 0 0 84 -4,-2.4 4,-0.8 1,-0.2 -2,-0.2 0.886 111.6 51.1 -64.3 -39.2 26.2 31.5 60.1 85 84 A I H ><>S+ 0 0 0 -4,-2.3 5,-1.5 2,-0.2 3,-0.5 0.904 109.6 48.6 -64.9 -43.3 22.8 32.9 61.1 86 85 A Q H ><5S+ 0 0 96 -4,-2.7 3,-2.6 1,-0.2 -2,-0.2 0.906 104.5 60.2 -66.7 -35.2 24.2 36.0 62.8 87 86 A A H 3<5S+ 0 0 82 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.777 99.4 58.6 -63.0 -22.1 26.4 36.6 59.7 88 87 A K T <<5S- 0 0 72 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.433 128.5 -99.9 -85.5 1.7 23.1 36.8 57.8 89 88 A G T < 5S+ 0 0 46 -3,-2.6 2,-0.2 1,-0.3 -3,-0.2 0.437 77.3 134.2 99.1 4.8 22.1 39.8 60.1 90 89 A Y < - 0 0 3 -5,-1.5 2,-0.3 65,-0.0 -1,-0.3 -0.521 32.5-169.0 -90.2 148.6 19.8 38.0 62.6 91 90 A T E -B 156 0A 75 65,-2.8 65,-2.8 -2,-0.2 2,-0.3 -0.866 35.8 -88.1-124.8 168.0 19.7 38.2 66.4 92 91 A L E +B 155 0A 23 -2,-0.3 63,-0.2 63,-0.2 3,-0.1 -0.549 34.5 174.4 -82.2 137.8 17.8 36.0 68.8 93 92 A G E - 0 0 11 61,-2.7 2,-0.3 1,-0.3 62,-0.2 0.781 63.6 -58.2 -95.0 -76.4 14.2 36.6 69.8 94 93 A N E -B 154 0A 0 60,-0.9 60,-2.4 29,-0.0 2,-0.3 -0.973 44.4-144.7-158.8 167.0 13.5 33.5 71.9 95 94 A V E -Bc 153 128A 0 32,-2.3 34,-1.8 -2,-0.3 2,-0.3 -0.958 6.1-166.2-136.7 155.0 13.4 29.7 71.5 96 95 A D E -Bc 152 129A 0 56,-2.2 56,-2.2 -2,-0.3 2,-0.4 -0.991 8.0-168.5-143.0 132.6 11.2 27.0 73.0 97 96 A V E -Bc 151 130A 2 32,-1.7 34,-2.4 -2,-0.3 2,-0.5 -0.954 7.6-161.0-129.1 140.4 11.9 23.2 72.9 98 97 A T E -Bc 150 131A 1 52,-3.2 52,-2.2 -2,-0.4 2,-0.4 -0.965 7.2-157.3-125.6 112.9 9.7 20.3 73.8 99 98 A I E -Bc 149 132A 0 32,-3.0 34,-2.1 -2,-0.5 2,-0.6 -0.754 5.8-156.4 -88.2 132.8 11.4 16.9 74.5 100 99 A I E +Bc 148 133A 7 48,-3.4 48,-2.6 -2,-0.4 2,-0.3 -0.928 35.3 134.9-117.2 106.7 9.1 13.9 74.0 101 100 A A - 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