==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 22-SEP-08 3ELC . COMPND 2 MOLECULE: 2-C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K-12; . AUTHOR W.N.HUNTER,N.L.RAMSDEN,V.ULAGANATHAN . 471 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18305.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 307 65.2 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 . 92 19.5 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 . 23 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 23.6 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 4 2 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 . 5 0 2 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 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 0 128 0, 0.0 156,-3.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 167.5 10.4 5.2 16.1 2 1 A M E -A 156 0A 16 154,-0.2 2,-0.4 155,-0.1 154,-0.2 -0.718 360.0-146.9-132.6 162.3 14.0 5.4 17.4 3 2 A R E -A 155 0A 0 152,-2.0 152,-2.6 -2,-0.2 2,-0.3 -0.987 15.0-144.4-135.9 125.8 17.7 5.8 16.7 4 3 A I E -A 154 0A 0 -2,-0.4 2,-0.3 150,-0.2 150,-0.2 -0.644 17.6-175.8 -87.3 143.1 20.8 4.4 18.4 5 4 A G E -A 153 0A 0 148,-2.6 148,-1.9 -2,-0.3 2,-0.3 -0.967 8.4-161.5-134.4 162.0 24.1 6.2 18.9 6 5 A H E -A 152 0A 0 -2,-0.3 2,-0.3 41,-0.3 146,-0.2 -0.995 6.4-177.4-140.6 142.8 27.5 5.4 20.3 7 6 A G E -A 151 0A 0 144,-2.4 144,-3.2 -2,-0.3 2,-0.4 -1.000 4.3-173.1-143.8 139.9 30.4 7.5 21.5 8 7 A F E +A 150 0A 22 -2,-0.3 2,-0.3 142,-0.2 142,-0.2 -0.999 9.9 175.6-134.7 130.2 33.9 6.8 22.8 9 8 A D E -A 149 0A 11 140,-2.7 140,-1.9 -2,-0.4 2,-0.3 -0.983 7.9-175.7-137.6 151.1 36.4 9.2 24.3 10 9 A V E +A 148 0A 0 282,-0.3 2,-0.3 -2,-0.3 138,-0.2 -0.989 2.1 179.7-142.6 131.1 39.9 9.1 25.9 11 10 A H E -A 147 0A 8 136,-2.0 136,-2.3 -2,-0.3 2,-0.3 -0.962 20.9-129.6-129.0 156.7 42.1 11.8 27.5 12 11 A A E -AB 146 33A 13 21,-0.6 21,-3.6 -2,-0.3 2,-0.3 -0.681 23.9-109.0 -99.4 151.3 45.6 11.6 29.1 13 12 A F E + B 0 32A 26 132,-1.7 2,-0.2 -2,-0.3 19,-0.2 -0.595 54.4 132.3 -77.2 140.7 46.8 12.9 32.4 14 13 A G + 0 0 18 17,-2.5 17,-0.5 -2,-0.3 16,-0.0 -0.840 48.5 14.0-175.8 150.0 49.2 15.8 32.4 15 14 A G S S- 0 0 60 -2,-0.2 16,-1.4 15,-0.2 -1,-0.2 -0.061 96.9 -35.3 77.0-174.7 49.4 19.1 34.3 16 15 A E S S- 0 0 187 14,-0.3 14,-0.2 1,-0.1 16,-0.1 -0.438 72.8-145.9 -81.2 158.3 47.5 20.2 37.3 17 16 A G + 0 0 32 11,-0.5 14,-0.2 12,-0.3 2,-0.2 -0.244 63.2 144.9 -95.9-170.3 43.9 19.3 38.1 18 17 A P - 0 0 47 0, 0.0 14,-0.3 0, 0.0 2,-0.3 0.479 53.1-138.2 -86.5-177.0 41.2 19.1 38.9 19 18 A I E -E 26 0B 2 7,-2.7 7,-3.6 -2,-0.2 2,-0.5 -0.691 6.4-137.0-100.5 158.2 39.6 17.1 36.2 20 19 A I E +E 25 0B 29 17,-0.4 2,-0.4 5,-0.3 21,-0.3 -0.970 28.2 170.7-116.6 114.6 36.2 17.9 34.7 21 20 A I E > S-E 24 0B 0 3,-2.6 3,-2.0 -2,-0.5 18,-0.1 -0.993 71.2 -7.3-129.1 130.8 34.0 14.9 34.2 22 21 A G T 3 S- 0 0 1 -2,-0.4 94,-0.2 1,-0.3 95,-0.2 0.855 132.6 -54.8 52.0 36.9 30.4 15.1 33.3 23 22 A G T 3 S+ 0 0 15 1,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.504 114.5 122.2 78.7 5.5 30.7 18.9 33.8 24 23 A V E < -E 21 0B 14 -3,-2.0 -3,-2.6 2,-0.0 2,-0.7 -0.885 61.6-136.1-114.2 123.5 32.0 18.4 37.3 25 24 A R E -E 20 0B 176 -2,-0.5 -5,-0.3 -5,-0.2 -8,-0.0 -0.649 26.6-173.2 -73.9 109.5 35.3 19.6 38.6 26 25 A I E -E 19 0B 2 -7,-3.6 -7,-2.7 -2,-0.7 2,-0.0 -0.927 25.2-122.0-109.1 120.5 36.8 16.7 40.6 27 26 A P + 0 0 99 0, 0.0 2,-0.3 0, 0.0 4,-0.0 -0.383 45.9 156.7 -64.4 138.8 40.0 17.4 42.5 28 27 A Y - 0 0 69 1,-0.1 -11,-0.5 76,-0.1 -2,-0.0 -0.967 53.6-106.5-159.0 156.5 42.8 15.1 41.5 29 28 A E S S+ 0 0 165 -2,-0.3 -12,-0.3 -13,-0.1 2,-0.3 0.773 103.8 19.6 -55.4 -38.3 46.6 15.0 41.5 30 29 A K S S- 0 0 107 -14,-0.2 -14,-0.3 -3,-0.0 2,-0.2 -0.795 77.3-132.7-127.0 168.3 46.9 15.7 37.7 31 30 A G - 0 0 2 -16,-1.4 -17,-2.5 -17,-0.5 2,-0.4 -0.558 31.4 -88.0-109.3-177.5 44.6 17.1 35.1 32 31 A L E -B 13 0A 26 -14,-0.3 2,-0.5 -19,-0.2 -19,-0.2 -0.785 32.5-130.0 -92.9 135.7 43.5 15.9 31.7 33 32 A L E +B 12 0A 106 -21,-3.6 -21,-0.6 -2,-0.4 2,-0.3 -0.759 50.0 134.1 -78.8 123.3 45.5 17.0 28.5 34 33 A A - 0 0 40 -2,-0.5 -23,-0.0 2,-0.2 5,-0.0 -0.947 66.0-131.7-167.7 150.9 43.2 18.4 25.8 35 34 A H S S+ 0 0 163 -2,-0.3 36,-0.3 3,-0.0 -1,-0.1 0.863 109.7 46.4 -62.0 -37.4 42.5 21.1 23.3 36 35 A S S S- 0 0 41 -3,-0.1 -2,-0.2 34,-0.1 37,-0.1 0.098 120.8 -80.7 -84.1-161.6 39.1 21.1 25.0 37 36 A D - 0 0 38 35,-0.2 -17,-0.4 2,-0.1 -5,-0.2 0.543 65.8-117.3 -79.6 -9.4 38.4 21.0 28.8 38 37 A G + 0 0 0 1,-0.2 2,-1.3 -19,-0.1 -5,-0.1 0.365 58.0 157.8 93.3 -3.0 39.1 17.3 28.5 39 38 A D > + 0 0 0 1,-0.2 4,-2.3 2,-0.1 -1,-0.2 -0.354 13.1 176.2 -62.6 91.4 35.7 16.1 29.5 40 39 A V H > S+ 0 0 0 -2,-1.3 4,-2.0 -20,-0.2 -1,-0.2 0.676 77.6 57.2 -68.6 -18.9 35.6 12.6 28.0 41 40 A A H > S+ 0 0 3 -21,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.895 111.2 39.3 -83.8 -41.7 32.2 12.0 29.5 42 41 A L H > S+ 0 0 1 2,-0.2 4,-2.6 3,-0.2 -2,-0.2 0.852 118.4 50.6 -74.7 -31.0 30.6 14.9 27.9 43 42 A H H X S+ 0 0 16 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.990 110.4 46.2 -67.7 -60.0 32.5 14.3 24.7 44 43 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 107,-0.2 0.866 116.0 48.3 -49.6 -39.1 31.6 10.6 24.4 45 44 A L H >X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 3,-0.5 0.981 109.6 51.2 -67.9 -51.1 28.0 11.5 25.2 46 45 A T H 3X S+ 0 0 2 -4,-2.6 4,-2.6 1,-0.3 5,-0.2 0.907 110.4 49.7 -50.3 -47.7 28.0 14.3 22.6 47 46 A D H 3X S+ 0 0 2 -4,-2.9 4,-2.2 1,-0.2 -41,-0.3 0.862 108.9 52.3 -60.1 -37.8 29.3 11.9 20.0 48 47 A A H S+ 0 0 0 -4,-2.6 5,-2.3 -5,-0.2 6,-0.5 0.821 111.5 54.5 -68.2 -32.2 25.3 13.1 17.1 51 50 A G H ><5S+ 0 0 0 -4,-2.2 3,-0.7 -5,-0.2 -1,-0.2 0.854 105.8 52.0 -70.1 -36.0 25.8 9.4 15.9 52 51 A A H 3<5S+ 0 0 0 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.869 112.7 46.4 -62.7 -36.0 22.2 8.7 16.7 53 52 A A T 3<5S- 0 0 5 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.461 108.6-124.4 -85.1 -1.6 21.3 11.7 14.6 54 53 A A T < 5S+ 0 0 12 -3,-0.7 -3,-0.2 -4,-0.3 -4,-0.1 0.678 73.7 132.7 56.3 21.2 23.6 10.7 11.8 55 54 A L < - 0 0 45 -5,-2.3 2,-0.6 -6,-0.2 -4,-0.2 0.294 66.8-122.3 -83.6 9.0 25.0 14.2 12.3 56 55 A G - 0 0 7 -6,-0.5 2,-0.2 -5,-0.1 -1,-0.2 -0.798 41.4 -68.5 98.4-120.1 28.6 12.9 12.4 57 56 A D > - 0 0 15 -2,-0.6 4,-1.3 -7,-0.1 3,-0.2 -0.821 51.3 -78.9-153.0-164.6 30.7 13.6 15.5 58 57 A I H > S+ 0 0 42 -2,-0.2 4,-2.8 1,-0.2 -1,-0.0 0.873 122.7 60.2 -75.0 -40.4 32.4 16.5 17.4 59 58 A G H 4 S+ 0 0 39 1,-0.2 -1,-0.2 231,-0.2 5,-0.1 0.733 109.4 46.9 -56.5 -22.0 35.4 16.8 15.1 60 59 A K H 4 S+ 0 0 118 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.828 117.1 37.4 -92.4 -41.3 32.8 17.5 12.3 61 60 A L H < S+ 0 0 21 -4,-1.3 -2,-0.2 1,-0.2 -3,-0.1 0.828 133.8 21.9 -78.3 -37.7 30.6 20.1 14.0 62 61 A F S < S- 0 0 20 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.1 -0.688 84.4-172.6-134.8 77.8 33.3 21.9 15.9 63 62 A P - 0 0 43 0, 0.0 6,-0.3 0, 0.0 3,-0.1 -0.247 37.3-120.6 -74.4 160.4 36.7 21.3 14.2 64 63 A D S S+ 0 0 129 1,-0.2 -5,-0.0 -5,-0.1 6,-0.0 0.706 112.8 68.4 -63.5 -23.0 40.1 22.3 15.5 65 64 A T S S+ 0 0 127 1,-0.1 -1,-0.2 2,-0.1 -3,-0.0 0.960 86.1 70.0 -56.4 -59.0 40.3 24.2 12.2 66 65 A D > - 0 0 65 1,-0.2 3,-1.0 -3,-0.1 -1,-0.1 -0.531 65.2-164.5 -69.5 106.8 37.6 26.7 13.1 67 66 A P G > S+ 0 0 103 0, 0.0 3,-1.5 0, 0.0 -1,-0.2 0.486 71.7 95.0 -71.6 3.1 39.0 29.0 15.8 68 67 A A G 3 S+ 0 0 74 1,-0.3 -2,-0.0 3,-0.0 -6,-0.0 0.774 86.8 42.9 -64.0 -32.7 35.3 30.1 16.5 69 68 A F G X S+ 0 0 66 -3,-1.0 3,-0.8 -6,-0.3 2,-0.4 -0.192 79.0 136.9-106.8 37.1 35.0 27.5 19.4 70 69 A K T < S+ 0 0 187 -3,-1.5 3,-0.1 1,-0.2 -34,-0.1 -0.730 78.6 17.4 -70.3 129.8 38.4 28.2 20.9 71 70 A G T 3 S+ 0 0 78 -2,-0.4 -1,-0.2 1,-0.3 2,-0.2 0.380 91.2 141.7 85.8 -4.0 37.7 28.2 24.7 72 71 A A < - 0 0 22 -3,-0.8 -1,-0.3 4,-0.0 2,-0.2 -0.502 43.3-139.9 -69.7 136.5 34.4 26.5 24.4 73 72 A D >> - 0 0 60 -2,-0.2 4,-2.1 -37,-0.1 3,-0.5 -0.604 24.4-102.4 -97.9 164.7 33.8 24.0 27.2 74 73 A S H 3> S+ 0 0 0 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.808 118.9 52.6 -60.5 -36.2 32.2 20.6 26.8 75 74 A R H 3> S+ 0 0 51 2,-0.2 4,-3.0 1,-0.2 -1,-0.3 0.891 108.9 50.5 -65.0 -40.7 28.7 21.6 28.2 76 75 A E H <> S+ 0 0 98 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.913 113.0 46.2 -62.9 -43.4 28.5 24.5 25.7 77 76 A L H X S+ 0 0 24 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.888 111.3 54.0 -64.6 -39.5 29.4 22.1 22.9 78 77 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.961 109.6 45.0 -61.0 -52.7 26.9 19.6 24.3 79 78 A R H X S+ 0 0 95 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.881 113.6 51.7 -63.8 -35.0 24.0 22.1 24.3 80 79 A E H X S+ 0 0 55 -4,-2.1 4,-2.2 -5,-0.2 5,-0.2 0.979 110.5 46.7 -61.5 -56.6 25.0 23.3 20.8 81 80 A A H X S+ 0 0 2 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.896 112.3 52.2 -45.3 -47.1 25.0 19.8 19.3 82 81 A W H X S+ 0 0 16 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.902 105.2 54.2 -63.3 -42.4 21.7 19.1 21.0 83 82 A R H X S+ 0 0 134 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.959 111.6 45.0 -53.1 -56.6 20.1 22.3 19.5 84 83 A R H X S+ 0 0 85 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.844 113.1 51.2 -55.8 -41.0 21.2 21.0 16.0 85 84 A I H <>S+ 0 0 0 -4,-2.4 5,-1.1 -5,-0.2 3,-0.4 0.894 111.7 46.1 -62.8 -43.2 19.9 17.5 16.8 86 85 A Q H ><5S+ 0 0 97 -4,-3.0 3,-1.8 1,-0.2 -2,-0.2 0.851 106.7 60.0 -68.2 -35.2 16.5 18.9 18.0 87 86 A A H 3<5S+ 0 0 75 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.719 97.4 58.8 -64.3 -28.2 16.4 21.1 14.8 88 87 A K T 3<5S- 0 0 144 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.198 130.4 -99.8 -85.4 10.8 16.5 17.9 12.8 89 88 A G T < 5S+ 0 0 55 -3,-1.8 2,-0.4 1,-0.2 -3,-0.2 0.779 77.1 136.3 82.1 32.2 13.3 17.0 14.6 90 89 A Y < - 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