==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 11-MAR-02 1IV4 . COMPND 2 MOLECULE: 2-C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR H.KISHIDA,T.WADA,S.UNZAI,T.KUZUYAMA,T.TERADA,M.SIROUZU, . 900 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33711.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 594 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 168 18.7 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 0.7 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 . 50 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 102 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 210 23.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.0 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 0 11 2 5 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 . 0 1 10 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 11 0 5 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 2 A R 0 0 40 0, 0.0 148,-2.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 152.7 9.0 83.8 43.0 2 3 A I E -A 148 0A 1 146,-0.2 2,-0.3 48,-0.1 146,-0.2 -0.925 360.0-173.2-130.2 152.5 6.6 82.7 45.8 3 4 A G E -A 147 0A 0 144,-1.9 144,-2.5 -2,-0.3 2,-0.4 -0.996 7.1-158.9-145.0 149.2 3.0 83.3 46.4 4 5 A Y E +A 146 0A 0 -2,-0.3 2,-0.3 142,-0.2 142,-0.2 -0.990 16.7 171.6-128.4 133.5 0.7 82.5 49.3 5 6 A G E -A 145 0A 0 140,-2.5 140,-2.9 -2,-0.4 2,-0.3 -0.976 11.3-167.4-144.8 156.3 -3.1 82.1 49.2 6 7 A E E +A 144 0A 13 -2,-0.3 2,-0.3 138,-0.2 138,-0.2 -0.957 5.9 175.9-136.8 155.0 -6.0 81.1 51.3 7 8 A D E -A 143 0A 7 136,-2.2 136,-2.6 -2,-0.3 2,-0.3 -0.979 2.6-177.2-150.3 156.7 -9.7 80.3 50.9 8 9 A S E -A 142 0A 15 -2,-0.3 2,-0.3 134,-0.2 134,-0.2 -0.987 3.0-169.4-148.5 157.1 -12.6 79.0 53.1 9 10 A H E -A 141 0A 10 132,-2.4 132,-2.5 -2,-0.3 2,-0.2 -0.992 27.9-114.3-144.9 139.9 -16.2 78.1 52.6 10 11 A R E -A 140 0A 86 21,-0.4 21,-2.5 -2,-0.3 2,-0.4 -0.481 34.9-136.1 -63.2 141.9 -19.0 77.3 54.9 11 12 A L E -D 30 0B 14 128,-3.7 2,-0.4 19,-0.2 19,-0.2 -0.798 21.8-174.8-101.2 139.4 -20.2 73.7 54.6 12 13 A E E > -D 29 0B 71 17,-3.0 17,-2.2 -2,-0.4 3,-1.3 -0.991 32.4 -96.5-136.0 151.5 -23.8 72.7 54.4 13 14 A E E 3 S+D 28 0B 142 -2,-0.4 15,-0.3 1,-0.2 0, 0.0 -0.320 102.2 11.1 -60.3 136.2 -25.6 69.4 54.4 14 15 A G T 3 S+ 0 0 72 13,-2.7 -1,-0.2 1,-0.3 14,-0.2 0.550 90.9 119.8 75.9 13.7 -26.5 68.1 50.9 15 16 A R S < S- 0 0 103 -3,-1.3 -1,-0.3 12,-0.2 2,-0.1 -0.793 73.1 -99.1 -98.4 150.5 -24.6 70.5 48.7 16 17 A P - 0 0 74 0, 0.0 14,-0.8 0, 0.0 2,-0.6 -0.402 32.6-134.9 -68.5 145.1 -22.0 69.0 46.3 17 18 A L E -E 24 0C 2 7,-0.5 7,-3.3 12,-0.3 2,-0.5 -0.899 19.5-170.6-104.2 120.4 -18.4 69.2 47.5 18 19 A Y E +E 23 0C 80 -2,-0.6 20,-0.4 17,-0.5 2,-0.3 -0.939 11.6 166.0-110.2 128.6 -15.8 70.3 45.0 19 20 A L E > -E 22 0C 0 3,-2.6 3,-2.0 -2,-0.5 18,-0.1 -0.981 67.2 -8.7-143.4 131.9 -12.1 70.0 45.8 20 21 A C T 3 S- 0 0 0 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.800 130.2 -53.3 55.7 28.8 -9.1 70.3 43.5 21 22 A G T 3 S+ 0 0 21 1,-0.3 2,-0.3 93,-0.0 -1,-0.3 0.302 116.7 106.5 96.6 -9.5 -11.4 70.3 40.5 22 23 A L E < S-E 19 0C 50 -3,-2.0 -3,-2.6 89,-0.0 2,-0.4 -0.799 72.1-118.1-112.5 148.4 -13.2 67.1 41.4 23 24 A L E -E 18 0C 88 -2,-0.3 -5,-0.2 -5,-0.2 -1,-0.0 -0.644 32.4-158.6 -73.4 127.3 -16.7 66.2 42.8 24 25 A I E -E 17 0C 3 -7,-3.3 -7,-0.5 -2,-0.4 80,-0.0 -0.939 21.1-119.7-113.8 117.8 -16.1 64.5 46.2 25 26 A P + 0 0 86 0, 0.0 3,-0.0 0, 0.0 -2,-0.0 -0.298 56.3 149.4 -52.4 126.8 -18.9 62.2 47.6 26 27 A S - 0 0 36 -11,-0.1 -12,-0.1 1,-0.1 -9,-0.1 -0.987 62.1-128.1-163.9 146.7 -19.9 63.9 50.8 27 28 A P S S+ 0 0 59 0, 0.0 -13,-2.7 0, 0.0 2,-0.3 0.730 101.0 38.0 -69.9 -19.5 -22.7 64.6 53.3 28 29 A V E +D 13 0B 7 -15,-0.3 2,-0.3 -14,-0.2 -15,-0.2 -0.924 64.5 173.5-136.7 153.4 -21.7 68.3 53.1 29 30 A G E -D 12 0B 0 -17,-2.2 -17,-3.0 -2,-0.3 -12,-0.3 -0.940 42.7 -57.7-154.7 174.4 -20.6 70.8 50.4 30 31 A A E -D 11 0B 11 -14,-0.8 2,-0.9 5,-0.3 -19,-0.2 -0.372 31.9-147.6 -68.5 136.1 -19.9 74.4 49.9 31 32 A L + 0 0 60 -21,-2.5 -21,-0.4 -16,-0.1 2,-0.3 -0.894 56.2 122.1 -88.1 100.0 -22.5 77.0 50.5 32 33 A A S S- 0 0 36 -2,-0.9 -23,-0.0 2,-0.2 -2,-0.0 -0.991 76.9-122.3-159.5 166.4 -21.4 79.4 47.8 33 34 A H S S+ 0 0 179 -2,-0.3 36,-0.2 2,-0.0 2,-0.1 0.652 107.8 50.9 -82.8 -17.3 -22.2 81.4 44.7 34 35 A S S S- 0 0 48 -3,-0.1 -2,-0.2 34,-0.1 37,-0.1 -0.269 112.9 -90.2 -97.6-171.3 -19.2 79.5 43.2 35 36 A D - 0 0 32 35,-0.3 -17,-0.5 -2,-0.1 -5,-0.3 0.527 57.3-131.3 -77.3 -6.7 -18.5 75.8 43.3 36 37 A G + 0 0 0 1,-0.2 2,-1.3 -19,-0.1 3,-0.1 0.769 43.6 167.3 66.3 24.4 -16.8 76.6 46.5 37 38 A D > - 0 0 0 1,-0.2 4,-2.5 -18,-0.1 -1,-0.2 -0.602 13.4-175.0 -74.7 97.4 -13.6 74.8 45.6 38 39 A A H > S+ 0 0 0 -2,-1.3 4,-2.6 -20,-0.4 5,-0.2 0.801 80.2 54.5 -64.9 -33.1 -11.3 76.0 48.4 39 40 A A H > S+ 0 0 0 -21,-0.3 4,-2.2 1,-0.2 5,-0.2 0.954 110.9 44.8 -64.7 -50.0 -8.3 74.2 46.9 40 41 A M H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.917 115.2 48.6 -60.5 -48.0 -8.7 75.8 43.5 41 42 A H H X S+ 0 0 7 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.956 111.0 48.2 -63.6 -45.0 -9.3 79.3 45.0 42 43 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.927 113.7 47.6 -60.8 -42.9 -6.3 79.2 47.3 43 44 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.906 111.7 51.2 -64.7 -38.9 -4.0 78.1 44.5 44 45 A T H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.955 111.3 46.3 -65.2 -48.1 -5.4 80.8 42.2 45 46 A D H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.888 111.1 54.0 -60.4 -39.4 -4.9 83.5 44.7 46 47 A A H X S+ 0 0 0 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.923 109.9 46.5 -60.8 -43.5 -1.4 82.2 45.4 47 48 A L H < S+ 0 0 1 -4,-2.5 4,-0.4 2,-0.2 3,-0.2 0.940 115.3 45.7 -62.3 -46.4 -0.5 82.3 41.7 48 49 A L H ><>S+ 0 0 0 -4,-2.7 5,-2.6 1,-0.2 3,-1.6 0.910 110.4 54.4 -62.1 -41.9 -1.9 85.8 41.3 49 50 A S H ><5S+ 0 0 0 -4,-2.8 3,-1.3 1,-0.3 -1,-0.2 0.849 95.7 67.2 -60.3 -35.0 -0.2 86.9 44.5 50 51 A A T 3<5S+ 0 0 0 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.663 113.5 31.2 -63.6 -18.0 3.2 85.7 43.1 51 52 A Y T < 5S- 0 0 16 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.199 111.8-113.6-121.5 10.7 3.0 88.5 40.5 52 53 A G T < 5S+ 0 0 31 -3,-1.3 -3,-0.2 -4,-0.4 375,-0.1 0.811 70.4 140.8 69.4 27.2 1.0 91.1 42.5 53 54 A L < - 0 0 37 -5,-2.6 2,-0.4 1,-0.2 -4,-0.2 0.613 60.1-110.5 -87.8 -10.7 -1.9 90.7 40.2 54 55 A G - 0 0 6 -6,-0.3 2,-0.3 -9,-0.1 -1,-0.2 -0.944 40.6 -67.5 125.7-142.9 -4.7 90.9 42.8 55 56 A D >> - 0 0 6 -2,-0.4 4,-2.4 -3,-0.1 3,-0.6 -0.850 46.4 -90.6-144.8 176.9 -7.0 88.2 44.0 56 57 A I H 3> S+ 0 0 21 -2,-0.3 4,-2.5 1,-0.2 375,-0.0 0.804 121.7 57.4 -67.6 -27.5 -9.9 86.2 42.7 57 58 A G H 34 S+ 0 0 49 375,-0.2 -1,-0.2 2,-0.2 376,-0.0 0.801 112.3 42.5 -71.2 -27.3 -12.5 88.7 43.8 58 59 A L H <4 S+ 0 0 86 -3,-0.6 -2,-0.2 2,-0.1 -1,-0.2 0.926 126.0 30.4 -76.6 -49.4 -10.8 91.4 41.7 59 60 A L H < S+ 0 0 47 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.804 130.8 30.1 -86.2 -30.2 -10.1 89.3 38.6 60 61 A F S < S+ 0 0 17 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.1 -0.355 75.3 160.3-127.0 50.8 -13.0 86.8 38.6 61 62 A P > - 0 0 32 0, 0.0 3,-1.8 0, 0.0 6,-0.3 -0.432 48.7-124.1 -76.8 153.3 -16.0 88.6 40.2 62 63 A D T 3 S+ 0 0 82 1,-0.3 6,-0.1 5,-0.1 -5,-0.0 0.415 107.4 75.2 -79.9 7.7 -19.4 87.1 39.5 63 64 A T T 3 S+ 0 0 114 1,-0.0 -1,-0.3 4,-0.0 3,-0.0 0.605 82.0 81.0 -82.2 -14.2 -20.4 90.6 38.2 64 65 A D S X> S- 0 0 35 -3,-1.8 4,-2.1 1,-0.1 3,-1.9 -0.817 76.0-148.7 -95.9 115.8 -18.3 89.8 35.1 65 66 A P T 34 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.735 94.3 63.7 -57.4 -22.0 -20.3 87.6 32.7 66 67 A R T 34 S+ 0 0 159 1,-0.2 -4,-0.1 3,-0.0 -6,-0.0 0.748 116.5 27.2 -68.6 -29.5 -17.1 85.9 31.5 67 68 A W T X4 S+ 0 0 29 -3,-1.9 3,-1.9 -6,-0.3 -1,-0.2 0.611 88.7 113.6-112.6 -20.2 -16.5 84.4 34.9 68 69 A R T 3< S+ 0 0 137 -4,-2.1 3,-0.1 1,-0.3 -6,-0.1 -0.348 94.2 0.7 -59.0 131.6 -20.0 84.1 36.5 69 70 A G T 3 S+ 0 0 72 1,-0.2 -1,-0.3 -36,-0.2 2,-0.1 0.475 96.2 139.2 70.0 2.0 -20.9 80.5 37.0 70 71 A E < - 0 0 86 -3,-1.9 -35,-0.3 1,-0.1 -1,-0.2 -0.440 61.6 -99.4 -72.2 154.5 -17.6 79.1 35.6 71 72 A R >> - 0 0 170 1,-0.1 3,-1.5 -2,-0.1 4,-0.7 -0.390 33.2-114.9 -64.0 152.4 -15.9 76.2 37.2 72 73 A S H 3> S+ 0 0 0 1,-0.3 4,-2.0 2,-0.2 3,-0.5 0.767 112.4 67.5 -66.3 -21.6 -13.0 77.2 39.5 73 74 A E H 3> S+ 0 0 31 1,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.805 92.2 64.1 -65.1 -23.7 -10.4 75.5 37.2 74 75 A V H <> S+ 0 0 47 -3,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.923 104.4 44.2 -63.4 -42.7 -11.3 78.1 34.7 75 76 A F H X S+ 0 0 17 -4,-0.7 4,-2.6 -3,-0.5 5,-0.2 0.910 112.4 51.6 -69.1 -43.4 -9.9 80.8 37.0 76 77 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.953 109.7 49.8 -60.7 -43.8 -6.9 78.8 37.9 77 78 A R H X S+ 0 0 106 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.888 111.2 49.3 -63.4 -35.5 -6.1 78.3 34.2 78 79 A E H X S+ 0 0 39 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.891 109.4 51.5 -71.0 -36.1 -6.5 82.0 33.5 79 80 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.3 0.941 110.0 50.1 -62.6 -41.6 -4.2 82.8 36.5 80 81 A M H X S+ 0 0 14 -4,-2.6 4,-3.0 -5,-0.2 5,-0.3 0.952 109.5 51.4 -64.1 -41.7 -1.6 80.4 35.0 81 82 A R H X S+ 0 0 134 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.927 110.1 49.8 -58.3 -42.8 -2.0 82.1 31.6 82 83 A L H < S+ 0 0 26 -4,-2.4 4,-0.5 2,-0.2 -1,-0.2 0.893 113.7 42.2 -66.8 -44.1 -1.4 85.6 33.2 83 84 A V H ><>S+ 0 0 3 -4,-2.4 5,-2.2 1,-0.2 3,-1.1 0.923 112.4 54.8 -73.1 -36.6 1.7 84.7 35.1 84 85 A E H ><5S+ 0 0 74 -4,-3.0 3,-1.8 1,-0.3 -2,-0.2 0.880 103.7 55.5 -60.2 -37.6 3.1 82.7 32.2 85 86 A A T 3<5S+ 0 0 73 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.721 105.0 54.5 -67.3 -16.4 2.7 85.7 29.9 86 87 A R T < 5S- 0 0 133 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.345 131.8 -93.7 -98.2 6.5 4.9 87.6 32.5 87 88 A G T < 5S+ 0 0 49 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.357 73.8 150.4 103.0 -1.5 7.6 85.0 32.2 88 89 A A < - 0 0 7 -5,-2.2 2,-0.4 -6,-0.1 -1,-0.3 -0.241 30.3-165.5 -67.7 147.6 6.7 82.6 35.0 89 90 A K - 0 0 159 -2,-0.0 61,-3.1 -6,-0.0 2,-0.2 -0.944 23.3-135.1-127.0 110.2 7.4 78.9 35.1 90 91 A L E +B 149 0A 30 -2,-0.4 59,-0.2 59,-0.2 3,-0.1 -0.518 29.9 170.6 -67.7 133.3 5.5 77.2 37.8 91 92 A L E + 0 0 63 57,-2.9 2,-0.3 1,-0.4 58,-0.2 0.686 54.7 1.1-112.5 -35.0 7.6 74.8 39.7 92 93 A Q E -B 148 0A 0 56,-1.8 56,-2.4 29,-0.1 2,-0.4 -0.987 43.9-160.5-160.9 144.8 5.7 73.6 42.8 93 94 A A E +Bc 147 126A 0 32,-2.3 34,-3.6 -2,-0.3 2,-0.4 -0.996 12.1 178.7-131.0 129.1 2.4 73.8 44.7 94 95 A S E +Bc 146 127A 0 52,-2.8 52,-2.8 -2,-0.4 2,-0.3 -0.987 15.1 161.4-127.2 121.4 2.1 72.8 48.4 95 96 A L E -Bc 145 128A 0 32,-3.2 34,-1.8 -2,-0.4 2,-0.4 -0.966 28.9-142.0-143.5 160.6 -1.3 73.2 50.1 96 97 A V E -Bc 144 129A 0 48,-2.5 48,-1.8 -2,-0.3 2,-0.5 -0.978 10.5-155.8-122.1 129.7 -3.2 72.1 53.1 97 98 A L E -Bc 143 130A 0 32,-2.5 34,-2.6 -2,-0.4 2,-0.5 -0.937 8.3-162.3-106.5 129.2 -6.9 71.3 53.2 98 99 A T E +Bc 142 131A 9 44,-3.2 44,-2.4 -2,-0.5 2,-0.3 -0.955 31.3 127.1-113.8 118.7 -8.7 71.5 56.5 99 100 A L - 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