==== 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 1IV2 . 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) . 33311.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 593 65.9 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 . 172 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 . 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 . 43 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 213 23.7 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 1 7 5 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 6 5 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 . 7 0 1 5 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 42 0, 0.0 148,-2.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 145.9 9.0 83.7 43.1 2 3 A I E -A 148 0A 1 146,-0.2 2,-0.3 48,-0.2 146,-0.2 -0.956 360.0-171.9-133.1 151.6 6.6 82.6 45.8 3 4 A G E -A 147 0A 0 144,-2.2 144,-2.7 -2,-0.3 2,-0.4 -0.993 6.4-159.5-144.0 149.0 3.0 83.1 46.4 4 5 A Y E +A 146 0A 0 -2,-0.3 2,-0.3 142,-0.2 142,-0.2 -0.989 16.6 172.3-127.0 133.6 0.7 82.3 49.4 5 6 A G E -A 145 0A 0 140,-2.7 140,-3.3 -2,-0.4 2,-0.3 -0.977 10.7-168.1-142.9 154.8 -3.1 82.0 49.2 6 7 A E E +A 144 0A 11 -2,-0.3 2,-0.3 138,-0.2 138,-0.2 -0.898 7.0 172.4-133.7 162.8 -6.0 80.9 51.4 7 8 A D E -A 143 0A 6 136,-2.0 136,-2.7 -2,-0.3 2,-0.3 -0.944 4.4-175.7-164.2 153.0 -9.7 80.1 51.0 8 9 A S E -A 142 0A 13 -2,-0.3 2,-0.3 134,-0.2 134,-0.2 -0.984 2.6-169.4-149.7 153.6 -12.5 78.7 53.1 9 10 A H E -A 141 0A 8 132,-2.0 132,-2.5 -2,-0.3 2,-0.2 -0.991 28.6-113.5-140.0 144.5 -16.1 77.8 52.6 10 11 A R E -AB 140 31A 86 21,-0.5 21,-2.8 -2,-0.3 2,-0.4 -0.531 33.9-135.3 -66.6 140.4 -19.0 76.9 54.9 11 12 A L E - B 0 30A 16 128,-4.2 2,-0.4 19,-0.2 19,-0.2 -0.883 21.7-173.3-103.6 133.5 -20.1 73.3 54.5 12 13 A E E > - B 0 29A 42 17,-2.9 17,-2.4 -2,-0.4 3,-1.2 -0.973 30.8-100.5-126.3 139.8 -23.7 72.3 54.3 13 14 A E E 3 S+ B 0 28A 131 -2,-0.4 15,-0.3 15,-0.3 0, 0.0 -0.262 102.0 16.4 -56.4 140.7 -25.4 68.9 54.3 14 15 A G T 3 S+ 0 0 72 13,-2.7 -1,-0.2 1,-0.2 14,-0.2 0.638 93.1 120.5 69.5 20.3 -26.5 67.5 50.9 15 16 A R S < S- 0 0 99 -3,-1.2 -1,-0.2 12,-0.2 11,-0.1 -0.869 71.3 -99.5-106.1 147.9 -24.4 69.9 48.7 16 17 A P - 0 0 71 0, 0.0 14,-0.8 0, 0.0 2,-0.6 -0.319 32.5-138.2 -64.4 146.5 -21.8 68.7 46.2 17 18 A L - 0 0 2 7,-0.5 7,-3.0 12,-0.3 2,-0.5 -0.934 18.2-171.1-107.8 120.7 -18.3 68.8 47.4 18 19 A Y E +E 23 0B 76 -2,-0.6 20,-0.4 17,-0.5 2,-0.3 -0.980 12.0 165.0-112.0 124.8 -15.7 70.0 44.9 19 20 A L E > -E 22 0B 0 3,-1.9 3,-2.1 -2,-0.5 18,-0.1 -0.992 67.9 -5.6-139.6 132.8 -11.9 69.8 45.8 20 21 A C T 3 S- 0 0 0 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.790 130.3 -55.6 58.2 30.0 -8.9 70.1 43.5 21 22 A G T 3 S+ 0 0 20 1,-0.3 2,-0.3 93,-0.0 -1,-0.3 0.396 116.2 109.4 84.0 -2.5 -11.3 70.2 40.5 22 23 A L E < S-E 19 0B 52 -3,-2.1 -3,-1.9 89,-0.0 2,-0.6 -0.766 71.7-119.0-107.8 153.5 -13.1 66.9 41.4 23 24 A L E -E 18 0B 109 -2,-0.3 -5,-0.2 -5,-0.2 -3,-0.0 -0.810 32.3-162.4 -80.4 119.6 -16.5 65.9 42.7 24 25 A I - 0 0 4 -7,-3.0 -7,-0.5 -2,-0.6 83,-0.0 -0.936 21.7-121.1-109.9 117.7 -15.9 64.2 46.0 25 26 A P + 0 0 92 0, 0.0 3,-0.0 0, 0.0 -7,-0.0 -0.349 54.2 149.2 -57.4 130.6 -18.8 62.0 47.4 26 27 A S - 0 0 34 -11,-0.1 -12,-0.1 75,-0.1 -9,-0.1 -0.977 61.2-124.9-162.2 148.2 -19.6 63.5 50.7 27 28 A P S S+ 0 0 63 0, 0.0 -13,-2.7 0, 0.0 2,-0.3 0.684 101.4 38.5 -69.7 -18.5 -22.5 64.1 53.1 28 29 A V E +B 13 0A 5 -15,-0.3 2,-0.3 -14,-0.2 -15,-0.3 -0.911 64.0 173.9-134.3 155.7 -21.6 67.9 53.0 29 30 A G E -B 12 0A 0 -17,-2.4 -17,-2.9 -2,-0.3 -12,-0.3 -0.957 42.1 -60.2-155.5 172.1 -20.5 70.4 50.4 30 31 A A E -B 11 0A 14 -14,-0.8 2,-0.7 5,-0.3 -19,-0.2 -0.298 31.4-150.3 -69.2 139.9 -19.8 74.1 50.0 31 32 A L E +B 10 0A 56 -21,-2.8 -21,-0.5 5,-0.1 2,-0.3 -0.949 55.1 106.2 -97.2 109.6 -22.5 76.6 50.6 32 33 A A S S- 0 0 31 -2,-0.7 -23,-0.0 2,-0.2 -2,-0.0 -0.994 80.0-104.9-174.0 170.3 -21.4 79.4 48.2 33 34 A H S S+ 0 0 183 -2,-0.3 36,-0.2 2,-0.0 -1,-0.1 0.799 108.2 49.9 -85.1 -23.4 -22.0 81.3 45.0 34 35 A S S S- 0 0 49 -3,-0.1 -2,-0.2 34,-0.1 37,-0.1 -0.142 112.7 -88.6 -86.7-166.3 -18.9 79.5 43.4 35 36 A D - 0 0 35 35,-0.3 -17,-0.5 2,-0.1 -5,-0.3 0.496 55.7-129.2 -80.3 -4.8 -18.3 75.8 43.4 36 37 A G + 0 0 1 1,-0.2 2,-1.7 -19,-0.1 3,-0.1 0.690 45.4 166.9 66.5 19.7 -16.6 76.4 46.7 37 38 A D > - 0 0 0 1,-0.2 4,-2.5 2,-0.1 -1,-0.2 -0.521 12.6-175.5 -69.0 87.8 -13.5 74.5 45.6 38 39 A A H > S+ 0 0 0 -2,-1.7 4,-2.5 -20,-0.4 5,-0.2 0.801 78.6 56.6 -55.2 -37.5 -11.2 75.8 48.5 39 40 A A H > S+ 0 0 0 1,-0.2 4,-2.1 -21,-0.2 -1,-0.2 0.935 111.5 40.7 -62.1 -49.5 -8.2 74.0 47.0 40 41 A M H > S+ 0 0 0 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.881 114.7 52.7 -66.8 -48.5 -8.5 75.7 43.6 41 42 A H H X S+ 0 0 7 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.951 111.1 45.6 -55.5 -47.4 -9.3 79.1 45.1 42 43 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.928 115.0 47.3 -58.5 -48.3 -6.3 79.0 47.4 43 44 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.889 111.5 51.9 -60.7 -40.4 -4.0 77.9 44.6 44 45 A T H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.959 111.2 45.9 -65.2 -46.8 -5.4 80.5 42.3 45 46 A D H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.879 110.2 54.9 -61.2 -37.3 -4.8 83.3 44.7 46 47 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.925 110.0 46.5 -62.9 -45.9 -1.3 82.0 45.5 47 48 A L H X S+ 0 0 0 -4,-2.4 4,-0.6 2,-0.2 3,-0.4 0.948 114.4 45.8 -57.4 -53.5 -0.4 82.2 41.8 48 49 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 3,-1.4 0.895 111.1 55.3 -56.4 -43.6 -1.9 85.7 41.3 49 50 A S H ><5S+ 0 0 0 -4,-2.8 3,-1.2 1,-0.3 -1,-0.2 0.852 95.7 65.2 -57.3 -37.9 -0.1 86.7 44.5 50 51 A A H 3<5S+ 0 0 0 -4,-1.8 -1,-0.3 -3,-0.4 -48,-0.2 0.725 114.0 32.2 -61.8 -24.2 3.3 85.6 43.2 51 52 A Y T <<5S- 0 0 16 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.271 110.6-114.8-115.1 10.5 3.0 88.3 40.5 52 53 A G T < 5 + 0 0 32 -3,-1.2 -3,-0.2 -4,-0.4 375,-0.1 0.778 69.9 141.1 71.3 22.0 1.1 90.9 42.5 53 54 A L < - 0 0 34 -5,-2.6 2,-0.4 1,-0.2 -4,-0.2 0.584 60.3-108.4 -83.7 -10.4 -1.9 90.5 40.1 54 55 A G - 0 0 7 -6,-0.3 2,-0.3 -9,-0.1 -1,-0.2 -0.957 40.8 -69.4 125.7-147.2 -4.7 90.7 42.6 55 56 A D >> - 0 0 5 -2,-0.4 4,-2.5 376,-0.1 3,-0.6 -0.875 45.9 -92.4-145.6 177.3 -7.0 88.1 43.9 56 57 A I H 3> S+ 0 0 21 -2,-0.3 4,-2.0 1,-0.3 375,-0.0 0.760 122.5 58.3 -69.4 -21.9 -9.8 86.0 42.6 57 58 A G H 34 S+ 0 0 47 375,-0.2 -1,-0.3 2,-0.2 376,-0.0 0.849 111.4 42.4 -72.1 -35.4 -12.4 88.5 43.7 58 59 A L H <4 S+ 0 0 88 -3,-0.6 -2,-0.2 2,-0.1 -1,-0.2 0.915 124.8 32.0 -74.2 -46.2 -10.7 91.2 41.6 59 60 A L H < S+ 0 0 42 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.744 129.4 29.7 -92.2 -21.6 -10.0 89.1 38.5 60 61 A F S < S+ 0 0 16 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.1 -0.322 74.5 160.0-131.6 53.1 -12.9 86.7 38.4 61 62 A P > - 0 0 38 0, 0.0 3,-1.6 0, 0.0 6,-0.3 -0.430 48.1-122.3 -78.6 156.0 -15.9 88.4 40.0 62 63 A D T 3 S+ 0 0 88 1,-0.3 6,-0.1 5,-0.1 -5,-0.0 0.502 107.8 72.6 -83.9 3.0 -19.3 87.0 39.2 63 64 A T T 3 S+ 0 0 114 1,-0.1 -1,-0.3 4,-0.0 3,-0.0 0.511 83.2 84.8 -79.8 -6.0 -20.5 90.4 37.9 64 65 A D S X> S- 0 0 32 -3,-1.6 3,-2.5 1,-0.1 4,-1.9 -0.859 77.4-147.8 -98.5 109.6 -18.2 89.6 35.0 65 66 A P T 34 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.673 94.0 64.7 -51.5 -20.0 -20.1 87.4 32.5 66 67 A R T 34 S+ 0 0 152 1,-0.1 -4,-0.1 3,-0.0 -6,-0.0 0.839 115.5 25.6 -69.8 -30.8 -16.9 85.6 31.5 67 68 A W T X4 S+ 0 0 28 -3,-2.5 3,-2.0 -6,-0.3 -5,-0.1 0.719 87.1 112.5-111.4 -23.5 -16.5 84.1 34.9 68 69 A R T 3< S+ 0 0 128 -4,-1.9 3,-0.1 1,-0.3 -34,-0.1 -0.314 93.1 4.1 -60.2 133.6 -19.9 83.8 36.6 69 70 A G T 3 S+ 0 0 79 1,-0.2 -1,-0.3 -36,-0.2 2,-0.2 0.380 96.5 134.6 76.6 -0.1 -21.0 80.2 37.0 70 71 A E < - 0 0 86 -3,-2.0 -35,-0.3 1,-0.1 -1,-0.2 -0.472 63.4-104.0 -77.3 146.6 -17.7 78.8 35.7 71 72 A R >> - 0 0 169 -2,-0.2 3,-1.6 1,-0.1 4,-0.7 -0.338 34.2-111.9 -65.6 155.7 -15.9 75.9 37.6 72 73 A S H 3> S+ 0 0 0 1,-0.3 4,-2.1 2,-0.2 3,-0.2 0.764 111.5 71.4 -68.2 -20.5 -12.9 77.1 39.5 73 74 A E H 3> S+ 0 0 29 1,-0.2 4,-3.0 2,-0.2 -1,-0.3 0.841 91.7 61.7 -58.4 -29.4 -10.4 75.3 37.3 74 75 A V H <> S+ 0 0 49 -3,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.947 105.3 45.2 -62.0 -44.8 -11.2 77.9 34.7 75 76 A F H X S+ 0 0 17 -4,-0.7 4,-2.6 2,-0.2 -2,-0.2 0.913 111.5 53.0 -65.3 -42.8 -9.9 80.6 37.0 76 77 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.940 109.3 47.8 -60.8 -48.0 -6.8 78.5 37.9 77 78 A R H X S+ 0 0 105 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.888 110.9 51.6 -62.7 -34.9 -5.9 78.1 34.3 78 79 A E H X S+ 0 0 37 -4,-2.0 4,-2.8 -5,-0.2 -1,-0.2 0.929 106.7 54.1 -67.3 -41.2 -6.4 81.8 33.6 79 80 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.917 111.0 46.0 -57.7 -40.5 -4.1 82.7 36.5 80 81 A M H X S+ 0 0 12 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.946 109.2 54.0 -72.3 -32.5 -1.4 80.4 35.0 81 82 A R H X S+ 0 0 133 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.899 111.5 48.0 -59.2 -43.4 -2.0 81.9 31.6 82 83 A L H X S+ 0 0 25 -4,-2.8 4,-0.7 2,-0.2 -1,-0.2 0.906 114.9 41.6 -65.1 -42.2 -1.4 85.3 33.2 83 84 A V H ><>S+ 0 0 4 -4,-2.4 5,-2.3 2,-0.2 3,-1.1 0.934 113.7 53.1 -73.0 -39.2 1.8 84.5 35.1 84 85 A E H ><5S+ 0 0 70 -4,-2.7 3,-2.2 1,-0.3 -2,-0.2 0.870 104.1 57.2 -57.4 -41.9 3.2 82.5 32.2 85 86 A A H 3<5S+ 0 0 72 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.754 104.6 52.2 -65.1 -22.9 2.7 85.5 30.0 86 87 A R T <<5S- 0 0 127 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.186 131.9 -94.7 -96.4 13.4 4.8 87.5 32.4 87 88 A G T < 5S+ 0 0 51 -3,-2.2 -3,-0.2 1,-0.3 -2,-0.2 0.256 74.4 147.0 98.8 -3.8 7.5 84.9 32.1 88 89 A A < - 0 0 0 -5,-2.3 2,-0.5 -6,-0.1 -1,-0.3 -0.245 32.1-161.4 -69.5 152.6 6.8 82.6 35.1 89 90 A K - 0 0 145 -6,-0.0 61,-3.2 0, 0.0 2,-0.1 -0.944 22.3-132.9-125.7 112.0 7.4 78.8 35.1 90 91 A L E +C 149 0A 29 -2,-0.5 59,-0.2 59,-0.2 3,-0.1 -0.404 31.2 169.6 -67.3 137.9 5.5 77.1 37.9 91 92 A L E + 0 0 60 57,-2.7 2,-0.3 1,-0.4 58,-0.2 0.719 54.6 3.2-114.8 -40.1 7.7 74.7 39.8 92 93 A Q E -C 148 0A 0 56,-1.8 56,-2.2 29,-0.1 -1,-0.4 -0.994 44.4-163.9-157.7 145.5 5.8 73.5 42.9 93 94 A A E +Cd 147 126A 0 32,-2.1 34,-3.2 -2,-0.3 2,-0.4 -0.986 11.8 178.5-132.0 126.1 2.5 73.7 44.8 94 95 A S E +Cd 146 127A 0 52,-2.5 52,-2.5 -2,-0.4 2,-0.3 -0.993 14.8 161.2-129.1 124.5 2.2 72.7 48.4 95 96 A L E -Cd 145 128A 0 32,-3.5 34,-1.9 -2,-0.4 2,-0.4 -0.964 29.2-142.5-145.0 162.3 -1.1 73.0 50.2 96 97 A V E -Cd 144 129A 0 48,-2.2 48,-1.6 -2,-0.3 2,-0.5 -0.986 9.8-157.0-124.2 128.1 -3.1 71.8 53.2 97 98 A L E -Cd 143 130A 0 32,-2.4 34,-2.6 -2,-0.4 2,-0.5 -0.968 8.8-163.0-107.8 129.9 -6.8 71.1 53.2 98 99 A T E +Cd 142 131A 9 44,-2.7 44,-2.6 -2,-0.5 2,-0.3 -0.948 30.8 128.6-114.4 115.9 -8.6 71.2 56.6 99 100 A L - 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