==== 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 1IV1 . 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) . 33178.0 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 . 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 . 52 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 98 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 211 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.9 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 9 6 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 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 39 0, 0.0 148,-2.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 148.1 9.6 83.9 42.5 2 3 A I E -A 148 0A 2 48,-0.2 2,-0.3 146,-0.2 146,-0.2 -0.964 360.0-170.8-134.1 154.9 7.3 82.8 45.3 3 4 A G E -A 147 0A 0 144,-1.8 144,-2.2 -2,-0.3 2,-0.4 -0.994 6.3-160.2-144.2 149.5 3.6 83.1 45.9 4 5 A Y E +A 146 0A 0 -2,-0.3 2,-0.3 41,-0.2 142,-0.2 -1.000 15.1 174.7-135.0 129.9 1.3 82.4 48.9 5 6 A G E -A 145 0A 0 140,-2.3 140,-3.4 -2,-0.4 2,-0.3 -0.956 7.9-172.6-137.0 150.5 -2.5 82.0 48.7 6 7 A E E +A 144 0A 6 -2,-0.3 2,-0.3 138,-0.2 138,-0.2 -0.988 5.5 173.0-141.8 147.3 -5.3 81.1 51.0 7 8 A D E -A 143 0A 9 136,-2.6 136,-2.5 -2,-0.3 2,-0.3 -0.976 5.1-175.0-158.4 147.9 -9.0 80.4 50.7 8 9 A S E -A 142 0A 17 -2,-0.3 2,-0.4 134,-0.2 134,-0.2 -0.997 3.1-169.1-144.4 142.5 -11.8 79.2 52.9 9 10 A H E -A 141 0A 8 132,-2.5 132,-2.4 -2,-0.3 23,-0.1 -0.995 26.3-117.8-136.9 133.4 -15.4 78.3 52.3 10 11 A R E -A 140 0A 83 21,-0.4 21,-2.5 -2,-0.4 2,-0.4 -0.384 34.4-138.1 -54.4 144.8 -18.3 77.6 54.6 11 12 A L E -D 30 0B 15 128,-2.7 2,-0.3 19,-0.3 19,-0.2 -0.906 17.5-169.4-112.5 134.4 -19.6 74.0 54.1 12 13 A E E > -D 29 0B 81 17,-3.8 17,-2.4 -2,-0.4 3,-1.2 -0.931 29.7-104.5-123.4 153.4 -23.3 73.0 54.0 13 14 A E E 3 S+D 28 0B 139 -2,-0.3 15,-0.3 1,-0.3 0, 0.0 -0.453 102.8 20.7 -76.7 143.5 -24.8 69.5 54.0 14 15 A G T 3 S+ 0 0 75 13,-2.0 -1,-0.3 1,-0.3 14,-0.2 0.529 92.8 119.2 72.9 7.4 -26.1 68.2 50.7 15 16 A R S < S- 0 0 91 -3,-1.2 -1,-0.3 12,-0.2 2,-0.2 -0.783 72.0-105.2 -98.2 152.9 -24.0 70.6 48.5 16 17 A P - 0 0 64 0, 0.0 14,-0.6 0, 0.0 2,-0.6 -0.487 31.5-132.2 -75.5 145.2 -21.5 69.0 46.1 17 18 A L E -E 24 0C 2 7,-0.7 7,-3.0 12,-0.2 2,-0.5 -0.813 20.2-170.9 -99.7 125.3 -17.9 69.2 47.1 18 19 A Y E +E 23 0C 81 -2,-0.6 20,-0.4 17,-0.5 2,-0.3 -0.964 12.9 161.5-116.3 128.2 -15.2 70.4 44.6 19 20 A L E > -E 22 0C 0 3,-2.0 3,-2.1 -2,-0.5 18,-0.1 -0.989 68.7 -2.8-140.0 133.1 -11.5 70.2 45.3 20 21 A C T 3 S- 0 0 0 -2,-0.3 98,-0.2 1,-0.3 3,-0.1 0.757 131.2 -55.8 60.2 27.5 -8.5 70.3 43.0 21 22 A G T 3 S+ 0 0 21 1,-0.3 -1,-0.3 93,-0.0 2,-0.3 0.284 115.6 114.3 87.5 -4.4 -11.0 70.5 40.1 22 23 A L E < -E 19 0C 51 -3,-2.1 -3,-2.0 89,-0.0 2,-0.6 -0.707 68.8-124.8-102.9 150.5 -12.8 67.3 41.1 23 24 A L E -E 18 0C 93 -2,-0.3 -5,-0.2 -5,-0.2 -3,-0.0 -0.838 34.1-163.1 -80.8 117.0 -16.3 66.4 42.4 24 25 A I E -E 17 0C 6 -7,-3.0 -7,-0.7 -2,-0.6 80,-0.0 -0.935 23.2-115.9-112.6 124.5 -15.7 64.6 45.6 25 26 A P + 0 0 87 0, 0.0 3,-0.0 0, 0.0 -7,-0.0 -0.346 56.9 148.1 -60.2 131.8 -18.4 62.4 47.2 26 27 A S - 0 0 32 -11,-0.1 -12,-0.2 1,-0.1 -9,-0.1 -0.959 61.2-127.0-167.5 142.6 -19.2 64.1 50.5 27 28 A P S S+ 0 0 54 0, 0.0 -13,-2.0 0, 0.0 2,-0.3 0.619 100.1 41.9 -67.6 -9.9 -22.0 64.8 53.0 28 29 A V E +D 13 0B 11 -15,-0.3 2,-0.3 -14,-0.2 -15,-0.2 -0.930 63.5 176.7-140.2 157.2 -21.0 68.4 52.7 29 30 A G E -D 12 0B 0 -17,-2.4 -17,-3.8 -2,-0.3 -12,-0.2 -0.966 43.4 -60.0-158.2 167.8 -20.0 71.0 50.1 30 31 A A E -D 11 0B 1 -14,-0.6 2,-0.8 5,-0.4 -19,-0.3 -0.376 37.2-151.2 -63.8 120.3 -19.1 74.7 49.6 31 32 A L + 0 0 67 -21,-2.5 -21,-0.4 -2,-0.2 2,-0.3 -0.847 58.8 85.0 -87.5 105.8 -21.9 77.1 50.5 32 33 A A S S- 0 0 22 -2,-0.8 -23,-0.0 2,-0.2 -2,-0.0 -0.924 90.1 -90.4 172.9 170.0 -21.2 80.1 48.2 33 34 A H S S+ 0 0 172 -2,-0.3 36,-0.3 2,-0.0 2,-0.2 -0.034 107.7 60.9 -93.2 25.5 -21.8 81.5 44.7 34 35 A S S S- 0 0 45 34,-0.1 -2,-0.2 -4,-0.1 37,-0.1 -0.634 106.5 -96.4-123.6-173.4 -18.6 79.8 43.4 35 36 A D - 0 0 31 35,-0.3 -17,-0.5 -2,-0.2 -5,-0.4 0.586 52.8-131.9 -82.4 -2.9 -17.9 76.1 43.3 36 37 A G + 0 0 0 1,-0.2 2,-1.5 -19,-0.1 -18,-0.2 0.865 42.0 169.7 60.9 35.3 -16.1 76.9 46.5 37 38 A D > - 0 0 0 1,-0.2 4,-2.6 -20,-0.1 -1,-0.2 -0.642 9.2-178.0 -82.4 90.3 -13.0 74.9 45.3 38 39 A A H > S+ 0 0 0 -2,-1.5 4,-2.6 -20,-0.4 5,-0.2 0.825 75.2 57.0 -61.2 -36.7 -10.7 76.1 48.1 39 40 A A H > S+ 0 0 0 -21,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.972 112.2 38.3 -59.9 -57.2 -7.7 74.2 46.7 40 41 A L H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.895 114.0 56.5 -66.2 -36.0 -7.8 75.9 43.3 41 42 A H H X S+ 0 0 6 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.964 109.4 44.1 -62.9 -48.6 -8.7 79.2 44.7 42 43 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.889 114.9 50.8 -56.2 -43.4 -5.7 79.3 47.0 43 44 A L H X S+ 0 0 2 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.922 110.7 48.4 -60.8 -45.9 -3.5 78.1 44.1 44 45 A T H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.933 112.9 47.4 -60.7 -50.9 -4.8 80.8 41.8 45 46 A D H X S+ 0 0 0 -4,-2.7 4,-3.0 -5,-0.3 -41,-0.2 0.904 109.5 54.6 -56.2 -41.2 -4.2 83.5 44.4 46 47 A A H X S+ 0 0 0 -4,-2.4 4,-1.4 -5,-0.2 -2,-0.2 0.921 109.4 47.4 -61.7 -43.2 -0.7 82.1 45.0 47 48 A L H < S+ 0 0 2 -4,-2.2 4,-0.5 2,-0.2 3,-0.3 0.934 114.6 45.1 -62.2 -50.7 0.1 82.4 41.3 48 49 A L H ><>S+ 0 0 0 -4,-2.4 5,-2.4 1,-0.2 3,-1.6 0.917 110.3 54.9 -58.8 -46.9 -1.3 86.0 41.0 49 50 A S H ><5S+ 0 0 0 -4,-3.0 3,-1.3 1,-0.3 -1,-0.2 0.825 95.8 66.8 -56.7 -34.3 0.5 87.0 44.2 50 51 A A T 3<5S+ 0 0 0 -4,-1.4 -1,-0.3 -3,-0.3 -48,-0.2 0.694 114.3 30.7 -64.6 -18.7 3.8 85.8 42.8 51 52 A Y T < 5S- 0 0 15 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.191 111.1-113.3-120.2 11.9 3.5 88.7 40.2 52 53 A G T < 5 + 0 0 31 -3,-1.3 -3,-0.2 -4,-0.2 375,-0.1 0.803 69.3 142.6 62.1 31.1 1.6 91.2 42.2 53 54 A L < - 0 0 38 -5,-2.4 2,-0.4 1,-0.3 -4,-0.2 0.442 61.7-112.0 -83.5 -4.3 -1.4 90.8 39.9 54 55 A G - 0 0 8 -6,-0.3 2,-0.3 -9,-0.1 -1,-0.3 -0.923 43.0 -76.9 109.9-137.5 -4.0 91.2 42.6 55 56 A D >> - 0 0 3 -2,-0.4 4,-2.5 -7,-0.1 3,-0.5 -0.922 42.6 -84.7-157.4 176.9 -6.2 88.2 43.6 56 57 A I H 3> S+ 0 0 19 -2,-0.3 4,-2.3 1,-0.2 -14,-0.0 0.838 121.7 57.4 -69.4 -26.5 -9.2 86.2 42.5 57 58 A G H 34 S+ 0 0 51 375,-0.3 -1,-0.2 2,-0.2 376,-0.0 0.843 113.8 41.4 -66.9 -32.0 -11.8 88.6 44.0 58 59 A L H <4 S+ 0 0 84 -3,-0.5 -2,-0.2 2,-0.1 -1,-0.2 0.965 125.1 31.2 -79.1 -52.0 -10.3 91.4 41.9 59 60 A L H < S+ 0 0 48 -4,-2.5 -3,-0.2 1,-0.2 -2,-0.2 0.754 126.8 35.8 -82.6 -26.2 -9.7 89.5 38.6 60 61 A F S < S+ 0 0 17 -4,-2.3 -1,-0.2 -5,-0.4 -2,-0.1 -0.176 74.4 156.3-126.1 50.8 -12.6 87.0 38.6 61 62 A P > - 0 0 38 0, 0.0 3,-1.5 0, 0.0 6,-0.3 -0.250 51.4-121.2 -76.7 159.8 -15.7 88.6 40.2 62 63 A D T 3 S+ 0 0 87 1,-0.3 6,-0.1 5,-0.1 -5,-0.0 0.517 107.3 75.4 -82.2 -1.3 -19.2 87.4 39.4 63 64 A T T 3 S+ 0 0 119 4,-0.0 -1,-0.3 2,-0.0 3,-0.0 0.507 84.0 78.1 -79.7 -8.9 -20.0 90.8 38.2 64 65 A D S X> S- 0 0 32 -3,-1.5 4,-2.8 1,-0.1 3,-0.5 -0.920 74.3-149.8-105.6 123.6 -18.1 90.0 35.1 65 66 A P T 34 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.711 94.9 63.7 -66.7 -22.9 -19.9 87.7 32.6 66 67 A R T 34 S+ 0 0 152 1,-0.1 -4,-0.1 3,-0.0 -6,-0.0 0.926 117.1 25.5 -59.0 -46.5 -16.7 86.2 31.5 67 68 A W T X4 S+ 0 0 34 -3,-0.5 3,-2.0 -6,-0.3 -1,-0.1 0.785 90.6 110.5 -99.7 -27.5 -16.0 84.7 34.9 68 69 A R T 3< S+ 0 0 128 -4,-2.8 3,-0.1 -7,-0.3 -34,-0.1 -0.307 93.7 2.8 -61.5 128.6 -19.4 84.3 36.5 69 70 A G T 3 S+ 0 0 76 -36,-0.3 -1,-0.3 1,-0.3 2,-0.1 0.296 95.4 140.1 84.3 -4.5 -20.4 80.7 36.9 70 71 A E < - 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0 0 4 -5,-3.0 2,-0.4 -6,-0.1 -1,-0.2 -0.276 25.6-174.0 -71.1 138.1 6.9 82.7 34.6 89 90 A K - 0 0 133 -2,-0.1 61,-2.6 0, 0.0 2,-0.2 -0.948 25.5-133.4-126.9 119.6 7.6 79.0 34.6 90 91 A L E +B 149 0A 24 -2,-0.4 59,-0.2 59,-0.2 3,-0.1 -0.450 30.3 169.7 -72.2 132.4 5.8 77.1 37.4 91 92 A L E + 0 0 52 57,-2.5 2,-0.3 1,-0.4 58,-0.2 0.734 57.1 2.2-113.9 -35.2 8.1 74.7 39.2 92 93 A Q E -B 148 0A 0 56,-2.1 56,-2.2 29,-0.1 2,-0.4 -1.000 46.2-163.3-157.1 150.6 6.3 73.5 42.3 93 94 A A E -Bc 147 126A 0 32,-2.1 34,-3.4 -2,-0.3 2,-0.5 -0.979 9.6-178.3-137.1 127.3 3.1 73.8 44.3 94 95 A S E +Bc 146 127A 0 52,-3.2 52,-2.8 -2,-0.4 2,-0.3 -0.977 15.0 163.4-126.0 124.0 2.6 72.8 47.9 95 96 A L E -Bc 145 128A 0 32,-3.8 34,-2.1 -2,-0.5 2,-0.4 -0.977 27.1-144.7-143.8 157.4 -0.7 73.1 49.7 96 97 A V E -Bc 144 129A 0 48,-2.3 48,-1.6 -2,-0.3 2,-0.5 -0.974 9.0-157.4-123.0 129.8 -2.7 71.9 52.7 97 98 A L E -Bc 143 130A 0 32,-2.3 34,-3.0 -2,-0.4 2,-0.5 -0.921 8.8-168.4-108.1 127.4 -6.4 71.2 52.8 98 99 A T E +Bc 142 131A 8 44,-2.8 44,-2.5 -2,-0.5 2,-0.3 -0.960 25.7 134.5-121.1 117.8 -8.1 71.3 56.2 99 100 A L - 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