==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 08-APR-04 1T0A . COMPND 2 MOLECULE: 2C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE SYNTH . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA ONEIDENSIS; . AUTHOR S.NI,H.ROBINSON,G.C.MARSING,D.E.BUSSIERE,M.A.KENNEDY . 474 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17561.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 320 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 94 19.8 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 . 24 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 23.4 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 3 0 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 5 1 0 0 0 0 0 0 3 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 2 A K 0 0 135 0, 0.0 156,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 141.6 71.6 11.0 17.1 2 3 A I E -A 156 0A 33 154,-0.2 2,-0.4 88,-0.1 154,-0.2 -0.966 360.0-162.8-120.3 143.4 75.2 10.3 16.1 3 4 A R E -A 155 0A 19 152,-2.5 152,-2.8 -2,-0.4 2,-0.3 -0.993 6.9-144.2-129.9 138.9 76.1 8.0 13.2 4 5 A I E -A 154 0A 1 -2,-0.4 2,-0.3 150,-0.2 150,-0.2 -0.718 15.5-176.0-100.5 147.1 79.5 6.3 12.3 5 6 A G E -A 153 0A 0 148,-2.0 148,-2.2 -2,-0.3 2,-0.4 -0.983 9.5-160.4-139.9 152.6 81.0 5.6 9.0 6 7 A H E -A 152 0A 1 -2,-0.3 2,-0.4 41,-0.3 146,-0.2 -0.994 8.4-171.8-130.2 136.2 84.1 3.9 7.6 7 8 A G E -A 151 0A 0 144,-2.8 144,-2.3 -2,-0.4 2,-0.3 -0.974 5.0-179.9-127.9 149.1 85.7 4.3 4.2 8 9 A F E +A 150 0A 19 -2,-0.4 2,-0.3 142,-0.2 142,-0.2 -0.985 9.0 166.6-144.7 130.7 88.5 2.4 2.5 9 10 A D E -A 149 0A 8 140,-2.1 140,-2.5 -2,-0.3 2,-0.3 -0.990 11.4-172.0-144.5 155.6 90.0 3.0 -0.9 10 11 A V E -A 148 0A 1 283,-0.4 2,-0.3 -2,-0.3 138,-0.2 -0.991 2.7-179.5-141.3 139.0 93.1 2.0 -2.9 11 12 A H E -A 147 0A 9 136,-1.7 136,-2.0 -2,-0.3 2,-0.3 -0.984 25.4-122.1-132.9 155.1 94.5 3.0 -6.3 12 13 A K E -A 146 0A 99 21,-0.4 21,-3.1 -2,-0.3 134,-0.3 -0.656 24.6-120.6 -88.4 141.8 97.5 1.9 -8.2 13 14 A F E S+D 32 0B 12 132,-2.2 19,-0.2 -2,-0.3 -1,-0.1 -0.279 74.1 86.8 -66.9 163.9 100.4 4.2 -9.3 14 15 A G E + 0 0 47 17,-1.7 18,-0.2 1,-0.3 -1,-0.2 0.502 46.9 119.0 122.0 7.2 101.3 4.5 -12.9 15 16 A E E -D 31 0B 79 16,-1.5 16,-2.3 -3,-0.2 2,-2.0 -0.899 63.0-130.6 -96.9 122.7 99.1 7.2 -14.5 16 17 A P S S+ 0 0 114 0, 0.0 14,-0.1 0, 0.0 13,-0.0 -0.493 72.0 93.6 -75.5 83.5 101.2 10.1 -15.9 17 18 A R S S- 0 0 66 -2,-2.0 -3,-0.1 20,-0.0 -2,-0.1 -0.961 86.1 -60.6-159.9 164.9 99.3 12.9 -14.3 18 19 A P - 0 0 71 0, 0.0 2,-0.9 0, 0.0 14,-0.3 -0.270 48.7-122.9 -56.4 141.1 99.4 15.1 -11.2 19 20 A L E -E 26 0C 6 7,-0.5 7,-2.6 12,-0.2 2,-0.6 -0.805 32.5-172.2 -86.7 106.1 99.1 13.2 -7.9 20 21 A I E +E 25 0C 48 -2,-0.9 2,-0.4 17,-0.4 20,-0.2 -0.931 7.1 175.2-107.9 120.7 96.1 14.8 -6.2 21 22 A L E > S-E 24 0C 0 3,-2.8 3,-1.7 -2,-0.6 18,-0.1 -0.985 71.1 -12.3-129.4 121.6 95.6 13.7 -2.6 22 23 A C T 3 S- 0 0 0 -2,-0.4 94,-0.2 1,-0.3 95,-0.2 0.893 130.3 -55.9 52.4 36.3 92.9 15.2 -0.4 23 24 A G T 3 S+ 0 0 24 1,-0.2 2,-0.4 93,-0.1 -1,-0.3 0.451 117.6 113.2 82.2 5.3 92.6 17.9 -3.0 24 25 A V E < -E 21 0C 17 -3,-1.7 -3,-2.8 2,-0.0 2,-0.5 -0.896 67.7-126.8-116.7 131.9 96.3 18.8 -2.8 25 26 A E E -E 20 0C 134 -2,-0.4 -5,-0.2 -5,-0.2 -3,-0.0 -0.688 28.4-169.3 -75.6 120.2 98.9 18.3 -5.5 26 27 A V E -E 19 0C 2 -7,-2.6 -7,-0.5 -2,-0.5 2,-0.1 -0.955 27.0-112.4-113.4 126.6 101.8 16.3 -4.0 27 28 A P + 0 0 102 0, 0.0 2,-0.3 0, 0.0 -7,-0.0 -0.403 54.5 142.7 -60.8 131.0 105.0 16.1 -6.1 28 29 A Y - 0 0 63 -2,-0.1 -9,-0.1 76,-0.1 -2,-0.0 -0.962 60.9-109.6-164.3 154.9 105.7 12.5 -7.3 29 30 A E S S+ 0 0 177 -2,-0.3 2,-0.3 -11,-0.1 -1,-0.0 0.704 100.2 8.1 -62.3 -22.2 107.1 10.7 -10.4 30 31 A T - 0 0 26 -14,-0.1 2,-0.2 -3,-0.0 -11,-0.1 -0.908 69.9-130.2-147.7 174.5 103.7 9.4 -11.3 31 32 A G E -D 15 0B 0 -16,-2.3 -17,-1.7 -2,-0.3 -16,-1.5 -0.491 36.5 -76.7-115.6-166.3 100.0 9.7 -10.4 32 33 A L E -D 13 0B 3 -14,-0.3 2,-0.4 5,-0.3 -19,-0.2 -0.778 33.7-124.1-105.0 136.9 97.2 7.3 -9.6 33 34 A V + 0 0 55 -21,-3.1 -21,-0.4 -2,-0.4 2,-0.3 -0.606 53.9 125.9 -74.9 125.2 95.2 5.2 -12.0 34 35 A A - 0 0 24 -2,-0.4 37,-0.1 2,-0.2 -23,-0.0 -0.968 67.6-111.8-170.0 163.3 91.4 5.8 -11.7 35 36 A H S S+ 0 0 35 -2,-0.3 36,-2.8 35,-0.1 37,-0.2 0.952 108.6 38.3 -66.6 -50.7 88.3 6.7 -13.6 36 37 A S S S- 0 0 8 34,-0.3 -2,-0.2 35,-0.2 37,-0.2 0.082 127.1 -63.6 -75.7-161.7 88.1 10.1 -11.8 37 38 A D S S- 0 0 17 35,-2.2 -17,-0.4 32,-0.1 -5,-0.3 0.516 72.4-115.7 -66.5 -6.7 91.1 12.2 -10.9 38 39 A G + 0 0 1 1,-0.2 2,-1.8 34,-0.2 3,-0.1 0.611 54.5 162.5 85.5 16.0 92.3 9.4 -8.7 39 40 A D > + 0 0 0 1,-0.2 4,-2.2 -18,-0.1 -1,-0.2 -0.482 11.4 179.9 -75.3 86.9 92.1 11.1 -5.3 40 41 A V H > S+ 0 0 0 -2,-1.8 4,-1.8 -20,-0.2 -1,-0.2 0.759 76.4 57.1 -60.5 -29.1 92.1 8.0 -3.1 41 42 A V H > S+ 0 0 0 -21,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.960 109.0 42.8 -70.7 -50.1 91.8 10.2 0.0 42 43 A L H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.864 111.8 56.0 -66.4 -32.2 88.7 12.0 -0.9 43 44 A H H X S+ 0 0 11 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.933 108.2 47.5 -61.3 -47.6 87.1 8.7 -2.2 44 45 A A H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.912 113.6 47.3 -62.2 -40.5 87.7 7.0 1.2 45 46 A I H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.911 111.2 52.1 -66.4 -42.6 86.2 10.0 3.0 46 47 A S H X S+ 0 0 1 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.916 109.4 49.4 -55.4 -46.0 83.2 10.1 0.6 47 48 A D H X S+ 0 0 2 -4,-2.4 4,-2.3 1,-0.2 -41,-0.3 0.853 108.6 53.4 -65.9 -33.8 82.6 6.4 1.3 48 49 A A H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.900 111.6 45.8 -65.5 -40.9 82.7 7.1 5.1 49 50 A I H X S+ 0 0 1 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.954 115.4 44.9 -69.3 -48.2 80.1 9.8 4.7 50 51 A L H <>S+ 0 0 0 -4,-2.9 5,-2.6 1,-0.2 4,-0.5 0.896 114.5 52.0 -57.9 -41.4 77.8 7.7 2.5 51 52 A G H ><5S+ 0 0 0 -4,-2.3 3,-1.1 -5,-0.3 -2,-0.2 0.914 105.6 51.8 -65.4 -45.2 78.4 4.8 4.8 52 53 A A H 3<5S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.880 114.6 44.8 -55.7 -38.2 77.5 6.8 8.0 53 54 A X T 3<5S- 0 0 10 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.468 110.9-121.5 -87.7 0.3 74.2 7.8 6.2 54 55 A A T < 5S+ 0 0 10 -3,-1.1 -3,-0.2 -4,-0.5 233,-0.1 0.888 70.7 133.1 55.7 45.9 73.5 4.3 4.9 55 56 A L < - 0 0 43 -5,-2.6 2,-0.5 1,-0.3 -4,-0.2 0.194 65.6-115.6-110.1 12.6 73.5 5.5 1.3 56 57 A G - 0 0 14 -6,-0.4 -1,-0.3 -5,-0.1 2,-0.3 -0.780 46.5 -62.5 97.7-129.0 75.7 2.9 -0.3 57 58 A D >> - 0 0 18 -2,-0.5 4,-1.9 -3,-0.1 3,-1.0 -0.908 45.5 -88.8-154.4 176.4 79.1 3.7 -1.7 58 59 A I H 3> S+ 0 0 27 -2,-0.3 4,-2.5 1,-0.3 -14,-0.0 0.749 119.7 64.7 -69.1 -23.3 80.8 5.8 -4.4 59 60 A G H 34 S+ 0 0 46 232,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.831 107.5 41.9 -63.9 -33.9 80.5 2.8 -6.9 60 61 A K H <4 S+ 0 0 140 -3,-1.0 -2,-0.2 2,-0.1 -1,-0.2 0.923 122.4 37.2 -76.0 -49.6 76.7 3.2 -6.7 61 62 A H H < S+ 0 0 30 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.797 130.8 24.9 -77.8 -31.5 76.6 7.0 -6.9 62 63 A F S < S- 0 0 9 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.1 -0.578 83.7-160.8-137.0 65.4 79.4 7.7 -9.3 63 64 A P > - 0 0 38 0, 0.0 3,-1.5 0, 0.0 6,-0.3 -0.170 20.7-137.4 -60.3 138.8 79.9 4.6 -11.5 64 65 A D T 3 S+ 0 0 99 1,-0.3 -5,-0.0 -5,-0.1 -30,-0.0 0.648 101.9 67.6 -67.3 -17.2 83.1 4.0 -13.3 65 66 A T T 3 S+ 0 0 140 1,-0.0 2,-0.6 2,-0.0 -1,-0.3 0.612 85.6 86.9 -74.8 -12.7 81.1 2.9 -16.4 66 67 A D X - 0 0 65 -3,-1.5 3,-1.8 1,-0.1 4,-0.3 -0.809 66.6-154.4-100.7 116.5 79.8 6.5 -16.8 67 68 A A G > S+ 0 0 79 -2,-0.6 3,-1.4 1,-0.3 -1,-0.1 0.701 86.2 80.8 -61.6 -20.3 81.8 8.9 -18.8 68 69 A A G 3 S+ 0 0 77 1,-0.3 -1,-0.3 3,-0.0 -6,-0.0 0.821 98.0 42.7 -52.5 -32.8 80.3 11.9 -16.8 69 70 A Y G X S+ 0 0 58 -3,-1.8 3,-2.1 -6,-0.3 -1,-0.3 0.453 80.7 128.0 -96.8 -0.9 82.8 11.1 -14.0 70 71 A K T < S- 0 0 149 -3,-1.4 -34,-0.3 1,-0.3 -35,-0.1 -0.409 91.2 -7.0 -61.2 121.2 85.9 10.5 -16.2 71 72 A G T 3 S+ 0 0 47 -36,-2.8 -1,-0.3 -2,-0.2 -35,-0.2 0.518 96.1 165.9 72.1 8.1 88.7 12.8 -14.9 72 73 A A < - 0 0 23 -3,-2.1 -35,-2.2 -37,-0.2 2,-0.4 -0.211 46.4-108.8 -63.1 140.6 86.3 14.4 -12.5 73 74 A D >> - 0 0 88 -37,-0.2 3,-1.6 1,-0.1 4,-0.7 -0.582 26.3-141.1 -64.3 120.4 87.6 16.5 -9.6 74 75 A S H 3> S+ 0 0 0 -2,-0.4 4,-2.3 1,-0.3 -1,-0.1 0.632 95.0 73.9 -71.6 -10.2 86.9 14.3 -6.6 75 76 A R H 3> S+ 0 0 61 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.854 92.7 56.9 -66.5 -31.7 86.0 17.4 -4.5 76 77 A V H <> S+ 0 0 81 -3,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.925 108.4 45.6 -60.6 -43.4 82.8 17.5 -6.5 77 78 A L H X S+ 0 0 12 -4,-0.7 4,-2.4 2,-0.2 -2,-0.2 0.915 112.8 50.1 -68.6 -41.9 82.0 13.9 -5.4 78 79 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.928 111.2 49.0 -61.7 -45.4 82.9 14.7 -1.8 79 80 A R H X S+ 0 0 107 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.875 109.3 51.8 -63.8 -40.0 80.7 17.7 -1.8 80 81 A H H X S+ 0 0 87 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.946 111.3 48.6 -57.4 -47.2 77.7 15.7 -3.3 81 82 A C H X S+ 0 0 1 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.920 113.4 45.0 -65.1 -45.0 78.1 13.1 -0.5 82 83 A Y H X S+ 0 0 12 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.886 108.6 57.7 -65.4 -37.3 78.2 15.7 2.3 83 84 A A H X S+ 0 0 54 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.851 103.5 53.6 -61.6 -34.3 75.3 17.5 0.8 84 85 A L H X S+ 0 0 52 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.937 108.9 48.7 -64.5 -44.0 73.3 14.3 1.0 85 86 A A H <>S+ 0 0 0 -4,-1.7 5,-2.5 1,-0.2 3,-0.4 0.939 112.4 48.2 -59.0 -46.4 74.1 14.1 4.7 86 87 A K H ><5S+ 0 0 65 -4,-2.6 3,-1.9 1,-0.2 -2,-0.2 0.914 108.0 54.9 -61.9 -39.7 73.1 17.8 5.2 87 88 A A H 3<5S+ 0 0 87 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.823 106.8 52.0 -64.0 -28.9 69.9 17.2 3.3 88 89 A K T 3<5S- 0 0 113 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.370 128.3 -99.6 -89.0 1.5 69.1 14.4 5.8 89 90 A G T < 5S+ 0 0 30 -3,-1.9 69,-3.1 1,-0.3 2,-0.3 0.617 82.9 120.0 95.2 17.2 69.7 16.7 8.7 90 91 A F E < -B 157 0A 15 -5,-2.5 -1,-0.3 67,-0.3 2,-0.3 -0.749 34.3-178.2-112.8 156.2 73.3 15.7 9.6 91 92 A E E -B 156 0A 73 65,-2.3 65,-2.7 -2,-0.3 2,-0.1 -0.917 43.2 -66.1-141.0 172.8 76.6 17.6 9.8 92 93 A L E +B 155 0A 14 29,-0.4 63,-0.2 -2,-0.3 3,-0.1 -0.367 37.3 174.9 -65.0 129.4 80.2 16.7 10.6 93 94 A G E S- 0 0 17 61,-2.8 2,-0.3 1,-0.3 62,-0.2 0.801 70.7 -44.4 -85.5 -73.1 80.9 15.6 14.2 94 95 A N E -B 154 0A 1 60,-1.5 60,-2.4 2,-0.0 2,-0.4 -0.979 51.7-146.6-157.4 162.0 84.6 14.8 13.5 95 96 A L E -Bc 153 128A 1 32,-2.3 34,-2.3 -2,-0.3 2,-0.4 -0.985 7.9-173.0-133.2 135.3 86.7 13.1 10.8 96 97 A D E -Bc 152 129A 0 56,-2.6 56,-2.7 -2,-0.4 2,-0.4 -0.994 10.6-173.2-134.1 125.5 89.9 11.1 11.2 97 98 A V E -Bc 151 130A 0 32,-1.9 34,-2.5 -2,-0.4 2,-0.4 -0.920 11.3-160.1-123.6 142.6 91.7 9.9 8.1 98 99 A T E -Bc 150 131A 0 52,-3.2 52,-2.4 -2,-0.4 2,-0.5 -0.958 5.5-158.8-127.3 111.9 94.8 7.6 7.7 99 100 A I E -Bc 149 132A 0 32,-2.9 34,-2.5 -2,-0.4 2,-0.7 -0.779 9.3-158.1 -89.0 125.2 96.8 7.7 4.5 100 101 A I E +Bc 148 133A 7 48,-3.4 48,-2.2 -2,-0.5 2,-0.3 -0.918 36.0 131.9-112.0 108.3 98.8 4.5 4.2 101 102 A A - 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