==== 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 23-APR-07 2PMP . COMPND 2 MOLECULE: 2-C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE SYNT . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR B.M.CALISTO,J.PEREZ-GIL,J.QUEROL-AUDI,I.FITA,S.IMPERIAL . 160 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8292.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 103 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 19.4 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 . 1 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 . 8 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 40 25.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 0 0 0 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 0 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 1 A T 0 0 144 0, 0.0 158,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 146.9 -1.7 13.0 14.9 2 2 A L - 0 0 93 1,-0.1 157,-0.1 156,-0.0 3,-0.0 -0.574 360.0-148.3 -87.8 133.0 0.1 10.7 12.5 3 3 A P S S+ 0 0 82 0, 0.0 156,-2.5 0, 0.0 2,-0.3 0.821 87.0 29.1 -66.1 -31.1 3.0 11.9 10.3 4 4 A F E -A 158 0A 111 154,-0.2 2,-0.4 88,-0.1 154,-0.2 -0.980 64.0-168.7-131.3 144.3 2.0 9.5 7.5 5 5 A R E -A 157 0A 85 152,-1.9 152,-3.3 -2,-0.3 2,-0.3 -0.995 12.7-147.0-134.5 128.2 -1.3 7.9 6.4 6 6 A I E -A 156 0A 136 -2,-0.4 2,-0.3 150,-0.2 150,-0.2 -0.743 16.9-173.9 -96.4 137.0 -1.6 5.0 3.9 7 7 A G E -A 155 0A 5 148,-2.6 148,-2.2 -2,-0.3 2,-0.4 -0.959 10.7-164.9-130.6 150.2 -4.6 4.7 1.5 8 8 A H E -A 154 0A 106 -2,-0.3 2,-0.4 41,-0.3 146,-0.2 -0.999 7.6-174.6-132.1 130.9 -5.9 2.1 -1.0 9 9 A G E -A 153 0A 2 144,-2.9 144,-2.4 -2,-0.4 2,-0.3 -0.958 3.7-177.3-120.7 149.9 -8.4 2.5 -3.7 10 10 A F E +A 152 0A 96 -2,-0.4 2,-0.3 142,-0.2 142,-0.2 -0.993 7.4 168.5-135.8 138.6 -10.1 0.1 -6.2 11 11 A D E -A 151 0A 36 140,-2.1 140,-2.5 -2,-0.3 2,-0.3 -0.985 8.3-174.4-147.7 150.5 -12.6 0.8 -8.9 12 12 A L E -A 150 0A 70 -2,-0.3 2,-0.3 138,-0.2 138,-0.2 -0.992 3.7-174.0-140.4 138.5 -14.0 -1.3 -11.9 13 13 A H E -A 149 0A 26 136,-2.6 136,-2.3 -2,-0.3 2,-0.2 -0.984 28.1-110.5-130.1 151.3 -16.3 -0.3 -14.7 14 14 A R E -A 148 0A 143 21,-0.5 21,-1.8 -2,-0.3 2,-0.5 -0.525 25.9-147.3 -70.9 137.4 -18.1 -2.2 -17.5 15 15 A L E +D 34 0B 0 132,-1.7 19,-0.2 19,-0.2 6,-0.1 -0.960 24.7 168.5-106.9 127.9 -16.9 -1.5 -21.1 16 16 A E E > -D 33 0B 59 17,-2.7 17,-2.4 -2,-0.5 3,-1.2 -0.925 41.7 -78.0-133.9 159.6 -19.5 -1.7 -23.8 17 17 A P E 3 S+D 32 0B 77 0, 0.0 15,-0.3 0, 0.0 14,-0.1 -0.262 107.5 14.0 -61.3 138.5 -19.4 -0.7 -27.5 18 18 A G T 3 S+ 0 0 78 13,-1.2 14,-0.1 1,-0.3 13,-0.1 0.485 94.2 121.5 84.4 3.7 -19.8 3.0 -28.4 19 19 A Y < - 0 0 101 -3,-1.2 -1,-0.3 14,-0.2 2,-0.2 -0.534 68.2 -88.0 -96.7 163.2 -19.2 4.6 -25.0 20 20 A P - 0 0 73 0, 0.0 14,-2.2 0, 0.0 2,-0.6 -0.479 26.4-154.8 -67.0 136.6 -16.6 7.1 -23.8 21 21 A L + 0 0 4 7,-0.4 7,-2.8 12,-0.3 2,-0.5 -0.937 24.4 169.1-110.7 100.7 -13.2 5.8 -22.6 22 22 A I E -E 27 0C 35 -2,-0.6 2,-0.5 17,-0.3 20,-0.3 -0.977 8.9-178.1-116.5 121.9 -12.0 8.6 -20.2 23 23 A I E > S-E 26 0C 2 3,-2.8 3,-1.5 -2,-0.5 18,-0.1 -0.964 72.1 -18.1-127.8 113.6 -8.9 7.8 -18.0 24 24 A G T 3 S- 0 0 0 -2,-0.5 -1,-0.1 1,-0.3 95,-0.1 0.850 129.8 -50.7 59.5 36.1 -7.6 10.4 -15.5 25 25 A G T 3 S+ 0 0 33 1,-0.2 2,-0.4 93,-0.1 -1,-0.3 0.164 115.2 117.0 92.7 -14.1 -9.6 13.1 -17.4 26 26 A I E < -E 23 0C 35 -3,-1.5 -3,-2.8 85,-0.0 2,-0.4 -0.714 62.2-131.1-100.2 131.9 -8.2 12.2 -20.8 27 27 A V E -E 22 0C 104 -2,-0.4 -5,-0.2 -5,-0.2 -1,-0.0 -0.643 23.3-173.3 -77.0 128.9 -10.2 10.9 -23.7 28 28 A I - 0 0 3 -7,-2.8 -7,-0.4 -2,-0.4 2,-0.2 -0.996 22.8-127.5-124.3 118.8 -8.8 7.8 -25.3 29 29 A P + 0 0 105 0, 0.0 2,-0.3 0, 0.0 4,-0.0 -0.495 44.2 145.5 -66.8 143.0 -10.5 6.5 -28.5 30 30 A H - 0 0 43 -11,-0.2 -12,-0.2 -2,-0.2 -9,-0.1 -0.948 61.7-108.7-172.2 149.6 -11.5 2.8 -28.6 31 31 A D S S+ 0 0 105 -2,-0.3 -13,-1.2 -14,-0.1 2,-0.3 0.627 107.2 35.5 -60.0 -14.3 -14.3 0.5 -29.9 32 32 A R E +D 17 0B 46 -15,-0.3 2,-0.3 -14,-0.1 -17,-0.1 -0.974 66.4 167.5-138.1 154.0 -15.6 0.2 -26.2 33 33 A G E -D 16 0B 0 -17,-2.4 -17,-2.7 -2,-0.3 2,-0.3 -0.895 44.0 -51.7-154.5-175.6 -15.9 2.5 -23.3 34 34 A C E -D 15 0B 9 -14,-2.2 2,-0.9 -2,-0.3 -19,-0.2 -0.459 33.0-161.3 -77.0 120.3 -17.4 2.9 -19.8 35 35 A E + 0 0 61 -21,-1.8 -21,-0.5 -2,-0.3 2,-0.3 -0.884 46.1 126.8 -91.9 102.9 -21.1 2.4 -19.5 36 36 A A S S- 0 0 37 -2,-0.9 -23,-0.0 2,-0.3 -2,-0.0 -0.948 71.8-119.4-152.7 167.8 -21.7 4.1 -16.1 37 37 A H S S+ 0 0 180 -2,-0.3 -1,-0.1 2,-0.0 -2,-0.0 0.782 105.3 58.4 -81.8 -32.9 -23.8 6.8 -14.3 38 38 A S S S- 0 0 41 -3,-0.1 -2,-0.3 1,-0.1 37,-0.1 0.041 116.0 -90.9 -63.3-173.1 -20.5 8.6 -13.6 39 39 A D - 0 0 48 35,-0.3 -17,-0.3 -4,-0.1 -5,-0.2 0.377 63.5-118.8 -78.2 -2.4 -18.2 9.8 -16.5 40 40 A G + 0 0 1 1,-0.2 2,-1.6 -19,-0.1 3,-0.1 0.560 56.1 161.1 85.1 13.6 -16.8 6.3 -15.8 41 41 A D > - 0 0 0 1,-0.2 4,-2.7 2,-0.1 5,-0.3 -0.479 14.0-179.4 -80.7 89.4 -13.3 7.5 -14.9 42 42 A V H > S+ 0 0 1 -2,-1.6 4,-1.5 -20,-0.3 -1,-0.2 0.809 79.3 49.7 -59.8 -35.5 -12.0 4.4 -13.0 43 43 A L H > S+ 0 0 0 -21,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.917 112.6 45.7 -72.2 -45.2 -8.6 6.1 -12.3 44 44 A L H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.933 113.0 50.8 -65.2 -44.3 -10.1 9.3 -10.9 45 45 A H H X S+ 0 0 16 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.846 111.8 46.2 -62.9 -36.2 -12.6 7.4 -8.8 46 46 A C H X S+ 0 0 0 -4,-1.5 4,-1.4 -5,-0.3 -1,-0.2 0.801 109.3 53.4 -84.6 -23.8 -10.1 5.2 -7.2 47 47 A V H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.915 109.8 50.8 -63.7 -45.1 -7.6 8.0 -6.5 48 48 A V H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.915 110.6 47.6 -57.0 -45.7 -10.5 9.7 -4.7 49 49 A D H X S+ 0 0 43 -4,-1.8 4,-1.7 2,-0.2 -41,-0.3 0.778 109.8 53.7 -69.0 -29.7 -11.2 6.6 -2.7 50 50 A A H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.924 112.3 44.0 -68.0 -46.6 -7.5 6.2 -1.8 51 51 A I H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.966 115.8 46.9 -59.4 -56.3 -7.4 9.8 -0.4 52 52 A L H X>S+ 0 0 0 -4,-2.8 5,-2.5 1,-0.2 4,-0.9 0.885 115.4 47.4 -53.9 -41.0 -10.7 9.5 1.4 53 53 A G H <5S+ 0 0 46 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.830 106.3 54.7 -74.4 -36.6 -9.5 6.1 2.8 54 54 A A H <5S+ 0 0 2 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.854 115.1 43.0 -58.4 -37.6 -6.1 7.3 3.9 55 55 A L H <5S- 0 0 20 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.572 111.4-119.9 -86.3 -16.6 -7.9 10.0 5.9 56 56 A G T <5 + 0 0 62 -4,-0.9 -3,-0.2 1,-0.2 -4,-0.1 0.728 63.6 142.8 81.2 24.9 -10.7 7.8 7.3 57 57 A L < - 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0 0 16 1,-0.1 -35,-0.3 2,-0.1 -2,-0.1 -0.544 55.8-118.1 -68.9 132.3 -20.3 15.8 -12.0 75 75 A A >> - 0 0 47 -2,-0.2 3,-1.6 1,-0.1 4,-0.6 -0.423 31.0-111.8 -59.1 148.3 -17.1 15.3 -14.0 76 76 A S H 3> S+ 0 0 0 1,-0.3 4,-1.9 2,-0.2 3,-0.4 0.727 115.1 73.6 -65.5 -21.7 -14.7 13.2 -11.8 77 77 A S H 3> S+ 0 0 41 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.879 89.8 59.7 -51.5 -41.7 -12.5 16.3 -11.5 78 78 A V H <> S+ 0 0 61 -3,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.867 106.5 46.1 -56.4 -40.4 -15.2 17.7 -9.1 79 79 A F H X S+ 0 0 18 -4,-0.6 4,-1.9 -3,-0.4 -1,-0.2 0.853 111.1 51.9 -73.0 -37.3 -14.6 14.6 -6.8 80 80 A I H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.909 110.9 48.0 -61.9 -44.2 -10.8 15.0 -7.0 81 81 A K H X S+ 0 0 105 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.924 111.9 48.6 -68.1 -42.9 -10.9 18.7 -6.0 82 82 A E H X S+ 0 0 48 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.883 111.1 51.7 -62.3 -37.4 -13.3 18.0 -3.1 83 83 A A H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.902 109.6 47.7 -66.5 -42.2 -11.1 15.2 -1.9 84 84 A V H X S+ 0 0 24 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.808 110.6 53.7 -69.2 -28.8 -7.9 17.3 -2.0 85 85 A R H X S+ 0 0 117 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.918 110.5 45.4 -66.0 -45.5 -9.8 20.1 -0.1 86 86 A L H X S+ 0 0 24 -4,-2.0 4,-0.7 2,-0.2 -2,-0.2 0.799 113.3 51.0 -68.6 -31.5 -10.8 17.7 2.7 87 87 A M H >X>S+ 0 0 12 -4,-1.6 5,-2.1 2,-0.2 4,-0.6 0.932 110.6 49.1 -67.2 -49.3 -7.2 16.3 2.8 88 88 A D H ><5S+ 0 0 83 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.933 110.4 49.3 -57.0 -49.2 -5.8 19.8 3.1 89 89 A E H 3<5S+ 0 0 133 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.683 106.4 57.4 -67.4 -18.9 -8.2 20.8 5.9 90 90 A A H <<5S- 0 0 44 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.554 124.4-105.8 -83.6 -14.1 -7.3 17.5 7.8 91 91 A G T <<5S+ 0 0 17 -3,-1.6 69,-2.5 -4,-0.6 2,-0.3 0.743 77.8 120.0 97.8 30.0 -3.7 18.7 7.7 92 92 A Y E < -B 159 0A 7 -5,-2.1 -1,-0.3 67,-0.3 2,-0.3 -0.856 37.1-171.9-126.5 156.2 -2.3 16.5 5.0 93 93 A E E -B 158 0A 91 65,-3.0 65,-3.2 -2,-0.3 2,-0.5 -0.884 41.3 -83.8-131.2 170.0 -0.6 16.7 1.6 94 94 A I E +B 157 0A 22 -2,-0.3 63,-0.2 63,-0.2 3,-0.1 -0.641 33.5 178.1 -77.6 123.1 0.4 14.0 -1.0 95 95 A G E S- 0 0 13 61,-2.3 2,-0.3 -2,-0.5 62,-0.2 0.900 71.0 -33.8 -79.3 -65.8 3.7 12.3 -0.4 96 96 A N E -B 156 0A 81 60,-1.6 60,-2.5 2,-0.0 2,-0.4 -0.987 51.7-149.7-156.1 164.3 3.3 10.0 -3.4 97 97 A L E -Bc 155 130A 0 32,-2.6 34,-2.3 -2,-0.3 2,-0.4 -0.988 7.0-173.3-133.9 130.7 0.7 8.2 -5.4 98 98 A D E -Bc 154 131A 49 56,-2.7 56,-2.5 -2,-0.4 2,-0.3 -0.921 10.3-176.2-131.4 110.8 1.0 4.9 -7.4 99 99 A A E -Bc 153 132A 0 32,-2.6 34,-1.8 -2,-0.4 2,-0.5 -0.816 10.8-158.5-105.0 141.0 -2.0 3.8 -9.5 100 100 A T E -Bc 152 133A 41 52,-3.4 52,-2.7 -2,-0.3 2,-0.5 -0.982 7.1-160.1-121.5 119.8 -2.3 0.6 -11.6 101 101 A L E -Bc 151 134A 2 32,-2.9 34,-2.4 -2,-0.5 2,-0.6 -0.855 3.2-155.9 -98.7 131.1 -4.7 0.4 -14.4 102 102 A I E +Bc 150 135A 27 48,-3.0 48,-2.0 -2,-0.5 2,-0.3 -0.932 32.9 144.0-110.9 116.0 -5.9 -2.9 -15.7 103 103 A L - 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