==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 27-APR-07 2UZH . COMPND 2 MOLECULE: 2C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM SMEGMATIS; . AUTHOR L.BUETOW,A.C.BROWN,T.PARISH,W.N.HUNTER . 461 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17510.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 309 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 89 19.3 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 0.7 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 . 29 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 25.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.8 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 3 0 0 0 0 0 0 3 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 . 2 0 2 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 3 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 3 A L 0 0 117 0, 0.0 152,-0.3 0, 0.0 462,-0.0 0.000 360.0 360.0 360.0 146.3 62.8 67.3 38.5 2 4 A P - 0 0 16 0, 0.0 2,-0.4 0, 0.0 150,-0.2 -0.343 360.0-123.4 -73.8 163.5 64.2 63.9 37.5 3 5 A R E -A 151 0A 50 148,-3.4 148,-2.6 400,-0.1 2,-0.3 -0.934 15.5-151.4-117.0 138.8 63.7 62.8 33.8 4 6 A V E +A 150 0A 0 -2,-0.4 2,-0.3 146,-0.2 146,-0.2 -0.713 15.2 179.0-104.1 149.8 62.1 59.7 32.4 5 7 A G E -A 149 0A 0 144,-1.9 144,-1.8 -2,-0.3 2,-0.3 -0.961 9.6-158.5-145.5 163.7 63.0 57.9 29.2 6 8 A L E -A 148 0A 2 -2,-0.3 2,-0.3 40,-0.3 142,-0.2 -0.981 6.0-174.7-145.0 149.0 61.8 54.8 27.3 7 9 A G E -A 147 0A 0 140,-2.6 140,-2.8 -2,-0.3 2,-0.3 -0.992 0.2-174.5-147.3 141.3 63.3 52.6 24.6 8 10 A T E +A 146 0A 20 -2,-0.3 2,-0.3 138,-0.2 138,-0.2 -0.933 3.9 179.3-131.0 161.0 62.0 49.6 22.5 9 11 A D E -A 145 0A 11 136,-1.9 136,-2.2 -2,-0.3 2,-0.4 -0.962 9.8-166.9-161.4 147.0 63.6 47.3 20.1 10 12 A V E +A 144 0A 23 431,-0.4 134,-0.2 -2,-0.3 431,-0.1 -1.000 10.2 176.9-136.6 133.2 62.7 44.3 17.9 11 13 A H E -A 143 0A 15 132,-2.7 132,-2.4 -2,-0.4 2,-0.1 -0.991 30.9-112.0-134.1 148.2 65.0 41.8 16.0 12 14 A P E -A 142 0A 31 0, 0.0 21,-2.4 0, 0.0 2,-0.4 -0.442 32.7-118.9 -73.1 150.2 64.3 38.7 14.0 13 15 A I B -D 32 0B 35 128,-1.8 2,-0.4 19,-0.2 19,-0.3 -0.734 27.2-159.5 -87.9 137.3 65.5 35.3 15.3 14 16 A E > - 0 0 103 17,-3.6 3,-0.9 -2,-0.4 17,-0.3 -0.981 19.5-118.6-124.8 126.4 68.1 33.5 13.2 15 17 A A T 3 S+ 0 0 87 -2,-0.4 14,-0.0 1,-0.2 15,-0.0 -0.373 97.3 13.1 -61.7 134.2 68.8 29.7 13.4 16 18 A G T 3 S+ 0 0 72 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 -0.007 92.4 126.7 90.6 -30.0 72.4 28.9 14.5 17 19 A R S < S- 0 0 78 -3,-0.9 14,-0.4 14,-0.2 2,-0.3 -0.316 70.2-103.6 -59.9 138.7 73.2 32.5 15.6 18 20 A P - 0 0 63 0, 0.0 2,-1.2 0, 0.0 14,-0.4 -0.536 32.7-121.8 -65.7 128.3 74.6 32.8 19.2 19 21 A C E +E 26 0C 3 10,-0.7 7,-2.7 7,-0.6 2,-0.6 -0.614 36.3 173.7 -77.6 96.6 72.0 34.1 21.7 20 22 A R E +E 25 0C 86 -2,-1.2 2,-0.3 16,-0.6 19,-0.3 -0.949 16.8 153.6-100.7 118.0 73.5 37.2 23.2 21 23 A L E > +E 24 0C 1 3,-2.0 3,-1.9 -2,-0.6 17,-0.1 -0.985 61.4 1.9-150.3 132.4 70.7 38.7 25.3 22 24 A L T 3 S- 0 0 0 -2,-0.3 94,-0.2 1,-0.3 3,-0.1 0.774 126.8 -64.9 61.2 26.5 70.8 41.0 28.4 23 25 A C T 3 S+ 0 0 32 1,-0.3 -1,-0.3 92,-0.1 2,-0.3 0.723 117.6 105.2 63.0 24.7 74.6 41.0 28.0 24 26 A L E < S-E 21 0C 10 -3,-1.9 -3,-2.0 2,-0.0 2,-0.5 -0.809 71.2-121.0-118.8 166.4 74.7 37.2 28.8 25 27 A E E -E 20 0C 91 -2,-0.3 2,-0.9 -5,-0.2 -5,-0.2 -0.958 13.7-166.0-108.5 122.2 75.2 34.2 26.5 26 28 A F E > -E 19 0C 6 -7,-2.7 2,-2.5 -2,-0.5 3,-1.1 -0.842 6.6-172.8-102.0 88.2 72.4 31.7 26.3 27 29 A D T 3 S+ 0 0 127 -2,-0.9 3,-0.1 1,-0.3 -7,-0.0 -0.399 77.2 67.3 -80.4 66.8 74.5 29.0 24.6 28 30 A D T 3 S+ 0 0 137 -2,-2.5 -1,-0.3 1,-0.5 2,-0.2 0.480 95.5 30.2-166.1 -64.8 71.2 27.4 24.5 29 31 A A S < S- 0 0 14 -3,-1.1 -10,-0.7 -10,-0.1 -1,-0.5 -0.562 86.8 -61.6-114.9 176.1 68.7 29.1 22.2 30 32 A D - 0 0 48 -2,-0.2 -15,-0.1 1,-0.1 72,-0.1 -0.837 43.6-131.6 -85.7 142.6 68.7 31.2 19.0 31 33 A G - 0 0 0 -2,-0.4 -17,-3.6 -14,-0.4 2,-0.3 0.080 11.9-105.8 114.5 93.7 69.9 33.9 18.5 32 34 A C B D 13 0B 5 -14,-0.4 -19,-0.2 4,-0.4 -12,-0.1 -0.734 360.0 360.0-100.3 146.5 69.1 37.3 17.0 33 35 A A 0 0 44 -21,-2.4 3,-0.1 -2,-0.3 -1,-0.0 -0.455 360.0 360.0-107.6 360.0 70.2 38.8 13.7 34 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 35 38 A S 0 0 65 0, 0.0 37,-0.1 0, 0.0 34,-0.0 0.000 360.0 360.0 360.0 -87.5 75.2 44.0 16.2 36 39 A D - 0 0 25 35,-0.4 -16,-0.6 -3,-0.1 -4,-0.4 0.251 360.0-112.4 -93.8 6.5 75.2 40.9 18.4 37 40 A G + 0 0 2 1,-0.2 2,-1.8 -6,-0.1 3,-0.1 0.680 58.9 161.1 70.4 21.9 71.4 41.2 18.3 38 41 A D > + 0 0 0 1,-0.2 4,-2.3 -17,-0.1 3,-0.2 -0.535 12.5 179.3 -77.0 85.5 71.0 42.0 22.0 39 42 A V H > S+ 0 0 0 -2,-1.8 4,-2.3 -19,-0.3 -1,-0.2 0.839 79.1 52.1 -56.4 -37.8 67.5 43.5 21.8 40 43 A A H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.870 108.3 49.6 -70.6 -39.2 67.5 44.2 25.6 41 44 A A H > S+ 0 0 0 -3,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.902 112.7 49.1 -63.6 -40.8 70.9 46.0 25.5 42 45 A H H X S+ 0 0 11 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.918 110.3 48.5 -65.5 -47.8 69.6 48.2 22.6 43 46 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 104,-0.2 0.916 112.6 50.3 -57.5 -44.3 66.2 49.0 24.3 44 47 A L H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.890 108.9 50.7 -62.9 -42.9 68.2 50.0 27.5 45 48 A C H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.961 111.2 49.2 -58.9 -50.4 70.6 52.2 25.6 46 49 A D H X S+ 0 0 5 -4,-2.5 4,-2.2 1,-0.2 -40,-0.3 0.845 109.0 52.3 -56.9 -36.8 67.6 54.0 23.9 47 50 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 102,-0.2 0.917 112.4 45.4 -66.2 -42.0 65.9 54.5 27.3 48 51 A L H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.922 114.2 47.6 -67.9 -44.8 69.0 56.1 28.8 49 52 A L H <>S+ 0 0 0 -4,-2.6 5,-3.0 2,-0.2 4,-0.5 0.903 112.8 48.7 -63.7 -44.7 69.6 58.3 25.8 50 53 A S H ><5S+ 0 0 0 -4,-2.2 3,-1.0 -5,-0.2 -2,-0.2 0.912 108.8 52.2 -65.4 -42.0 66.0 59.5 25.6 51 54 A A H 3<5S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.880 114.9 44.0 -54.9 -39.5 65.9 60.3 29.4 52 55 A A T 3<5S- 0 0 7 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.470 112.6-120.4 -87.9 -4.3 69.0 62.4 28.9 53 56 A G T < 5S+ 0 0 28 -3,-1.0 -3,-0.2 -4,-0.5 -4,-0.1 0.813 73.2 128.1 69.7 34.2 67.8 64.0 25.7 54 57 A L < - 0 0 50 -5,-3.0 2,-0.3 1,-0.3 -4,-0.2 0.253 66.7-110.1-108.5 10.9 70.7 62.7 23.6 55 58 A G - 0 0 2 -6,-0.4 -1,-0.3 -5,-0.1 2,-0.2 -0.732 41.2 -72.0 102.0-152.7 69.1 61.0 20.6 56 59 A D > - 0 0 13 -2,-0.3 4,-1.8 -7,-0.1 5,-0.2 -0.664 57.7 -72.3-132.6-170.5 68.9 57.3 19.9 57 60 A L H > S+ 0 0 31 1,-0.2 4,-3.0 -2,-0.2 5,-0.4 0.832 130.0 52.9 -58.6 -36.4 71.2 54.5 18.7 58 61 A G H > S+ 0 0 44 381,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.916 106.8 52.4 -66.7 -45.0 71.4 56.0 15.2 59 62 A T H 4 S+ 0 0 56 1,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.912 121.7 31.6 -49.6 -45.2 72.3 59.4 16.5 60 63 A I H < S+ 0 0 22 -4,-1.8 -2,-0.2 1,-0.1 -1,-0.2 0.809 131.1 27.2 -96.1 -33.8 75.2 57.9 18.5 61 64 A F H X S- 0 0 17 -4,-3.0 4,-0.7 1,-0.2 -3,-0.2 0.409 92.7-156.6-108.1 -0.7 76.5 54.9 16.6 62 65 A G T < - 0 0 22 -4,-1.3 2,-0.5 -5,-0.4 -1,-0.2 -0.073 39.5 -52.5 55.0-161.3 75.5 56.2 13.2 63 66 A T T 4 S- 0 0 139 1,-0.2 -1,-0.1 -4,-0.1 -5,-0.0 -0.967 113.9 -20.8-115.3 127.0 75.0 53.6 10.4 64 67 A D T 4 S+ 0 0 120 -2,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.818 82.8 179.2 38.9 44.0 77.8 51.2 9.7 65 68 A R >X - 0 0 100 -4,-0.7 3,-1.1 1,-0.1 4,-0.9 -0.513 31.6-130.2 -64.0 133.4 80.3 53.5 11.4 66 69 A P G >4 S+ 0 0 81 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.891 102.4 54.0 -61.6 -36.8 83.7 51.8 11.2 67 70 A Q G 34 S+ 0 0 132 1,-0.2 -2,-0.0 3,-0.0 -3,-0.0 0.685 114.4 40.0 -75.5 -15.0 84.5 52.2 14.9 68 71 A W G X4 S+ 0 0 69 -3,-1.1 3,-2.4 -7,-0.2 2,-0.4 0.398 77.3 131.5-112.2 1.5 81.3 50.6 16.1 69 72 A R T << S+ 0 0 148 -4,-0.9 0, 0.0 -3,-0.7 0, 0.0 -0.408 87.6 3.9 -54.9 110.0 81.1 47.8 13.6 70 73 A G T 3 S+ 0 0 67 -2,-0.4 -1,-0.3 1,-0.3 2,-0.1 0.631 86.8 164.0 86.1 16.5 80.4 44.8 15.7 71 74 A A < - 0 0 9 -3,-2.4 -35,-0.4 1,-0.1 -1,-0.3 -0.434 33.4-129.7 -60.9 133.7 80.1 46.5 19.1 72 75 A S > - 0 0 33 -2,-0.1 4,-1.8 -37,-0.1 5,-0.1 -0.203 23.5-101.4 -78.0 177.9 78.5 44.3 21.6 73 76 A G H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.913 125.0 51.0 -65.7 -44.2 75.6 45.3 23.8 74 77 A A H > S+ 0 0 19 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.875 107.8 52.7 -58.4 -43.0 77.9 45.8 26.8 75 78 A D H > S+ 0 0 64 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.912 111.3 48.4 -56.6 -45.4 80.2 48.1 24.6 76 79 A M H X S+ 0 0 14 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.936 112.5 44.6 -66.6 -47.8 77.1 50.1 23.7 77 80 A I H X S+ 0 0 0 -4,-2.6 4,-3.5 2,-0.2 5,-0.3 0.926 109.4 57.2 -66.9 -39.9 75.8 50.6 27.2 78 81 A R H X S+ 0 0 128 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.916 112.6 42.2 -50.2 -47.4 79.3 51.4 28.5 79 82 A H H X S+ 0 0 59 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.910 114.0 50.8 -68.7 -44.2 79.5 54.3 26.0 80 83 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.929 107.7 53.2 -59.9 -47.8 75.9 55.4 26.6 81 84 A R H X S+ 0 0 83 -4,-3.5 4,-2.4 1,-0.2 -1,-0.2 0.924 110.4 49.0 -50.6 -47.4 76.5 55.5 30.4 82 85 A G H X S+ 0 0 23 -4,-1.7 4,-2.1 -5,-0.3 -2,-0.2 0.886 109.8 50.0 -61.7 -41.9 79.5 57.8 29.7 83 86 A L H X S+ 0 0 48 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.893 111.8 49.2 -62.4 -40.5 77.5 60.1 27.4 84 87 A V H <>S+ 0 0 0 -4,-2.4 5,-1.8 2,-0.2 -2,-0.2 0.908 112.3 45.9 -66.9 -45.3 74.8 60.4 30.0 85 88 A E H ><5S+ 0 0 82 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.877 111.3 53.6 -68.0 -34.7 77.1 61.2 32.9 86 89 A N H 3<5S+ 0 0 142 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.763 99.4 61.1 -68.6 -30.2 79.0 63.7 30.7 87 90 A A T 3<5S- 0 0 50 -4,-1.4 -1,-0.3 -3,-0.1 -2,-0.2 0.428 128.4-100.8 -75.2 -1.0 75.8 65.5 29.9 88 91 A G T < 5S+ 0 0 33 -3,-1.2 66,-3.3 1,-0.3 2,-0.3 0.688 79.0 131.9 95.1 22.4 75.6 66.1 33.7 89 92 A F E < -B 153 0A 26 -5,-1.8 2,-0.4 64,-0.2 -1,-0.3 -0.816 46.8-146.7-110.4 146.8 73.1 63.5 34.7 90 93 A V E -B 152 0A 76 62,-3.4 62,-2.5 -2,-0.3 2,-0.6 -0.925 25.7-127.2-102.7 132.2 73.2 60.8 37.4 91 94 A I E -B 151 0A 15 -2,-0.4 60,-0.2 60,-0.2 3,-0.1 -0.741 24.6-176.9 -83.2 121.3 71.4 57.6 36.5 92 95 A G E - 0 0 15 58,-2.7 2,-0.3 -2,-0.6 59,-0.2 0.957 58.4 -40.7 -77.9 -62.1 68.8 56.6 39.1 93 96 A N E -B 150 0A 0 57,-1.2 57,-2.3 29,-0.2 -1,-0.3 -0.967 48.0-155.8-158.8 166.4 67.5 53.2 37.8 94 97 A A E -Bc 149 124A 0 29,-2.1 31,-2.4 -2,-0.3 2,-0.3 -0.971 6.3-162.3-146.0 158.7 66.6 51.4 34.6 95 98 A T E -Bc 148 125A 4 53,-2.2 53,-1.5 -2,-0.3 2,-0.3 -0.981 2.2-168.9-139.1 151.3 64.4 48.5 33.8 96 99 A V E -Bc 147 126A 2 29,-2.3 31,-2.2 -2,-0.3 2,-0.5 -0.979 5.6-161.5-145.0 131.7 64.1 46.2 30.8 97 100 A Q E -Bc 146 127A 2 49,-3.1 49,-1.9 -2,-0.3 2,-0.4 -0.962 13.4-146.3-110.3 123.1 61.4 43.6 29.9 98 101 A V E -Bc 145 128A 5 29,-2.7 31,-2.3 -2,-0.5 2,-0.6 -0.705 10.3-157.3 -82.8 135.4 62.2 40.9 27.3 99 102 A I E +Bc 144 129A 24 45,-3.2 45,-2.1 -2,-0.4 2,-0.3 -0.922 46.5 75.1-119.5 106.1 59.3 39.8 25.1 100 103 A G S S- 0 0 9 29,-2.3 38,-0.1 -2,-0.6 43,-0.1 -0.932 75.9 -99.0 169.1 171.7 59.5 36.4 23.6 101 104 A N S S+ 0 0 45 36,-0.7 -1,-0.1 -2,-0.3 37,-0.1 0.927 84.8 68.8 -78.6 -51.4 59.4 32.6 24.0 102 105 A R S S+ 0 0 104 -72,-0.1 -1,-0.2 2,-0.1 2,-0.2 -0.970 77.0 36.0-135.1 147.2 63.0 31.6 24.3 103 106 A P S S- 0 0 9 0, 0.0 2,-0.6 0, 0.0 -3,-0.0 0.560 78.8-127.3 -74.7 167.4 65.4 31.8 26.0 104 107 A K - 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