==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 18-DEC-01 1KNK . COMPND 2 MOLECULE: 2C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE SYNTH . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.B.RICHARD,J.L.FERRER,M.E.BOWMAN,A.M.LILLO,C.N.TETZLAFF,D.E . 156 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7933.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 93 59.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 16.0 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 . 1 0.6 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 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 21.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.6 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 0 0 0 0 1 0 0 0 0 0 2 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 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 . 1 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 M 0 0 167 0, 0.0 2,-0.4 0, 0.0 154,-0.2 0.000 360.0 360.0 360.0 -25.2 30.0 28.8 35.4 2 2 A R E -A 154 0A 89 152,-0.7 152,-1.5 2,-0.0 2,-0.3 -0.971 360.0-162.1-140.7 124.0 27.4 26.2 34.8 3 3 A I E -A 153 0A 130 -2,-0.4 2,-0.3 150,-0.2 150,-0.2 -0.762 9.4-173.2-103.4 149.2 25.8 25.2 31.4 4 4 A G E -A 152 0A 6 148,-1.8 148,-1.7 -2,-0.3 2,-0.4 -0.975 9.2-159.3-141.6 155.5 22.5 23.3 30.9 5 5 A H E -A 151 0A 102 -2,-0.3 2,-0.3 41,-0.3 146,-0.2 -0.995 8.2-174.5-139.7 133.8 20.6 21.8 28.0 6 6 A G E +A 150 0A 2 144,-3.6 144,-2.3 -2,-0.4 2,-0.3 -0.870 3.8 179.9-125.9 159.5 16.9 20.8 27.6 7 7 A F E +A 149 0A 106 -2,-0.3 2,-0.3 142,-0.2 142,-0.2 -0.963 7.9 163.1-157.3 137.5 14.9 19.1 25.1 8 8 A D E -A 148 0A 31 140,-2.6 140,-2.8 -2,-0.3 2,-0.3 -0.981 11.2-170.1-159.1 145.1 11.2 18.2 24.8 9 9 A V E -A 147 0A 51 -2,-0.3 2,-0.3 138,-0.2 138,-0.3 -0.975 2.3-170.8-137.9 152.6 8.5 17.2 22.4 10 10 A H E -A 146 0A 35 136,-3.0 136,-3.5 -2,-0.3 2,-0.3 -0.994 17.9-126.6-142.8 150.2 4.8 16.7 22.3 11 11 A A E -A 145 0A 47 -2,-0.3 21,-2.8 134,-0.3 134,-0.3 -0.670 24.4-115.4 -99.3 150.8 2.2 15.3 20.0 12 12 A F B +D 31 0B 24 132,-1.9 19,-0.2 -2,-0.3 -1,-0.1 -0.248 53.2 112.8 -77.5 166.2 -1.0 16.9 18.6 13 13 A G + 0 0 31 17,-1.9 16,-0.1 3,-0.1 -2,-0.0 0.063 41.9 71.7 135.0 114.6 -4.5 15.9 19.2 14 14 A G S S- 0 0 51 14,-0.1 2,-1.0 -2,-0.0 17,-0.1 0.675 72.6-120.9 132.6 25.0 -7.5 17.5 21.0 15 15 A E S S+ 0 0 161 15,-0.2 12,-0.1 3,-0.0 -2,-0.1 -0.250 76.3 102.8 52.6 -91.0 -9.0 20.5 19.3 16 16 A G S S- 0 0 32 -2,-1.0 -3,-0.1 14,-0.1 0, 0.0 0.471 83.9 -74.4 -16.3 159.6 -8.5 23.1 22.0 17 17 A P - 0 0 61 0, 0.0 14,-0.4 0, 0.0 2,-0.3 -0.045 46.9-124.1 -58.8 164.0 -5.8 25.8 21.9 18 18 A I E -E 25 0C 2 7,-2.3 7,-2.8 12,-0.2 2,-0.5 -0.736 13.2-136.5-110.2 162.8 -2.1 24.9 22.7 19 19 A I E +E 24 0C 49 -2,-0.3 2,-0.4 18,-0.3 20,-0.3 -0.978 26.4 166.7-125.8 123.7 0.1 26.5 25.3 20 20 A I E > S-E 23 0C 0 3,-2.0 3,-1.3 -2,-0.5 18,-0.1 -0.972 73.6 -3.7-139.2 121.5 3.7 27.4 24.6 21 21 A G T 3 S- 0 0 0 -2,-0.4 95,-0.2 1,-0.3 94,-0.2 0.777 129.5 -61.7 69.4 25.1 5.9 29.6 26.8 22 22 A G T 3 S+ 0 0 19 1,-0.3 2,-0.4 93,-0.1 -1,-0.3 0.399 110.7 123.8 81.5 -2.0 2.8 30.0 29.0 23 23 A V E < -E 20 0C 14 -3,-1.3 -3,-2.0 85,-0.0 2,-0.8 -0.757 62.8-128.4 -97.7 136.8 0.9 31.7 26.1 24 24 A R E -E 19 0C 179 -2,-0.4 -5,-0.2 -5,-0.2 -1,-0.0 -0.729 30.5-170.2 -85.0 112.5 -2.4 30.4 24.9 25 25 A I E -E 18 0C 2 -7,-2.8 -7,-2.3 -2,-0.8 2,-0.2 -0.865 20.2-123.9-108.6 133.8 -2.2 30.0 21.1 26 26 A P + 0 0 97 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.519 45.7 145.7 -74.7 141.1 -5.1 29.3 18.8 27 27 A Y - 0 0 51 -2,-0.2 -2,-0.0 -12,-0.1 75,-0.0 -0.924 58.9-104.1-174.0 148.4 -4.8 26.3 16.5 28 28 A E S S+ 0 0 146 -2,-0.3 2,-0.2 -11,-0.0 -1,-0.1 0.873 104.9 23.1 -37.7 -59.7 -6.8 23.4 14.9 29 29 A K S S- 0 0 63 -15,-0.1 2,-0.2 -3,-0.1 -11,-0.1 -0.582 74.2-137.1-109.6 171.8 -5.5 20.8 17.4 30 30 A G - 0 0 4 -2,-0.2 -17,-1.9 -12,-0.1 2,-0.4 -0.588 30.9 -92.4-117.1-178.2 -4.2 20.9 20.9 31 31 A L B -D 12 0B 25 -14,-0.4 6,-0.4 -19,-0.2 -19,-0.2 -0.834 27.6-145.5-103.5 138.0 -1.3 19.2 22.6 32 32 A L > + 0 0 102 -21,-2.8 5,-0.7 -2,-0.4 3,-0.3 0.708 45.3 123.0 -64.7-123.0 -1.6 15.8 24.4 33 33 A A T 5S- 0 0 29 1,-0.2 2,-1.3 3,-0.1 4,-0.3 0.572 71.9-106.8 68.2 134.5 0.6 15.3 27.4 34 34 A H T 5S+ 0 0 184 2,-0.1 2,-0.2 3,-0.0 -1,-0.2 -0.488 110.5 39.2 -94.1 63.7 -0.8 14.5 30.9 35 35 A S T 5S- 0 0 25 -2,-1.3 2,-0.3 -3,-0.3 37,-0.1 -0.662 126.2 -62.3 167.4 154.5 0.0 18.1 32.0 36 36 A D T 5 - 0 0 41 35,-0.3 2,-3.1 -2,-0.2 37,-0.2 -0.414 60.8-121.2 -58.5 115.8 -0.5 21.1 29.8 37 37 A G < + 0 0 6 -5,-0.7 2,-1.5 -6,-0.4 -18,-0.3 -0.269 49.2 161.7 -61.4 68.8 2.0 20.2 27.0 38 38 A D > + 0 0 0 -2,-3.1 4,-2.7 1,-0.2 5,-0.3 -0.625 9.6 175.7 -92.2 79.0 4.2 23.3 27.3 39 39 A V H > S+ 0 0 0 -2,-1.5 4,-2.3 -20,-0.3 5,-0.2 0.852 76.0 58.3 -49.8 -38.7 7.2 22.0 25.5 40 40 A A H > S+ 0 0 4 -21,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.963 111.3 37.2 -60.6 -54.7 8.9 25.4 25.8 41 41 A L H > S+ 0 0 2 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.918 114.7 55.6 -65.4 -41.6 8.8 25.6 29.6 42 42 A H H X S+ 0 0 14 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.907 110.9 44.7 -57.3 -42.5 9.5 21.9 30.0 43 43 A A H X S+ 0 0 0 -4,-2.3 4,-1.5 -5,-0.3 -1,-0.2 0.828 113.6 51.1 -70.8 -31.3 12.7 22.2 28.0 44 44 A L H X S+ 0 0 0 -4,-1.7 4,-2.4 -5,-0.2 -2,-0.2 0.906 109.3 49.6 -71.0 -42.5 13.6 25.4 29.8 45 45 A T H X S+ 0 0 1 -4,-3.1 4,-3.4 1,-0.2 5,-0.3 0.942 109.8 51.4 -61.5 -48.8 13.1 23.8 33.2 46 46 A D H X S+ 0 0 28 -4,-2.1 4,-2.8 -5,-0.2 -41,-0.3 0.843 109.2 51.0 -56.9 -38.5 15.3 20.8 32.2 47 47 A A H X S+ 0 0 0 -4,-1.5 4,-1.5 2,-0.2 -42,-0.3 0.979 113.1 44.3 -63.3 -55.3 18.0 23.1 31.1 48 48 A L H >X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 3,-0.6 0.934 118.5 43.6 -54.1 -52.2 18.0 25.1 34.3 49 49 A L H 3X>S+ 0 0 3 -4,-3.4 5,-2.3 1,-0.2 4,-0.6 0.905 111.7 53.5 -62.3 -43.0 17.8 21.9 36.4 50 50 A G H 3<5S+ 0 0 37 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.711 108.4 50.1 -66.1 -20.9 20.4 20.1 34.4 51 51 A A H <<5S+ 0 0 1 -4,-1.5 -1,-0.2 -3,-0.6 -2,-0.2 0.805 111.0 47.8 -85.3 -31.1 22.9 22.9 34.8 52 52 A A H <5S- 0 0 0 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.501 114.5-123.4 -82.7 -5.7 22.3 22.9 38.6 53 53 A A T <5S+ 0 0 58 -4,-0.6 -3,-0.2 -5,-0.2 -4,-0.1 0.948 73.1 126.7 61.8 51.7 22.8 19.2 38.4 54 54 A L < - 0 0 48 -5,-2.3 2,-0.5 1,-0.2 -4,-0.2 0.243 69.0-100.6-122.1 11.2 19.4 18.4 40.0 55 55 A G - 0 0 33 -6,-0.3 -1,-0.2 1,-0.1 -2,-0.1 -0.922 40.6 -72.0 121.9-133.9 17.8 16.0 37.5 56 56 A D S S- 0 0 92 -2,-0.5 -10,-0.1 -7,-0.1 -1,-0.1 -0.083 80.3 -62.1-173.1 57.2 15.2 16.5 34.8 57 57 A I S S+ 0 0 28 -12,-0.1 -2,-0.1 1,-0.1 -11,-0.1 0.974 115.3 88.8 51.9 79.6 11.6 17.0 36.0 58 58 A G S S+ 0 0 31 5,-0.0 -1,-0.1 0, 0.0 5,-0.1 0.044 78.1 65.4 173.9 10.0 11.1 13.8 37.8 59 59 A K S S+ 0 0 126 3,-0.1 -4,-0.1 2,-0.1 0, 0.0 0.593 126.4 8.6-113.2 -33.5 12.5 15.2 41.0 60 60 A L S S+ 0 0 3 1,-0.1 8,-0.4 2,-0.1 16,-0.0 0.641 142.2 37.0-116.4 -36.5 9.7 17.6 41.5 61 61 A F + 0 0 24 6,-0.1 -1,-0.1 1,-0.1 -2,-0.1 -0.627 70.0 151.8-121.5 72.9 7.3 16.4 38.7 62 62 A P - 0 0 38 0, 0.0 -3,-0.1 0, 0.0 -1,-0.1 0.816 49.1-119.0 -64.7-109.0 7.5 12.6 38.5 63 63 A D S S+ 0 0 121 -5,-0.1 -5,-0.0 0, 0.0 -2,-0.0 0.225 100.1 37.4-169.7 -31.8 4.3 11.0 37.1 64 64 A T S S+ 0 0 133 5,-0.0 5,-0.1 1,-0.0 -3,-0.0 -0.251 91.5 100.4-129.0 43.7 3.0 8.7 39.9 65 65 A D > - 0 0 80 3,-0.1 3,-0.5 1,-0.0 -1,-0.0 -0.947 66.7-140.6-136.0 113.6 3.8 10.8 43.0 66 66 A P T 3 S+ 0 0 118 0, 0.0 3,-0.4 0, 0.0 4,-0.1 0.398 85.9 89.6 -50.7 1.5 1.2 12.9 44.8 67 67 A A T 3 S- 0 0 60 1,-0.2 2,-0.5 2,-0.1 -6,-0.1 0.995 110.3 -2.6 -63.4 -75.5 3.8 15.6 45.3 68 68 A F S < S+ 0 0 63 -3,-0.5 -1,-0.2 -8,-0.4 3,-0.2 -0.716 86.9 141.7-120.5 77.3 3.2 17.7 42.1 69 69 A K + 0 0 102 -2,-0.5 2,-0.9 -3,-0.4 -1,-0.1 0.961 67.2 27.3 -79.3 -81.2 0.6 15.7 40.2 70 70 A G S S+ 0 0 79 -4,-0.1 2,-0.3 -35,-0.1 -1,-0.3 -0.769 85.7 120.2 -92.6 106.5 -1.8 18.2 38.5 71 71 A A - 0 0 18 -2,-0.9 -35,-0.3 -3,-0.2 2,-0.1 -0.979 56.4-110.7-160.6 150.3 -0.0 21.5 37.8 72 72 A D >> - 0 0 57 -2,-0.3 4,-1.5 -37,-0.1 3,-0.7 -0.342 37.3-104.7 -80.5 167.2 0.8 23.7 34.8 73 73 A S H 3> S+ 0 0 0 1,-0.2 4,-2.7 -37,-0.2 5,-0.2 0.821 116.8 62.9 -61.4 -33.5 4.3 24.2 33.5 74 74 A R H 3> S+ 0 0 46 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.851 104.0 47.8 -62.0 -36.5 4.5 27.7 35.0 75 75 A E H <> S+ 0 0 95 -3,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.929 113.4 46.9 -69.8 -46.3 4.2 26.3 38.5 76 76 A L H X S+ 0 0 0 -4,-1.5 4,-3.6 2,-0.2 5,-0.2 0.881 112.1 49.9 -62.2 -42.9 6.8 23.6 38.0 77 77 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.963 112.5 48.4 -59.6 -50.2 9.3 26.1 36.4 78 78 A R H X S+ 0 0 100 -4,-1.9 4,-1.0 -5,-0.2 -2,-0.2 0.802 115.2 44.5 -58.3 -35.0 8.7 28.4 39.3 79 79 A E H X S+ 0 0 41 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.913 112.3 50.8 -76.7 -47.7 9.2 25.5 41.8 80 80 A A H X S+ 0 0 0 -4,-3.6 4,-1.9 1,-0.2 -2,-0.2 0.893 108.9 53.1 -56.6 -41.4 12.3 24.1 40.0 81 81 A W H X S+ 0 0 13 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.859 104.6 55.7 -63.8 -36.1 13.8 27.6 40.0 82 82 A R H X S+ 0 0 140 -4,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.954 108.4 46.1 -62.1 -50.5 13.3 27.9 43.8 83 83 A R H X S+ 0 0 77 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.864 110.3 55.7 -59.7 -37.0 15.3 24.7 44.4 84 84 A I H <>S+ 0 0 0 -4,-1.9 5,-1.3 1,-0.2 3,-0.3 0.925 108.6 45.7 -64.2 -42.8 18.0 25.9 42.0 85 85 A Q H ><5S+ 0 0 98 -4,-2.3 3,-2.3 1,-0.2 -1,-0.2 0.836 103.0 66.6 -69.1 -28.7 18.4 29.1 44.0 86 86 A A H 3<5S+ 0 0 76 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.916 97.1 53.4 -56.9 -42.5 18.4 27.0 47.1 87 87 A K T 3<5S- 0 0 101 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.253 129.6-102.9 -76.1 16.3 21.7 25.5 45.9 88 88 A G T < 5S+ 0 0 31 -3,-2.3 2,-0.3 1,-0.2 -3,-0.2 0.822 73.9 142.8 69.8 34.1 22.9 29.2 45.6 89 89 A Y < - 0 0 40 -5,-1.3 2,-0.3 65,-0.1 -1,-0.2 -0.782 30.1-164.8-106.9 151.1 22.6 29.6 41.9 90 90 A T - 0 0 51 -2,-0.3 65,-0.5 -6,-0.0 2,-0.1 -0.954 30.9 -95.1-131.5 151.1 21.4 32.7 40.0 91 91 A L + 0 0 24 -2,-0.3 63,-0.2 29,-0.2 3,-0.1 -0.411 34.0 173.7 -71.3 141.0 20.4 33.1 36.4 92 92 A G - 0 0 26 61,-2.4 2,-0.3 1,-0.3 62,-0.2 0.754 63.2 -51.4-105.4 -66.0 22.9 34.2 33.8 93 93 A N E -B 153 0A 74 60,-0.7 60,-1.1 2,-0.0 2,-0.3 -0.958 46.2-150.7-170.6 155.8 20.8 33.9 30.6 94 94 A V E -Bc 152 127A 1 32,-2.0 34,-2.1 -2,-0.3 2,-0.4 -0.990 2.3-161.3-137.2 148.0 18.7 31.3 28.7 95 95 A D E -Bc 151 128A 48 56,-2.0 56,-2.2 -2,-0.3 2,-0.4 -0.998 8.9-165.4-130.8 127.9 18.0 30.7 25.1 96 96 A V E -Bc 150 129A 2 32,-1.9 34,-1.8 -2,-0.4 2,-0.6 -0.948 4.7-164.3-118.6 134.8 15.0 28.7 23.8 97 97 A T E -Bc 149 130A 42 52,-3.6 52,-2.5 -2,-0.4 2,-0.4 -0.937 7.0-160.9-120.8 111.9 14.4 27.3 20.3 98 98 A I E -Bc 148 131A 0 32,-3.5 34,-2.2 -2,-0.6 2,-0.5 -0.755 4.5-158.1 -92.1 135.7 10.9 26.2 19.4 99 99 A I E +Bc 147 132A 33 48,-3.5 48,-2.2 -2,-0.4 2,-0.3 -0.942 31.9 128.2-119.2 115.4 10.6 23.8 16.5 100 100 A A - 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