==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-SEP-11 3TRG . COMPND 2 MOLECULE: ACYLPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: COXIELLA BURNETII; . AUTHOR J.CHEUNG,M.FRANKLIN,M.RUDOLPH,M.CASSIDY,E.GARY,F.BURSHTEYN,J . 95 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6003.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 63 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 28.4 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 . 1 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 5 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 22.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 1 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 1 0 1 1 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 . 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 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 X 0 0 173 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 152.0 29.6 8.0 8.0 2 2 A T > - 0 0 75 1,-0.1 4,-2.5 4,-0.0 5,-0.2 -0.333 360.0-106.1 -70.8 166.0 26.2 9.3 8.7 3 3 A Q H > S+ 0 0 120 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.924 123.1 48.7 -63.6 -42.6 23.4 7.5 6.8 4 4 A K H > S+ 0 0 132 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.910 112.0 49.5 -62.1 -41.5 22.9 10.5 4.5 5 5 A E H 4 S+ 0 0 121 1,-0.2 3,-0.4 2,-0.2 -2,-0.2 0.902 115.0 44.3 -63.2 -41.7 26.7 10.5 3.9 6 6 A K H < S+ 0 0 92 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.895 118.9 41.2 -66.6 -43.1 26.7 6.8 3.2 7 7 A N H < S+ 0 0 68 -4,-2.7 50,-0.7 -5,-0.2 2,-0.3 0.324 108.0 64.2 -97.5 5.6 23.6 6.7 1.0 8 8 A E E < +A 56 0A 55 -4,-0.8 2,-0.3 -3,-0.4 48,-0.2 -0.946 47.5 159.0-131.7 152.2 24.1 9.9 -1.1 9 9 A T E -A 55 0A 12 46,-2.3 46,-2.3 -2,-0.3 2,-0.3 -0.875 29.2-115.9-149.2-173.9 26.6 11.2 -3.7 10 10 A a E -AB 54 84A 2 74,-0.6 74,-2.5 -2,-0.3 2,-0.3 -0.967 19.0-167.5-131.2 149.1 26.8 13.8 -6.5 11 11 A I E -AB 53 83A 2 42,-2.4 42,-2.1 -2,-0.3 2,-0.4 -0.938 13.1-143.6-129.4 156.9 27.2 13.7 -10.2 12 12 A H E -AB 52 82A 47 70,-2.7 70,-2.1 -2,-0.3 2,-0.4 -0.963 25.8-173.6-116.8 138.3 28.0 16.3 -12.9 13 13 A V E -AB 51 81A 0 38,-2.7 38,-2.3 -2,-0.4 2,-0.4 -0.979 21.4-165.0-136.3 142.4 26.3 15.9 -16.3 14 14 A T E -AB 50 80A 29 66,-2.3 66,-2.7 -2,-0.4 2,-0.5 -0.992 13.6-162.7-119.7 140.0 26.3 17.4 -19.8 15 15 A V E -AB 49 79A 0 34,-2.6 34,-2.7 -2,-0.4 2,-0.3 -0.982 7.9-166.0-124.7 122.5 23.5 16.6 -22.2 16 16 A S E + B 0 78A 26 62,-2.2 61,-2.7 -2,-0.5 62,-1.4 -0.713 39.9 55.3-109.1 159.3 23.8 17.2 -25.9 17 17 A G E S- B 0 76A 36 59,-0.3 2,-1.3 -2,-0.3 59,-0.2 -0.927 103.3 -10.2 130.7-153.3 21.3 17.4 -28.8 18 18 A K E S+ B 0 75A 106 57,-2.6 57,-2.1 -2,-0.3 -2,-0.1 -0.753 79.7 139.2 -80.5 95.0 18.2 19.4 -29.5 19 19 A V + 0 0 1 -2,-1.3 5,-0.4 28,-0.2 3,-0.3 0.288 36.7 91.9-127.2 5.4 18.0 20.8 -25.9 20 20 A Q S S+ 0 0 71 1,-0.2 29,-0.0 -3,-0.1 28,-0.0 -0.793 85.0 18.0-104.3 149.1 17.0 24.4 -26.5 21 21 A G S S+ 0 0 78 -2,-0.3 -1,-0.2 1,-0.1 -3,-0.0 0.734 99.6 93.2 69.1 24.7 13.4 25.8 -26.6 22 22 A V S S- 0 0 10 -3,-0.3 52,-0.1 51,-0.0 5,-0.1 0.057 101.0-107.5-133.5 22.9 11.9 22.8 -24.9 23 23 A F > + 0 0 160 1,-0.1 4,-2.0 3,-0.1 5,-0.2 0.881 60.9 160.0 54.0 41.0 12.0 24.0 -21.3 24 24 A F H > + 0 0 2 -5,-0.4 4,-2.1 1,-0.2 5,-0.2 0.924 66.8 51.9 -62.7 -44.9 14.9 21.6 -20.6 25 25 A R H > S+ 0 0 63 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.940 111.9 45.7 -54.4 -53.3 16.1 23.4 -17.4 26 26 A E H > S+ 0 0 59 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.878 111.1 53.2 -61.1 -37.3 12.6 23.4 -15.8 27 27 A S H X S+ 0 0 22 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.862 108.6 49.6 -69.0 -35.9 12.0 19.7 -16.7 28 28 A V H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.930 110.9 49.7 -66.8 -45.6 15.3 18.6 -15.1 29 29 A R H X S+ 0 0 85 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.926 113.2 46.6 -58.9 -45.3 14.4 20.6 -11.9 30 30 A K H X S+ 0 0 126 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.925 114.4 46.4 -64.3 -45.4 11.0 19.0 -11.8 31 31 A K H X S+ 0 0 54 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.930 113.0 50.3 -62.0 -45.3 12.3 15.5 -12.4 32 32 A A H <>S+ 0 0 0 -4,-3.1 5,-2.6 1,-0.2 3,-0.3 0.918 109.8 49.9 -59.3 -46.1 15.1 16.0 -9.8 33 33 A E H ><5S+ 0 0 105 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 0.910 107.8 53.7 -60.5 -41.5 12.6 17.2 -7.2 34 34 A E H 3<5S+ 0 0 105 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.814 112.1 45.7 -62.3 -28.7 10.4 14.2 -7.9 35 35 A L T 3<5S- 0 0 28 -4,-1.5 -1,-0.3 -3,-0.3 21,-0.2 0.298 117.1-115.4 -95.0 7.7 13.4 12.0 -7.2 36 36 A Q T < 5 + 0 0 173 -3,-1.7 20,-0.4 1,-0.2 2,-0.3 0.903 65.8 146.1 57.1 45.6 14.4 14.0 -4.1 37 37 A L < - 0 0 5 -5,-2.6 2,-0.2 -8,-0.2 18,-0.2 -0.803 33.5-154.7-108.2 153.5 17.6 15.2 -5.6 38 38 A T E +C 54 0A 32 16,-2.8 16,-2.8 -2,-0.3 2,-0.4 -0.747 44.2 76.7-119.8 170.0 19.3 18.6 -5.1 39 39 A G E -Cd 53 92A 2 52,-2.6 54,-2.1 -2,-0.2 2,-0.3 -0.985 67.8 -76.5 132.6-145.3 21.7 20.6 -7.2 40 40 A W E -Cd 52 93A 22 12,-1.9 12,-2.2 -2,-0.4 2,-0.3 -0.986 23.1-155.8-157.6 161.6 21.3 22.8 -10.2 41 41 A V E +Cd 51 94A 0 52,-1.7 54,-2.8 -2,-0.3 2,-0.3 -0.999 13.3 172.2-144.8 141.9 20.7 22.9 -14.0 42 42 A K E -C 50 0A 75 8,-2.7 8,-2.6 -2,-0.3 2,-0.6 -0.958 32.4-122.1-141.6 163.5 21.5 25.4 -16.8 43 43 A N E -C 49 0A 44 -2,-0.3 2,-0.3 6,-0.2 6,-0.2 -0.950 30.6-137.2-101.7 115.5 21.4 25.6 -20.5 44 44 A L > - 0 0 51 4,-2.7 3,-2.3 -2,-0.6 2,-0.1 -0.585 33.8-101.0 -71.8 132.4 24.8 26.5 -21.8 45 45 A S T 3 S- 0 0 103 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 -0.350 101.3 -8.0 -59.7 124.8 24.4 29.2 -24.5 46 46 A H T 3 S+ 0 0 190 1,-0.2 -1,-0.3 -2,-0.1 2,-0.1 0.642 133.8 65.1 63.9 16.4 24.7 27.6 -28.0 47 47 A G S < S- 0 0 26 -3,-2.3 -1,-0.2 1,-0.2 -28,-0.2 -0.376 87.4 -33.3-141.7-147.1 25.7 24.4 -26.2 48 48 A D - 0 0 57 -3,-0.1 -4,-2.7 -2,-0.1 2,-0.4 -0.277 52.3-105.2 -83.8 165.1 24.8 21.5 -23.9 49 49 A V E -AC 15 43A 0 -34,-2.7 -34,-2.6 -6,-0.2 2,-0.4 -0.744 40.4-161.3 -81.4 139.1 22.6 21.3 -20.9 50 50 A E E +AC 14 42A 39 -8,-2.6 -8,-2.7 -2,-0.4 2,-0.3 -0.985 15.6 163.3-126.4 137.5 24.7 21.1 -17.7 51 51 A L E -AC 13 41A 0 -38,-2.3 -38,-2.7 -2,-0.4 2,-0.4 -0.991 29.9-149.7-148.5 157.0 23.7 19.9 -14.3 52 52 A V E -AC 12 40A 3 -12,-2.2 -12,-1.9 -2,-0.3 2,-0.4 -0.996 22.2-173.1-119.7 133.5 24.8 18.8 -10.9 53 53 A A E -AC 11 39A 0 -42,-2.1 -42,-2.4 -2,-0.4 2,-0.4 -0.997 2.4-175.7-131.1 132.0 22.6 16.3 -9.0 54 54 A a E +AC 10 38A 8 -16,-2.8 -16,-2.8 -2,-0.4 2,-0.3 -0.973 34.6 70.3-128.5 140.8 23.0 15.1 -5.5 55 55 A G E S-A 9 0A 5 -46,-2.3 -46,-2.3 -2,-0.4 -18,-0.1 -0.982 81.5 -3.6 154.3-157.0 21.1 12.5 -3.5 56 56 A E E > -A 8 0A 105 -20,-0.4 4,-2.3 -2,-0.3 -48,-0.2 -0.321 61.9-125.4 -66.6 146.4 20.5 8.8 -3.2 57 57 A R H > S+ 0 0 109 -50,-0.7 4,-2.8 1,-0.2 5,-0.2 0.844 107.1 56.9 -67.2 -36.1 22.1 6.7 -5.9 58 58 A D H > S+ 0 0 131 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.940 111.1 45.4 -57.8 -45.9 19.0 5.0 -7.1 59 59 A S H > S+ 0 0 21 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.916 111.2 52.7 -62.8 -45.5 17.5 8.4 -7.8 60 60 A I H X S+ 0 0 4 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.936 111.1 46.9 -53.9 -46.9 20.6 9.6 -9.5 61 61 A X H X S+ 0 0 95 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.802 109.3 52.7 -72.7 -28.3 20.6 6.6 -11.8 62 62 A I H X S+ 0 0 90 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.917 110.6 49.9 -66.8 -42.8 16.9 7.0 -12.6 63 63 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.934 107.4 52.3 -59.4 -48.7 17.7 10.6 -13.6 64 64 A T H < S+ 0 0 7 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.829 111.6 47.2 -61.2 -32.1 20.7 9.7 -15.8 65 65 A E H >< S+ 0 0 152 -4,-1.3 3,-1.3 1,-0.2 4,-0.3 0.910 110.7 51.7 -73.5 -40.8 18.5 7.3 -17.7 66 66 A W H >X S+ 0 0 40 -4,-2.3 4,-2.6 1,-0.3 3,-2.0 0.802 95.1 71.0 -64.3 -30.1 15.7 9.8 -18.1 67 67 A L T 3< S+ 0 0 0 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.722 87.7 64.4 -63.2 -19.5 18.1 12.4 -19.5 68 68 A W T <4 S+ 0 0 130 -3,-1.3 8,-0.4 -4,-0.3 -1,-0.3 0.723 113.9 33.1 -73.2 -20.9 18.3 10.4 -22.7 69 69 A E T <4 S+ 0 0 140 -3,-2.0 7,-0.3 -4,-0.3 -2,-0.2 0.864 88.6 172.9 -96.2 -56.4 14.6 11.1 -23.2 70 70 A G < - 0 0 3 -4,-2.6 3,-0.1 5,-0.1 -2,-0.1 -0.169 45.6 -33.5 73.0-173.0 14.1 14.6 -21.7 71 71 A P S > S- 0 0 15 0, 0.0 3,-1.9 0, 0.0 -47,-0.1 -0.195 89.3 -61.8 -73.6 169.7 10.9 16.6 -21.9 72 72 A P T 3 S+ 0 0 116 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.265 124.9 17.1 -55.6 137.1 8.6 16.5 -24.9 73 73 A Q T 3 S+ 0 0 169 1,-0.3 2,-0.2 -3,-0.1 -3,-0.1 0.249 92.3 128.2 83.1 -10.5 10.2 17.6 -28.1 74 74 A A < - 0 0 19 -3,-1.9 2,-0.4 -52,-0.1 -1,-0.3 -0.527 43.1-162.2 -70.5 143.4 13.7 17.3 -26.8 75 75 A A E -B 18 0A 58 -57,-2.1 -57,-2.6 -2,-0.2 2,-0.3 -0.749 10.4-164.4-129.6 85.7 16.0 15.2 -29.0 76 76 A V E +B 17 0A 26 -8,-0.4 -59,-0.3 -2,-0.4 3,-0.1 -0.533 15.9 179.0 -78.5 129.4 19.0 14.1 -26.8 77 77 A S E + 0 0 80 -61,-2.7 2,-0.3 1,-0.3 -60,-0.2 0.663 67.3 5.3-101.5 -23.9 22.1 12.8 -28.6 78 78 A N E -B 16 0A 72 -62,-1.4 -62,-2.2 -11,-0.1 2,-0.4 -0.976 48.5-158.6-160.4 148.1 24.3 12.1 -25.6 79 79 A V E -B 15 0A 12 -2,-0.3 2,-0.5 -64,-0.2 -64,-0.2 -0.989 16.4-175.4-127.8 120.0 24.4 12.1 -21.9 80 80 A N E +B 14 0A 94 -66,-2.7 -66,-2.3 -2,-0.4 2,-0.3 -0.963 13.6 165.1-120.9 114.6 27.8 12.3 -20.3 81 81 A W E -B 13 0A 100 -2,-0.5 2,-0.3 -68,-0.2 -68,-0.2 -0.918 15.7-178.7-130.2 154.2 28.1 12.0 -16.5 82 82 A E E -B 12 0A 126 -70,-2.1 -70,-2.7 -2,-0.3 2,-0.2 -0.990 33.5-110.0-145.0 150.0 30.6 11.5 -13.8 83 83 A E E -B 11 0A 111 -2,-0.3 -72,-0.3 -72,-0.2 2,-0.3 -0.526 44.1-166.8 -70.8 144.6 30.5 11.2 -10.0 84 84 A I E -B 10 0A 39 -74,-2.5 -74,-0.6 -2,-0.2 2,-0.1 -0.801 32.7 -70.7-128.9 168.9 32.1 14.2 -8.3 85 85 A V S S- 0 0 131 -2,-0.3 -76,-0.0 1,-0.1 -1,-0.0 -0.429 71.8 -95.4 -53.6 130.5 33.3 15.4 -5.0 86 86 A V - 0 0 93 -2,-0.1 2,-0.3 -78,-0.1 -1,-0.1 -0.240 42.4-167.5 -61.5 137.0 30.2 15.9 -2.9 87 87 A E - 0 0 79 -3,-0.1 2,-0.5 2,-0.0 -3,-0.0 -0.945 21.2-120.1-121.8 146.7 28.7 19.4 -2.8 88 88 A D + 0 0 158 -2,-0.3 2,-0.3 2,-0.0 -49,-0.0 -0.780 37.3 163.6 -94.9 122.5 26.0 20.5 -0.4 89 89 A Y - 0 0 47 -2,-0.5 3,-0.1 1,-0.1 -51,-0.1 -0.993 28.6-160.8-133.0 144.9 22.6 21.8 -1.7 90 90 A S S S+ 0 0 112 -2,-0.3 2,-0.2 -51,-0.1 -1,-0.1 0.643 78.6 2.7 -95.1 -18.0 19.3 22.2 0.0 91 91 A D S S- 0 0 57 -52,-0.1 -52,-2.6 2,-0.0 2,-0.5 -0.843 77.2 -96.8-150.8-176.2 17.2 22.3 -3.1 92 92 A F E -d 39 0A 5 -54,-0.3 2,-0.3 -2,-0.2 -52,-0.2 -0.975 44.9-179.4-117.7 121.8 17.3 22.0 -6.9 93 93 A R E -d 40 0A 155 -54,-2.1 -52,-1.7 -2,-0.5 2,-0.3 -0.883 29.0-122.8-123.0 149.3 17.5 25.2 -8.8 94 94 A V E d 41 0A 42 -2,-0.3 -52,-0.2 -54,-0.2 -68,-0.0 -0.655 360.0 360.0 -78.6 145.6 17.6 26.5 -12.4 95 95 A R 0 0 160 -54,-2.8 -53,-0.2 -2,-0.3 -1,-0.1 0.254 360.0 360.0-125.6 360.0 20.6 28.7 -13.2