==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-SEP-03 1ULR . COMPND 2 MOLECULE: PUTATIVE ACYLPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR H.AGO,K.HAMADA,M.SUGAHARA,C.KUROISHI,S.KURAMITSU,S.YOKOYAMA, . 87 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5127.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 62 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 28.7 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 . 6 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 23.0 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 0 0 0 0 0 0 1 0 1 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 2 0 0 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 2 A P 0 0 53 0, 0.0 46,-2.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 175.3 5.4 25.2 13.7 2 3 A R E -AB 46 76A 54 74,-2.5 74,-2.9 44,-0.2 2,-0.5 -0.950 360.0-157.8-110.4 134.0 8.7 26.3 15.4 3 4 A L E -AB 45 75A 0 42,-3.3 42,-2.2 -2,-0.4 2,-0.5 -0.938 5.5-168.6-105.5 128.5 9.4 26.0 19.1 4 5 A V E -AB 44 74A 52 70,-2.6 70,-2.3 -2,-0.5 2,-0.4 -0.982 14.2-177.5-118.7 116.4 12.1 28.3 20.5 5 6 A A E -AB 43 73A 2 38,-3.3 38,-2.5 -2,-0.5 2,-0.6 -0.931 24.2-157.7-121.8 139.0 13.1 27.4 24.0 6 7 A L E -AB 42 72A 46 66,-2.3 66,-2.3 -2,-0.4 2,-0.5 -0.972 21.1-156.6-113.3 109.2 15.5 28.9 26.6 7 8 A V E -AB 41 71A 0 34,-3.1 34,-2.0 -2,-0.6 2,-0.3 -0.800 12.2-173.8 -96.1 126.7 16.5 26.2 29.1 8 9 A K E + B 0 70A 50 62,-2.6 61,-2.5 -2,-0.5 62,-1.2 -0.882 36.9 46.6-121.0 149.1 17.7 27.2 32.5 9 10 A G E S- B 0 68A 23 -2,-0.3 2,-1.4 59,-0.3 3,-0.2 -0.920 106.7 -16.2 130.6-150.4 19.2 25.4 35.5 10 11 A R E S+ B 0 67A 144 57,-2.5 57,-2.1 -2,-0.3 -2,-0.1 -0.719 87.3 129.7 -91.0 87.2 21.9 22.7 35.9 11 12 A V + 0 0 2 -2,-1.4 2,-0.3 28,-0.4 5,-0.3 0.413 41.5 77.3-130.1 -0.4 21.9 21.8 32.2 12 13 A Q S S+ 0 0 70 -3,-0.2 29,-0.0 1,-0.2 28,-0.0 -0.894 93.8 25.4-111.7 147.9 25.5 21.9 31.0 13 14 A G S S+ 0 0 86 -2,-0.3 -1,-0.2 53,-0.0 -3,-0.0 0.600 102.2 90.3 78.0 16.7 28.0 19.1 31.6 14 15 A V S S- 0 0 27 -3,-0.3 51,-0.3 50,-0.0 52,-0.2 0.085 105.1-102.2-131.7 20.3 25.1 16.6 32.0 15 16 A G S > S+ 0 0 52 50,-0.1 4,-1.6 1,-0.1 5,-0.1 0.729 73.2 143.5 66.1 23.6 24.6 15.3 28.4 16 17 A Y H > + 0 0 4 -5,-0.3 4,-2.7 1,-0.2 5,-0.2 0.889 63.5 52.7 -62.6 -43.7 21.6 17.5 27.9 17 18 A R H > S+ 0 0 80 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.912 111.4 44.7 -62.1 -45.9 22.2 18.4 24.2 18 19 A A H > S+ 0 0 59 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.842 111.5 55.4 -67.4 -33.1 22.5 14.8 23.1 19 20 A F H X S+ 0 0 37 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.954 110.3 45.0 -59.3 -50.6 19.4 13.9 25.2 20 21 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.910 111.2 54.0 -61.8 -40.4 17.4 16.6 23.3 21 22 A Q H X S+ 0 0 61 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.925 109.1 47.7 -60.4 -45.1 18.8 15.4 20.0 22 23 A K H X S+ 0 0 122 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.918 113.3 46.4 -63.6 -46.0 17.7 11.8 20.6 23 24 A K H X S+ 0 0 49 -4,-2.2 4,-0.9 2,-0.2 -1,-0.2 0.860 113.4 51.2 -64.7 -37.4 14.2 12.8 21.7 24 25 A A H ><>S+ 0 0 0 -4,-2.5 5,-2.8 -5,-0.2 3,-0.8 0.942 110.9 45.8 -64.7 -48.2 13.9 15.2 18.7 25 26 A L H ><5S+ 0 0 91 -4,-2.5 3,-1.4 1,-0.3 -2,-0.2 0.849 105.7 59.8 -67.5 -33.3 14.9 12.7 16.1 26 27 A E H 3<5S+ 0 0 107 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.820 111.1 43.9 -61.0 -28.8 12.6 10.0 17.7 27 28 A L T <<5S- 0 0 51 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.261 117.6-112.6 -99.0 9.6 9.7 12.5 16.9 28 29 A G T < 5 + 0 0 61 -3,-1.4 2,-0.2 1,-0.2 -3,-0.2 0.774 66.5 151.1 67.0 23.8 11.0 13.4 13.4 29 30 A L < - 0 0 1 -5,-2.8 2,-0.3 -6,-0.1 -1,-0.2 -0.616 33.7-151.5 -89.0 152.2 11.8 16.9 14.6 30 31 A S E +C 46 0A 10 16,-1.8 16,-2.8 -2,-0.2 2,-0.3 -0.862 45.1 80.3-116.9 155.4 14.4 19.2 13.1 31 32 A G E -Cd 45 84A 5 52,-2.6 54,-2.1 -2,-0.3 2,-0.3 -0.993 60.8 -89.6 154.2-146.3 16.3 21.9 14.9 32 33 A Y E -Cd 44 85A 54 12,-2.3 12,-2.7 -2,-0.3 2,-0.4 -0.987 6.1-142.5-162.6 160.7 19.3 22.3 17.3 33 34 A A E -Cd 43 86A 0 52,-1.9 54,-2.2 -2,-0.3 2,-0.4 -0.973 27.7-176.5-132.6 115.0 20.4 22.5 20.9 34 35 A E E -C 42 0A 64 8,-2.9 8,-2.8 -2,-0.4 2,-0.2 -0.962 23.8-126.9-123.7 128.7 23.2 25.1 21.6 35 36 A N E -C 41 0A 36 52,-2.4 6,-0.2 -2,-0.4 5,-0.1 -0.507 24.9-149.4 -68.4 133.3 25.1 25.8 24.8 36 37 A L > - 0 0 32 4,-2.9 3,-1.9 -2,-0.2 -1,-0.0 -0.736 23.1-113.7-104.6 153.4 25.1 29.5 25.9 37 38 A P T 3 S+ 0 0 140 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 0.706 112.6 58.3 -59.9 -23.2 27.9 31.2 27.8 38 39 A D T 3 S- 0 0 96 2,-0.0 3,-0.1 1,-0.0 -3,-0.0 0.449 123.9 -97.5 -83.3 -4.0 25.8 31.8 30.9 39 40 A G S < S+ 0 0 26 -3,-1.9 -28,-0.4 1,-0.4 2,-0.1 0.274 88.2 118.5 104.2 -10.7 25.1 28.0 31.4 40 41 A R - 0 0 91 -32,-0.1 -4,-2.9 -30,-0.1 2,-0.4 -0.283 56.3-133.2 -82.3 171.8 21.7 28.1 29.7 41 42 A V E -AC 7 35A 0 -34,-2.0 -34,-3.1 -6,-0.2 2,-0.6 -0.997 4.0-146.4-130.7 129.3 20.8 26.1 26.5 42 43 A E E -AC 6 34A 60 -8,-2.8 -8,-2.9 -2,-0.4 2,-0.4 -0.862 20.9-174.8 -93.7 122.2 19.0 27.4 23.4 43 44 A V E -AC 5 33A 1 -38,-2.5 -38,-3.3 -2,-0.6 2,-0.4 -0.980 6.2-178.3-121.8 128.5 16.8 24.7 21.8 44 45 A V E +AC 4 32A 1 -12,-2.7 -12,-2.3 -2,-0.4 2,-0.3 -0.991 6.2 174.6-123.1 136.2 14.9 25.2 18.6 45 46 A A E -AC 3 31A 0 -42,-2.2 -42,-3.3 -2,-0.4 2,-0.4 -0.998 12.9-161.1-142.9 145.6 12.7 22.5 17.0 46 47 A E E +AC 2 30A 9 -16,-2.8 -16,-1.8 -2,-0.3 -44,-0.2 -0.987 42.8 78.7-129.2 135.6 10.3 22.4 14.0 47 48 A G S S- 0 0 8 -46,-2.2 -18,-0.1 -2,-0.4 -19,-0.1 -0.958 80.0 -17.3 160.6-169.9 7.5 20.0 13.3 48 49 A P > - 0 0 87 0, 0.0 4,-2.7 0, 0.0 3,-0.2 -0.275 59.8-120.7 -58.8 143.5 3.9 19.2 14.3 49 50 A K H > S+ 0 0 87 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.825 111.2 53.2 -54.2 -45.3 2.6 20.9 17.4 50 51 A E H > S+ 0 0 175 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.926 111.5 45.7 -60.7 -45.2 1.8 17.6 19.2 51 52 A A H > S+ 0 0 17 -3,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.903 111.9 52.8 -61.1 -41.9 5.3 16.3 18.6 52 53 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.871 107.7 51.1 -64.5 -35.7 6.8 19.6 19.8 53 54 A E H X S+ 0 0 98 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.888 110.1 47.9 -70.1 -36.4 4.8 19.5 22.9 54 55 A L H X S+ 0 0 85 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.915 113.5 49.4 -64.6 -44.3 6.0 16.0 23.7 55 56 A F H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.908 108.8 52.0 -57.9 -45.4 9.5 17.1 23.0 56 57 A L H X S+ 0 0 17 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.886 103.7 57.9 -60.8 -38.5 9.0 20.1 25.2 57 58 A H H X S+ 0 0 99 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.921 108.3 47.2 -55.5 -43.9 7.9 17.8 28.0 58 59 A H H >X S+ 0 0 41 -4,-1.7 4,-2.9 1,-0.2 3,-1.5 0.925 107.1 55.9 -64.4 -41.3 11.2 16.1 27.6 59 60 A L H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.835 101.6 58.3 -60.0 -33.3 13.1 19.3 27.7 60 61 A K H 3< S+ 0 0 111 -4,-1.8 -1,-0.3 -5,-0.2 8,-0.2 0.670 116.4 34.0 -72.8 -14.2 11.6 20.2 31.0 61 62 A Q H << S- 0 0 100 -3,-1.5 7,-0.5 -4,-0.5 -2,-0.2 0.832 86.3-177.0-102.9 -50.9 13.0 17.0 32.5 62 63 A G < - 0 0 11 -4,-2.9 -46,-0.1 5,-0.1 -2,-0.1 -0.032 45.0 -41.3 72.5 176.3 16.4 16.4 30.9 63 64 A P S > S- 0 0 28 0, 0.0 3,-1.8 0, 0.0 -47,-0.1 -0.208 75.5 -85.8 -69.6 170.8 18.6 13.5 31.5 64 65 A R T 3 S+ 0 0 215 1,-0.3 -2,-0.0 3,-0.1 -50,-0.0 0.698 125.0 46.9 -63.7 -21.2 19.1 12.2 35.1 65 66 A L T 3 S+ 0 0 99 -51,-0.3 -1,-0.3 -54,-0.0 2,-0.1 0.577 94.5 96.7 -92.5 -7.7 21.9 14.5 36.2 66 67 A A < - 0 0 7 -3,-1.8 2,-0.3 -52,-0.2 -55,-0.2 -0.441 56.8-161.0 -76.6 154.6 20.2 17.6 34.8 67 68 A R E -B 10 0A 126 -57,-2.1 -57,-2.5 -2,-0.1 2,-0.6 -0.815 12.3-159.0-134.2 90.2 18.1 19.9 37.0 68 69 A V E -B 9 0A 30 -7,-0.5 -59,-0.3 -2,-0.3 3,-0.1 -0.674 12.5-178.2 -78.5 115.4 15.9 21.9 34.7 69 70 A E E - 0 0 158 -61,-2.5 2,-0.3 -2,-0.6 -60,-0.2 0.870 64.9 -24.1 -74.8 -52.2 14.7 25.1 36.5 70 71 A A E -B 8 0A 45 -62,-1.2 -62,-2.6 2,-0.0 2,-0.5 -0.978 45.4-144.7-161.2 156.2 12.5 26.5 33.7 71 72 A V E -B 7 0A 26 -2,-0.3 2,-0.5 -64,-0.2 -64,-0.2 -0.943 19.2-158.5-127.5 105.6 12.1 26.4 29.9 72 73 A E E -B 6 0A 92 -66,-2.3 -66,-2.3 -2,-0.5 2,-0.3 -0.758 21.6-171.1 -86.6 124.7 10.9 29.7 28.5 73 74 A V E -B 5 0A 53 -2,-0.5 2,-0.3 -68,-0.2 -68,-0.2 -0.877 24.4-175.8-123.4 151.1 9.2 29.2 25.2 74 75 A Q E -B 4 0A 150 -70,-2.3 -70,-2.6 -2,-0.3 2,-0.4 -0.982 21.4-136.7-133.5 150.8 7.8 31.1 22.2 75 76 A W E +B 3 0A 102 -2,-0.3 -72,-0.2 -72,-0.2 2,-0.2 -0.897 36.0 146.4-108.3 132.0 6.0 29.6 19.2 76 77 A G E -B 2 0A 28 -74,-2.9 -74,-2.5 -2,-0.4 2,-0.3 -0.631 43.7 -56.8-142.8-157.2 6.8 30.7 15.7 77 78 A E - 0 0 161 -76,-0.2 2,-0.1 -2,-0.2 -74,-0.0 -0.707 48.9-106.5-104.4 145.9 7.0 29.7 12.0 78 79 A E - 0 0 107 -2,-0.3 -76,-0.1 1,-0.1 -1,-0.1 -0.373 23.0-170.2 -68.2 134.6 9.1 27.0 10.5 79 80 A A - 0 0 78 -2,-0.1 -1,-0.1 0, 0.0 -77,-0.0 0.425 55.5 -93.3-102.3 -7.3 12.2 28.1 8.4 80 81 A G + 0 0 63 1,-0.1 -2,-0.1 -50,-0.1 -34,-0.0 0.775 59.3 171.7 96.3 29.0 13.0 24.7 7.0 81 82 A L - 0 0 58 -51,-0.1 2,-0.3 -49,-0.0 -1,-0.1 -0.389 13.9-160.8 -63.8 152.7 15.6 23.3 9.4 82 83 A K + 0 0 192 -51,-0.1 -52,-0.1 -53,-0.0 -53,-0.1 -0.972 49.9 2.5-145.7 131.9 16.5 19.7 8.7 83 84 A G S S- 0 0 33 -2,-0.3 -52,-2.6 -55,-0.1 2,-0.5 -0.134 85.7 -88.4 78.5 170.5 18.1 17.2 11.0 84 85 A F E -d 31 0A 12 -54,-0.3 2,-0.4 -3,-0.1 -52,-0.3 -0.981 44.0-169.3-123.6 120.7 18.9 18.0 14.7 85 86 A H E -d 32 0A 102 -54,-2.1 -52,-1.9 -2,-0.5 2,-0.3 -0.854 10.4-148.7-115.2 139.3 22.3 19.5 15.4 86 87 A V E d 33 0A 50 -2,-0.4 -52,-0.2 -54,-0.2 -68,-0.0 -0.809 360.0 360.0-104.3 149.1 24.1 20.1 18.7 87 88 A Y 0 0 167 -54,-2.2 -52,-2.4 -2,-0.3 -70,-0.0 -0.974 360.0 360.0-155.9 360.0 26.6 23.0 19.3