==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-JUL-06 2HLU . COMPND 2 MOLECULE: PROBABLE ACYLPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR B.XIA,J.C.HU . 91 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5485.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 59 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 28.6 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 . 1 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 20.9 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 1 0 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 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 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 1 1 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 1 A M 0 0 160 0, 0.0 2,-0.2 0, 0.0 46,-0.0 0.000 360.0 360.0 360.0 140.8 0.5 -0.2 -2.3 2 2 A L E -A 48 0A 41 46,-2.6 46,-2.3 2,-0.0 2,-0.3 -0.858 360.0-144.0-147.8-179.5 3.2 -2.7 -3.4 3 3 A Q E +AB 47 77A 6 74,-1.0 74,-2.6 -2,-0.2 2,-0.3 -0.964 18.3 175.8-147.3 150.6 7.0 -3.1 -3.8 4 4 A Y E -AB 46 76A 12 42,-2.5 42,-2.0 -2,-0.3 2,-0.3 -0.974 23.6-142.8-147.8 168.2 9.2 -4.9 -6.3 5 5 A R E -AB 45 75A 89 70,-2.6 70,-2.4 -2,-0.3 2,-0.3 -0.979 24.2-171.1-128.7 140.4 12.8 -5.5 -7.4 6 6 A I E -AB 44 74A 0 38,-2.9 38,-2.6 -2,-0.3 2,-0.4 -0.970 12.0-157.8-134.0 145.3 13.6 -5.8 -11.1 7 7 A I E -AB 43 73A 39 66,-2.4 66,-2.6 -2,-0.3 2,-0.3 -0.966 14.9-167.6-126.3 140.1 16.7 -6.8 -13.1 8 8 A V E -AB 42 72A 0 34,-2.7 34,-2.4 -2,-0.4 2,-0.3 -0.958 6.4-173.3-136.2 145.7 17.3 -5.7 -16.7 9 9 A D E + B 0 71A 42 62,-2.6 61,-2.8 -2,-0.3 62,-1.7 -0.966 39.9 66.5-141.7 150.9 19.7 -6.7 -19.4 10 10 A G E S- B 0 69A 19 -2,-0.3 2,-1.5 59,-0.3 59,-0.2 -0.936 105.4 -21.5 139.5-158.9 20.5 -5.4 -23.0 11 11 A R E S+ B 0 68A 133 57,-1.9 57,-2.2 -2,-0.3 -2,-0.1 -0.746 86.9 135.3 -78.3 87.6 22.0 -2.2 -24.2 12 12 A V + 0 0 0 -2,-1.5 2,-0.3 55,-0.2 6,-0.2 0.078 52.9 61.3-129.0 17.7 21.0 -0.6 -20.9 13 13 A Q S S+ 0 0 49 -3,-0.1 29,-0.0 1,-0.1 28,-0.0 -0.944 94.9 34.2-138.1 158.1 24.3 1.3 -20.2 14 14 A G S S+ 0 0 68 -2,-0.3 -1,-0.1 1,-0.1 -3,-0.0 0.802 105.3 79.9 63.7 27.5 26.0 4.1 -22.2 15 15 A V S S- 0 0 24 -3,-0.1 51,-0.2 52,-0.0 52,-0.2 0.173 108.2-108.7-142.3 6.6 22.5 5.2 -23.2 16 16 A G >> + 0 0 40 50,-0.1 4,-1.8 3,-0.1 3,-1.0 0.637 67.7 148.0 72.9 15.9 21.5 7.3 -20.0 17 17 A F H 3> + 0 0 1 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.842 63.4 57.5 -59.3 -37.8 19.0 4.5 -19.0 18 18 A R H 3> S+ 0 0 43 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.877 109.5 46.9 -63.7 -32.0 19.4 5.0 -15.2 19 19 A Y H <> S+ 0 0 133 -3,-1.0 4,-2.5 2,-0.2 5,-0.2 0.894 109.8 53.6 -72.4 -38.2 18.4 8.6 -15.7 20 20 A F H X S+ 0 0 56 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.965 112.7 43.9 -56.0 -51.3 15.4 7.5 -17.9 21 21 A V H X S+ 0 0 1 -4,-2.9 4,-1.9 1,-0.2 5,-0.2 0.896 110.9 55.7 -59.7 -43.4 14.3 5.2 -15.0 22 22 A Q H X S+ 0 0 30 -4,-2.2 4,-2.3 -5,-0.2 3,-0.2 0.932 112.7 40.5 -56.3 -48.9 14.9 8.0 -12.4 23 23 A M H X S+ 0 0 128 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.861 112.0 56.2 -72.4 -34.2 12.6 10.4 -14.3 24 24 A E H < S+ 0 0 32 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.765 111.4 44.2 -70.8 -24.5 10.1 7.6 -15.0 25 25 A A H ><>S+ 0 0 0 -4,-1.9 5,-2.4 -3,-0.2 3,-1.7 0.892 113.1 51.5 -76.4 -45.4 9.9 6.9 -11.2 26 26 A D H ><5S+ 0 0 96 -4,-2.3 3,-1.9 1,-0.3 -2,-0.2 0.874 99.0 63.7 -61.8 -37.0 9.7 10.6 -10.4 27 27 A K T 3<5S+ 0 0 120 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.1 0.545 115.1 33.5 -69.4 -3.0 6.8 11.2 -12.9 28 28 A R T < 5S- 0 0 64 -3,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.211 110.9-122.1-121.8 6.5 4.8 8.8 -10.6 29 29 A K T < 5 + 0 0 168 -3,-1.9 -3,-0.2 -4,-0.2 -2,-0.1 0.834 53.9 165.5 44.9 39.7 6.5 10.0 -7.3 30 30 A L < - 0 0 5 -5,-2.4 2,-0.3 -6,-0.1 18,-0.2 -0.335 27.4-137.3 -68.2 165.1 7.6 6.3 -6.7 31 31 A A E +C 47 0A 9 16,-2.0 16,-2.1 52,-0.1 55,-0.3 -0.942 54.9 65.9-130.9 149.1 10.3 5.7 -4.1 32 32 A G E S-Cd 46 86A 0 53,-2.1 55,-1.2 -2,-0.3 2,-0.3 -0.984 71.0 -77.0 139.4-153.4 13.3 3.3 -4.2 33 33 A W E -Cd 45 87A 57 12,-2.3 12,-2.6 -2,-0.3 2,-0.3 -0.953 13.4-148.6-141.1 166.2 16.4 3.1 -6.4 34 34 A V E +Cd 44 88A 0 53,-1.8 55,-2.6 -2,-0.3 2,-0.3 -0.981 29.2 168.6-127.4 143.7 18.0 2.3 -9.7 35 35 A K E -Cd 43 89A 30 8,-2.6 8,-2.9 -2,-0.3 55,-0.2 -0.994 34.6-117.1-149.2 150.9 21.6 1.0 -9.9 36 36 A N E -C 42 0A 49 53,-0.6 2,-0.4 -2,-0.3 6,-0.3 -0.548 29.5-137.5 -71.2 154.4 24.1 -0.6 -12.4 37 37 A R > - 0 0 91 4,-2.6 3,-2.1 -2,-0.2 54,-0.0 -0.972 9.9-135.5-113.7 135.9 25.3 -4.1 -11.4 38 38 A D T 3 S+ 0 0 168 -2,-0.4 -1,-0.1 1,-0.3 4,-0.0 0.764 103.7 71.1 -59.7 -25.9 29.0 -4.8 -11.9 39 39 A D T 3 S- 0 0 117 1,-0.1 -1,-0.3 -3,-0.0 3,-0.1 0.777 124.5 -99.9 -56.9 -30.5 27.9 -8.2 -13.4 40 40 A G S < S+ 0 0 27 -3,-2.1 -30,-0.3 1,-0.5 -2,-0.1 0.172 91.3 104.6 121.7 -11.3 26.7 -6.2 -16.5 41 41 A R - 0 0 79 -32,-0.1 -4,-2.6 -5,-0.0 -1,-0.5 -0.279 63.3-130.1 -80.6 177.1 22.9 -6.0 -15.6 42 42 A V E -AC 8 36A 0 -34,-2.4 -34,-2.7 -6,-0.3 2,-0.4 -0.911 18.5-151.1-125.1 154.4 20.9 -3.1 -14.3 43 43 A E E -AC 7 35A 0 -8,-2.9 -8,-2.6 -2,-0.3 2,-0.3 -0.978 9.8-170.5-130.7 143.1 18.6 -3.2 -11.2 44 44 A I E -AC 6 34A 0 -38,-2.6 -38,-2.9 -2,-0.4 2,-0.3 -0.946 3.1-177.6-124.0 148.1 15.5 -1.3 -10.2 45 45 A L E +AC 5 33A 10 -12,-2.6 -12,-2.3 -2,-0.3 2,-0.3 -0.951 16.7 165.9-146.0 126.3 13.8 -1.5 -6.8 46 46 A A E -AC 4 32A 0 -42,-2.0 -42,-2.5 -2,-0.3 2,-0.3 -0.952 23.9-163.5-143.2 161.3 10.6 0.5 -6.1 47 47 A E E +AC 3 31A 32 -16,-2.1 -16,-2.0 -2,-0.3 -44,-0.2 -0.975 41.2 89.0-140.4 144.0 7.6 1.0 -3.8 48 48 A G E S-A 2 0A 8 -46,-2.3 -46,-2.6 -2,-0.3 2,-0.1 -0.965 76.6 -13.9 161.2-168.7 4.3 2.8 -4.5 49 49 A P > - 0 0 58 0, 0.0 4,-2.7 0, 0.0 3,-0.2 -0.388 61.5-128.4 -54.7 133.4 0.7 2.4 -5.8 50 50 A E H > S+ 0 0 90 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.788 108.0 52.1 -65.5 -27.4 0.5 -1.0 -7.7 51 51 A N H > S+ 0 0 116 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.916 111.9 46.1 -69.9 -42.4 -1.0 0.7 -10.8 52 52 A A H > S+ 0 0 16 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.900 112.7 51.4 -65.7 -39.8 1.8 3.2 -10.9 53 53 A L H X S+ 0 0 5 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.938 109.5 48.7 -62.2 -48.0 4.4 0.4 -10.3 54 54 A Q H X S+ 0 0 116 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.931 111.4 50.5 -59.4 -42.5 2.9 -1.6 -13.2 55 55 A S H X S+ 0 0 28 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.870 108.0 53.6 -61.3 -36.2 3.1 1.5 -15.4 56 56 A F H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.878 105.1 53.2 -69.5 -33.6 6.7 1.9 -14.3 57 57 A V H X S+ 0 0 32 -4,-2.2 4,-3.2 2,-0.2 5,-0.2 0.935 107.3 52.6 -62.0 -42.6 7.4 -1.7 -15.4 58 58 A E H X S+ 0 0 123 -4,-2.2 4,-0.8 1,-0.2 -2,-0.2 0.898 113.0 44.3 -60.7 -38.3 6.0 -0.7 -18.8 59 59 A A H >X S+ 0 0 11 -4,-2.0 4,-0.6 2,-0.2 3,-0.6 0.950 116.2 46.0 -65.0 -50.5 8.4 2.3 -18.8 60 60 A V H >< S+ 0 0 1 -4,-3.0 3,-1.6 1,-0.2 -2,-0.2 0.917 107.7 55.6 -61.8 -46.9 11.4 0.1 -17.6 61 61 A K H 3< S+ 0 0 121 -4,-3.2 8,-0.3 1,-0.3 -1,-0.2 0.722 103.8 56.2 -67.2 -21.2 10.8 -2.8 -20.1 62 62 A N H << S- 0 0 98 -4,-0.8 7,-0.4 -3,-0.6 -1,-0.3 0.781 97.6-149.5 -67.5 -29.1 10.9 -0.3 -23.1 63 63 A G << - 0 0 0 -3,-1.6 -1,-0.2 -4,-0.6 -51,-0.1 -0.242 46.1 -52.4 71.6-178.7 14.4 0.9 -22.0 64 64 A S > - 0 0 3 1,-0.1 3,-1.0 -2,-0.1 5,-0.1 -0.561 62.6-103.9 -64.9 157.7 15.0 4.5 -23.0 65 65 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.818 129.0 52.0 -46.7 -33.7 14.2 5.0 -26.7 66 66 A F T 3 S+ 0 0 169 -51,-0.2 -50,-0.1 -54,-0.0 -3,-0.1 0.750 106.9 66.3 -74.2 -29.5 18.1 5.0 -27.0 67 67 A S < - 0 0 13 -3,-1.0 2,-0.3 -52,-0.2 -55,-0.2 -0.176 68.1-146.9 -78.4 176.5 18.4 1.7 -25.1 68 68 A K E -B 11 0A 139 -57,-2.2 -57,-1.9 -2,-0.0 2,-0.3 -0.810 6.1-155.1-144.1 114.5 17.3 -1.8 -26.0 69 69 A V E +B 10 0A 32 -7,-0.4 -59,-0.3 -8,-0.3 3,-0.1 -0.682 15.2 175.8 -69.9 136.5 16.2 -4.2 -23.2 70 70 A T E + 0 0 94 -61,-2.8 2,-0.3 1,-0.4 -60,-0.2 0.541 69.1 11.6-119.1 -18.6 16.8 -7.8 -24.4 71 71 A D E -B 9 0A 93 -62,-1.7 -62,-2.6 2,-0.0 -1,-0.4 -0.974 63.1-177.2-155.0 151.9 15.8 -9.5 -21.1 72 72 A I E -B 8 0A 51 -2,-0.3 2,-0.3 -64,-0.2 -64,-0.2 -0.985 5.4-164.8-150.4 147.9 14.0 -8.5 -17.9 73 73 A S E -B 7 0A 65 -66,-2.6 -66,-2.4 -2,-0.3 2,-0.3 -0.973 7.2-164.3-138.7 144.9 13.2 -10.2 -14.5 74 74 A V E -B 6 0A 80 -2,-0.3 2,-0.4 -68,-0.2 -68,-0.2 -0.978 12.0-177.0-136.6 144.7 10.8 -9.1 -11.7 75 75 A T E -B 5 0A 95 -70,-2.4 -70,-2.6 -2,-0.3 2,-0.2 -0.961 20.2-144.7-137.3 116.3 10.1 -10.1 -8.1 76 76 A E E -B 4 0A 112 -2,-0.4 2,-0.3 -72,-0.2 -72,-0.3 -0.537 20.8-164.0 -70.2 156.1 7.3 -8.5 -6.2 77 77 A S E -B 3 0A 39 -74,-2.6 -74,-1.0 -2,-0.2 3,-0.1 -0.926 26.0-166.8-141.8 156.6 8.0 -7.9 -2.5 78 78 A R + 0 0 190 -2,-0.3 2,-0.2 -76,-0.1 -2,-0.0 -0.245 68.2 95.1-140.3 40.0 5.9 -7.1 0.6 79 79 A S S S- 0 0 100 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.708 81.1-134.0-138.2 65.5 8.7 -6.1 3.0 80 80 A L - 0 0 105 -2,-0.2 -2,-0.1 1,-0.1 -77,-0.1 0.213 19.7-148.0 -49.1 148.6 8.5 -2.3 2.4 81 81 A E - 0 0 50 -50,-0.1 -1,-0.1 2,-0.1 3,-0.1 0.786 23.8-154.7 -73.0 -34.7 11.4 0.1 1.8 82 82 A G + 0 0 60 1,-0.2 -50,-0.1 -51,-0.1 -2,-0.0 0.680 39.2 153.5 60.4 18.2 9.4 2.9 3.6 83 83 A H - 0 0 82 1,-0.1 -1,-0.2 -52,-0.1 -52,-0.1 -0.261 42.1-154.6 -72.9 166.5 11.4 5.4 1.4 84 84 A H S S+ 0 0 180 -3,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.267 72.6 33.8-127.7 3.8 10.2 8.9 0.5 85 85 A R S S- 0 0 143 -53,-0.1 -53,-2.1 2,-0.0 2,-0.3 -0.952 75.4-114.7-148.1 165.3 12.2 9.5 -2.8 86 86 A F E -d 32 0A 10 -55,-0.3 2,-0.3 -2,-0.3 -53,-0.2 -0.781 38.8-170.3 -97.6 153.2 13.7 7.6 -5.7 87 87 A S E -d 33 0A 28 -55,-1.2 -53,-1.8 -2,-0.3 2,-0.5 -0.937 28.9-126.3-141.1 159.0 17.5 7.5 -6.1 88 88 A I E +d 34 0A 49 -2,-0.3 2,-0.3 -55,-0.2 -53,-0.2 -0.954 41.9 178.8-103.4 130.8 20.4 6.6 -8.4 89 89 A V E -d 35 0A 31 -55,-2.6 -53,-0.6 -2,-0.5 -56,-0.0 -0.844 32.5-176.4-133.3 160.2 22.7 4.2 -6.5 90 90 A Y 0 0 132 -2,-0.3 -55,-0.1 -55,-0.2 -1,-0.1 0.260 360.0 360.0-141.1 3.4 26.0 2.2 -7.2 91 91 A S 0 0 148 -54,-0.0 -2,-0.1 0, 0.0 0, 0.0 -0.382 360.0 360.0 -58.1 360.0 26.4 0.3 -3.9