==== 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 2HLT . 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) . 5443.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 56 61.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 4.4 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 . 5 5.5 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 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 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 0 158 0, 0.0 2,-0.3 0, 0.0 79,-0.1 0.000 360.0 360.0 360.0 162.4 -5.7 -14.1 0.3 2 2 A L E -A 48 0A 1 46,-2.9 46,-2.3 77,-0.1 2,-0.4 -0.956 360.0-143.4-141.0 151.0 -6.0 -15.9 3.7 3 3 A Q E -AB 47 77A 27 74,-1.9 74,-2.1 -2,-0.3 2,-0.3 -0.952 18.6-175.9-114.9 140.4 -4.1 -16.2 7.0 4 4 A Y E -AB 46 76A 21 42,-2.9 42,-2.4 -2,-0.4 2,-0.4 -0.939 16.8-156.2-124.9 155.0 -3.8 -19.4 9.1 5 5 A R E -AB 45 75A 114 70,-2.5 70,-2.5 -2,-0.3 2,-0.4 -0.975 21.2-168.3-118.3 138.7 -2.2 -20.2 12.5 6 6 A I E -AB 44 74A 0 38,-2.4 38,-2.6 -2,-0.4 2,-0.4 -0.976 11.7-167.3-130.8 143.4 -1.2 -23.9 12.9 7 7 A I E -AB 43 73A 28 66,-2.4 66,-2.5 -2,-0.4 2,-0.3 -0.977 13.3-173.0-129.6 138.2 -0.2 -25.8 16.0 8 8 A V E -AB 42 72A 1 34,-2.2 34,-2.3 -2,-0.4 2,-0.3 -0.972 6.9-175.6-137.6 147.9 1.4 -29.3 15.7 9 9 A D E + B 0 71A 66 62,-2.6 61,-2.8 -2,-0.3 62,-1.8 -0.962 38.8 66.8-143.3 156.8 2.4 -32.1 18.1 10 10 A G E S- B 0 69A 24 59,-0.3 2,-1.5 -2,-0.3 59,-0.3 -0.946 107.2 -14.9 139.6-154.2 4.2 -35.5 17.9 11 11 A R E S+ B 0 68A 153 57,-2.6 57,-2.2 -2,-0.3 -2,-0.1 -0.764 93.7 130.2 -72.6 89.4 7.8 -36.4 17.0 12 12 A V + 0 0 1 -2,-1.5 2,-0.3 28,-0.2 -1,-0.2 0.063 45.4 71.2-138.6 18.5 8.0 -32.8 15.6 13 13 A Q S S+ 0 0 76 1,-0.1 29,-0.0 4,-0.1 28,-0.0 -0.980 87.4 28.0-138.8 153.8 11.3 -31.4 17.2 14 14 A G S S+ 0 0 80 -2,-0.3 -1,-0.1 -3,-0.0 -3,-0.0 0.818 99.1 89.9 66.2 32.2 15.0 -32.1 16.8 15 15 A V S S- 0 0 19 -3,-0.1 51,-0.1 0, 0.0 52,-0.1 0.398 110.3 -93.6-133.5 -8.0 14.3 -33.1 13.1 16 16 A G S > S+ 0 0 34 48,-0.1 4,-2.9 3,-0.1 5,-0.2 0.665 71.7 151.2 95.0 21.8 14.7 -29.7 11.2 17 17 A F H > S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.919 71.7 50.7 -57.7 -44.5 10.9 -29.1 11.5 18 18 A R H > S+ 0 0 80 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.925 113.3 45.9 -53.9 -49.6 11.5 -25.3 11.4 19 19 A Y H > S+ 0 0 136 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.938 113.0 48.6 -61.8 -49.1 13.8 -25.6 8.3 20 20 A F H X S+ 0 0 52 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.915 113.2 47.3 -62.9 -41.8 11.4 -27.9 6.5 21 21 A V H X S+ 0 0 5 -4,-2.8 4,-2.0 -5,-0.2 -1,-0.2 0.913 109.8 54.9 -63.0 -40.8 8.4 -25.6 7.2 22 22 A Q H X S+ 0 0 37 -4,-2.3 4,-2.4 -5,-0.2 3,-0.3 0.946 113.1 40.5 -59.9 -48.4 10.5 -22.5 6.1 23 23 A M H X S+ 0 0 68 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.853 111.7 56.8 -70.8 -32.0 11.2 -24.1 2.7 24 24 A E H < S+ 0 0 41 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.801 112.6 42.2 -69.5 -28.2 7.7 -25.5 2.3 25 25 A A H ><>S+ 0 0 0 -4,-2.0 5,-2.4 -3,-0.3 3,-1.5 0.890 113.6 53.3 -74.4 -44.4 6.4 -21.9 2.8 26 26 A D H ><5S+ 0 0 102 -4,-2.4 3,-1.8 1,-0.3 -2,-0.2 0.894 101.4 57.6 -61.4 -42.2 9.2 -20.5 0.5 27 27 A K T 3<5S+ 0 0 122 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.1 0.574 115.4 38.4 -70.2 -6.5 8.3 -22.9 -2.4 28 28 A R T < 5S- 0 0 59 -3,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.274 110.7-122.5-113.1 2.3 4.8 -21.4 -2.4 29 29 A K T < 5 + 0 0 193 -3,-1.8 -3,-0.2 -4,-0.3 -2,-0.1 0.832 55.9 160.6 46.3 38.4 6.0 -17.8 -1.7 30 30 A L < - 0 0 8 -5,-2.4 2,-0.3 -6,-0.1 18,-0.2 -0.365 29.8-143.1 -66.8 165.7 3.9 -17.8 1.5 31 31 A A E +C 47 0A 15 16,-2.0 16,-2.3 54,-0.1 55,-0.3 -0.909 50.5 78.5-130.8 156.5 4.7 -15.2 4.2 32 32 A G E -Cd 46 86A 1 53,-2.6 55,-1.9 -2,-0.3 2,-0.3 -0.993 66.9 -81.8 145.8-154.8 4.5 -15.7 8.0 33 33 A W E -Cd 45 87A 74 12,-2.5 12,-2.4 -2,-0.3 2,-0.3 -0.973 18.7-152.4-145.9 167.5 6.6 -17.4 10.7 34 34 A V E +Cd 44 88A 0 53,-2.1 55,-2.7 -2,-0.3 2,-0.3 -0.991 15.7 172.1-136.5 145.7 7.5 -20.8 12.3 35 35 A K E -C 43 0A 31 8,-2.7 8,-2.5 -2,-0.3 2,-0.5 -0.958 26.7-138.3-141.7 160.2 8.7 -21.5 15.8 36 36 A N E -C 42 0A 19 53,-0.3 6,-0.2 -2,-0.3 2,-0.1 -0.988 33.2-136.7-125.9 113.5 9.2 -24.8 17.8 37 37 A R > - 0 0 76 4,-3.0 3,-1.8 -2,-0.5 53,-0.0 -0.379 14.5-127.6 -86.5 153.3 8.0 -24.3 21.3 38 38 A D T 3 S+ 0 0 173 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.821 110.1 65.9 -64.7 -29.5 9.6 -25.4 24.7 39 39 A D T 3 S- 0 0 79 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.577 123.0-106.1 -68.0 -9.2 6.2 -27.0 25.6 40 40 A G S < S+ 0 0 17 -3,-1.8 -28,-0.2 1,-0.4 -30,-0.2 0.089 83.0 113.7 110.0 -20.2 7.0 -29.4 22.6 41 41 A R - 0 0 103 -32,-0.1 -4,-3.0 -5,-0.1 -1,-0.4 -0.467 61.7-129.0 -80.0 154.7 4.5 -28.2 20.0 42 42 A V E -AC 8 36A 0 -34,-2.3 -34,-2.2 -6,-0.2 2,-0.3 -0.756 23.8-161.7 -86.9 150.7 5.4 -26.5 16.7 43 43 A E E +AC 7 35A 13 -8,-2.5 -8,-2.7 -2,-0.3 2,-0.3 -0.994 11.1 176.6-134.1 142.3 3.6 -23.2 16.0 44 44 A I E -AC 6 34A 0 -38,-2.6 -38,-2.4 -2,-0.3 2,-0.4 -0.969 17.9-165.9-139.6 150.1 3.2 -21.6 12.6 45 45 A L E +AC 5 33A 17 -12,-2.4 -12,-2.5 -2,-0.3 2,-0.3 -0.980 23.0 176.2-134.7 128.8 1.5 -18.5 11.2 46 46 A A E -AC 4 32A 0 -42,-2.4 -42,-2.9 -2,-0.4 2,-0.3 -0.981 15.1-166.5-140.1 150.3 1.2 -18.4 7.4 47 47 A E E +AC 3 31A 4 -16,-2.3 -16,-2.0 -2,-0.3 -44,-0.2 -0.995 35.9 93.4-140.4 136.1 -0.4 -16.1 4.8 48 48 A G E S-A 2 0A 2 -46,-2.3 -46,-2.9 -2,-0.3 2,-0.2 -0.971 77.0 -28.7 169.6-171.5 -1.1 -16.7 1.1 49 49 A P > - 0 0 72 0, 0.0 4,-2.6 0, 0.0 3,-0.5 -0.557 63.4-119.0 -68.3 138.3 -3.8 -17.9 -1.4 50 50 A E H > S+ 0 0 72 1,-0.2 4,-2.4 -2,-0.2 5,-0.2 0.738 109.5 54.0 -58.5 -30.4 -6.0 -20.4 0.3 51 51 A N H > S+ 0 0 123 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.946 114.1 40.2 -69.7 -46.5 -5.2 -23.3 -2.1 52 52 A A H > S+ 0 0 17 -3,-0.5 4,-2.6 2,-0.2 -2,-0.2 0.896 114.9 54.6 -66.2 -39.0 -1.4 -23.0 -1.5 53 53 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.934 109.8 45.9 -61.5 -47.7 -2.1 -22.4 2.2 54 54 A Q H X S+ 0 0 93 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.919 111.7 52.0 -60.1 -44.4 -4.1 -25.6 2.5 55 55 A S H X S+ 0 0 43 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.896 108.0 52.0 -62.5 -38.6 -1.4 -27.5 0.5 56 56 A F H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.933 109.9 48.8 -61.3 -44.7 1.2 -26.1 3.0 57 57 A V H X S+ 0 0 8 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.938 107.6 54.9 -61.4 -43.8 -0.9 -27.4 5.9 58 58 A E H X S+ 0 0 118 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.886 110.1 47.2 -55.5 -39.5 -1.2 -30.8 4.1 59 59 A A H >X S+ 0 0 25 -4,-2.0 4,-2.0 1,-0.2 3,-1.0 0.913 107.2 55.7 -67.4 -42.7 2.7 -30.9 4.0 60 60 A V H 3< S+ 0 0 4 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.836 97.4 65.0 -59.3 -31.4 2.8 -29.8 7.7 61 61 A K H 3< S+ 0 0 103 -4,-2.0 8,-0.4 1,-0.2 -1,-0.3 0.841 107.8 40.8 -61.6 -33.4 0.6 -32.9 8.5 62 62 A N H << S- 0 0 106 -3,-1.0 7,-0.5 -4,-0.7 -2,-0.2 0.907 97.7-168.0 -71.6 -45.3 3.6 -35.1 7.3 63 63 A G < - 0 0 15 -4,-2.0 -1,-0.2 5,-0.1 -2,-0.1 -0.567 46.7 -15.8 83.4-156.8 6.2 -32.8 9.0 64 64 A S S > S- 0 0 1 -2,-0.2 3,-1.4 1,-0.1 -48,-0.1 -0.211 79.7 -94.6 -62.0 168.8 9.9 -33.3 8.1 65 65 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.564 131.2 42.2 -54.3 -10.1 11.1 -36.5 6.3 66 66 A F T 3 S+ 0 0 120 -51,-0.1 -3,-0.1 -55,-0.0 2,-0.1 0.312 95.0 106.5-124.0 -0.8 11.8 -37.7 9.9 67 67 A S < - 0 0 23 -3,-1.4 -55,-0.2 -5,-0.1 2,-0.2 -0.297 47.9-162.0 -77.2 166.2 8.7 -36.6 11.8 68 68 A K E -B 11 0A 144 -57,-2.2 -57,-2.6 -2,-0.1 2,-0.1 -0.725 17.2-161.4-142.8 88.4 5.7 -38.4 13.2 69 69 A V E +B 10 0A 21 -7,-0.5 -59,-0.3 -8,-0.4 3,-0.1 -0.494 14.0 177.9 -60.0 142.2 2.9 -35.8 13.8 70 70 A T E + 0 0 99 -61,-2.8 2,-0.3 1,-0.4 -60,-0.2 0.512 67.4 17.0-123.8 -18.3 0.3 -37.2 16.2 71 71 A D E +B 9 0A 88 -62,-1.8 -62,-2.6 2,-0.0 -1,-0.4 -0.983 58.8 178.9-153.3 149.9 -2.0 -34.0 16.4 72 72 A I E -B 8 0A 45 -2,-0.3 2,-0.3 -64,-0.2 -64,-0.2 -0.978 4.2-173.3-149.7 144.2 -2.5 -30.8 14.4 73 73 A S E -B 7 0A 59 -66,-2.5 -66,-2.4 -2,-0.3 2,-0.3 -0.970 5.2-160.9-139.7 152.2 -4.9 -27.8 14.8 74 74 A V E -B 6 0A 67 -2,-0.3 2,-0.3 -68,-0.2 -68,-0.2 -0.974 8.8-176.6-136.4 145.7 -5.6 -24.8 12.6 75 75 A T E -B 5 0A 90 -70,-2.5 -70,-2.5 -2,-0.3 2,-0.3 -0.907 17.4-157.8-132.3 160.4 -7.2 -21.3 13.2 76 76 A E E -B 4 0A 93 -2,-0.3 2,-0.3 -72,-0.3 -72,-0.2 -0.933 17.8-158.8-141.4 161.8 -7.8 -18.7 10.4 77 77 A S E -B 3 0A 51 -74,-2.1 -74,-1.9 -2,-0.3 -2,-0.0 -0.974 16.9-146.6-142.8 124.8 -8.4 -15.0 9.7 78 78 A R S S+ 0 0 137 -2,-0.3 2,-0.3 -76,-0.2 -74,-0.0 0.298 88.0 56.6 -79.9 11.8 -10.1 -13.8 6.4 79 79 A S S S- 0 0 95 -76,-0.1 2,-0.1 0, 0.0 -76,-0.1 -0.981 85.9-124.7-138.4 143.7 -7.8 -10.7 6.5 80 80 A L - 0 0 62 -2,-0.3 -2,-0.1 1,-0.1 -77,-0.1 -0.470 12.0-146.8 -84.5 159.2 -4.0 -10.6 6.6 81 81 A E - 0 0 138 -2,-0.1 -1,-0.1 2,-0.0 -34,-0.0 0.789 53.2-124.0 -79.0 -37.7 -1.5 -9.0 8.9 82 82 A G - 0 0 53 1,-0.1 -50,-0.1 -51,-0.1 -2,-0.0 0.882 30.1-162.8 98.5 50.1 0.5 -8.7 5.7 83 83 A H - 0 0 40 1,-0.1 -1,-0.1 -52,-0.1 3,-0.1 -0.327 12.7-147.3 -58.0 144.9 3.9 -10.4 6.4 84 84 A H S S- 0 0 191 1,-0.1 2,-0.2 -52,-0.1 -1,-0.1 0.754 74.7 -6.3 -86.6 -28.2 6.7 -9.5 3.9 85 85 A R S S- 0 0 150 -53,-0.1 -53,-2.6 2,-0.0 2,-0.5 -0.830 78.2 -93.6-152.0-178.7 8.5 -12.9 4.0 86 86 A F E -d 32 0A 6 -55,-0.3 2,-0.4 -2,-0.2 -53,-0.2 -0.968 47.4-174.8-114.3 127.8 8.4 -16.3 5.9 87 87 A S E -d 33 0A 33 -55,-1.9 -53,-2.1 -2,-0.5 2,-0.4 -0.937 32.0-129.9-132.7 139.9 10.7 -16.5 8.9 88 88 A I E -d 34 0A 58 -2,-0.4 2,-0.3 -55,-0.2 -53,-0.2 -0.752 42.8-179.2 -76.7 132.0 12.0 -18.9 11.5 89 89 A V - 0 0 32 -55,-2.7 -53,-0.3 -2,-0.4 -56,-0.0 -0.852 32.4-162.9-135.3 167.2 11.6 -17.1 14.9 90 90 A Y 0 0 182 -2,-0.3 -55,-0.1 -55,-0.1 -1,-0.0 0.310 360.0 360.0-135.7 -1.1 12.3 -17.9 18.6 91 91 A S 0 0 144 -56,-0.0 -56,-0.0 0, 0.0 0, 0.0 0.927 360.0 360.0 -59.1 360.0 10.1 -15.2 20.4