==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-DEC-05 2FHM . 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) . 5359.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 58 63.7 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 . 3 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 4.4 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 . 2 2.2 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 1 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 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 0 132 0, 0.0 2,-0.2 0, 0.0 79,-0.2 0.000 360.0 360.0 360.0 172.0 2.0 -0.7 0.3 2 2 A L E -A 48 0A 27 46,-2.4 46,-2.5 77,-0.1 2,-0.3 -0.678 360.0-150.8-134.2 174.3 2.0 -2.6 -3.1 3 3 A Q E -AB 47 77A 22 74,-2.2 74,-2.3 44,-0.3 2,-0.3 -0.967 12.7-158.2-144.3 154.1 3.2 -2.8 -6.7 4 4 A Y E -AB 46 76A 4 42,-2.4 42,-1.3 -2,-0.3 2,-0.3 -0.894 11.8-157.8-118.7 164.6 1.7 -4.3 -9.9 5 5 A R E -AB 45 75A 102 70,-2.4 70,-2.7 -2,-0.3 2,-0.3 -0.966 23.3-174.8-125.7 140.8 3.0 -5.5 -13.2 6 6 A I E -AB 44 74A 0 38,-2.8 38,-2.6 -2,-0.3 2,-0.4 -0.978 13.2-169.1-132.5 143.0 0.2 -5.5 -15.9 7 7 A I E -AB 43 73A 33 66,-2.5 66,-2.4 -2,-0.3 2,-0.3 -0.992 13.8-178.5-130.0 137.5 0.3 -6.8 -19.5 8 8 A V E -AB 42 72A 0 34,-2.6 34,-2.7 -2,-0.4 2,-0.3 -0.981 10.7-171.2-138.9 149.8 -2.6 -6.0 -21.9 9 9 A D E + B 0 71A 49 62,-2.5 61,-3.0 -2,-0.3 62,-1.9 -0.933 43.7 77.0-139.0 155.7 -3.5 -6.8 -25.5 10 10 A G E S- B 0 69A 25 -2,-0.3 2,-1.8 59,-0.3 59,-0.2 -0.942 110.9 -26.6 140.7-156.4 -6.3 -5.5 -27.8 11 11 A R E S+ B 0 68A 138 57,-1.4 57,-1.2 -2,-0.3 -2,-0.1 -0.559 83.6 156.4 -79.7 66.0 -6.4 -2.1 -29.6 12 12 A V + 0 0 7 -2,-1.8 2,-0.3 55,-0.2 -1,-0.2 -0.009 59.3 28.9 -90.2 27.1 -4.1 -1.1 -26.7 13 13 A Q + 0 0 50 4,-0.1 55,-0.2 55,-0.1 29,-0.0 -0.903 46.7 143.5-159.4-174.7 -2.6 1.8 -28.7 14 14 A G S S- 0 0 59 -2,-0.3 -2,-0.1 53,-0.1 -1,-0.0 -0.182 96.4 -23.4 162.4 -45.3 -3.7 4.2 -31.5 15 15 A V S S- 0 0 130 0, 0.0 -2,-0.0 0, 0.0 4,-0.0 0.323 135.5 -12.6-150.9 -30.2 -2.1 7.5 -30.7 16 16 A G > + 0 0 19 2,-0.1 4,-2.6 3,-0.0 5,-0.1 0.049 67.4 138.7-175.5 47.4 -1.5 7.4 -26.9 17 17 A F H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.906 86.6 56.6 -60.7 -37.4 -3.2 4.7 -24.8 18 18 A R H > S+ 0 0 44 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.886 107.8 47.0 -61.3 -35.5 0.2 4.5 -23.0 19 19 A Y H > S+ 0 0 129 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.948 109.4 55.2 -67.7 -45.5 -0.3 8.2 -22.2 20 20 A F H X S+ 0 0 24 -4,-2.6 4,-2.3 2,-0.2 3,-0.4 0.915 105.9 49.8 -53.3 -50.3 -3.9 7.5 -21.1 21 21 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.934 110.7 50.4 -61.4 -38.9 -2.9 4.9 -18.6 22 22 A Q H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.798 106.6 55.1 -71.7 -22.6 -0.3 7.3 -17.1 23 23 A M H X S+ 0 0 87 -4,-1.9 4,-2.9 -3,-0.4 -1,-0.2 0.944 110.0 46.3 -64.3 -46.8 -3.0 10.0 -16.9 24 24 A E H X S+ 0 0 40 -4,-2.3 4,-0.9 2,-0.2 -2,-0.2 0.841 110.5 54.6 -65.8 -31.3 -5.0 7.5 -14.8 25 25 A A H ><>S+ 0 0 0 -4,-2.2 5,-2.6 -5,-0.2 3,-1.0 0.967 112.0 42.2 -60.5 -54.8 -1.8 6.8 -12.8 26 26 A D H ><5S+ 0 0 70 -4,-2.4 3,-2.0 1,-0.3 -2,-0.2 0.899 106.8 62.4 -62.1 -40.5 -1.4 10.5 -12.0 27 27 A K H 3<5S+ 0 0 120 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.768 117.7 29.8 -55.2 -28.7 -5.1 10.8 -11.3 28 28 A R T <<5S- 0 0 110 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.077 115.3-114.8-118.6 20.7 -4.7 8.3 -8.4 29 29 A K T < 5 + 0 0 158 -3,-2.0 -3,-0.2 1,-0.2 2,-0.2 0.769 60.7 153.4 41.6 42.1 -1.0 9.3 -7.7 30 30 A L < - 0 0 8 -5,-2.6 2,-0.3 -6,-0.2 18,-0.2 -0.489 30.6-151.3 -72.5 163.7 0.5 5.9 -8.7 31 31 A A E +C 47 0A 8 16,-1.5 16,-2.4 -2,-0.2 55,-0.3 -0.986 41.8 90.5-146.1 130.8 4.1 6.1 -9.9 32 32 A G E -Cd 46 86A 1 53,-1.0 55,-1.7 -2,-0.3 2,-0.3 -0.938 61.3 -76.7 172.7-162.5 5.7 3.7 -12.4 33 33 A W E -Cd 45 87A 92 12,-2.7 12,-2.3 -2,-0.3 2,-0.3 -0.887 20.3-149.0-130.9 161.7 6.4 3.1 -16.2 34 34 A V E +Cd 44 88A 0 53,-1.4 55,-2.9 -2,-0.3 2,-0.3 -0.964 21.1 171.7-130.4 148.1 4.5 2.0 -19.4 35 35 A K E -C 43 0A 58 8,-2.5 8,-2.6 -2,-0.3 2,-0.5 -0.953 31.0-129.8-148.0 156.7 6.1 0.2 -22.4 36 36 A N E -C 42 0A 54 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.989 32.4-137.9-115.5 121.5 5.0 -1.5 -25.7 37 37 A R > - 0 0 79 4,-2.5 3,-1.9 -2,-0.5 -2,-0.0 -0.458 15.9-123.1 -76.2 151.3 6.6 -5.0 -25.9 38 38 A D T 3 S+ 0 0 176 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.804 113.3 66.7 -61.1 -28.7 8.1 -6.4 -29.2 39 39 A D T 3 S- 0 0 66 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.543 123.0-106.3 -71.4 -7.6 5.6 -9.3 -28.7 40 40 A G S < S+ 0 0 40 -3,-1.9 -2,-0.1 1,-0.4 -1,-0.1 0.071 82.2 116.1 107.8 -19.6 2.8 -6.7 -29.4 41 41 A R - 0 0 82 -32,-0.1 -4,-2.5 -5,-0.1 -1,-0.4 -0.262 62.9-125.3 -68.3 163.7 1.4 -6.3 -25.8 42 42 A V E -AC 8 36A 0 -34,-2.7 -34,-2.6 -6,-0.2 2,-0.3 -0.849 28.1-160.3 -98.9 149.8 1.5 -3.1 -23.7 43 43 A E E -AC 7 35A 6 -8,-2.6 -8,-2.5 -2,-0.3 2,-0.3 -0.975 9.4-174.3-135.2 144.9 3.1 -3.5 -20.3 44 44 A I E -AC 6 34A 0 -38,-2.6 -38,-2.8 -2,-0.3 2,-0.3 -0.980 4.3-178.6-141.3 144.8 2.8 -1.3 -17.2 45 45 A L E +AC 5 33A 7 -12,-2.3 -12,-2.7 -2,-0.3 2,-0.3 -0.963 17.0 149.4-149.8 130.1 4.5 -1.5 -13.8 46 46 A A E -AC 4 32A 0 -42,-1.3 -42,-2.4 -2,-0.3 -14,-0.3 -0.986 36.8-124.9-158.1 154.5 4.0 0.9 -10.8 47 47 A E E +AC 3 31A 22 -16,-2.4 -16,-1.5 -2,-0.3 -44,-0.3 -0.655 48.5 116.8 -93.2 157.2 4.0 1.2 -7.0 48 48 A G E -A 2 0A 3 -46,-2.5 -46,-2.4 -2,-0.2 2,-0.2 -0.953 63.5 -57.1 168.7 178.5 0.9 2.4 -5.0 49 49 A P > - 0 0 63 0, 0.0 4,-2.6 0, 0.0 3,-0.3 -0.532 55.9-108.6 -75.5 155.7 -1.8 1.5 -2.4 50 50 A E H > S+ 0 0 131 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.890 117.0 49.1 -56.3 -47.5 -3.9 -1.5 -3.1 51 51 A N H > S+ 0 0 101 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.882 113.0 47.8 -62.1 -39.6 -7.1 0.5 -3.9 52 52 A A H > S+ 0 0 4 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.946 113.5 47.2 -66.0 -46.7 -5.3 2.8 -6.2 53 53 A L H X S+ 0 0 3 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.897 115.1 45.6 -62.1 -43.2 -3.6 -0.0 -8.1 54 54 A Q H X S+ 0 0 92 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.898 110.6 52.1 -71.8 -38.7 -6.9 -2.0 -8.4 55 55 A S H X S+ 0 0 39 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.914 110.7 50.1 -62.6 -39.6 -8.9 1.1 -9.5 56 56 A F H X S+ 0 0 3 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.935 105.9 55.1 -60.8 -46.9 -6.2 1.6 -12.2 57 57 A V H X S+ 0 0 11 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.924 109.6 47.7 -53.8 -44.4 -6.5 -2.1 -13.2 58 58 A E H X S+ 0 0 119 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.910 108.5 54.8 -62.2 -42.0 -10.2 -1.5 -13.8 59 59 A A H <>S+ 0 0 15 -4,-2.2 5,-0.9 2,-0.2 4,-0.5 0.868 115.4 38.6 -60.6 -39.4 -9.4 1.7 -15.8 60 60 A V H ><5S+ 0 0 2 -4,-2.3 3,-1.6 2,-0.2 9,-0.5 0.973 117.6 49.0 -70.8 -54.7 -7.1 -0.3 -18.1 61 61 A K H 3<5S+ 0 0 120 -4,-3.0 8,-0.2 1,-0.3 -2,-0.2 0.820 104.9 57.7 -59.3 -38.7 -9.4 -3.4 -18.3 62 62 A N T 3<5S- 0 0 121 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.759 96.6-141.2 -62.3 -26.2 -12.6 -1.4 -19.0 63 63 A G T < 5 + 0 0 10 -3,-1.6 -3,-0.1 -4,-0.5 -2,-0.1 0.949 29.9 176.5 59.3 47.3 -10.9 0.1 -22.2 64 64 A S < + 0 0 69 -5,-0.9 4,-0.1 -4,-0.1 -4,-0.1 0.819 55.4 64.8 -53.1 -39.6 -12.5 3.5 -21.4 65 65 A P S S- 0 0 32 0, 0.0 -48,-0.0 0, 0.0 0, 0.0 0.062 107.6 -91.0 -66.2-174.8 -10.7 5.2 -24.4 66 66 A F S S+ 0 0 116 2,-0.0 2,-0.3 0, 0.0 -55,-0.1 0.836 119.0 73.4 -63.4 -37.0 -11.1 4.6 -28.2 67 67 A S S S- 0 0 0 -55,-0.1 2,-0.3 -57,-0.0 -55,-0.2 -0.636 75.8-178.2 -70.1 138.0 -8.2 2.1 -27.5 68 68 A K E -B 11 0A 105 -57,-1.2 -57,-1.4 -2,-0.3 2,-0.2 -0.994 24.7-121.1-146.6 150.7 -9.5 -0.9 -25.6 69 69 A V E +B 10 0A 19 -9,-0.5 -59,-0.3 -2,-0.3 3,-0.1 -0.551 20.5 175.8 -84.1 151.4 -8.2 -4.2 -24.1 70 70 A T E S+ 0 0 110 -61,-3.0 2,-0.3 1,-0.4 -60,-0.2 0.403 77.6 25.7-128.4 -11.5 -9.4 -7.7 -25.1 71 71 A D E +B 9 0A 94 -62,-1.9 -62,-2.5 2,-0.0 -1,-0.4 -0.973 67.4 179.0-151.6 140.6 -7.0 -9.7 -22.8 72 72 A I E -B 8 0A 36 -2,-0.3 2,-0.3 -64,-0.2 -64,-0.2 -0.982 10.1-172.6-141.0 149.1 -5.2 -8.7 -19.6 73 73 A S E -B 7 0A 64 -66,-2.4 -66,-2.5 -2,-0.3 2,-0.3 -0.981 10.6-170.5-139.1 144.9 -2.8 -10.3 -17.1 74 74 A V E -B 6 0A 57 -2,-0.3 2,-0.3 -68,-0.2 -68,-0.2 -0.988 9.1-174.3-138.0 143.0 -1.7 -8.8 -13.7 75 75 A T E -B 5 0A 87 -70,-2.7 -70,-2.4 -2,-0.3 2,-0.3 -0.945 14.4-156.8-130.0 150.8 0.9 -9.7 -11.1 76 76 A E E +B 4 0A 96 -2,-0.3 2,-0.2 -72,-0.3 -72,-0.2 -0.948 15.1 165.9-136.7 153.4 1.3 -8.0 -7.7 77 77 A S E -B 3 0A 38 -74,-2.3 -74,-2.2 -2,-0.3 -2,-0.0 -0.868 42.6-124.3-151.5 173.8 4.1 -7.5 -5.1 78 78 A R + 0 0 139 -76,-0.3 2,-1.9 -2,-0.2 -74,-0.1 0.306 69.5 124.2-106.7 1.3 5.1 -5.4 -2.1 79 79 A S - 0 0 75 -76,-0.1 -77,-0.1 2,-0.0 -75,-0.1 -0.449 44.9-167.3 -72.7 75.7 8.4 -4.3 -3.8 80 80 A L - 0 0 81 -2,-1.9 -77,-0.1 -79,-0.2 -2,-0.1 -0.313 8.0-162.4 -56.7 153.8 8.1 -0.5 -3.6 81 81 A E - 0 0 66 2,-0.1 -1,-0.1 -2,-0.0 3,-0.1 0.618 37.8-111.7-116.0 -26.3 10.7 1.3 -5.9 82 82 A G + 0 0 50 1,-0.3 2,-0.2 -51,-0.1 -2,-0.1 0.687 59.0 166.2 80.1 24.2 10.8 4.9 -4.5 83 83 A H + 0 0 41 -52,-0.2 -1,-0.3 1,-0.1 -2,-0.1 -0.560 17.7 174.4 -71.8 139.8 9.2 5.9 -7.9 84 84 A H + 0 0 176 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.1 0.120 60.4 36.0-134.4 14.6 7.8 9.6 -7.7 85 85 A R S S- 0 0 160 -53,-0.0 -53,-1.0 -56,-0.0 2,-0.3 -0.928 79.8-105.4-149.2 171.9 6.7 10.1 -11.3 86 86 A F E -d 32 0A 58 -2,-0.3 2,-0.3 -55,-0.3 -53,-0.2 -0.832 37.8-162.9 -98.3 153.6 5.1 8.3 -14.3 87 87 A S E -d 33 0A 29 -55,-1.7 -53,-1.4 -2,-0.3 2,-0.4 -0.941 12.0-151.7-140.4 154.2 7.4 7.3 -17.1 88 88 A I E -d 34 0A 71 -2,-0.3 2,-0.2 -55,-0.2 -53,-0.2 -0.978 14.6-139.5-135.7 111.4 6.9 6.3 -20.8 89 89 A V - 0 0 64 -55,-2.9 2,-0.9 -2,-0.4 -53,-0.1 -0.551 23.9-124.2 -68.4 138.8 9.4 4.0 -22.6 90 90 A Y 0 0 230 -2,-0.2 -1,-0.1 -55,-0.1 -55,-0.1 -0.136 360.0 360.0 -80.5 36.9 9.8 5.3 -26.2 91 91 A S 0 0 80 -2,-0.9 -54,-0.1 0, 0.0 -2,-0.0 -0.373 360.0 360.0 -52.9 360.0 8.8 1.8 -27.5