==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-DEC-07 3BR8 . COMPND 2 MOLECULE: PROBABLE ACYLPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR D.LI,J.C.HU,B.XIA,X.D.SU . 90 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5304.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 63 70.0 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 28.9 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 . 7 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 22.2 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 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 0 121 0, 0.0 2,-0.3 0, 0.0 46,-0.0 0.000 360.0 360.0 360.0-102.1 11.6 -2.5 26.1 2 2 A L E -A 48 0A 25 46,-1.0 46,-2.0 77,-0.0 2,-0.4 -0.963 360.0-148.8-141.0 149.7 11.9 -2.4 29.8 3 3 A Q E -AB 47 77A 20 74,-2.7 74,-2.0 -2,-0.3 2,-0.4 -0.988 10.7-161.9-114.2 128.3 9.2 -2.9 32.4 4 4 A Y E -AB 46 76A 31 42,-3.2 42,-2.5 -2,-0.4 2,-0.6 -0.933 9.0-157.3-106.6 136.7 9.3 -1.2 35.8 5 5 A R E -AB 45 75A 160 70,-3.0 70,-2.1 -2,-0.4 2,-0.4 -0.962 22.7-173.8-103.9 114.4 7.3 -2.2 38.8 6 6 A I E -AB 44 74A 2 38,-3.2 38,-2.6 -2,-0.6 2,-0.5 -0.932 14.4-168.9-116.5 128.9 7.1 0.9 41.0 7 7 A I E -AB 43 73A 60 66,-2.3 66,-2.5 -2,-0.4 2,-0.4 -0.988 10.9-163.4-117.1 125.5 5.6 1.0 44.6 8 8 A V E -AB 42 72A 0 34,-2.7 34,-2.2 -2,-0.5 2,-0.3 -0.896 7.1-175.1-110.0 135.4 5.1 4.5 46.0 9 9 A D E + B 0 71A 64 62,-2.5 61,-2.5 -2,-0.4 62,-1.6 -0.877 37.9 63.2-126.4 163.1 4.5 5.3 49.7 10 10 A G E S- B 0 69A 28 -2,-0.3 2,-1.2 59,-0.3 59,-0.2 -0.973 107.6 -18.9 133.0-146.4 3.7 8.4 51.7 11 11 A R E S+ B 0 68A 145 57,-2.2 57,-1.9 -2,-0.3 -2,-0.1 -0.790 90.2 133.8 -92.0 85.8 0.6 10.6 51.5 12 12 A V + 0 0 1 -2,-1.2 2,-0.3 28,-0.4 3,-0.2 0.224 40.2 74.7-130.5 12.3 -0.3 9.2 48.1 13 13 A Q S S+ 0 0 67 1,-0.1 29,-0.0 -3,-0.1 28,-0.0 -0.946 92.4 22.9-126.5 152.5 -4.0 8.3 48.2 14 14 A G S S+ 0 0 85 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.0 0.744 100.6 95.2 66.6 24.7 -7.1 10.6 48.0 15 15 A V S S- 0 0 25 -3,-0.2 52,-0.2 51,-0.0 -2,-0.1 0.084 106.3 -98.1-131.6 21.0 -4.8 13.2 46.4 16 16 A G S > S+ 0 0 45 48,-0.1 4,-2.0 50,-0.1 5,-0.1 0.777 77.8 140.8 64.9 28.6 -5.4 12.7 42.7 17 17 A F H > + 0 0 4 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.892 65.1 52.8 -72.0 -40.3 -2.3 10.6 42.5 18 18 A R H > S+ 0 0 71 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.941 111.0 47.8 -62.1 -45.0 -3.6 8.0 40.1 19 19 A Y H > S+ 0 0 146 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.917 112.3 50.1 -56.8 -47.4 -4.8 10.7 37.6 20 20 A F H X S+ 0 0 37 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.933 111.0 47.7 -59.0 -48.2 -1.3 12.4 37.9 21 21 A V H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.910 111.4 51.8 -60.8 -42.2 0.6 9.2 37.2 22 22 A Q H X S+ 0 0 45 -4,-2.4 4,-2.8 -5,-0.2 5,-0.2 0.902 108.8 49.6 -62.7 -41.8 -1.7 8.4 34.3 23 23 A M H X S+ 0 0 72 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.917 113.5 46.8 -63.3 -40.9 -1.1 11.8 32.7 24 24 A E H X S+ 0 0 32 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.903 112.5 49.4 -66.3 -43.5 2.6 11.4 33.1 25 25 A A H <>S+ 0 0 0 -4,-2.7 5,-2.9 2,-0.2 -2,-0.2 0.923 113.4 45.7 -62.7 -43.9 2.5 7.9 31.7 26 26 A D H ><5S+ 0 0 81 -4,-2.8 3,-1.5 3,-0.2 -2,-0.2 0.926 111.1 52.8 -65.5 -43.7 0.5 9.0 28.6 27 27 A K H 3<5S+ 0 0 142 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.912 114.9 42.5 -52.7 -44.3 2.7 12.0 28.1 28 28 A R T 3<5S- 0 0 57 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.319 113.1-120.8 -90.4 8.3 5.7 9.7 28.1 29 29 A K T < 5 + 0 0 188 -3,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.852 57.9 154.9 55.0 42.0 3.9 7.0 26.0 30 30 A L < - 0 0 5 -5,-2.9 2,-0.3 -6,-0.1 -1,-0.2 -0.742 32.4-144.8 -97.6 146.6 4.3 4.3 28.6 31 31 A A E +C 47 0A 12 16,-2.2 16,-2.2 -2,-0.3 2,-0.4 -0.802 53.2 63.9-110.3 153.2 1.9 1.3 28.9 32 32 A G E S-Cd 46 86A 3 53,-2.5 55,-2.1 -2,-0.3 2,-0.3 -1.000 70.7 -81.4 140.5-140.7 0.7 -0.4 32.0 33 33 A W E -Cd 45 87A 71 12,-1.8 12,-2.5 -2,-0.4 2,-0.3 -0.983 11.9-137.8-160.4 165.9 -1.4 0.7 35.0 34 34 A V E +Cd 44 88A 0 53,-2.0 55,-2.4 -2,-0.3 2,-0.3 -0.985 27.3 174.8-130.9 142.6 -1.7 2.5 38.3 35 35 A K E -C 43 0A 59 8,-2.2 8,-2.7 -2,-0.3 2,-0.3 -0.989 29.9-122.4-152.7 135.2 -3.7 1.1 41.3 36 36 A N E -C 42 0A 43 53,-0.4 2,-0.3 -2,-0.3 6,-0.2 -0.644 26.2-144.8 -76.5 132.9 -4.3 2.0 44.9 37 37 A R > - 0 0 88 4,-2.9 3,-1.7 -2,-0.3 -1,-0.0 -0.702 20.6-121.0 -91.7 151.8 -3.4 -0.7 47.4 38 38 A D T 3 S+ 0 0 164 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.521 110.3 64.1 -74.4 -0.5 -5.6 -1.2 50.5 39 39 A D T 3 S- 0 0 86 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.238 123.0 -98.5-101.7 10.6 -2.5 -0.5 52.7 40 40 A G S < S+ 0 0 25 -3,-1.7 -28,-0.4 1,-0.3 -2,-0.1 0.184 86.8 116.5 98.6 -17.1 -2.1 3.1 51.4 41 41 A R - 0 0 90 -32,-0.1 -4,-2.9 -30,-0.1 2,-0.4 -0.350 57.8-132.3 -82.9 165.6 0.6 2.5 48.8 42 42 A V E -AC 8 36A 0 -34,-2.2 -34,-2.7 -6,-0.2 2,-0.4 -0.979 13.1-152.2-121.9 127.7 0.3 3.0 45.0 43 43 A E E -AC 7 35A 44 -8,-2.7 -8,-2.2 -2,-0.4 2,-0.4 -0.830 12.5-174.5-100.0 139.0 1.4 0.3 42.5 44 44 A I E -AC 6 34A 4 -38,-2.6 -38,-3.2 -2,-0.4 2,-0.5 -0.990 10.5-169.2-135.1 122.7 2.6 1.4 39.0 45 45 A L E +AC 5 33A 7 -12,-2.5 -12,-1.8 -2,-0.4 2,-0.4 -0.974 18.7 176.9-107.6 123.0 3.5 -1.0 36.2 46 46 A A E -AC 4 32A 0 -42,-2.5 -42,-3.2 -2,-0.5 2,-0.4 -0.996 11.9-174.2-134.8 135.0 5.1 0.9 33.3 47 47 A E E +AC 3 31A 8 -16,-2.2 -16,-2.2 -2,-0.4 -44,-0.2 -0.981 35.2 86.3-127.5 133.9 6.6 -0.4 30.1 48 48 A G E S-A 2 0A 5 -46,-2.0 -46,-1.0 -2,-0.4 -18,-0.1 -0.985 73.6 -25.5 166.6-169.4 8.4 1.7 27.4 49 49 A P > - 0 0 46 0, 0.0 4,-2.5 0, 0.0 3,-0.2 -0.323 59.1-114.6 -67.4 152.0 11.8 3.1 26.4 50 50 A E H > S+ 0 0 98 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.844 113.0 53.5 -59.0 -39.0 14.5 3.6 29.0 51 51 A N H > S+ 0 0 127 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.925 112.4 45.2 -64.2 -41.3 14.6 7.5 28.6 52 52 A A H > S+ 0 0 11 -3,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.899 114.4 48.9 -64.1 -44.7 10.8 7.7 29.1 53 53 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.910 112.0 47.3 -65.3 -44.8 10.9 5.3 32.1 54 54 A Q H X S+ 0 0 134 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.936 115.0 44.9 -64.0 -47.0 13.7 7.0 33.9 55 55 A S H X S+ 0 0 42 -4,-2.1 4,-2.1 -5,-0.3 -1,-0.2 0.867 110.1 57.2 -65.3 -34.6 12.2 10.5 33.4 56 56 A F H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.920 102.7 53.7 -58.7 -46.5 8.8 9.0 34.5 57 57 A V H X S+ 0 0 16 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.911 109.6 48.4 -56.5 -43.2 10.2 7.8 37.8 58 58 A E H X S+ 0 0 96 -4,-1.5 4,-0.8 1,-0.2 -1,-0.2 0.908 111.5 49.4 -64.9 -39.9 11.5 11.3 38.5 59 59 A A H >X S+ 0 0 9 -4,-2.1 4,-1.0 1,-0.2 3,-1.0 0.917 106.1 56.5 -64.1 -42.2 8.2 12.9 37.7 60 60 A V H >< S+ 0 0 0 -4,-2.8 3,-0.9 1,-0.3 -1,-0.2 0.897 99.5 60.4 -57.1 -40.8 6.3 10.4 39.9 61 61 A K H 3< S+ 0 0 97 -4,-1.7 8,-0.5 1,-0.3 -1,-0.3 0.812 98.8 57.6 -57.2 -33.3 8.5 11.6 42.9 62 62 A N H << S- 0 0 136 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.784 96.3-174.0 -69.8 -29.4 7.1 15.1 42.4 63 63 A G << - 0 0 12 -4,-1.0 -1,-0.1 -3,-0.9 -2,-0.1 0.045 23.7 -57.6 73.8-176.0 3.6 13.8 42.9 64 64 A S S > S- 0 0 8 1,-0.2 3,-2.0 -4,-0.1 -47,-0.1 -0.511 76.0 -61.7 -96.3 167.7 0.1 15.3 42.6 65 65 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.283 124.4 8.9 -54.5 135.3 -1.2 18.3 44.6 66 66 A F T 3 S+ 0 0 177 1,-0.3 2,-0.1 -3,-0.1 -50,-0.1 0.306 102.2 123.9 73.6 -4.9 -1.2 17.6 48.4 67 67 A S < - 0 0 20 -3,-2.0 2,-0.3 -52,-0.2 -1,-0.3 -0.439 44.2-162.8 -77.9 155.9 0.7 14.4 47.9 68 68 A K E -B 11 0A 75 -57,-1.9 -57,-2.2 -2,-0.1 2,-0.6 -0.883 7.6-153.1-138.6 112.8 4.0 13.6 49.7 69 69 A V E +B 10 0A 34 -8,-0.5 -59,-0.3 -2,-0.3 3,-0.1 -0.748 20.9 168.8 -82.5 116.7 6.1 10.8 48.3 70 70 A T E + 0 0 96 -61,-2.5 2,-0.3 -2,-0.6 -60,-0.2 0.665 66.2 15.3-101.9 -23.6 8.2 9.3 51.1 71 71 A D E -B 9 0A 90 -62,-1.6 -62,-2.5 2,-0.0 2,-0.4 -0.990 52.5-172.3-150.7 144.1 9.5 6.2 49.3 72 72 A I E -B 8 0A 34 -2,-0.3 2,-0.4 -64,-0.2 -64,-0.2 -0.974 8.7-171.1-132.9 121.2 9.7 4.8 45.8 73 73 A S E -B 7 0A 50 -66,-2.5 -66,-2.3 -2,-0.4 2,-0.4 -0.917 7.4-171.5-106.8 139.6 10.8 1.2 45.2 74 74 A V E +B 6 0A 58 -2,-0.4 2,-0.3 -68,-0.2 -68,-0.2 -0.999 9.5 179.0-132.8 130.0 11.5 0.1 41.6 75 75 A T E -B 5 0A 89 -70,-2.1 -70,-3.0 -2,-0.4 2,-0.3 -0.960 18.2-149.0-122.8 152.8 12.2 -3.4 40.2 76 76 A E E -B 4 0A 131 -2,-0.3 2,-0.3 -72,-0.2 -72,-0.2 -0.864 17.0-179.8-128.8 156.2 12.8 -4.1 36.5 77 77 A S E -B 3 0A 49 -74,-2.0 -74,-2.7 -2,-0.3 -2,-0.0 -0.993 28.2-146.4-148.7 145.1 12.4 -6.8 33.9 78 78 A R S S+ 0 0 56 -2,-0.3 2,-0.9 -76,-0.2 -1,-0.1 0.568 81.0 96.1 -81.9 -11.6 13.2 -7.1 30.1 79 79 A S - 0 0 69 -76,-0.1 2,-0.4 2,-0.0 -77,-0.0 -0.721 59.7-171.0 -86.4 104.1 10.0 -9.2 29.8 80 80 A L - 0 0 52 -2,-0.9 -2,-0.1 1,-0.1 -77,-0.0 -0.779 25.0-145.4 -96.9 140.7 7.1 -7.0 28.7 81 81 A E - 0 0 74 -2,-0.4 -1,-0.1 1,-0.0 -49,-0.0 0.489 46.2-113.6 -80.6 -3.0 3.5 -8.2 28.7 82 82 A G - 0 0 51 1,-0.2 -50,-0.1 -51,-0.1 -2,-0.0 0.780 49.9-178.7 75.4 28.8 2.9 -6.1 25.6 83 83 A H - 0 0 71 -52,-0.1 2,-0.4 1,-0.0 -1,-0.2 -0.258 13.7-159.4 -56.9 142.5 0.5 -3.7 27.3 84 84 A H + 0 0 164 -52,-0.1 -52,-0.1 -53,-0.1 -53,-0.1 -0.935 57.5 13.1-115.6 148.8 -1.0 -1.0 25.3 85 85 A R S S- 0 0 91 -2,-0.4 -53,-2.5 1,-0.1 2,-0.5 0.304 77.2-104.0 70.3 158.3 -2.5 2.0 27.0 86 86 A F E -d 32 0A 8 -55,-0.3 2,-0.3 -64,-0.1 -53,-0.3 -0.974 41.8-170.5-124.0 117.5 -2.1 3.1 30.6 87 87 A S E -d 33 0A 55 -55,-2.1 -53,-2.0 -2,-0.5 2,-0.7 -0.782 31.8-131.5-114.5 148.5 -5.1 2.5 32.8 88 88 A I E -d 34 0A 49 -2,-0.3 2,-0.3 -55,-0.2 -53,-0.2 -0.903 48.0-165.4 -86.0 117.8 -6.3 3.4 36.3 89 89 A V 0 0 46 -55,-2.4 -53,-0.4 -2,-0.7 -56,-0.0 -0.721 360.0 360.0-119.2 157.8 -7.3 -0.1 37.4 90 90 A Y 0 0 215 -2,-0.3 -1,-0.1 -55,-0.1 -55,-0.1 0.309 360.0 360.0-126.6 360.0 -9.3 -1.6 40.2