==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(ACTING ON ACID ANHYDRIDES) 20-FEB-91 1APS . COMPND 2 MOLECULE: ACYLPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; . AUTHOR V.SAUDEK,A.PASTORE,G.RAMPONI,R.J.P.WILLIAMS . 98 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5677.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 78 79.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 25.5 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 . 0 0.0 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 . 1 1.0 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 . 26 26.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 1 0 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 S > 0 0 71 0, 0.0 3,-2.4 0, 0.0 85,-0.2 0.000 360.0 360.0 360.0 177.4 13.4 7.7 -15.0 2 2 A T T 3 + 0 0 104 1,-0.3 84,-0.1 83,-0.3 4,-0.1 0.615 360.0 77.4 -50.4 -33.1 13.4 3.9 -15.2 3 3 A A T 3 S+ 0 0 74 82,-0.1 -1,-0.3 2,-0.1 83,-0.1 0.659 85.7 74.9 -51.9 -23.3 17.3 3.7 -15.1 4 4 A R S < S- 0 0 101 -3,-2.4 2,-2.6 82,-0.2 82,-0.0 -0.886 86.1-133.7 -96.5 119.2 17.0 4.4 -11.3 5 5 A P + 0 0 70 0, 0.0 50,-2.7 0, 0.0 2,-0.5 -0.329 68.2 120.4 -71.9 60.0 15.8 1.5 -9.2 6 6 A L E -AB 54 86A 36 -2,-2.6 80,-2.8 80,-0.7 2,-0.6 -0.975 51.4-156.8-124.6 106.8 13.3 3.7 -7.3 7 7 A K E -AB 53 85A 65 46,-2.0 46,-0.8 -2,-0.5 2,-0.8 -0.827 15.4-158.5-107.1 112.1 9.8 2.2 -7.9 8 8 A S E +AB 52 84A 18 76,-2.3 76,-2.6 -2,-0.6 2,-0.3 -0.861 27.3 176.2 -85.1 104.6 6.6 4.2 -7.6 9 9 A V E -AB 51 83A 3 42,-3.1 42,-3.0 -2,-0.8 2,-0.4 -0.902 20.9-141.5-109.8 143.6 4.0 1.5 -7.1 10 10 A D E -A 50 0A 29 72,-2.3 71,-1.4 -2,-0.3 2,-0.3 -0.867 17.1-165.6-109.0 142.2 0.3 1.9 -6.4 11 11 A Y E -AB 49 80A 4 38,-1.7 38,-0.7 -2,-0.4 2,-0.3 -0.782 10.2-158.8-120.3 159.6 -1.8 -0.2 -4.0 12 12 A E E -AB 48 79A 65 67,-1.8 67,-2.6 -2,-0.3 2,-0.6 -0.865 3.2-161.3-144.8 116.8 -5.4 -0.9 -3.3 13 13 A V E -AB 47 78A 0 34,-2.7 2,-1.9 -2,-0.3 34,-1.3 -0.907 23.7-133.9 -89.5 121.7 -6.8 -2.3 -0.0 14 14 A F E +A 46 0A 69 63,-2.9 2,-1.5 -2,-0.6 32,-0.2 -0.491 35.6 166.7 -85.3 71.5 -10.3 -3.7 -0.7 15 15 A G > - 0 0 0 -2,-1.9 3,-1.2 30,-0.7 -1,-0.1 -0.574 17.8-167.5 -86.3 73.1 -12.2 -2.1 2.3 16 16 A R T 3 S+ 0 0 163 -2,-1.5 2,-0.3 1,-0.3 -1,-0.2 0.694 80.7 12.6 -33.0 -59.1 -15.6 -3.0 0.9 17 17 A V T 3 S- 0 0 138 1,-0.3 -1,-0.3 -3,-0.1 27,-0.1 -0.751 113.3-100.7-125.6 72.9 -17.6 -0.8 3.3 18 18 A Q S < S+ 0 0 119 -3,-1.2 2,-1.4 -2,-0.3 -1,-0.3 -0.064 78.0 120.8 53.3-139.1 -14.9 1.3 5.0 19 19 A G + 0 0 47 1,-0.2 2,-0.9 -3,-0.1 54,-0.3 0.009 38.9 133.5 78.4 -37.7 -13.6 0.3 8.5 20 20 A V - 0 0 20 -2,-1.4 2,-1.5 25,-0.1 3,-0.3 -0.382 38.7-166.9 -54.1 99.9 -10.0 -0.1 7.3 21 21 A C + 0 0 51 -2,-0.9 51,-0.2 1,-0.2 52,-0.2 -0.706 31.1 147.3 -94.8 75.3 -7.7 1.7 9.8 22 22 A F > + 0 0 2 -2,-1.5 4,-2.2 48,-0.1 -1,-0.2 0.640 38.1 109.0 -78.8 -29.9 -4.6 1.6 7.6 23 23 A R T 4 S+ 0 0 68 -3,-0.3 2,-2.5 2,-0.2 73,-0.1 -0.024 81.5 9.2 -50.4 155.7 -3.4 4.9 9.1 24 24 A M T > S+ 0 0 110 1,-0.2 4,-2.4 71,-0.1 5,-0.4 -0.474 121.4 67.1 63.9 -57.2 -0.4 5.2 11.5 25 25 A Y H > S+ 0 0 20 -2,-2.5 4,-1.9 2,-0.2 5,-0.4 0.896 106.2 42.1 -46.3 -55.2 0.5 1.6 10.8 26 26 A A H X S+ 0 0 0 -4,-2.2 4,-3.1 3,-0.2 5,-0.3 0.975 116.2 47.3 -53.1 -69.0 1.3 2.5 7.2 27 27 A E H > S+ 0 0 24 68,-0.3 4,-2.3 1,-0.2 67,-0.3 0.807 117.2 39.6 -38.9 -63.6 3.2 5.8 8.1 28 28 A D H X S+ 0 0 85 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.901 120.6 41.2 -63.3 -52.1 5.4 4.5 10.9 29 29 A E H X S+ 0 0 69 -4,-1.9 4,-2.5 -5,-0.4 -1,-0.2 0.903 112.9 54.5 -69.3 -36.7 6.3 1.1 9.5 30 30 A A H X>S+ 0 0 0 -4,-3.1 5,-2.8 -5,-0.4 4,-1.8 0.889 106.8 52.3 -62.6 -41.4 6.8 2.5 5.9 31 31 A R H ><5S+ 0 0 153 -4,-2.3 3,-0.5 -5,-0.3 -2,-0.2 0.965 110.9 47.7 -53.1 -51.7 9.3 5.0 7.4 32 32 A K H 3<5S+ 0 0 133 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.815 109.8 51.7 -61.3 -40.0 11.1 2.1 9.1 33 33 A I H 3<5S- 0 0 39 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.825 121.0-111.8 -61.6 -34.0 11.1 0.1 5.7 34 34 A G T <<5 + 0 0 25 -4,-1.8 2,-0.3 -3,-0.5 -3,-0.2 0.714 68.8 137.0 99.3 36.9 12.6 3.3 4.1 35 35 A V < - 0 0 2 -5,-2.8 59,-0.6 18,-0.1 -1,-0.3 -0.861 36.5-158.1-123.0 158.6 9.7 4.3 1.9 36 36 A V E +C 52 0A 13 16,-3.2 16,-3.3 -2,-0.3 58,-0.4 -0.726 40.6 78.0-126.2 155.6 7.8 7.5 0.9 37 37 A G E -Cd 51 94A 0 56,-2.5 58,-1.8 -2,-0.2 2,-0.3 -0.973 56.6 -93.8 143.5-144.7 4.3 8.2 -0.5 38 38 A W E -C 50 0A 31 12,-2.1 12,-0.6 -2,-0.3 2,-0.4 -0.963 17.3-105.6-166.0 168.2 0.7 8.5 0.7 39 39 A V E -Cd 49 97A 4 57,-2.2 59,-2.0 -2,-0.3 2,-0.5 -0.877 22.5-153.0-107.5 136.5 -2.8 7.0 1.4 40 40 A K E -C 48 0A 95 8,-3.1 8,-2.1 -2,-0.4 2,-0.5 -0.976 9.2-156.0-115.1 114.3 -5.9 7.8 -0.7 41 41 A N - 0 0 76 -2,-0.5 2,-0.2 6,-0.2 6,-0.1 -0.806 14.9-173.2 -93.5 119.2 -9.2 7.6 1.2 42 42 A T > - 0 0 40 -2,-0.5 3,-0.7 4,-0.1 5,-0.0 -0.558 39.2 -97.6 -98.7 179.8 -12.2 7.0 -1.0 43 43 A S T 3 S+ 0 0 98 1,-0.2 2,-0.7 -2,-0.2 -1,-0.1 0.961 119.6 39.9 -58.0 -52.7 -16.0 6.9 -0.3 44 44 A K T 3 S- 0 0 150 -27,-0.1 -1,-0.2 2,-0.1 2,-0.1 -0.541 118.4 -97.0-110.1 49.4 -16.1 3.1 -0.0 45 45 A G < + 0 0 4 -2,-0.7 2,-1.6 -3,-0.7 -30,-0.7 0.370 68.8 148.6 60.5 3.3 -12.9 2.2 1.9 46 46 A T E -A 14 0A 36 -32,-0.2 2,-1.0 -30,-0.2 -32,-0.2 -0.636 37.1-156.2 -64.8 83.5 -10.7 1.3 -1.1 47 47 A V E +A 13 0A 11 -2,-1.6 -34,-2.7 -34,-1.3 -6,-0.2 -0.677 29.3 157.4 -75.3 94.0 -7.6 2.6 0.6 48 48 A T E +AC 12 40A 24 -8,-2.1 -8,-3.1 -2,-1.0 2,-0.2 -0.348 2.5 117.7-102.6-169.5 -5.4 3.3 -2.4 49 49 A G E -AC 11 39A 1 -38,-0.7 -38,-1.7 -10,-0.3 2,-0.4 -0.768 53.8 -49.3 135.6-164.0 -2.3 5.6 -2.9 50 50 A Q E -AC 10 38A 58 -12,-0.6 -12,-2.1 -2,-0.2 2,-0.5 -0.812 25.7-170.8-123.7 131.1 1.4 5.7 -3.7 51 51 A V E +AC 9 37A 6 -42,-3.0 -42,-3.1 -2,-0.4 2,-0.4 -0.985 13.6 175.0-119.9 108.7 4.5 3.8 -2.5 52 52 A Q E +AC 8 36A 9 -16,-3.3 -16,-3.2 -2,-0.5 -44,-0.2 -0.982 20.8 130.1-112.0 131.4 7.8 5.3 -3.8 53 53 A G E -A 7 0A 0 -46,-0.8 -46,-2.0 -2,-0.4 -18,-0.1 -0.966 61.1 -75.0-168.2 158.8 11.0 3.7 -2.4 54 54 A P E >> -A 6 0A 33 0, 0.0 4,-2.0 0, 0.0 3,-0.8 -0.394 61.3 -98.4 -59.8 142.6 14.4 2.2 -3.4 55 55 A E H 3> S+ 0 0 104 -50,-2.7 4,-2.2 1,-0.2 5,-0.2 0.823 119.7 45.6 -33.1 -66.0 14.0 -1.3 -4.9 56 56 A E H 3> S+ 0 0 113 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.852 114.1 51.4 -51.9 -36.4 14.8 -3.5 -1.9 57 57 A K H <> S+ 0 0 78 -3,-0.8 4,-2.7 2,-0.2 -1,-0.2 0.923 107.7 50.1 -72.7 -41.8 12.6 -1.4 0.3 58 58 A V H X S+ 0 0 2 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.874 107.6 55.6 -65.2 -33.9 9.5 -1.5 -2.0 59 59 A N H X S+ 0 0 97 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.899 109.7 45.9 -57.1 -47.6 10.0 -5.3 -2.1 60 60 A S H X S+ 0 0 50 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.936 110.7 53.4 -60.2 -45.0 9.8 -5.3 1.8 61 61 A M H < S+ 0 0 3 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.788 109.1 48.8 -58.8 -40.9 6.7 -3.0 1.6 62 62 A K H < S+ 0 0 65 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.764 107.4 53.4 -66.6 -40.2 5.0 -5.5 -0.8 63 63 A S H < S+ 0 0 88 -4,-1.6 4,-0.5 -3,-0.2 -2,-0.2 0.834 114.8 53.5 -58.5 -41.9 5.8 -8.4 1.6 64 64 A W S < S+ 0 0 11 -4,-2.1 2,-1.3 2,-0.2 4,-0.1 -0.072 91.4 50.8 -76.2 179.1 4.1 -6.1 4.1 65 65 A L S S+ 0 0 0 2,-0.8 -1,-0.1 1,-0.3 -3,-0.1 0.062 114.7 52.8 71.0 -36.7 0.6 -4.6 3.6 66 66 A S S S+ 0 0 51 -2,-1.3 2,-1.0 -4,-0.3 -1,-0.3 0.625 94.2 77.4 -78.9 -42.1 -0.5 -8.2 2.8 67 67 A K S S- 0 0 123 -4,-0.5 2,-0.8 -5,-0.1 -2,-0.8 -0.729 88.3-158.0 -61.7 99.6 1.3 -8.8 6.2 68 68 A V + 0 0 75 -2,-1.0 2,-0.3 -4,-0.1 -2,-0.0 -0.840 25.7 162.2-108.3 91.4 -1.8 -7.4 8.0 69 69 A G - 0 0 24 -2,-0.8 4,-0.1 5,-0.0 6,-0.1 -0.808 29.0-128.6 -99.4 158.7 -1.2 -6.1 11.5 70 70 A S + 0 0 74 -2,-0.3 4,-0.1 2,-0.1 -48,-0.1 -0.818 40.2 178.9-126.6 139.9 -3.8 -3.8 13.1 71 71 A P S S- 0 0 64 0, 0.0 -1,-0.1 0, 0.0 -49,-0.1 0.248 102.3 -31.5-102.1 8.2 -4.5 -0.5 14.9 72 72 A S S S+ 0 0 96 1,-0.5 2,-0.1 -51,-0.2 -2,-0.1 -0.149 122.4 26.4-178.7 -68.6 -8.3 -1.4 14.9 73 73 A S S S- 0 0 8 -54,-0.3 -1,-0.5 -52,-0.2 2,-0.4 -0.406 82.5 -81.8-114.6 173.1 -9.5 -3.5 12.0 74 74 A R - 0 0 170 -2,-0.1 2,-1.5 -4,-0.1 -1,-0.1 -0.700 32.6-129.9 -78.4 129.1 -8.3 -6.0 9.3 75 75 A I - 0 0 5 -2,-0.4 2,-1.1 -55,-0.1 3,-0.2 -0.725 34.8-148.0 -75.2 85.2 -6.6 -4.6 6.3 76 76 A D - 0 0 45 -2,-1.5 -62,-0.5 1,-0.2 -60,-0.1 -0.617 54.3 -30.1 -76.6 91.2 -8.9 -6.6 4.0 77 77 A R - 0 0 119 -2,-1.1 -63,-2.9 -64,-0.2 2,-0.5 0.976 58.3-153.5 68.4 112.9 -6.9 -7.6 0.9 78 78 A T E -B 13 0A 3 -65,-0.2 2,-0.4 -3,-0.2 -65,-0.2 -0.907 8.9-168.2-117.3 117.1 -4.2 -5.5 -0.6 79 79 A N E -B 12 0A 75 -67,-2.6 -67,-1.8 -2,-0.5 2,-0.7 -0.910 11.9-146.7-102.3 140.4 -3.4 -5.8 -4.3 80 80 A F E +B 11 0A 48 -2,-0.4 2,-0.3 -69,-0.2 -69,-0.2 -0.922 36.2 146.7-115.9 99.1 -0.2 -4.2 -5.8 81 81 A S E + 0 0 53 -71,-1.4 -71,-0.3 -2,-0.7 -2,-0.1 -0.993 39.5 52.0-137.7 156.9 -0.8 -3.0 -9.3 82 82 A N E - 0 0 106 -2,-0.3 -72,-2.3 1,-0.1 2,-0.5 0.768 61.9-173.1 69.4 90.4 0.6 -0.1 -11.4 83 83 A E E +B 9 0A 76 -74,-0.2 2,-0.4 -3,-0.1 -74,-0.2 -0.985 11.1 164.6-118.3 111.7 4.4 -0.5 -11.1 84 84 A K E -B 8 0A 104 -76,-2.6 -76,-2.3 -2,-0.5 2,-0.4 -0.949 29.3-139.6-137.6 110.4 6.5 2.3 -12.6 85 85 A T E +B 7 0A 44 -2,-0.4 -83,-0.3 -78,-0.3 -78,-0.3 -0.630 36.7 156.9 -68.5 123.4 10.2 2.9 -11.9 86 86 A I E -B 6 0A 43 -80,-2.8 -80,-0.7 -2,-0.4 2,-0.3 -0.367 38.4 -91.3-126.1-159.9 11.0 6.6 -11.6 87 87 A S S S+ 0 0 18 -2,-0.1 3,-0.2 1,-0.1 -85,-0.1 -0.979 74.3 0.4-132.0 143.7 13.7 8.8 -9.9 88 88 A K S S- 0 0 141 -2,-0.3 2,-1.0 1,-0.1 -1,-0.1 0.443 80.3 -84.8 59.0 157.3 13.9 10.4 -6.5 89 89 A L - 0 0 68 1,-0.1 2,-0.7 -37,-0.0 -1,-0.1 -0.774 41.0-169.6 -97.3 92.7 11.5 10.3 -3.5 90 90 A E + 0 0 142 -2,-1.0 2,-0.3 -3,-0.2 -1,-0.1 0.017 56.8 62.5 -83.0 34.6 9.0 13.1 -4.3 91 91 A Y S S- 0 0 87 -2,-0.7 2,-1.4 -39,-0.1 -53,-0.0 -0.993 86.4-104.8-155.6 150.4 7.2 13.2 -0.9 92 92 A S S S- 0 0 100 -2,-0.3 -2,-0.1 -56,-0.1 -56,-0.0 -0.685 83.5 -61.9 -78.2 85.8 7.7 13.9 2.8 93 93 A N S S- 0 0 80 -2,-1.4 -56,-2.5 -4,-0.1 2,-0.7 0.044 83.6 -48.7 59.8 176.7 7.6 10.3 4.0 94 94 A F E S+d 37 0A 4 -59,-0.6 -56,-0.3 -58,-0.4 -63,-0.2 -0.937 85.1 169.7 -78.7 112.5 4.8 7.8 3.7 95 95 A S E - 0 0 18 -58,-1.8 -68,-0.3 -2,-0.7 -71,-0.1 0.163 22.1 -51.3-108.7-139.5 2.1 10.0 5.1 96 96 A V E - 0 0 61 1,-0.2 -57,-2.2 -58,-0.1 2,-0.3 0.048 65.6 -53.6-104.2-170.8 -1.7 10.5 5.7 97 97 A R E d 39 0A 159 1,-0.2 -57,-0.2 -59,-0.1 -1,-0.2 -0.592 360.0 360.0 -76.8 126.0 -5.1 10.4 3.8 98 98 A Y 0 0 116 -59,-2.0 -58,-0.3 -2,-0.3 -1,-0.2 0.576 360.0 360.0-117.0 360.0 -5.4 12.5 0.7