==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-AUG-08 2K7J . COMPND 2 MOLECULE: ACYLPHOSPHATASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.V.GRIBENKO,M.M.PATEL,J.LIU,S.A.MCCALLUM,C.WANG, . 99 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6783.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 53 53.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 15.2 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 1.0 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 . 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 . 8 8.1 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 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.0 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 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 . 3 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 G 0 0 126 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-179.8 2.1 0.0 -1.2 2 2 A A - 0 0 103 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.796 360.0-141.8-107.8 149.9 1.3 -1.3 -4.7 3 3 A E + 0 0 181 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.777 45.3 117.4-109.4 153.9 1.7 -4.9 -6.0 4 4 A G + 0 0 44 -2,-0.3 2,-1.1 1,-0.0 53,-0.3 0.329 17.7 165.1 151.3 62.4 2.9 -6.1 -9.4 5 5 A N + 0 0 129 51,-0.1 2,-0.8 50,-0.1 -2,-0.0 -0.672 15.5 156.8 -99.6 79.2 6.1 -8.1 -9.5 6 6 A T - 0 0 62 -2,-1.1 50,-2.8 80,-0.0 2,-0.5 -0.847 21.3-166.8-108.6 98.1 6.0 -9.7 -13.0 7 7 A L E +A 55 0A 33 -2,-0.8 80,-1.6 80,-0.3 2,-0.2 -0.716 19.2 158.0 -87.1 127.7 9.4 -10.6 -14.2 8 8 A I E -AB 54 86A 9 46,-2.3 46,-2.0 -2,-0.5 2,-0.3 -0.781 31.9-137.9-137.3-179.2 9.7 -11.4 -17.9 9 9 A S E +A 53 0A 13 76,-1.5 2,-0.4 -2,-0.2 44,-0.2 -0.857 21.1 172.9-151.2 110.5 12.3 -11.6 -20.7 10 10 A V E -A 52 0A 12 42,-1.1 42,-2.9 -2,-0.3 2,-0.4 -0.964 8.9-166.7-122.8 135.8 11.7 -10.3 -24.3 11 11 A D E +A 51 0A 63 -2,-0.4 71,-0.6 72,-0.3 72,-0.5 -0.942 14.3 159.4-122.7 143.1 14.3 -10.1 -27.1 12 12 A Y E -A 50 0A 13 38,-2.4 38,-1.9 -2,-0.4 2,-0.6 -0.951 39.6-117.9-152.4 169.3 14.1 -8.3 -30.4 13 13 A E E -A 49 0A 33 -2,-0.3 36,-0.3 36,-0.3 67,-0.1 -0.787 31.6-147.6-118.1 87.3 16.2 -6.9 -33.3 14 14 A I E -A 48 0A 10 34,-1.5 34,-1.7 -2,-0.6 65,-0.2 -0.150 15.2-142.3 -51.6 143.9 15.6 -3.1 -33.5 15 15 A F + 0 0 52 63,-1.2 32,-0.1 32,-0.2 -1,-0.1 -0.222 50.5 72.3 -97.8-169.9 15.8 -1.7 -37.0 16 16 A G S S- 0 0 22 30,-0.2 2,-2.5 60,-0.2 60,-0.2 -0.191 100.6 -41.9 91.2 173.5 17.2 1.5 -38.4 17 17 A K S S+ 0 0 111 1,-0.2 58,-0.5 56,-0.1 -1,-0.1 -0.416 84.5 131.0 -76.1 68.4 20.8 2.8 -38.8 18 18 A V + 0 0 4 -2,-2.5 2,-0.4 28,-0.3 3,-0.2 0.009 44.4 94.8-108.9 25.9 21.9 1.5 -35.4 19 19 A Q S S+ 0 0 103 1,-0.2 3,-0.1 27,-0.1 29,-0.1 -0.972 81.6 20.0-122.8 130.9 25.0 -0.2 -36.8 20 20 A G S S+ 0 0 75 -2,-0.4 2,-0.2 1,-0.3 -1,-0.2 0.693 103.2 98.9 89.5 20.9 28.5 1.3 -36.8 21 21 A V S S- 0 0 28 -3,-0.2 2,-0.6 0, 0.0 -1,-0.3 -0.696 79.1-106.5-128.6-178.8 27.8 3.9 -34.2 22 22 A F S S+ 0 0 130 -2,-0.2 51,-0.1 1,-0.2 -3,-0.1 -0.706 73.2 111.9-115.0 78.8 28.3 4.5 -30.5 23 23 A F >> + 0 0 10 -2,-0.6 4,-2.4 -5,-0.1 3,-1.6 0.620 57.3 77.7-116.8 -27.7 24.9 4.0 -28.8 24 24 A R H 3> S+ 0 0 57 -3,-0.3 4,-1.9 1,-0.3 5,-0.3 0.859 87.1 64.5 -52.0 -38.2 25.4 0.8 -26.8 25 25 A K H 34 S+ 0 0 108 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.842 113.2 33.2 -55.2 -34.8 27.3 2.9 -24.3 26 26 A H H <> S+ 0 0 107 -3,-1.6 4,-2.4 2,-0.2 5,-0.2 0.719 108.1 68.7 -92.8 -26.2 24.0 4.7 -23.6 27 27 A T H X S+ 0 0 9 -4,-2.4 4,-0.7 1,-0.2 -2,-0.2 0.848 105.5 42.1 -61.2 -34.8 21.8 1.7 -24.2 28 28 A Q H < S+ 0 0 48 -4,-1.9 4,-0.5 -5,-0.2 -1,-0.2 0.748 110.8 57.7 -83.1 -26.1 23.2 0.1 -21.1 29 29 A A H >> S+ 0 0 44 -4,-0.4 3,-1.8 -5,-0.3 4,-0.9 0.947 103.1 50.6 -68.8 -50.3 23.0 3.3 -19.1 30 30 A E H 3X S+ 0 0 25 -4,-2.4 4,-1.0 1,-0.3 3,-0.4 0.823 102.0 64.3 -57.7 -31.9 19.3 3.9 -19.6 31 31 A G H 3X>S+ 0 0 1 -4,-0.7 5,-2.5 -5,-0.2 4,-2.2 0.741 97.2 56.6 -64.7 -22.4 18.7 0.4 -18.4 32 32 A K H <45S+ 0 0 146 -3,-1.8 -1,-0.2 -4,-0.5 -2,-0.2 0.821 94.8 65.3 -77.9 -32.8 20.1 1.4 -15.0 33 33 A K H <5S+ 0 0 153 -4,-0.9 -2,-0.2 -3,-0.4 -1,-0.2 0.911 118.1 24.9 -55.3 -45.5 17.5 4.2 -14.6 34 34 A L H <5S- 0 0 49 -4,-1.0 -2,-0.2 2,-0.1 -1,-0.2 0.870 112.3-114.7 -87.1 -42.8 14.7 1.6 -14.5 35 35 A G T <5 + 0 0 49 -4,-2.2 2,-0.2 -5,-0.2 -3,-0.2 0.754 60.2 145.2 109.6 39.2 16.7 -1.4 -13.3 36 36 A L < - 0 0 4 -5,-2.5 59,-0.4 18,-0.1 18,-0.2 -0.662 30.5-151.0-105.4 162.3 16.6 -3.8 -16.2 37 37 A V B +C 53 0A 6 16,-2.9 16,-2.3 -2,-0.2 2,-0.3 -0.613 37.3 97.4-121.7-177.8 19.2 -6.3 -17.4 38 38 A G E -e 95 0B 1 56,-0.5 58,-0.9 -2,-0.2 2,-0.3 -0.996 58.1 -83.2 140.9-145.5 20.1 -7.9 -20.7 39 39 A W E -e 96 0B 67 12,-0.4 12,-1.2 -2,-0.3 2,-0.4 -0.979 20.6-144.2-163.5 153.2 22.7 -7.3 -23.4 40 40 A V E +e 97 0B 4 56,-0.6 58,-1.9 -2,-0.3 2,-0.3 -0.976 27.6 147.6-127.8 139.1 23.3 -5.2 -26.6 41 41 A Q - 0 0 79 -2,-0.4 8,-1.3 8,-0.2 2,-0.1 -0.916 34.2-126.8-168.5 139.9 25.1 -6.1 -29.8 42 42 A N B -D 48 0A 58 -2,-0.3 6,-0.2 6,-0.2 2,-0.2 -0.314 23.4-142.0 -84.5 171.0 24.8 -5.3 -33.5 43 43 A T - 0 0 17 4,-1.7 -1,-0.1 -2,-0.1 3,-0.0 -0.675 25.5-107.9-125.4-179.9 24.6 -7.8 -36.4 44 44 A D S S+ 0 0 173 -2,-0.2 -2,-0.0 1,-0.2 -25,-0.0 0.011 110.1 61.1 -98.9 26.8 25.9 -8.3 -39.9 45 45 A R S S- 0 0 186 2,-0.2 -1,-0.2 0, 0.0 3,-0.1 0.651 120.1 -87.8-119.1 -35.5 22.5 -7.6 -41.4 46 46 A G S S+ 0 0 26 1,-0.3 -28,-0.3 -28,-0.1 2,-0.2 0.613 91.3 83.2 127.5 34.2 21.7 -4.0 -40.3 47 47 A T - 0 0 20 -32,-0.1 -4,-1.7 -29,-0.1 2,-0.4 -0.850 66.3-117.3-147.8-177.7 20.0 -4.3 -36.9 48 48 A V E -AD 14 42A 6 -34,-1.7 -34,-1.5 -2,-0.2 2,-1.4 -0.943 15.3-143.8-136.6 113.8 20.6 -4.7 -33.2 49 49 A Q E +A 13 0A 89 -8,-1.3 2,-0.4 -2,-0.4 -36,-0.3 -0.600 34.5 171.2 -77.5 93.5 19.5 -7.8 -31.2 50 50 A G E -A 12 0A 8 -38,-1.9 -38,-2.4 -2,-1.4 2,-0.3 -0.868 17.1-159.2-110.0 140.4 18.5 -6.2 -27.8 51 51 A K E -A 11 0A 32 -12,-1.2 2,-0.6 -2,-0.4 -12,-0.4 -0.890 8.2-151.2-117.5 147.3 16.8 -7.9 -24.9 52 52 A L E -A 10 0A 3 -42,-2.9 -42,-1.1 -2,-0.3 2,-0.5 -0.832 18.8-179.7-120.3 92.9 14.8 -6.3 -22.1 53 53 A Q E +AC 9 37A 6 -16,-2.3 -16,-2.9 -2,-0.6 -44,-0.2 -0.793 38.7 61.9 -95.6 129.8 14.9 -8.5 -18.9 54 54 A G E S-A 8 0A 0 -46,-2.0 -46,-2.3 -2,-0.5 2,-0.2 -0.948 86.1 -20.5 152.4-171.7 13.1 -7.3 -15.8 55 55 A P E >> -A 7 0A 25 0, 0.0 4,-2.6 0, 0.0 3,-2.0 -0.445 49.2-132.0 -69.7 136.2 9.7 -6.4 -14.3 56 56 A I H 3> S+ 0 0 44 -50,-2.8 4,-2.8 1,-0.3 5,-0.2 0.819 103.5 74.4 -56.1 -31.7 7.0 -5.5 -16.8 57 57 A S H 34 S+ 0 0 68 -53,-0.3 -1,-0.3 1,-0.2 -52,-0.1 0.802 113.6 24.1 -52.2 -30.0 6.2 -2.5 -14.7 58 58 A K H X> S+ 0 0 84 -3,-2.0 4,-2.3 2,-0.1 3,-1.8 0.760 115.7 63.5-104.0 -37.8 9.4 -1.0 -16.2 59 59 A V H 3X S+ 0 0 4 -4,-2.6 4,-2.7 1,-0.3 5,-0.2 0.866 92.8 66.1 -55.7 -38.2 9.6 -3.0 -19.4 60 60 A R H 3< S+ 0 0 125 -4,-2.8 -1,-0.3 1,-0.2 4,-0.1 0.775 112.0 35.0 -55.5 -26.4 6.4 -1.4 -20.5 61 61 A E H X> S+ 0 0 107 -3,-1.8 4,-1.2 -5,-0.2 3,-0.9 0.773 113.5 56.5 -97.0 -34.4 8.3 1.9 -20.6 62 62 A M H 3X S+ 0 0 2 -4,-2.3 4,-1.2 1,-0.2 5,-0.3 0.798 95.9 67.2 -67.6 -28.8 11.7 0.5 -21.8 63 63 A Q H 3X S+ 0 0 54 -4,-2.7 4,-0.8 1,-0.2 -1,-0.2 0.780 106.4 41.4 -62.3 -26.6 9.9 -1.0 -24.8 64 64 A K H <>>S+ 0 0 104 -3,-0.9 5,-2.3 -5,-0.2 4,-2.1 0.730 103.9 65.7 -91.5 -26.7 9.3 2.6 -26.0 65 65 A W H <5S+ 0 0 93 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.1 0.775 116.2 29.7 -65.8 -26.2 12.8 3.9 -25.0 66 66 A L H <5S+ 0 0 20 -4,-1.2 -1,-0.2 2,-0.1 -2,-0.2 0.678 124.7 47.4-103.8 -26.2 14.3 1.6 -27.6 67 67 A E H <5S+ 0 0 72 -4,-0.8 -3,-0.2 -5,-0.3 -2,-0.2 0.954 133.7 11.0 -79.5 -56.3 11.3 1.6 -30.1 68 68 A T T <5S+ 0 0 96 -4,-2.1 -3,-0.2 -5,-0.1 8,-0.2 0.889 132.4 42.4 -89.0 -47.7 10.6 5.3 -30.2 69 69 A R < + 0 0 179 -5,-2.3 2,-0.1 1,-0.1 6,-0.0 -0.344 58.8 127.8 -93.2 177.0 13.7 6.7 -28.5 70 70 A G - 0 0 34 -2,-0.1 -1,-0.1 4,-0.1 5,-0.1 -0.394 60.7 -36.6 177.3 -92.0 17.3 5.7 -28.8 71 71 A S - 0 0 30 3,-0.3 5,-0.1 1,-0.1 -48,-0.1 -0.988 39.2-115.9-159.3 160.6 20.2 8.0 -29.4 72 72 A P S S+ 0 0 127 0, 0.0 -1,-0.1 0, 0.0 -49,-0.1 0.813 112.8 47.8 -69.8 -31.4 21.2 11.2 -31.4 73 73 A E S S+ 0 0 122 -51,-0.1 -50,-0.1 -3,-0.0 -56,-0.1 0.993 111.3 43.3 -72.7 -71.1 23.8 9.2 -33.5 74 74 A S S S- 0 0 3 -56,-0.1 2,-0.3 1,-0.1 -3,-0.3 -0.079 77.3-141.2 -69.0 174.4 21.8 6.1 -34.6 75 75 A H - 0 0 121 -58,-0.5 2,-0.4 -5,-0.1 -6,-0.1 -0.963 7.4-148.1-139.9 156.1 18.2 6.2 -35.9 76 76 A I + 0 0 31 -2,-0.3 -60,-0.2 -60,-0.2 3,-0.1 -0.863 20.9 165.9-130.3 98.7 15.1 4.1 -35.6 77 77 A D S S- 0 0 128 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.759 76.0 -9.6 -79.9 -26.5 12.7 4.1 -38.6 78 78 A K + 0 0 121 2,-0.0 -63,-1.2 -11,-0.0 2,-0.3 -0.978 62.2 178.9-166.7 157.9 10.8 1.1 -37.2 79 79 A A + 0 0 8 -2,-0.3 2,-0.3 -65,-0.2 -65,-0.1 -0.986 1.0 176.9-162.2 158.5 10.9 -1.6 -34.5 80 80 A N - 0 0 100 -2,-0.3 -67,-0.2 -67,-0.1 2,-0.2 -0.969 23.9-113.7-158.7 168.9 9.0 -4.6 -33.2 81 81 A F - 0 0 131 -2,-0.3 -69,-0.1 1,-0.2 -2,-0.0 -0.665 8.6-154.9-108.7 165.2 9.0 -7.3 -30.6 82 82 A K - 0 0 116 -71,-0.6 2,-0.2 -2,-0.2 -1,-0.2 0.844 63.8 -44.8-100.7 -72.2 9.2 -11.1 -30.9 83 83 A N - 0 0 95 -72,-0.5 -72,-0.3 -74,-0.0 -1,-0.0 -0.694 50.4-134.9-171.5 112.7 7.7 -12.9 -27.9 84 84 A E - 0 0 80 -2,-0.2 2,-0.4 -74,-0.2 -74,-0.2 -0.118 18.0-144.0 -64.3 166.1 8.1 -12.1 -24.2 85 85 A K - 0 0 111 -76,-0.1 -76,-1.5 2,-0.0 2,-0.7 -0.974 7.4-135.5-140.8 123.6 8.7 -14.9 -21.7 86 86 A V B +B 8 0A 107 -2,-0.4 2,-0.3 -78,-0.2 -78,-0.2 -0.674 36.3 170.5 -80.8 111.5 7.4 -15.1 -18.1 87 87 A I - 0 0 40 -80,-1.6 -80,-0.3 -2,-0.7 3,-0.1 -0.755 39.0-139.8-118.4 166.0 10.2 -16.2 -15.8 88 88 A L S S+ 0 0 148 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.754 89.5 21.2 -93.6 -30.3 10.6 -16.4 -12.0 89 89 A K S S- 0 0 170 -82,-0.1 2,-0.4 -35,-0.0 -1,-0.3 -0.999 80.6-114.6-142.1 142.9 14.2 -15.1 -11.9 90 90 A L - 0 0 48 -2,-0.3 -81,-0.0 1,-0.1 -37,-0.0 -0.625 15.6-143.4 -79.0 126.8 16.3 -13.1 -14.3 91 91 A D S S+ 0 0 135 -2,-0.4 2,-0.2 2,-0.0 -1,-0.1 0.798 87.8 56.8 -57.4 -29.0 19.3 -15.0 -15.8 92 92 A Y - 0 0 84 1,-0.1 -2,-0.1 -3,-0.0 3,-0.1 -0.689 62.7-161.9-104.6 158.7 21.3 -11.7 -15.5 93 93 A S S S+ 0 0 118 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.680 76.6 11.9-107.9 -29.0 21.9 -9.6 -12.5 94 94 A D S S- 0 0 95 -56,-0.1 -56,-0.5 2,-0.0 -1,-0.3 -0.979 82.6 -95.4-148.3 158.0 22.9 -6.3 -14.2 95 95 A F E +e 38 0B 13 -59,-0.4 2,-0.3 -2,-0.3 -56,-0.1 -0.541 46.6 169.8 -77.3 138.3 22.9 -4.8 -17.7 96 96 A Q E -e 39 0B 117 -58,-0.9 -56,-0.6 -2,-0.2 2,-0.3 -0.981 30.2-118.0-147.3 156.8 26.1 -5.1 -19.7 97 97 A I E -e 40 0B 50 -2,-0.3 2,-0.4 -58,-0.2 -56,-0.1 -0.766 25.3-128.0 -99.6 142.8 27.3 -4.5 -23.3 98 98 A V 0 0 48 -58,-1.9 -56,-0.2 -2,-0.3 -74,-0.0 -0.738 360.0 360.0 -91.6 133.6 28.6 -7.2 -25.6 99 99 A K 0 0 228 -2,-0.4 -1,-0.0 -58,-0.1 -58,-0.0 -0.611 360.0 360.0 -85.2 360.0 32.0 -6.7 -27.3