==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ACYLPHOSPHATASE 03-NOV-03 1URR . COMPND 2 MOLECULE: CG18505 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR C.ROSANO,S.ZUCCOTTI,M.BOLOGNESI . 97 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6009.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 61 62.9 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 . 27 27.8 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 . 3 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 21.6 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 0 0 0 1 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 1 0 0 2 1 0 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 . 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 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 2 A V > 0 0 134 0, 0.0 3,-1.0 0, 0.0 53,-0.4 0.000 360.0 360.0 360.0 -26.6 7.8 21.0 42.7 2 3 A A T 3 + 0 0 87 1,-0.2 53,-0.2 51,-0.1 0, 0.0 0.664 360.0 45.6 -69.7 -16.2 8.9 23.8 45.0 3 4 A K T 3 S+ 0 0 151 50,-0.1 -1,-0.2 2,-0.1 2,-0.1 0.332 88.0 114.8-106.2 3.1 9.9 26.0 42.0 4 5 A Q < - 0 0 40 -3,-1.0 2,-0.5 1,-0.0 50,-0.4 -0.399 66.4-128.8 -64.5 147.6 6.7 25.2 40.1 5 6 A I E -A 85 0A 17 80,-0.7 80,-2.4 48,-0.2 2,-0.3 -0.901 25.1-168.1-103.7 132.1 4.4 28.1 39.6 6 7 A F E -AB 84 52A 27 46,-2.9 46,-2.2 -2,-0.5 2,-0.3 -0.831 2.7-154.3-120.8 162.9 0.7 27.8 40.6 7 8 A A E +AB 83 51A 10 76,-2.6 76,-2.0 -2,-0.3 2,-0.3 -0.975 13.9 168.7-139.2 147.9 -2.3 30.0 40.0 8 9 A L E - B 0 50A 4 42,-1.9 42,-2.7 -2,-0.3 2,-0.3 -0.989 25.5-131.2-154.8 155.5 -5.6 30.9 41.5 9 10 A D E - B 0 49A 73 72,-0.3 71,-2.1 -2,-0.3 2,-0.3 -0.828 28.4-171.9 -98.4 151.9 -8.5 33.3 41.2 10 11 A F E -CB 79 48A 7 38,-2.3 38,-2.2 -2,-0.3 2,-0.3 -0.975 18.2-169.5-145.2 154.7 -9.9 35.1 44.2 11 12 A E E -CB 78 47A 41 67,-2.1 67,-3.3 -2,-0.3 2,-0.4 -0.954 13.3-156.3-145.9 128.8 -12.8 37.3 45.3 12 13 A I E -CB 77 46A 0 34,-3.1 34,-2.1 -2,-0.3 2,-0.3 -0.911 9.1-163.0-113.2 132.3 -13.0 39.1 48.6 13 14 A F E +C 76 0A 43 63,-2.9 62,-2.2 -2,-0.4 63,-1.3 -0.848 43.9 48.0-116.0 150.6 -16.2 40.2 50.2 14 15 A G E S-C 74 0A 35 30,-0.4 2,-1.5 -2,-0.3 60,-0.2 -0.938 108.5 -11.0 128.6-154.2 -17.0 42.6 53.0 15 16 A R E S+C 73 0A 133 58,-2.2 58,-2.0 -2,-0.3 30,-0.1 -0.722 87.4 129.4 -81.0 91.2 -15.9 46.2 53.7 16 17 A V + 0 0 1 -2,-1.5 2,-0.3 28,-0.4 5,-0.2 0.296 45.9 75.2-132.3 0.2 -13.2 46.0 51.1 17 18 A Q S S+ 0 0 73 -3,-0.2 29,-0.0 27,-0.2 23,-0.0 -0.908 93.5 23.4-117.4 146.4 -13.8 49.1 49.0 18 19 A G S S+ 0 0 83 -2,-0.3 -1,-0.1 -3,-0.0 -3,-0.0 0.627 102.3 88.6 80.0 14.9 -12.9 52.7 50.1 19 20 A V S S- 0 0 21 -3,-0.2 53,-0.1 51,-0.0 -2,-0.1 0.058 106.4 -99.4-134.3 26.1 -10.2 51.4 52.4 20 21 A F S > S+ 0 0 137 1,-0.1 4,-2.5 51,-0.1 5,-0.2 0.720 71.7 148.1 60.6 27.4 -7.0 51.1 50.4 21 22 A F H > + 0 0 3 1,-0.2 4,-2.4 -5,-0.2 5,-0.2 0.871 67.7 49.8 -60.4 -42.7 -7.6 47.4 50.0 22 23 A R H > S+ 0 0 71 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.906 110.9 48.8 -66.4 -40.1 -6.1 47.2 46.5 23 24 A K H > S+ 0 0 133 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.898 112.9 48.1 -66.2 -41.7 -2.9 49.1 47.6 24 25 A H H X S+ 0 0 52 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.904 112.5 49.4 -62.1 -41.8 -2.6 46.8 50.6 25 26 A T H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.2 5,-0.2 0.924 110.8 48.6 -65.0 -47.0 -3.1 43.8 48.5 26 27 A S H X S+ 0 0 14 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.911 112.3 49.7 -58.7 -44.3 -0.5 44.9 45.9 27 28 A H H X S+ 0 0 125 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.934 114.0 44.1 -61.8 -47.5 2.0 45.6 48.7 28 29 A E H X S+ 0 0 27 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.922 112.8 51.0 -69.5 -39.3 1.5 42.2 50.4 29 30 A A H X>S+ 0 0 0 -4,-2.8 5,-3.0 1,-0.2 4,-0.5 0.951 112.6 47.0 -58.5 -49.7 1.6 40.2 47.1 30 31 A K H ><5S+ 0 0 113 -4,-2.4 3,-0.9 -5,-0.2 -1,-0.2 0.895 112.2 48.4 -65.1 -36.3 4.8 41.9 46.0 31 32 A R H 3<5S+ 0 0 152 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.846 112.1 49.5 -79.9 -16.8 6.5 41.4 49.3 32 33 A L H 3<5S- 0 0 18 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.452 118.3-111.6 -90.1 -1.4 5.5 37.7 49.4 33 34 A G T <<5S+ 0 0 37 -3,-0.9 2,-0.4 -4,-0.5 -3,-0.2 0.847 70.7 141.0 71.5 38.8 6.8 37.2 45.8 34 35 A V < - 0 0 3 -5,-3.0 -1,-0.3 -6,-0.2 18,-0.2 -0.912 35.3-157.0-115.9 137.0 3.3 36.7 44.4 35 36 A R E +D 51 0A 83 16,-3.2 16,-2.3 -2,-0.4 2,-0.3 -0.598 39.9 82.0-108.3 167.9 2.3 38.1 41.0 36 37 A G E -De 50 93A 1 56,-2.5 58,-2.0 14,-0.3 2,-0.3 -0.990 58.9 -94.3 143.0-147.6 -1.2 38.9 39.7 37 38 A W E -De 49 94A 50 12,-2.1 12,-1.6 -2,-0.3 2,-0.3 -0.982 18.7-158.1-162.6 165.0 -3.8 41.6 39.8 38 39 A C E -De 48 95A 0 56,-1.5 58,-2.9 -2,-0.3 2,-0.3 -0.981 6.3-172.4-149.3 165.2 -6.8 42.9 41.5 39 40 A M E -D 47 0A 55 8,-2.3 8,-2.4 -2,-0.3 2,-0.4 -0.986 30.1-111.6-151.6 152.0 -9.8 45.2 40.9 40 41 A N E -D 46 0A 43 56,-0.5 2,-0.2 -2,-0.3 6,-0.2 -0.742 43.3-145.2 -80.5 136.1 -12.7 46.7 42.6 41 42 A T > - 0 0 12 4,-2.8 3,-1.9 -2,-0.4 4,-0.1 -0.662 24.7-116.4-103.1 164.6 -16.0 45.2 41.2 42 43 A R T 3 S+ 0 0 236 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.615 114.8 65.7 -66.4 -11.9 -19.5 46.5 40.5 43 44 A D T 3 S- 0 0 112 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.416 120.3-107.3 -90.5 -1.7 -20.5 43.9 43.2 44 45 A G S < S+ 0 0 33 -3,-1.9 -28,-0.4 1,-0.3 -30,-0.4 0.704 85.7 109.5 80.8 21.1 -18.7 45.8 45.9 45 46 A T - 0 0 4 -32,-0.1 -4,-2.8 -4,-0.1 2,-0.4 -0.601 68.9-119.1-114.0 177.4 -16.0 43.2 46.1 46 47 A V E +BD 12 40A 0 -34,-2.1 -34,-3.1 -6,-0.2 2,-0.3 -0.994 36.0 178.3-120.1 128.1 -12.3 42.9 45.2 47 48 A K E +BD 11 39A 75 -8,-2.4 -8,-2.3 -2,-0.4 2,-0.3 -0.898 13.3 119.3-127.9 157.1 -11.4 40.2 42.6 48 49 A G E -BD 10 38A 5 -38,-2.2 -38,-2.3 -2,-0.3 2,-0.3 -0.959 45.4 -89.8 178.8-163.5 -8.3 39.1 40.9 49 50 A Q E -BD 9 37A 70 -12,-1.6 -12,-2.1 -2,-0.3 2,-0.3 -0.973 22.3-155.1-138.7 150.9 -5.7 36.5 40.2 50 51 A L E -BD 8 36A 1 -42,-2.7 -42,-1.9 -2,-0.3 2,-0.3 -0.958 6.0-173.4-125.1 147.6 -2.5 35.2 41.8 51 52 A E E +BD 7 35A 12 -16,-2.3 -16,-3.2 -2,-0.3 -44,-0.2 -0.986 32.5 115.8-136.6 129.3 0.6 33.4 40.4 52 53 A A E -B 6 0A 0 -46,-2.2 -46,-2.9 -2,-0.3 -18,-0.1 -0.959 67.5 -69.3-173.5 165.2 3.4 32.2 42.6 53 54 A P > - 0 0 21 0, 0.0 4,-2.9 0, 0.0 5,-0.2 -0.314 61.3-101.1 -59.9 152.5 5.2 29.1 43.9 54 55 A M H > S+ 0 0 61 -50,-0.4 4,-2.6 -53,-0.4 5,-0.2 0.858 119.8 50.5 -49.2 -50.6 2.9 27.0 46.3 55 56 A M H > S+ 0 0 142 -53,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.954 115.9 40.9 -56.0 -49.5 4.4 28.3 49.5 56 57 A N H > S+ 0 0 45 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.897 114.3 54.5 -63.6 -42.4 4.2 32.0 48.6 57 58 A L H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.922 108.5 46.9 -57.5 -48.8 0.7 31.4 47.0 58 59 A M H X S+ 0 0 54 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.851 109.1 55.5 -71.1 -31.8 -0.7 29.9 50.2 59 60 A E H X S+ 0 0 98 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.926 111.3 44.6 -59.9 -44.8 0.8 32.7 52.3 60 61 A M H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.911 111.1 52.4 -65.4 -44.6 -1.0 35.3 50.1 61 62 A K H X S+ 0 0 58 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.918 108.9 51.7 -57.7 -44.6 -4.2 33.3 50.2 62 63 A H H >X S+ 0 0 99 -4,-2.4 4,-1.6 1,-0.2 3,-0.5 0.928 109.2 49.8 -56.1 -45.4 -3.9 33.2 54.1 63 64 A W H 3X S+ 0 0 37 -4,-2.1 4,-0.5 1,-0.2 5,-0.5 0.916 108.7 52.2 -64.0 -38.7 -3.5 37.0 54.2 64 65 A L H 3< S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.747 120.5 33.3 -67.9 -25.9 -6.5 37.5 52.0 65 66 A E H << S+ 0 0 93 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.537 99.4 79.9-108.6 -3.1 -8.7 35.3 54.2 66 67 A N H < S- 0 0 81 -4,-1.6 -2,-0.1 -3,-0.2 -3,-0.1 0.631 86.5-137.6 -85.9 -12.9 -7.2 36.1 57.7 67 68 A N < + 0 0 73 -4,-0.5 -3,-0.1 -5,-0.1 -4,-0.1 0.881 67.5 118.0 60.5 45.3 -9.0 39.4 58.1 68 69 A R + 0 0 211 -5,-0.5 -1,-0.1 2,-0.1 5,-0.1 -0.269 33.5 130.0-130.9 45.9 -6.1 41.5 59.5 69 70 A I S > S- 0 0 4 3,-0.2 3,-1.6 -5,-0.1 5,-0.1 -0.879 71.1 -98.7-100.7 125.1 -6.0 44.0 56.6 70 71 A P T 3 S- 0 0 65 0, 0.0 -46,-0.1 0, 0.0 3,-0.1 -0.175 99.5 -7.0 -52.2 130.3 -6.0 47.5 57.9 71 72 A N T 3 S+ 0 0 107 1,-0.2 2,-0.2 -51,-0.0 -51,-0.1 0.171 110.2 112.0 67.7 -11.5 -9.4 49.2 57.8 72 73 A A < - 0 0 1 -3,-1.6 2,-0.4 -53,-0.1 -3,-0.2 -0.592 50.8-161.2 -90.6 150.9 -10.9 46.2 55.9 73 74 A K E -C 15 0A 99 -58,-2.0 -58,-2.2 -2,-0.2 2,-0.6 -0.930 12.5-157.8-130.0 104.0 -13.5 43.8 57.3 74 75 A V E -C 14 0A 17 -2,-0.4 -60,-0.3 -60,-0.2 3,-0.1 -0.763 16.3-179.1 -93.2 119.8 -13.6 40.6 55.3 75 76 A S E S- 0 0 90 -62,-2.2 2,-0.3 -2,-0.6 -61,-0.2 0.772 72.2 -16.9 -84.6 -28.3 -16.8 38.6 55.5 76 77 A K E -C 13 0A 99 -63,-1.3 -63,-2.9 2,-0.0 2,-0.4 -0.952 51.5-143.8-172.0 153.8 -15.5 35.9 53.2 77 78 A A E -C 12 0A 24 -2,-0.3 2,-0.4 -65,-0.2 -65,-0.2 -0.997 18.4-160.2-122.1 127.3 -12.8 35.1 50.7 78 79 A E E -C 11 0A 87 -67,-3.3 -67,-2.1 -2,-0.4 2,-0.3 -0.901 10.4-173.8-110.2 139.6 -13.6 32.8 47.7 79 80 A F E -C 10 0A 59 -2,-0.4 -69,-0.2 -69,-0.2 2,-0.1 -0.945 19.2-132.3-129.3 152.3 -11.0 31.0 45.6 80 81 A S - 0 0 40 -71,-2.1 2,-0.0 -2,-0.3 3,-0.0 -0.314 49.7 -75.6 -80.5 178.2 -10.9 28.9 42.5 81 82 A Q - 0 0 174 -2,-0.1 2,-0.4 1,-0.1 -72,-0.3 -0.374 53.7-105.8 -64.5 154.2 -9.0 25.6 42.4 82 83 A I - 0 0 70 -74,-0.1 2,-0.4 -3,-0.1 -74,-0.2 -0.726 39.4-171.9 -82.0 134.3 -5.2 25.8 42.2 83 84 A Q E -A 7 0A 121 -76,-2.0 -76,-2.6 -2,-0.4 2,-0.3 -0.969 22.2-124.6-124.4 143.2 -3.7 25.0 38.8 84 85 A E E -A 6 0A 103 -2,-0.4 2,-0.3 -78,-0.2 -78,-0.2 -0.681 28.7-164.3 -78.2 140.5 -0.1 24.6 37.9 85 86 A I E -A 5 0A 28 -80,-2.4 -80,-0.7 -2,-0.3 3,-0.1 -0.915 26.9-122.8-124.0 154.9 1.1 26.9 35.0 86 87 A E S S- 0 0 180 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.872 85.7 -20.6 -63.1 -40.9 4.2 26.7 32.9 87 88 A D S S- 0 0 104 -83,-0.1 -1,-0.2 -3,-0.0 -83,-0.0 -0.967 85.2 -67.7-161.0 163.7 5.5 30.1 33.8 88 89 A Y - 0 0 66 -2,-0.3 3,-0.0 1,-0.1 -81,-0.0 -0.349 32.0-169.5 -56.3 138.7 4.4 33.5 35.1 89 90 A T S S+ 0 0 101 -2,-0.0 2,-0.4 -3,-0.0 -1,-0.1 0.532 71.0 64.5-100.9 -16.4 2.1 35.3 32.8 90 91 A F - 0 0 48 1,-0.1 -55,-0.0 2,-0.0 -53,-0.0 -0.859 69.2-148.3-109.2 144.6 2.3 38.5 34.8 91 92 A T S S- 0 0 134 -2,-0.4 2,-0.2 -55,-0.1 -1,-0.1 0.787 77.7 -31.6 -73.9 -32.6 5.4 40.6 35.3 92 93 A S S S- 0 0 52 -56,-0.2 -56,-2.5 -59,-0.0 2,-0.4 -0.597 87.8 -58.6-155.3-144.9 4.4 41.8 38.7 93 94 A F E -e 36 0A 6 -58,-0.3 2,-0.3 -2,-0.2 -56,-0.3 -0.997 53.4-173.9-126.5 127.0 1.2 42.6 40.6 94 95 A D E -e 37 0A 83 -58,-2.0 -56,-1.5 -2,-0.4 2,-0.6 -0.884 23.8-132.5-124.1 141.9 -1.0 45.4 39.1 95 96 A I E -e 38 0A 37 -2,-0.3 2,-0.3 -58,-0.2 -56,-0.2 -0.893 30.7-151.2 -94.2 122.4 -4.2 47.1 40.2 96 97 A K 0 0 80 -58,-2.9 -56,-0.5 -2,-0.6 -59,-0.0 -0.671 360.0 360.0 -95.0 156.1 -6.7 47.2 37.4 97 98 A H 0 0 200 -2,-0.3 -1,-0.0 -58,-0.1 -58,-0.0 -0.491 360.0 360.0-133.1 360.0 -9.5 49.7 36.7