==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-SEP-11 3TNV . COMPND 2 MOLECULE: ACYLPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR T.H.YU,C.H.CHAN . 90 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5072.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 62 68.9 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 . 27 30.0 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 . 5 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 21.1 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 2 0 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 0 1 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 2 A A 0 0 85 0, 0.0 50,-2.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 159.6 10.2 -20.4 2.6 2 3 A I E +A 50 0A 100 48,-0.2 2,-0.3 49,-0.1 48,-0.2 -0.536 360.0 171.5 -73.5 132.0 9.9 -16.6 2.2 3 4 A V E -A 49 0A 29 46,-2.7 46,-2.1 -2,-0.3 2,-0.4 -0.854 21.7-140.9-133.5 170.7 6.3 -15.4 2.4 4 5 A R E -AB 48 78A 18 74,-1.4 74,-3.0 -2,-0.3 2,-0.4 -0.990 13.2-172.6-134.1 140.5 4.5 -12.1 2.6 5 6 A V E -AB 47 77A 0 42,-2.4 42,-2.3 -2,-0.4 2,-0.5 -0.993 15.5-151.3-130.2 147.7 1.4 -11.0 4.5 6 7 A H E -AB 46 76A 33 70,-2.6 70,-2.4 -2,-0.4 2,-0.3 -0.972 28.5-171.4-107.2 127.4 -0.6 -7.8 4.5 7 8 A Y E -AB 45 75A 1 38,-2.7 38,-2.2 -2,-0.5 2,-0.4 -0.882 19.6-163.0-123.7 153.1 -2.2 -7.2 7.8 8 9 A K E -AB 44 74A 53 66,-2.1 66,-3.1 -2,-0.3 2,-0.4 -0.996 11.3-159.3-129.2 138.4 -4.8 -4.9 9.4 9 10 A I E -AB 43 73A 0 34,-3.0 34,-2.1 -2,-0.4 2,-0.3 -0.972 6.0-167.3-121.6 131.9 -5.1 -4.4 13.1 10 11 A Y E + B 0 72A 86 62,-2.3 61,-2.5 -2,-0.4 62,-1.0 -0.787 44.1 49.6-112.7 159.6 -8.2 -3.0 14.9 11 12 A G E S- B 0 70A 37 -2,-0.3 2,-1.6 59,-0.3 3,-0.2 -0.870 110.0 -12.6 121.8-153.1 -8.7 -1.8 18.5 12 13 A R E S+ B 0 69A 121 57,-2.3 57,-2.2 -2,-0.3 30,-0.1 -0.703 88.9 132.2 -82.8 86.4 -6.8 0.7 20.6 13 14 A V + 0 0 1 -2,-1.6 2,-0.3 28,-0.4 3,-0.2 0.352 44.8 69.2-129.0 0.0 -4.0 0.7 18.2 14 15 A Q S S+ 0 0 69 -3,-0.2 29,-0.0 1,-0.2 28,-0.0 -0.942 99.7 22.6-119.7 148.7 -3.1 4.3 17.5 15 16 A G S S+ 0 0 82 -2,-0.3 -1,-0.2 -3,-0.0 -3,-0.0 0.733 101.6 93.7 71.4 23.1 -1.5 6.6 20.1 16 17 A V S S- 0 0 13 -3,-0.2 51,-0.3 50,-0.0 52,-0.2 0.218 106.7 -96.4-132.0 14.0 -0.1 3.5 21.9 17 18 A G S > S+ 0 0 42 50,-0.1 4,-2.2 47,-0.0 5,-0.2 0.672 78.8 139.5 75.5 19.3 3.4 3.0 20.5 18 19 A F H > + 0 0 4 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.904 66.5 45.6 -63.0 -45.3 2.1 0.5 18.0 19 20 A R H > S+ 0 0 61 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.950 116.6 44.0 -67.5 -46.0 4.1 1.5 15.0 20 21 A W H > S+ 0 0 169 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.888 115.8 47.7 -67.1 -36.8 7.4 1.9 16.8 21 22 A S H X S+ 0 0 16 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.859 110.0 53.5 -71.4 -33.4 6.9 -1.4 18.7 22 23 A T H X S+ 0 0 0 -4,-2.2 4,-2.9 -5,-0.2 5,-0.2 0.929 110.1 46.9 -65.7 -45.1 5.9 -3.2 15.5 23 24 A Q H X S+ 0 0 18 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.906 112.9 50.4 -60.9 -42.0 9.1 -2.1 13.8 24 25 A R H X S+ 0 0 124 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.961 115.7 40.5 -61.3 -52.0 11.1 -3.1 16.9 25 26 A E H X S+ 0 0 22 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.908 113.1 54.7 -64.2 -43.8 9.6 -6.6 17.0 26 27 A G H <>S+ 0 0 0 -4,-2.9 5,-2.8 -5,-0.2 4,-0.4 0.928 111.0 45.8 -56.1 -46.7 9.7 -7.0 13.2 27 28 A R H ><5S+ 0 0 150 -4,-2.4 3,-1.5 -5,-0.2 -1,-0.2 0.933 110.0 53.4 -63.4 -45.6 13.4 -6.3 13.2 28 29 A K H 3<5S+ 0 0 157 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.884 110.7 48.0 -52.9 -40.6 14.1 -8.6 16.2 29 30 A L T 3<5S- 0 0 32 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.464 118.8-113.0 -85.2 -2.8 12.3 -11.4 14.3 30 31 A G T < 5 + 0 0 39 -3,-1.5 20,-0.3 -4,-0.4 2,-0.3 0.789 65.7 144.8 80.4 30.5 14.3 -10.7 11.2 31 32 A L < - 0 0 5 -5,-2.8 2,-0.2 -6,-0.2 -1,-0.2 -0.692 38.5-147.7-103.2 153.7 11.5 -9.4 9.0 32 33 A N E +C 48 0A 57 16,-2.8 16,-2.4 -2,-0.3 2,-0.3 -0.680 49.4 79.9-103.4 166.8 11.2 -6.8 6.3 33 34 A G E -Cd 47 86A 0 52,-2.9 54,-2.4 -2,-0.2 2,-0.3 -0.965 61.3 -94.3 139.5-150.9 8.1 -4.7 5.6 34 35 A W E -Cd 46 87A 30 12,-1.6 12,-2.0 -2,-0.3 2,-0.3 -0.972 13.9-148.9-161.3 168.4 6.3 -1.7 6.9 35 36 A V E +Cd 45 88A 0 52,-1.5 54,-2.6 -2,-0.3 2,-0.3 -0.992 18.9 170.1-147.5 143.3 3.6 -0.4 9.2 36 37 A R E -C 44 0A 99 8,-2.6 8,-2.6 -2,-0.3 2,-0.3 -0.995 32.6-110.7-153.2 155.5 1.3 2.7 9.1 37 38 A N E -C 43 0A 55 52,-0.4 6,-0.2 -2,-0.3 -23,-0.0 -0.651 31.2-146.4 -81.0 143.9 -1.7 4.4 10.6 38 39 A L > - 0 0 30 4,-2.8 3,-2.2 -2,-0.3 4,-0.0 -0.838 22.6-116.4-111.4 153.6 -4.9 4.6 8.6 39 40 A P T 3 S+ 0 0 137 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.725 111.6 64.8 -59.5 -23.6 -7.5 7.4 8.7 40 41 A D T 3 S- 0 0 105 1,-0.1 3,-0.1 2,-0.1 -3,-0.0 0.480 121.9-101.9 -80.7 -0.1 -10.1 5.0 10.1 41 42 A G S < S+ 0 0 34 -3,-2.2 -28,-0.4 1,-0.4 2,-0.1 0.357 87.2 113.1 98.4 -5.6 -8.1 4.5 13.3 42 43 A S - 0 0 1 -32,-0.1 -4,-2.8 -30,-0.1 2,-0.4 -0.363 62.3-123.7 -91.4 174.9 -6.7 1.1 12.4 43 44 A V E -AC 9 37A 0 -34,-2.1 -34,-3.0 -6,-0.2 2,-0.3 -0.935 25.2-172.7-119.0 144.0 -3.1 0.1 11.6 44 45 A E E +AC 8 36A 23 -8,-2.6 -8,-2.6 -2,-0.4 2,-0.3 -0.936 14.1 142.5-132.3 155.8 -2.0 -1.6 8.4 45 46 A G E -AC 7 35A 0 -38,-2.2 -38,-2.7 -2,-0.3 2,-0.4 -0.995 36.6-112.5-174.3 179.7 1.2 -3.2 7.3 46 47 A V E -AC 6 34A 0 -12,-2.0 -12,-1.6 -2,-0.3 2,-0.4 -0.973 16.2-164.9-128.1 141.4 3.3 -5.8 5.4 47 48 A L E +AC 5 33A 0 -42,-2.3 -42,-2.4 -2,-0.4 2,-0.4 -0.990 11.5 176.9-119.9 138.8 5.6 -8.5 6.7 48 49 A E E +AC 4 32A 8 -16,-2.4 -16,-2.8 -2,-0.4 2,-0.3 -0.971 32.3 71.9-144.9 128.9 8.0 -10.3 4.4 49 50 A G E S-A 3 0A 8 -46,-2.1 -46,-2.7 -2,-0.4 -18,-0.1 -0.972 83.3 -8.1 161.5-168.1 10.5 -13.0 5.3 50 51 A D E >> -A 2 0A 63 -20,-0.3 4,-2.3 -2,-0.3 3,-0.8 -0.256 64.8-123.9 -54.5 136.3 10.9 -16.6 6.4 51 52 A E H 3> S+ 0 0 62 -50,-2.2 4,-2.5 1,-0.3 5,-0.2 0.819 109.8 57.3 -57.6 -32.1 7.4 -18.0 7.1 52 53 A E H 3> S+ 0 0 114 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.891 108.7 46.5 -63.8 -39.3 8.4 -19.1 10.7 53 54 A R H <> S+ 0 0 106 -3,-0.8 4,-2.2 2,-0.2 -2,-0.2 0.897 111.5 51.2 -67.5 -43.8 9.4 -15.5 11.4 54 55 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.922 108.8 52.0 -59.2 -42.6 6.1 -14.2 9.9 55 56 A E H X S+ 0 0 96 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.914 109.3 49.1 -63.2 -41.9 4.2 -16.7 12.0 56 57 A A H X S+ 0 0 53 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.894 111.4 50.5 -60.9 -40.9 5.9 -15.5 15.2 57 58 A M H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.882 106.1 53.7 -68.2 -38.4 5.1 -11.9 14.2 58 59 A I H X S+ 0 0 24 -4,-2.6 4,-0.9 2,-0.2 -1,-0.2 0.904 107.6 53.0 -61.2 -38.9 1.5 -12.6 13.6 59 60 A G H >< S+ 0 0 37 -4,-1.8 3,-0.8 1,-0.2 4,-0.3 0.934 110.8 46.2 -57.2 -47.6 1.4 -14.1 17.2 60 61 A W H >X S+ 0 0 40 -4,-2.0 4,-2.9 1,-0.2 3,-2.2 0.876 102.7 63.8 -63.2 -39.9 2.9 -10.8 18.5 61 62 A L H 3< S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.725 89.5 68.5 -62.6 -21.8 0.5 -8.6 16.5 62 63 A H T << S+ 0 0 85 -4,-0.9 -1,-0.3 -3,-0.8 8,-0.2 0.675 117.5 22.6 -69.6 -17.5 -2.5 -10.1 18.5 63 64 A Q T <4 S- 0 0 118 -3,-2.2 7,-0.4 -4,-0.3 -2,-0.2 0.734 85.2-179.0-109.6 -48.9 -1.1 -8.3 21.6 64 65 A G < - 0 0 8 -4,-2.9 -46,-0.1 5,-0.1 -2,-0.1 -0.318 57.3 -17.6 69.3-164.9 1.0 -5.4 20.4 65 66 A P S > S- 0 0 18 0, 0.0 3,-1.9 0, 0.0 -47,-0.1 -0.325 78.1-101.2 -68.4 157.4 2.7 -3.3 23.0 66 67 A P T 3 S+ 0 0 140 0, 0.0 -2,-0.0 0, 0.0 -50,-0.0 0.835 121.8 55.5 -46.2 -39.2 1.3 -3.5 26.6 67 68 A L T 3 S+ 0 0 107 -51,-0.3 -50,-0.1 2,-0.0 -3,-0.1 0.673 93.2 87.7 -73.2 -19.1 -0.6 -0.2 26.1 68 69 A A < - 0 0 10 -3,-1.9 2,-0.3 -52,-0.2 -55,-0.2 -0.307 62.3-152.6 -75.2 161.9 -2.5 -1.4 23.0 69 70 A R E -B 12 0A 160 -57,-2.2 -57,-2.3 -2,-0.0 2,-0.5 -0.804 14.3-163.8-134.5 96.5 -5.8 -3.2 22.9 70 71 A V E +B 11 0A 27 -7,-0.4 -59,-0.3 -2,-0.3 3,-0.1 -0.677 15.6 173.8 -85.9 122.3 -5.9 -5.4 19.8 71 72 A T E + 0 0 86 -61,-2.5 2,-0.3 -2,-0.5 -60,-0.2 0.690 67.5 5.7-100.1 -21.9 -9.4 -6.6 19.0 72 73 A R E -B 10 0A 123 -62,-1.0 -62,-2.3 2,-0.0 2,-0.5 -0.947 51.9-156.4-162.5 136.8 -8.8 -8.2 15.6 73 74 A V E -B 9 0A 5 -2,-0.3 2,-0.5 -64,-0.2 -64,-0.2 -0.984 15.6-162.1-115.6 117.7 -5.9 -9.1 13.3 74 75 A E E -B 8 0A 78 -66,-3.1 -66,-2.1 -2,-0.5 2,-0.4 -0.868 10.5-167.5 -98.0 130.3 -6.8 -9.5 9.6 75 76 A V E -B 7 0A 45 -2,-0.5 2,-0.4 -68,-0.2 -68,-0.2 -0.972 13.9-173.4-128.0 131.4 -4.2 -11.3 7.5 76 77 A K E -B 6 0A 128 -70,-2.4 -70,-2.6 -2,-0.4 2,-0.4 -0.988 21.3-138.7-121.2 126.9 -3.9 -11.7 3.7 77 78 A W E +B 5 0A 145 -2,-0.4 2,-0.3 -72,-0.2 -72,-0.2 -0.717 31.9 169.0 -92.0 133.2 -1.2 -14.0 2.4 78 79 A E E -B 4 0A 64 -74,-3.0 -74,-1.4 -2,-0.4 3,-0.1 -0.867 38.7 -88.8-139.4 165.0 0.7 -12.8 -0.7 79 80 A Q - 0 0 162 -2,-0.3 -76,-0.1 -76,-0.1 -74,-0.0 -0.595 53.0-103.0 -77.1 140.2 3.7 -13.5 -2.9 80 81 A P - 0 0 48 0, 0.0 -76,-0.1 0, 0.0 -1,-0.1 -0.297 32.5-173.6 -61.2 148.4 7.0 -11.9 -1.7 81 82 A K - 0 0 161 -3,-0.1 -2,-0.0 0, 0.0 -33,-0.0 0.464 52.9 -90.3-121.8 -9.8 8.0 -8.7 -3.6 82 83 A G - 0 0 49 1,-0.1 2,-0.1 -50,-0.0 -34,-0.0 0.829 49.8-170.3 97.9 40.1 11.5 -8.0 -2.2 83 84 A E - 0 0 33 -51,-0.1 2,-0.5 1,-0.1 -1,-0.1 -0.388 9.5-150.2 -57.9 139.4 10.8 -5.6 0.7 84 85 A K - 0 0 177 -51,-0.1 -1,-0.1 -52,-0.1 -52,-0.0 -0.962 55.1 -20.9-120.6 113.3 14.0 -4.1 2.1 85 86 A G S S- 0 0 35 -2,-0.5 -52,-2.9 1,-0.1 2,-0.5 -0.034 80.1 -83.3 80.6 172.4 14.2 -3.2 5.8 86 87 A F E -d 33 0A 2 -54,-0.3 2,-0.3 -63,-0.1 -52,-0.3 -0.966 54.3-175.2-119.6 113.0 11.3 -2.6 8.1 87 88 A R E -d 34 0A 96 -54,-2.4 -52,-1.5 -2,-0.5 2,-0.6 -0.792 30.6-134.1-117.0 148.2 10.0 0.9 7.9 88 89 A I E -d 35 0A 40 -2,-0.3 2,-0.4 -54,-0.2 -52,-0.2 -0.900 33.9-161.7 -90.5 121.1 7.5 3.2 9.6 89 90 A V 0 0 42 -54,-2.6 -52,-0.4 -2,-0.6 -55,-0.0 -0.878 360.0 360.0-112.5 143.1 5.6 4.9 6.8 90 91 A G 0 0 131 -2,-0.4 -2,-0.1 -54,-0.1 -55,-0.0 -0.469 360.0 360.0 87.2 360.0 3.5 8.1 7.2