==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-OCT-12 4HI2 . COMPND 2 MOLECULE: ACYLPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE O395; . AUTHOR S.NATH,R.BANERJEE,U.SEN . 1058 12 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44590.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 776 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 271 25.6 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 . 12 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 . 126 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 236 22.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 2.2 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 3 7 5 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 12 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 2 0 23 11 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 12 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 4 A Q 0 0 158 0, 0.0 46,-1.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 34.9 -5.5 17.0 -5.2 2 5 A a E -A 46 0A 12 76,-0.3 76,-0.3 44,-0.2 2,-0.3 -0.928 360.0-168.3-119.9 102.3 -7.3 16.9 -8.5 3 6 A S E -A 45 0A 20 42,-1.1 42,-2.1 -2,-0.5 2,-0.3 -0.640 9.4-147.5 -87.7 146.9 -11.1 16.9 -8.0 4 7 A K E -AB 44 74A 28 70,-1.2 70,-2.0 -2,-0.3 2,-0.3 -0.837 14.0-169.4-109.8 157.1 -13.7 16.2 -10.8 5 8 A F E -AB 43 73A 1 38,-1.0 38,-2.8 -2,-0.3 2,-1.0 -0.879 14.8-156.4-154.0 106.5 -17.1 17.9 -10.8 6 9 A I E -AB 42 72A 13 66,-1.1 66,-1.6 -2,-0.3 36,-0.2 -0.762 20.2-170.6 -90.1 103.2 -20.1 17.1 -13.0 7 10 A V E -AB 41 71A 0 34,-2.9 34,-1.3 -2,-1.0 2,-0.3 -0.620 5.9-173.5 -89.4 150.2 -22.2 20.3 -13.2 8 11 A S E + 0 0 7 62,-1.1 61,-2.4 -2,-0.2 2,-0.3 -0.920 33.0 63.0-144.0 167.2 -25.8 20.3 -14.7 9 12 A G E S- B 0 68A 14 -2,-0.3 2,-1.5 59,-0.2 3,-0.2 -0.877 106.9 -19.6 117.6-156.6 -28.6 22.5 -15.7 10 13 A H E S+ B 0 67A 94 57,-1.5 57,-2.1 -2,-0.3 -2,-0.1 -0.729 91.9 131.1 -85.8 87.3 -28.6 25.2 -18.4 11 14 A V + 0 0 1 -2,-1.5 2,-0.4 28,-0.4 6,-0.4 0.352 38.1 82.0-128.7 0.8 -24.9 25.4 -18.3 12 15 A Q S S+ 0 0 3 -3,-0.2 960,-0.1 1,-0.2 29,-0.0 -0.925 96.8 16.0-107.9 138.9 -23.6 25.2 -21.9 13 16 A G S S+ 0 0 38 -2,-0.4 -1,-0.2 960,-0.0 959,-0.1 0.678 100.6 96.5 81.4 20.6 -23.6 28.3 -24.1 14 17 A V S S- 0 0 8 -3,-0.3 51,-0.2 105,-0.0 52,-0.2 0.220 103.4 -99.9-129.2 13.7 -24.0 30.6 -21.2 15 18 A G S > S+ 0 0 12 103,-0.2 4,-3.1 102,-0.2 5,-0.2 0.433 86.1 125.6 84.8 -0.2 -20.4 31.6 -20.5 16 19 A F H > S+ 0 0 3 2,-0.2 4,-4.5 1,-0.2 5,-0.3 0.953 70.6 49.1 -53.6 -58.8 -20.0 29.1 -17.7 17 20 A C H > S+ 0 0 9 -6,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.893 115.2 44.6 -52.5 -49.7 -16.9 27.3 -19.0 18 21 A Y H > S+ 0 0 49 97,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.954 118.6 44.7 -54.0 -52.7 -15.2 30.6 -19.7 19 22 A H H >X S+ 0 0 16 -4,-3.1 4,-2.2 96,-0.3 3,-0.5 0.909 112.0 49.3 -64.3 -48.9 -16.3 31.9 -16.3 20 23 A T H 3X S+ 0 0 0 -4,-4.5 4,-2.7 1,-0.2 5,-0.3 0.929 110.1 53.1 -52.9 -46.6 -15.5 28.7 -14.3 21 24 A S H 3X S+ 0 0 10 -4,-2.2 4,-1.0 -5,-0.3 -1,-0.2 0.772 110.1 48.3 -64.3 -24.7 -12.0 28.7 -15.9 22 25 A H H S+ 0 0 0 -4,-2.7 5,-2.9 1,-0.2 -1,-0.2 0.813 110.6 50.9 -51.0 -36.0 -10.3 28.6 -11.0 25 28 A L H ><5S+ 0 0 42 -4,-1.0 3,-1.0 -5,-0.3 173,-0.3 0.835 108.3 52.9 -74.5 -31.2 -7.4 30.7 -12.4 26 29 A K H 3<5S+ 0 0 46 -4,-1.8 218,-0.3 -3,-0.2 -2,-0.2 0.830 106.2 54.1 -66.6 -32.9 -8.2 33.3 -9.7 27 30 A L T 3<5S- 0 0 3 -4,-1.8 -1,-0.2 -5,-0.1 167,-0.2 0.282 121.1-107.9 -84.2 9.6 -8.0 30.5 -7.1 28 31 A G T < 5S+ 0 0 20 -3,-1.0 -3,-0.2 165,-0.3 2,-0.2 0.689 77.2 136.1 71.5 19.6 -4.5 29.5 -8.3 29 32 A L < - 0 0 4 -5,-2.9 2,-0.3 -6,-0.2 -1,-0.2 -0.491 41.1-156.5 -96.8 164.7 -5.9 26.3 -9.8 30 33 A T E +C 46 0A 16 16,-1.5 16,-2.3 -2,-0.2 2,-0.3 -0.933 42.7 87.3-133.1 158.5 -5.3 24.6 -13.1 31 34 A G E -Cd 45 85A 1 53,-2.4 55,-1.7 -2,-0.3 2,-0.3 -0.991 60.3 -83.9 151.8-150.3 -7.6 22.2 -14.9 32 35 A Y E -Cd 44 86A 33 12,-3.1 12,-4.3 -2,-0.3 2,-0.5 -0.998 4.9-146.1-154.1 157.1 -10.5 22.2 -17.4 33 36 A A E -Cd 43 87A 0 53,-1.4 55,-1.7 -2,-0.3 2,-0.3 -0.991 30.6-173.7-121.3 117.9 -14.2 22.6 -17.9 34 37 A K E -C 42 0A 66 8,-2.7 8,-2.1 -2,-0.5 2,-0.5 -0.855 23.0-122.0-115.1 147.4 -15.3 20.4 -20.8 35 38 A N E -C 41 0A 6 -2,-0.3 2,-0.3 6,-0.2 6,-0.2 -0.806 27.0-152.7 -92.9 130.4 -18.8 20.3 -22.4 36 39 A L > - 0 0 37 4,-2.6 3,-1.2 -2,-0.5 933,-0.0 -0.695 22.6-117.4-101.2 151.5 -20.4 16.9 -22.4 37 40 A N T 3 S+ 0 0 47 -2,-0.3 932,-2.1 1,-0.2 933,-0.3 0.787 108.6 61.0 -54.6 -37.2 -23.0 15.5 -24.8 38 41 A N T 3 S- 0 0 92 930,-0.1 -1,-0.2 931,-0.1 3,-0.1 0.745 125.1 -94.1 -67.5 -23.7 -25.8 15.1 -22.2 39 42 A G S < S+ 0 0 13 -3,-1.2 -28,-0.4 1,-0.4 2,-0.2 0.085 88.2 123.0 130.4 -16.7 -25.8 18.8 -21.5 40 43 A D - 0 0 25 -32,-0.1 -4,-2.6 -5,-0.1 2,-0.5 -0.431 54.8-138.5 -79.7 141.6 -23.5 18.6 -18.5 41 44 A V E -AC 7 35A 0 -34,-1.3 -34,-2.9 -6,-0.2 2,-0.7 -0.850 11.0-156.9 -92.8 133.3 -20.1 20.4 -17.9 42 45 A E E -AC 6 34A 29 -8,-2.1 -8,-2.7 -2,-0.5 2,-0.6 -0.959 13.5-166.4-105.7 111.2 -17.4 18.2 -16.3 43 46 A V E -AC 5 33A 0 -38,-2.8 -38,-1.0 -2,-0.7 2,-0.6 -0.884 4.1-166.1-100.2 123.8 -15.0 20.6 -14.6 44 47 A V E +AC 4 32A 0 -12,-4.3 -12,-3.1 -2,-0.6 2,-0.3 -0.944 12.7 175.5-113.0 121.7 -11.7 19.2 -13.6 45 48 A A E -AC 3 31A 0 -42,-2.1 -42,-1.1 -2,-0.6 2,-0.4 -0.870 13.5-163.5-121.1 153.7 -9.6 21.3 -11.2 46 49 A a E +AC 2 30A 13 -16,-2.3 -16,-1.5 -2,-0.3 2,-0.3 -0.945 38.6 89.5-142.9 122.1 -6.3 20.7 -9.4 47 50 A G S S- 0 0 9 -46,-1.7 -18,-0.1 -2,-0.4 -19,-0.1 -0.924 77.8 -27.5-175.2-162.8 -4.9 22.6 -6.4 48 51 A T >> - 0 0 54 -2,-0.3 3,-2.3 1,-0.1 4,-1.7 -0.572 65.9-109.0 -74.0 131.3 -4.9 22.6 -2.6 49 52 A P T 34 S+ 0 0 74 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.591 118.1 48.7 -24.5 -39.3 -8.0 21.0 -1.0 50 53 A E T 3> S+ 0 0 112 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.859 110.0 50.1 -81.4 -36.9 -9.3 24.4 0.3 51 54 A R H <> S+ 0 0 46 -3,-2.3 4,-1.3 1,-0.3 -1,-0.2 0.859 110.3 51.0 -66.4 -37.1 -8.9 26.1 -3.1 52 55 A L H X S+ 0 0 11 -4,-1.7 4,-1.7 1,-0.2 -1,-0.3 0.679 109.9 54.3 -69.1 -17.9 -10.7 23.1 -4.5 53 56 A E H > S+ 0 0 101 -5,-0.4 4,-2.8 -4,-0.2 -2,-0.2 0.900 102.9 50.1 -82.9 -42.6 -13.3 23.9 -1.9 54 57 A E H X S+ 0 0 71 -4,-2.3 4,-3.6 2,-0.2 -2,-0.2 0.873 113.5 50.7 -62.8 -31.6 -13.9 27.6 -2.7 55 58 A L H X S+ 0 0 0 -4,-1.3 4,-3.5 2,-0.2 5,-0.3 0.959 107.4 49.6 -71.1 -52.7 -14.4 26.3 -6.3 56 59 A Y H X S+ 0 0 49 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.926 115.3 47.8 -48.7 -45.8 -16.9 23.7 -5.3 57 60 A L H >X>S+ 0 0 85 -4,-2.8 4,-1.7 2,-0.2 3,-1.7 0.993 112.1 46.2 -58.8 -62.4 -18.6 26.4 -3.4 58 61 A W H 3X5S+ 0 0 26 -4,-3.6 4,-2.3 1,-0.3 -2,-0.2 0.872 106.2 60.3 -48.7 -48.5 -18.5 28.9 -6.2 59 62 A L H 3<5S+ 0 0 0 -4,-3.5 -1,-0.3 2,-0.2 -2,-0.2 0.825 117.5 32.9 -43.3 -41.3 -19.8 26.3 -8.7 60 63 A Q H <<5S+ 0 0 76 -3,-1.7 -2,-0.2 -4,-1.3 8,-0.2 0.946 138.4 11.3 -80.2 -75.7 -22.9 26.0 -6.5 61 64 A E H <5S+ 0 0 142 -4,-1.7 -3,-0.2 -5,-0.1 -2,-0.2 0.516 92.4 119.6 -92.1 -7.6 -23.7 29.4 -5.0 62 65 A G S < S+ 0 0 10 101,-0.1 4,-2.5 1,-0.1 3,-0.2 0.449 87.5 125.4 56.6 4.0 -9.1 49.0 -19.7 106 19 B F H > + 0 0 3 -5,-0.3 4,-2.9 1,-0.2 5,-0.3 0.914 66.8 48.8 -62.0 -50.5 -12.6 49.2 -21.3 107 20 B C H > S+ 0 0 8 -6,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.804 115.5 48.0 -62.7 -30.5 -12.2 47.0 -24.4 108 21 B Y H > S+ 0 0 51 96,-0.3 4,-2.8 -3,-0.2 -1,-0.2 0.932 112.0 47.4 -69.9 -50.4 -10.7 44.3 -22.2 109 22 B H H X S+ 0 0 15 -4,-2.5 4,-4.2 95,-0.3 -2,-0.2 0.939 113.8 48.4 -58.8 -49.4 -13.4 44.5 -19.5 110 23 B T H X S+ 0 0 0 -4,-2.9 4,-3.3 2,-0.3 5,-0.2 0.897 110.9 48.6 -55.9 -50.4 -16.1 44.4 -22.1 111 24 B S H X S+ 0 0 13 -4,-1.6 4,-2.6 -5,-0.3 -1,-0.2 0.979 117.0 45.4 -54.9 -50.1 -14.7 41.5 -24.0 112 25 B H H X S+ 0 0 3 -4,-2.8 4,-1.6 1,-0.2 -2,-0.3 0.876 111.9 49.3 -61.0 -48.2 -14.4 39.8 -20.5 113 26 B Q H X S+ 0 0 31 -4,-4.2 4,-1.1 2,-0.2 3,-0.2 0.940 112.9 48.9 -58.2 -46.7 -17.8 40.8 -19.4 114 27 B G H ><>S+ 0 0 0 -4,-3.3 5,-1.8 1,-0.2 3,-1.7 0.960 106.8 54.0 -55.8 -56.4 -19.3 39.5 -22.6 115 28 B L H ><5S+ 0 0 38 -4,-2.6 3,-0.9 1,-0.3 -96,-0.3 0.807 106.4 54.5 -47.8 -35.2 -17.4 36.1 -22.5 116 29 B K H 3<5S+ 0 0 47 -4,-1.6 -51,-0.4 -3,-0.2 -1,-0.3 0.781 106.7 51.4 -72.3 -26.9 -18.9 35.7 -19.0 117 30 B L T <<5S- 0 0 4 -3,-1.7 -1,-0.2 -4,-1.1 -2,-0.2 0.359 120.8-108.5 -90.9 6.3 -22.4 36.2 -20.5 118 31 B G T < 5S+ 0 0 18 -3,-0.9 -103,-0.2 -4,-0.4 -3,-0.2 0.542 75.6 136.9 82.5 6.7 -21.8 33.6 -23.2 119 32 B L < - 0 0 2 -5,-1.8 2,-0.3 -6,-0.2 -1,-0.3 -0.393 39.7-157.1 -80.8 159.2 -21.5 36.2 -25.9 120 33 B T E +G 136 0B 20 16,-1.5 16,-3.1 -2,-0.1 2,-0.3 -0.942 40.3 92.0-128.0 155.0 -19.0 36.6 -28.8 121 34 B G E -Gh 135 175B 2 53,-1.5 55,-2.3 -2,-0.3 2,-0.3 -0.970 59.9 -81.1 165.9-147.7 -18.1 39.7 -30.7 122 35 B Y E -Gh 134 176B 33 12,-2.3 12,-2.7 -2,-0.3 2,-0.5 -0.987 9.6-144.3-151.7 150.8 -15.5 42.5 -30.7 123 36 B A E -Gh 133 177B 0 53,-2.2 55,-1.7 -2,-0.3 2,-0.5 -0.974 31.0-166.7-108.1 114.0 -14.7 45.9 -29.0 124 37 B K E -G 132 0B 67 8,-3.9 8,-2.8 -2,-0.5 2,-0.6 -0.892 19.1-131.9-113.2 128.0 -13.1 48.2 -31.6 125 38 B N E -G 131 0B 7 -2,-0.5 6,-0.2 6,-0.2 2,-0.2 -0.631 28.3-157.2 -75.8 117.9 -11.3 51.4 -31.0 126 39 B L - 0 0 37 4,-1.8 3,-0.5 -2,-0.6 -1,-0.0 -0.484 22.8-118.7 -94.8 164.5 -12.6 54.1 -33.3 127 40 B N S S+ 0 0 43 1,-0.2 663,-2.0 -2,-0.2 -1,-0.1 0.822 106.0 62.5 -74.7 -32.2 -10.8 57.3 -34.4 128 41 B N S S- 0 0 95 661,-0.2 -1,-0.2 1,-0.1 3,-0.1 0.750 123.1 -94.5 -66.1 -23.9 -13.3 59.7 -33.0 129 42 B G S S+ 0 0 13 -3,-0.5 -28,-0.4 1,-0.3 -27,-0.2 0.183 90.0 116.1 125.0 -11.0 -12.7 58.6 -29.4 130 43 B D - 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