==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-APR-13 4KES . COMPND 2 MOLECULE: ARYLDIALKYLPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR G.GOTTHARD,J.HIBLOT,E.CHABRIERE,M.ELIAS . 1256 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45802.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 899 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 132 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 4 0.3 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 . 71 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 153 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 411 32.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 46 3.7 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 7 0 10 2 5 4 0 8 0 8 0 0 0 8 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 12 12 8 8 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 4 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 ANTIPARALLEL BRIDGES PER LADDER . 4 4 0 0 1 3 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 M 0 0 148 0, 0.0 11,-0.2 0, 0.0 10,-0.1 0.000 360.0 360.0 360.0-100.4 -44.7 -12.2 30.0 2 2 A R + 0 0 86 9,-0.8 10,-0.2 1,-0.3 8,-0.0 0.494 360.0 51.1-144.4 -49.3 -41.4 -10.3 29.8 3 3 A I E S-A 11 0A 2 8,-3.3 8,-2.6 6,-0.0 -1,-0.3 -0.899 74.1-137.5-108.1 118.0 -38.5 -12.5 28.8 4 4 A P E - 0 0 23 0, 0.0 2,-0.4 0, 0.0 88,-0.2 -0.401 18.4-158.6 -71.3 142.7 -38.8 -14.8 25.8 5 5 A L E > -A 8 0A 4 3,-0.7 3,-1.3 86,-0.1 2,-0.4 -0.933 25.5-104.3-121.6 146.2 -37.4 -18.3 26.1 6 6 A V T 3 S- 0 0 1 84,-3.0 84,-0.4 -2,-0.4 3,-0.1 -0.556 104.5 -6.2 -66.7 122.9 -36.4 -20.8 23.4 7 7 A G T 3 S+ 0 0 37 -2,-0.4 2,-0.3 1,-0.2 -1,-0.3 0.658 123.6 83.4 68.2 18.4 -39.1 -23.4 23.0 8 8 A K E < S-A 5 0A 78 -3,-1.3 -3,-0.7 82,-0.1 -1,-0.2 -0.955 87.3 -88.0-143.7 162.2 -41.1 -22.1 26.0 9 9 A D E - 0 0 145 -2,-0.3 -6,-0.0 1,-0.1 -3,-0.0 -0.443 59.7 -94.7 -64.4 146.3 -43.6 -19.5 26.9 10 10 A S E - 0 0 41 -2,-0.1 2,-0.3 -6,-0.1 -1,-0.1 -0.270 43.6-146.2 -62.9 151.1 -42.0 -16.2 27.9 11 11 A I E -A 3 0A 28 -8,-2.6 -8,-3.3 -10,-0.1 -9,-0.8 -0.850 16.4-106.3-119.8 155.3 -41.4 -15.7 31.7 12 12 A E > - 0 0 86 -2,-0.3 3,-3.1 -10,-0.2 4,-0.2 -0.551 37.9-113.5 -73.9 146.5 -41.5 -12.7 34.0 13 13 A S G > S+ 0 0 13 1,-0.3 3,-1.3 -2,-0.2 4,-0.3 0.746 115.6 68.0 -55.5 -23.1 -38.0 -11.6 35.1 14 14 A K G 3 S+ 0 0 115 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.659 97.2 53.6 -71.6 -15.6 -38.9 -12.7 38.6 15 15 A D G < S+ 0 0 60 -3,-3.1 -1,-0.3 1,-0.2 -2,-0.2 0.383 78.5 96.5 -97.5 2.4 -39.0 -16.3 37.4 16 16 A I < + 0 0 2 -3,-1.3 -1,-0.2 -4,-0.2 -2,-0.1 0.885 61.3 175.6 -64.5 -37.1 -35.5 -16.3 35.9 17 17 A G + 0 0 20 -4,-0.3 2,-0.3 -3,-0.2 -1,-0.1 -0.204 51.3 4.1 67.4-158.6 -33.9 -17.9 39.0 18 18 A F S S- 0 0 13 42,-0.3 44,-2.6 1,-0.0 45,-2.3 -0.438 83.4-167.6 -65.4 121.2 -30.3 -18.9 39.1 19 19 A T E -b 63 0B 2 286,-2.4 2,-0.7 -2,-0.3 45,-0.2 -0.890 32.9-153.6-123.1 137.9 -28.8 -17.7 35.9 20 20 A L E -b 64 0B 0 43,-2.5 45,-3.0 -2,-0.4 3,-0.3 -0.947 21.5-164.8-100.3 109.0 -25.6 -18.2 33.9 21 21 A I S S+ 0 0 2 -2,-0.7 2,-0.2 232,-0.6 233,-0.1 0.572 70.7 33.1 -77.9 -11.3 -25.6 -14.9 31.9 22 22 A H S S+ 0 0 0 231,-0.2 234,-2.3 44,-0.1 233,-0.5 -0.690 73.2 126.0-152.0 91.6 -23.0 -15.9 29.2 23 23 A E - 0 0 1 42,-2.0 2,-0.5 -3,-0.3 45,-0.2 -0.985 41.5-138.8-142.0 151.9 -22.6 -19.4 27.9 24 24 A H B -d 258 0C 4 233,-3.3 235,-2.0 -2,-0.3 236,-0.3 -0.951 7.9-164.7-117.3 124.5 -22.6 -20.9 24.4 25 25 A L S S- 0 0 3 -2,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.888 84.1 -13.1 -65.5 -39.7 -24.4 -24.2 23.5 26 26 A R - 0 0 8 233,-0.2 2,-0.4 232,-0.1 -1,-0.3 -0.929 61.9-163.5-163.9 137.5 -22.4 -24.2 20.2 27 27 A V B +e 261 0D 10 233,-2.2 235,-0.9 -2,-0.3 2,-0.3 -0.990 21.7 148.5-126.0 136.2 -20.3 -21.8 18.2 28 28 A F - 0 0 5 44,-1.7 2,-0.7 -2,-0.4 43,-0.1 -0.978 50.8 -98.8-155.5 160.0 -19.2 -22.0 14.6 29 29 A S > - 0 0 7 -2,-0.3 4,-2.4 1,-0.2 5,-0.3 -0.755 32.3-145.7 -78.9 115.9 -18.4 -19.8 11.6 30 30 A E H > S+ 0 0 4 -2,-0.7 4,-2.4 1,-0.2 5,-0.2 0.880 95.1 48.0 -50.1 -48.6 -21.6 -19.8 9.4 31 31 A A H > S+ 0 0 13 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.895 112.1 49.4 -66.9 -36.6 -19.8 -19.6 6.1 32 32 A V H > S+ 0 0 0 -3,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.931 113.1 45.5 -67.5 -45.6 -17.4 -22.5 7.0 33 33 A R H < S+ 0 0 37 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.880 113.4 50.7 -65.1 -38.4 -20.1 -24.8 8.1 34 34 A Q H < S+ 0 0 46 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.888 118.9 36.8 -66.0 -37.8 -22.2 -24.0 5.1 35 35 A Q H < S+ 0 0 0 -4,-2.1 722,-0.6 1,-0.2 -2,-0.2 0.793 129.6 27.6 -87.2 -30.2 -19.4 -24.7 2.7 36 36 A W >< + 0 0 1 -4,-2.8 3,-1.9 -5,-0.2 -1,-0.2 -0.554 60.3 162.6-135.2 68.3 -17.7 -27.6 4.4 37 37 A P G > + 0 0 55 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.698 67.9 78.3 -60.2 -19.9 -20.2 -29.5 6.5 38 38 A H G 3 S+ 0 0 91 1,-0.3 -5,-0.1 -3,-0.1 -2,-0.0 0.689 84.0 64.8 -64.4 -15.1 -17.8 -32.5 6.6 39 39 A L G < S+ 0 0 56 -3,-1.9 2,-0.3 -7,-0.2 -1,-0.3 0.590 97.0 68.0 -81.3 -11.0 -15.9 -30.7 9.3 40 40 A Y < - 0 0 32 -3,-1.9 2,-0.5 -4,-0.1 222,-0.0 -0.808 59.1-157.9-119.2 152.2 -18.8 -30.8 11.8 41 41 A N > - 0 0 76 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.902 4.5-173.0-128.3 101.4 -20.6 -33.5 13.7 42 42 A E H > S+ 0 0 74 -2,-0.5 4,-2.3 1,-0.2 5,-0.2 0.839 84.7 56.4 -64.5 -33.9 -24.1 -32.5 14.8 43 43 A D H > S+ 0 0 107 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.921 110.5 43.6 -63.6 -46.3 -24.6 -35.6 17.0 44 44 A E H > S+ 0 0 93 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.912 112.5 52.1 -65.5 -44.7 -21.5 -34.9 19.0 45 45 A E H X S+ 0 0 9 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.919 111.5 48.2 -57.6 -44.3 -22.3 -31.2 19.4 46 46 A F H X S+ 0 0 49 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.941 111.7 48.3 -63.1 -48.8 -25.8 -32.1 20.6 47 47 A R H X S+ 0 0 127 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.936 112.9 48.6 -56.3 -49.3 -24.5 -34.6 23.1 48 48 A N H X S+ 0 0 58 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.926 112.8 47.1 -57.2 -48.3 -21.9 -32.2 24.5 49 49 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 5,-0.2 0.941 114.6 46.3 -61.1 -48.0 -24.5 -29.3 24.8 50 50 A V H X S+ 0 0 13 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.939 112.9 49.3 -61.6 -47.6 -27.0 -31.6 26.5 51 51 A N H X S+ 0 0 96 -4,-3.0 4,-1.9 -5,-0.2 -1,-0.2 0.916 113.2 46.9 -58.3 -45.1 -24.5 -33.1 28.9 52 52 A E H X S+ 0 0 21 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.936 113.5 47.7 -62.7 -46.8 -23.1 -29.7 29.9 53 53 A V H X S+ 0 0 1 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.896 109.5 53.6 -63.4 -39.8 -26.6 -28.2 30.4 54 54 A K H X S+ 0 0 101 -4,-2.7 4,-1.6 -5,-0.2 -1,-0.2 0.904 109.7 47.3 -61.3 -41.1 -27.7 -31.2 32.5 55 55 A R H X S+ 0 0 50 -4,-1.9 4,-0.7 2,-0.2 -1,-0.2 0.900 110.0 53.1 -69.3 -38.8 -24.7 -30.8 34.8 56 56 A A H ><>S+ 0 0 0 -4,-2.2 5,-2.0 1,-0.2 3,-1.0 0.918 109.7 48.8 -59.0 -43.1 -25.4 -27.1 35.1 57 57 A M H ><5S+ 0 0 59 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.811 101.8 62.8 -68.1 -29.3 -29.0 -27.8 36.1 58 58 A Q H 3<5S+ 0 0 108 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.696 102.0 52.0 -68.8 -18.0 -27.8 -30.4 38.7 59 59 A F T <<5S- 0 0 15 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.392 132.2 -94.3 -93.5 0.6 -26.1 -27.5 40.5 60 60 A G T < 5 + 0 0 27 -3,-1.4 2,-0.4 1,-0.3 -42,-0.3 0.604 68.8 157.1 97.1 13.5 -29.3 -25.5 40.4 61 61 A V < + 0 0 5 -5,-2.0 -1,-0.3 1,-0.2 -42,-0.2 -0.601 11.2 174.3 -68.8 124.5 -28.9 -23.4 37.3 62 62 A K + 0 0 92 -44,-2.6 27,-1.9 -2,-0.4 2,-0.4 0.788 61.8 30.2 -99.7 -37.2 -32.4 -22.5 36.1 63 63 A T E -bc 19 89B 0 -45,-2.3 -43,-2.5 25,-0.2 2,-0.4 -0.980 57.1-167.1-134.0 135.0 -31.6 -20.1 33.2 64 64 A I E -bc 20 90B 0 25,-2.8 27,-2.5 -2,-0.4 2,-0.6 -0.979 11.4-152.1-117.8 131.7 -28.8 -19.9 30.7 65 65 A V E - c 0 91B 0 -45,-3.0 -42,-2.0 -2,-0.4 27,-0.2 -0.927 12.0-164.2-102.5 124.1 -28.4 -16.8 28.5 66 66 A D E - c 0 92B 1 25,-2.5 27,-0.7 -2,-0.6 2,-0.6 -0.886 10.6-169.7-117.7 101.0 -26.7 -17.7 25.2 67 67 A P + 0 0 0 0, 0.0 2,-0.6 0, 0.0 -43,-0.1 -0.100 36.6 139.7 -86.0 37.8 -25.3 -14.8 23.3 68 68 A T + 0 0 3 -2,-0.6 25,-0.5 -45,-0.2 2,-0.2 -0.740 27.3 148.8 -77.3 118.4 -24.5 -16.8 20.2 69 69 A V > > - 0 0 0 -2,-0.6 3,-3.0 1,-0.1 5,-0.7 -0.681 51.7 -28.5-136.3-169.2 -25.5 -14.5 17.3 70 70 A M B 3 5S+f 96 0E 5 25,-1.0 27,-2.7 1,-0.3 -1,-0.1 -0.231 131.0 27.5 -49.1 124.9 -24.6 -13.7 13.7 71 71 A G T 3 5S+ 0 0 13 25,-0.2 -1,-0.3 -43,-0.1 663,-0.2 0.183 115.7 64.0 103.6 -15.3 -20.9 -14.6 13.3 72 72 A L T < 5S- 0 0 11 -3,-3.0 -44,-1.7 -43,-0.1 -2,-0.2 0.291 116.0-102.6-118.3 2.9 -21.0 -17.2 16.0 73 73 A G T 5 - 0 0 1 -4,-0.5 -3,-0.2 -46,-0.2 -44,-0.1 0.826 41.1-163.3 84.2 33.9 -23.4 -19.6 14.3 74 74 A R < + 0 0 0 -5,-0.7 2,-0.3 -7,-0.1 -1,-0.2 -0.241 10.8 179.4 -47.8 128.2 -26.7 -18.9 16.1 75 75 A D > - 0 0 41 -49,-0.1 4,-2.2 1,-0.1 3,-0.3 -0.825 13.7-171.6-138.9 97.9 -29.0 -21.8 15.3 76 76 A I H > S+ 0 0 0 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 0.829 86.3 55.4 -60.7 -35.1 -32.4 -21.5 17.0 77 77 A R H > S+ 0 0 130 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.900 108.0 48.1 -67.6 -40.7 -33.5 -25.0 16.0 78 78 A F H > S+ 0 0 5 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.931 112.2 50.0 -60.4 -45.7 -30.4 -26.6 17.6 79 79 A M H X S+ 0 0 5 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.917 109.0 52.3 -60.0 -43.6 -31.1 -24.6 20.8 80 80 A E H X S+ 0 0 45 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.898 106.5 53.1 -59.4 -41.9 -34.7 -25.7 20.7 81 81 A K H X S+ 0 0 89 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.913 109.9 48.8 -58.8 -43.4 -33.5 -29.4 20.5 82 82 A V H X S+ 0 0 0 -4,-2.1 4,-1.0 2,-0.2 6,-0.3 0.907 110.4 49.9 -64.5 -43.0 -31.3 -28.8 23.6 83 83 A V H >X S+ 0 0 7 -4,-2.5 4,-3.2 1,-0.2 3,-0.8 0.934 109.7 51.7 -60.5 -46.4 -34.1 -27.2 25.5 84 84 A K H 3< S+ 0 0 164 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.831 112.4 46.7 -58.7 -34.3 -36.4 -30.1 24.7 85 85 A A H 3< S+ 0 0 41 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.627 128.0 22.1 -84.5 -12.5 -33.8 -32.6 25.9 86 86 A T H << S- 0 0 23 -4,-1.0 -2,-0.2 -3,-0.8 -3,-0.2 0.673 86.3-129.4-126.0 -31.3 -33.0 -30.8 29.2 87 87 A G < + 0 0 38 -4,-3.2 -4,-0.1 -5,-0.3 -3,-0.1 0.579 53.1 154.7 82.0 10.8 -35.9 -28.5 30.3 88 88 A I - 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0 0 14 -2,-0.7 41,-0.1 41,-0.1 4,-0.1 -0.977 38.3-163.5-140.8 154.9 -17.7 -8.8 14.3 99 99 A Y S S+ 0 0 49 -2,-0.3 47,-0.4 2,-0.2 42,-0.3 0.682 87.0 0.8-105.6 -29.1 -14.2 -7.3 15.1 100 100 A I S S+ 0 0 41 1,-0.4 49,-0.6 48,-0.1 48,-0.5 0.665 119.0 10.0-124.1 -74.0 -13.5 -5.3 11.9 101 101 A D - 0 0 84 47,-0.1 -1,-0.4 46,-0.1 -2,-0.2 -0.857 63.1-117.4-121.1 153.4 -16.1 -5.2 9.1 102 102 A L - 0 0 14 -2,-0.3 47,-0.0 1,-0.2 46,-0.0 -0.454 50.2 -82.5 -75.6 156.1 -19.7 -6.2 8.5 103 103 A P > - 0 0 28 0, 0.0 3,-2.2 0, 0.0 4,-0.2 -0.162 47.0-101.9 -52.5 155.4 -20.5 -8.8 5.8 104 104 A F G > S+ 0 0 52 1,-0.3 3,-1.8 597,-0.2 790,-0.5 0.737 115.8 78.0 -57.6 -23.7 -20.8 -7.4 2.3 105 105 A Y G 3 S+ 0 0 16 1,-0.3 789,-1.1 788,-0.2 -1,-0.3 0.830 89.7 55.8 -50.9 -34.5 -24.6 -7.5 2.6 106 106 A F G X S+ 0 0 4 -3,-2.2 3,-2.0 787,-0.2 -1,-0.3 0.460 72.5 127.1 -87.5 -1.6 -24.4 -4.3 4.7 107 107 A L T < S+ 0 0 76 -3,-1.8 787,-0.5 1,-0.3 788,-0.3 -0.366 88.1 3.6 -55.1 127.0 -22.5 -2.2 2.1 108 108 A N T 3 S+ 0 0 101 1,-0.2 2,-0.4 786,-0.2 -1,-0.3 0.824 103.5 129.6 62.6 31.8 -24.5 0.9 1.6 109 109 A R < - 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