==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-JUL-12 4G2D . COMPND 2 MOLECULE: ARYLDIALKYLPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS ISLANDICUS; . AUTHOR G.GOTTHARD,J.HIBLOT,M.ELIAS,E.CHABRIERE . 314 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13355.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 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 . 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 . 19 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.9 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 2 0 3 0 1 1 1 1 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 3 2 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 . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 0 154 0, 0.0 11,-0.2 0, 0.0 10,-0.1 0.000 360.0 360.0 360.0 -60.2 -28.3 5.5 16.5 2 2 A R + 0 0 96 9,-1.0 10,-0.2 1,-0.2 11,-0.1 0.878 360.0 56.3 -96.9 -50.0 -25.3 8.0 16.4 3 3 A I B S-A 11 0A 1 8,-0.9 8,-1.4 9,-0.4 -1,-0.2 -0.785 74.0-149.2 -94.6 114.3 -22.2 5.9 17.1 4 4 A P - 0 0 23 0, 0.0 2,-0.2 0, 0.0 5,-0.1 -0.313 17.4-172.2 -72.2 160.5 -21.7 2.9 14.7 5 5 A L - 0 0 9 3,-0.4 2,-0.5 86,-0.1 127,-0.4 -0.692 25.1 -92.3-138.9-168.0 -19.9 -0.3 15.9 6 6 A V S S- 0 0 0 -2,-0.2 84,-0.3 82,-0.2 3,-0.1 -0.968 96.5 -12.3-121.9 125.5 -18.5 -3.6 14.6 7 7 A G S S+ 0 0 26 -2,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.841 124.9 68.9 57.1 35.7 -20.5 -6.8 14.4 8 8 A K S S- 0 0 86 -3,-0.1 -3,-0.4 81,-0.0 -1,-0.2 -0.976 92.2 -70.1-168.9 169.1 -23.2 -5.2 16.5 9 9 A E - 0 0 161 -2,-0.3 2,-0.3 1,-0.1 -3,-0.1 -0.356 55.8 -98.9 -72.6 152.1 -26.0 -2.6 16.6 10 10 A P - 0 0 59 0, 0.0 -1,-0.1 0, 0.0 -8,-0.1 -0.559 36.7-142.8 -76.1 127.5 -25.1 1.2 16.6 11 11 A I B -A 3 0A 26 -8,-1.4 -9,-1.0 -2,-0.3 -8,-0.9 -0.013 9.9-126.1 -75.3-174.0 -25.2 2.8 20.1 12 12 A E - 0 0 65 -11,-0.2 -9,-0.4 -10,-0.2 -1,-0.1 0.860 43.8 -98.7 -99.3 -70.4 -26.4 6.4 20.8 13 13 A A S > S+ 0 0 4 -11,-0.1 3,-0.7 -10,-0.1 4,-0.2 0.069 111.4 61.2 174.2 -38.1 -23.7 8.3 22.7 14 14 A E T 3 S+ 0 0 126 1,-0.2 3,-0.4 2,-0.1 296,-0.1 0.636 99.2 60.5 -83.2 -16.5 -24.5 8.2 26.4 15 15 A D T 3 S+ 0 0 95 1,-0.2 -1,-0.2 295,-0.1 -4,-0.0 0.018 75.5 101.9 -96.4 26.1 -24.3 4.4 26.4 16 16 A M < + 0 0 2 -3,-0.7 -1,-0.2 1,-0.1 -2,-0.1 0.854 60.5 179.6 -78.6 -37.5 -20.6 4.6 25.3 17 17 A G - 0 0 23 -3,-0.4 2,-0.4 -4,-0.2 -1,-0.1 -0.185 48.1 -3.4 71.7-161.9 -19.2 4.0 28.7 18 18 A F S S- 0 0 18 42,-0.3 44,-2.4 291,-0.0 45,-2.4 -0.530 80.6-169.1 -68.3 119.6 -15.6 3.8 29.7 19 19 A T E -b 63 0B 3 286,-2.6 2,-0.9 -2,-0.4 45,-0.2 -0.913 32.8-148.7-124.1 138.7 -13.7 4.2 26.4 20 20 A L E -b 64 0B 0 43,-2.5 45,-3.0 -2,-0.4 3,-0.2 -0.865 21.6-165.3 -96.7 98.7 -10.1 3.8 25.2 21 21 A I S S+ 0 0 3 -2,-0.9 2,-0.4 232,-0.6 -1,-0.1 0.698 71.0 35.6 -62.9 -23.6 -10.1 6.5 22.5 22 22 A H S S+ 0 0 0 231,-0.2 234,-2.1 44,-0.1 233,-0.9 -0.850 73.0 127.6-141.8 102.8 -6.9 5.3 20.7 23 23 A E - 0 0 1 42,-1.9 2,-0.5 -2,-0.4 45,-0.2 -0.980 37.9-141.8-149.6 158.0 -5.8 1.7 20.3 24 24 A H B -d 258 0C 2 233,-2.6 235,-1.6 -2,-0.3 236,-0.2 -0.964 7.1-164.8-130.8 117.8 -4.8 -0.6 17.6 25 25 A L S S- 0 0 4 -2,-0.5 234,-0.4 1,-0.3 235,-0.4 0.978 82.7 -28.2 -58.2 -57.9 -5.7 -4.3 17.3 26 26 A R - 0 0 8 233,-0.2 2,-0.3 232,-0.1 -1,-0.3 -0.942 60.4-156.1-158.2 144.4 -2.9 -4.7 14.7 27 27 A V + 0 0 6 233,-1.8 235,-0.4 -2,-0.3 2,-0.3 -0.910 20.5 156.1-118.9 149.6 -1.2 -2.5 12.1 28 28 A F - 0 0 21 44,-2.5 2,-0.7 -2,-0.3 43,-0.1 -0.977 46.4 -96.3-162.3 160.4 0.6 -3.5 8.9 29 29 A S > - 0 0 41 -2,-0.3 4,-1.9 1,-0.2 5,-0.4 -0.755 28.6-147.3 -86.5 114.5 1.6 -2.1 5.5 30 30 A E H > S+ 0 0 65 -2,-0.7 4,-2.2 1,-0.2 5,-0.2 0.882 92.1 53.2 -45.7 -50.3 -0.9 -3.2 3.0 31 31 A A H > S+ 0 0 69 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.964 112.9 37.3 -52.7 -69.8 1.7 -3.4 0.2 32 32 A V H >> S+ 0 0 35 1,-0.2 4,-4.0 2,-0.2 3,-0.7 0.926 117.1 49.9 -52.6 -56.1 4.3 -5.7 1.7 33 33 A R H 3< S+ 0 0 29 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.894 113.1 48.2 -52.0 -42.6 1.9 -8.0 3.5 34 34 A Y H 3< S+ 0 0 180 -4,-2.2 -1,-0.3 -5,-0.4 -2,-0.2 0.786 118.9 40.0 -68.8 -27.5 -0.1 -8.4 0.3 35 35 A Q H << S+ 0 0 107 -4,-1.7 -2,-0.2 -3,-0.7 -1,-0.2 0.761 132.6 22.1 -90.7 -29.2 3.1 -9.1 -1.6 36 36 A W >< + 0 0 142 -4,-4.0 3,-0.8 -5,-0.2 -1,-0.2 -0.691 59.3 162.5-143.1 85.7 4.7 -11.2 1.1 37 37 A P G > + 0 0 86 0, 0.0 3,-1.0 0, 0.0 -4,-0.1 0.366 62.2 88.9 -84.4 4.5 2.3 -12.8 3.6 38 38 A H G 3 S+ 0 0 141 1,-0.2 -5,-0.1 3,-0.1 -2,-0.0 0.471 82.1 60.0 -79.7 -1.5 5.0 -15.3 4.6 39 39 A L G < S+ 0 0 116 -3,-0.8 2,-0.2 -6,-0.1 -1,-0.2 0.507 99.0 70.5 -98.2 -8.3 6.1 -12.8 7.2 40 40 A Y < - 0 0 40 -3,-1.0 2,-0.3 -7,-0.1 3,-0.1 -0.710 59.8-154.2-116.6 160.5 2.8 -12.7 9.0 41 41 A N > - 0 0 55 -2,-0.2 4,-2.3 1,-0.1 5,-0.3 -0.776 3.1-165.1-137.4 91.2 0.7 -15.0 11.2 42 42 A E H > S+ 0 0 81 -2,-0.3 4,-1.7 1,-0.2 -1,-0.1 0.830 94.5 51.0 -37.8 -41.2 -3.1 -14.4 11.2 43 43 A D H > S+ 0 0 113 2,-0.2 4,-2.7 1,-0.2 3,-0.5 0.977 107.3 46.7 -67.2 -60.5 -3.1 -16.6 14.4 44 44 A E H > S+ 0 0 102 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.829 116.3 49.5 -50.3 -34.4 -0.4 -14.8 16.5 45 45 A E H X S+ 0 0 9 -4,-2.3 4,-1.4 2,-0.2 -1,-0.3 0.826 110.1 48.8 -77.9 -33.7 -2.1 -11.6 15.6 46 46 A L H X S+ 0 0 48 -4,-1.7 4,-3.2 -3,-0.5 -2,-0.2 0.904 113.2 46.7 -71.9 -42.9 -5.6 -12.8 16.5 47 47 A R H X S+ 0 0 122 -4,-2.7 4,-4.2 2,-0.2 5,-0.4 0.990 111.0 48.8 -63.9 -62.4 -4.6 -14.1 19.9 48 48 A N H X S+ 0 0 52 -4,-1.6 4,-3.0 1,-0.2 5,-0.2 0.905 116.2 46.5 -40.9 -51.5 -2.5 -11.1 21.0 49 49 A A H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.969 116.4 43.4 -55.8 -57.1 -5.5 -9.0 20.0 50 50 A V H X S+ 0 0 14 -4,-3.2 4,-2.3 1,-0.2 5,-0.2 0.939 117.0 46.3 -55.0 -52.8 -8.0 -11.3 21.7 51 51 A N H X S+ 0 0 77 -4,-4.2 4,-1.0 1,-0.2 -1,-0.2 0.896 113.5 49.0 -57.7 -43.9 -5.8 -11.6 24.8 52 52 A E H X S+ 0 0 20 -4,-3.0 4,-0.6 -5,-0.4 -1,-0.2 0.862 112.7 48.0 -66.5 -37.4 -5.1 -7.9 25.0 53 53 A V H >X S+ 0 0 0 -4,-2.4 3,-1.9 -5,-0.2 4,-1.8 0.962 105.3 54.4 -70.0 -54.1 -8.8 -6.9 24.7 54 54 A K H 3X S+ 0 0 97 -4,-2.3 4,-0.6 1,-0.3 -1,-0.2 0.777 107.6 53.9 -52.0 -29.0 -10.3 -9.3 27.2 55 55 A R H 3X S+ 0 0 71 -4,-1.0 4,-1.1 -5,-0.2 -1,-0.3 0.700 105.3 52.5 -81.9 -20.5 -7.9 -7.9 29.8 56 56 A A H <<>S+ 0 0 1 -3,-1.9 5,-2.4 -4,-0.6 -2,-0.2 0.808 103.9 56.2 -81.2 -32.9 -9.0 -4.3 29.1 57 57 A M H ><5S+ 0 0 68 -4,-1.8 3,-0.5 3,-0.2 -2,-0.2 0.746 102.1 60.9 -68.4 -23.7 -12.7 -5.2 29.6 58 58 A Q H 3<5S+ 0 0 142 -4,-0.6 -2,-0.2 -5,-0.3 -1,-0.2 0.989 98.1 51.8 -64.6 -61.6 -11.6 -6.5 33.0 59 59 A F T 3<5S- 0 0 94 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.468 134.4 -91.3 -58.7 1.9 -10.4 -3.1 34.3 60 60 A G T < 5S+ 0 0 43 -3,-0.5 2,-0.5 1,-0.3 -42,-0.3 0.529 71.3 158.7 101.8 8.5 -13.8 -1.8 33.2 61 61 A V < + 0 0 3 -5,-2.4 -1,-0.3 1,-0.2 -42,-0.2 -0.524 10.6 175.3 -67.4 118.5 -13.0 -0.8 29.6 62 62 A K + 0 0 72 -44,-2.4 27,-1.4 -2,-0.5 2,-0.4 0.911 60.9 24.4 -92.3 -51.9 -16.4 -0.7 27.8 63 63 A T E -bc 19 89B 1 -45,-2.4 -43,-2.5 25,-0.1 2,-0.5 -0.956 61.4-158.9-123.4 136.3 -15.6 0.7 24.3 64 64 A I E -bc 20 90B 1 25,-3.1 27,-1.4 -2,-0.4 2,-0.6 -0.956 9.0-150.7-114.2 125.2 -12.3 0.7 22.4 65 65 A V E - 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0 0 0 -5,-0.4 2,-1.0 -6,-0.1 -82,-0.2 -0.792 46.1-114.9-106.3 146.5 -16.1 -5.5 22.8 89 89 A N E -c 63 0B 24 -27,-1.4 -25,-3.1 -2,-0.3 2,-0.6 -0.697 42.6-178.9 -78.3 102.6 -17.5 -2.2 21.7 90 90 A L E -c 64 0B 1 -2,-1.0 2,-0.9 -84,-0.3 -84,-0.2 -0.902 17.3-157.0-115.3 110.3 -15.2 -1.4 18.8 91 91 A V E -c 65 0B 0 -27,-1.4 -25,-1.1 -2,-0.6 -86,-0.1 -0.745 14.5-157.6 -87.9 106.0 -15.7 1.9 16.9 92 92 A A - 0 0 0 -2,-0.9 42,-3.9 40,-0.4 43,-0.3 -0.400 12.8-170.3 -77.0 158.7 -14.2 1.6 13.4 93 93 A G - 0 0 0 -27,-0.4 2,-0.2 -25,-0.3 43,-0.2 -0.734 11.6-138.2-137.6-174.8 -13.2 4.6 11.4 94 94 A T E + f 0 136D 2 41,-2.2 43,-3.5 -2,-0.2 2,-0.3 -0.733 43.7 86.7-137.0-172.4 -12.0 5.9 8.0 95 95 A G E - f 0 137D 3 41,-0.3 -25,-0.8 -2,-0.2 2,-0.4 -0.758 69.3 -70.5 114.7-162.9 -9.6 8.3 6.4 96 96 A I E -ef 70 138D 3 41,-1.4 2,-0.7 -2,-0.3 43,-0.6 -0.995 26.4-145.6-141.8 133.4 -5.9 8.0 5.4 97 97 A Y + 0 0 22 -27,-2.3 2,-0.3 -2,-0.4 41,-0.1 -0.858 41.8 138.2-101.3 109.7 -2.7 7.7 7.4 98 98 A I - 0 0 16 -2,-0.7 4,-0.1 41,-0.2 -2,-0.0 -0.899 41.1-165.5-145.1 172.2 0.2 9.4 5.8 99 99 A Y S S+ 0 0 60 2,-0.3 42,-0.3 -2,-0.3 47,-0.2 0.572 87.8 0.9-127.7 -36.7 3.3 11.6 6.3 100 100 A V S S- 0 0 67 1,-0.4 49,-0.5 48,-0.1 48,-0.3 0.667 115.7 -0.4-120.7 -76.5 4.3 12.8 2.9 101 101 A D - 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