==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-SEP-07 2VC5 . COMPND 2 MOLECULE: ARYLDIALKYLPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR M.ELIAS,J.DUPUY,L.MERONE,L.MANDRICH,S.MONIOT,C.LECOMTE, . 1256 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46615.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 865 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 126 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.0 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 . 2 0.2 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 . 80 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 128 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 397 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 42 3.3 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 8 0 8 3 5 5 0 7 1 6 0 0 0 7 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 11 14 8 6 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 . 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 4 0 0 2 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 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 0 117 0, 0.0 2,-1.4 0, 0.0 10,-0.1 0.000 360.0 360.0 360.0 126.7 43.8 -49.7 54.2 2 2 A R + 0 0 99 10,-0.1 10,-0.2 8,-0.1 312,-0.0 -0.462 360.0 49.9 63.6 -86.9 47.5 -50.4 54.6 3 3 A I B S-A 11 0A 1 -2,-1.4 8,-1.5 8,-1.3 2,-0.3 -0.746 70.2-150.7 -95.7 117.1 48.9 -46.9 55.5 4 4 A P - 0 0 26 0, 0.0 2,-0.3 0, 0.0 88,-0.2 -0.614 16.3-159.3 -78.9 142.4 47.4 -44.9 58.3 5 5 A L > - 0 0 9 -2,-0.3 2,-0.7 86,-0.1 3,-0.7 -0.803 27.1 -96.2-119.6 160.6 47.7 -41.1 58.1 6 6 A V T 3 S- 0 0 1 84,-2.0 84,-0.2 -2,-0.3 4,-0.1 -0.690 103.0 -22.7 -81.2 112.0 47.5 -38.2 60.5 7 7 A G T 3 S+ 0 0 52 -2,-0.7 -1,-0.3 1,-0.1 124,-0.0 0.768 117.9 102.2 59.4 31.3 44.0 -36.8 60.5 8 8 A K S < S- 0 0 68 -3,-0.7 2,-2.9 82,-0.1 -2,-0.1 -0.124 82.1-122.3-143.8 40.2 43.4 -38.2 57.0 9 9 A D - 0 0 171 -4,-0.1 2,-0.1 -5,-0.1 -2,-0.1 -0.215 60.1 -73.6 67.1 -63.6 41.4 -41.4 57.1 10 10 A S - 0 0 28 -2,-2.9 2,-0.3 -6,-0.1 -8,-0.1 -0.150 43.6-151.3 136.0 133.5 43.8 -43.9 55.4 11 11 A I B -A 3 0A 33 -8,-1.5 -8,-1.3 -2,-0.1 5,-0.1 -0.899 25.5 -97.9-127.6 156.2 45.1 -44.5 51.8 12 12 A E > - 0 0 60 -2,-0.3 3,-1.3 -10,-0.2 4,-0.2 -0.205 35.2-111.8 -63.1 157.7 46.4 -47.5 49.8 13 13 A S G > S+ 0 0 0 1,-0.2 3,-0.9 2,-0.2 4,-0.2 0.793 118.7 62.6 -57.7 -29.4 50.1 -48.2 49.3 14 14 A K G 3 S+ 0 0 115 1,-0.2 3,-0.4 2,-0.1 -1,-0.2 0.721 99.1 53.5 -68.7 -24.5 49.5 -47.3 45.7 15 15 A D G < S+ 0 0 80 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.361 74.6 99.7 -98.0 3.2 48.4 -43.7 46.5 16 16 A I < + 0 0 3 -3,-0.9 -1,-0.2 -4,-0.2 -2,-0.1 0.865 59.7 176.0 -59.4 -38.3 51.5 -42.6 48.6 17 17 A G + 0 0 21 -3,-0.4 2,-0.3 -4,-0.2 -1,-0.1 -0.301 51.3 4.4 69.2-152.4 52.9 -40.8 45.6 18 18 A F S S- 0 0 24 42,-0.3 45,-2.4 291,-0.0 44,-2.3 -0.531 83.7-167.3 -68.0 128.2 56.1 -38.7 45.9 19 19 A T E -b 63 0B 2 286,-1.9 2,-0.6 -2,-0.3 45,-0.2 -0.942 32.0-151.4-131.3 138.0 57.4 -39.3 49.4 20 20 A L E -b 64 0B 0 43,-2.4 45,-2.4 -2,-0.4 3,-0.3 -0.946 19.8-165.4-102.3 112.8 60.0 -37.9 51.9 21 21 A I S S+ 0 0 4 -2,-0.6 2,-0.2 232,-0.6 233,-0.1 0.651 71.5 30.4 -78.7 -18.4 60.9 -40.9 54.0 22 22 A H S S+ 0 0 0 231,-0.1 234,-2.3 44,-0.1 233,-0.6 -0.718 73.5 131.5-149.9 89.7 62.7 -39.2 56.9 23 23 A E - 0 0 2 42,-1.6 2,-0.5 -3,-0.3 45,-0.2 -0.997 38.4-142.6-140.8 143.0 61.7 -35.6 58.0 24 24 A H B -d 258 0C 6 233,-2.7 235,-1.3 -2,-0.3 236,-0.2 -0.917 7.4-164.5-111.2 128.0 60.9 -34.1 61.4 25 25 A L S S- 0 0 5 -2,-0.5 2,-0.3 1,-0.3 234,-0.2 0.927 82.0 -21.9 -69.7 -48.0 58.2 -31.5 62.0 26 26 A R - 0 0 9 233,-0.2 2,-0.4 232,-0.1 -1,-0.3 -0.867 62.2-162.3-162.5 133.1 59.7 -30.6 65.4 27 27 A V + 0 0 7 233,-3.0 235,-0.4 -2,-0.3 2,-0.3 -0.914 19.4 153.2-114.7 146.6 61.9 -32.5 67.9 28 28 A F - 0 0 5 44,-1.6 2,-0.7 -2,-0.4 43,-0.1 -0.968 50.0 -93.8-158.3 161.4 62.5 -31.7 71.6 29 29 A S > - 0 0 8 -2,-0.3 4,-1.9 1,-0.1 5,-0.3 -0.742 33.8-143.0 -81.5 116.0 63.5 -33.5 74.8 30 30 A E H > S+ 0 0 6 -2,-0.7 4,-1.8 1,-0.2 -1,-0.1 0.821 93.7 51.0 -46.6 -44.0 60.2 -34.5 76.5 31 31 A A H > S+ 0 0 16 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.941 110.5 43.8 -66.6 -53.4 61.4 -33.9 80.1 32 32 A V H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.809 114.1 51.7 -66.2 -30.2 62.9 -30.3 79.7 33 33 A R H < S+ 0 0 42 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.880 111.5 47.0 -71.3 -38.6 59.8 -29.2 77.7 34 34 A Q H < S+ 0 0 49 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.851 121.1 38.5 -67.3 -34.3 57.5 -30.5 80.4 35 35 A Q H < S+ 0 0 0 -4,-2.0 407,-0.6 1,-0.2 -2,-0.2 0.757 126.8 29.3 -91.6 -27.7 59.6 -28.9 83.1 36 36 A W >< + 0 0 1 -4,-2.4 3,-1.8 -5,-0.2 -1,-0.2 -0.569 57.9 165.9-136.2 74.4 60.5 -25.5 81.4 37 37 A P G > S+ 0 0 59 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.642 70.2 76.4 -63.3 -15.8 57.9 -24.4 78.9 38 38 A H G 3 S+ 0 0 84 1,-0.3 -5,-0.1 3,-0.1 -2,-0.0 0.661 83.5 65.4 -70.4 -17.5 59.5 -20.9 78.8 39 39 A L G < S+ 0 0 56 -3,-1.8 2,-0.3 -7,-0.2 -1,-0.3 0.528 98.0 73.3 -77.1 -6.5 62.3 -22.3 76.6 40 40 A Y < - 0 0 36 -3,-1.4 2,-0.5 -4,-0.1 222,-0.0 -0.824 60.1-156.6-124.3 149.7 59.8 -22.9 73.8 41 41 A N > - 0 0 78 -2,-0.3 4,-2.0 1,-0.1 5,-0.3 -0.847 8.9-174.8-124.7 90.9 57.7 -21.0 71.3 42 42 A E H > S+ 0 0 69 -2,-0.5 4,-1.2 1,-0.2 -1,-0.1 0.861 84.1 49.2 -51.6 -43.5 54.6 -23.0 70.2 43 43 A D H > S+ 0 0 104 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.900 110.5 47.6 -68.2 -44.8 53.6 -20.5 67.6 44 44 A E H > S+ 0 0 91 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.917 111.9 48.6 -64.8 -46.8 56.9 -20.1 65.8 45 45 A E H X S+ 0 0 8 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.763 111.1 51.9 -68.4 -26.0 57.7 -23.8 65.5 46 46 A F H X S+ 0 0 47 -4,-1.2 4,-2.1 -5,-0.3 -1,-0.2 0.886 110.7 48.3 -69.0 -42.2 54.2 -24.3 64.1 47 47 A R H X S+ 0 0 131 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.894 111.0 50.0 -65.9 -43.0 54.9 -21.6 61.6 48 48 A N H X S+ 0 0 50 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.888 110.3 51.2 -59.8 -42.5 58.2 -23.2 60.7 49 49 A A H X S+ 0 0 0 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.909 113.7 43.0 -62.3 -45.1 56.5 -26.6 60.2 50 50 A V H X S+ 0 0 10 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.920 111.8 52.8 -70.3 -45.9 53.8 -25.2 57.9 51 51 A N H X S+ 0 0 97 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.874 114.3 43.1 -55.7 -42.0 56.2 -23.0 55.8 52 52 A E H X S+ 0 0 22 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.2 0.888 114.3 48.9 -73.7 -42.5 58.5 -25.9 55.1 53 53 A V H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.938 112.0 48.7 -64.1 -48.1 55.7 -28.4 54.4 54 54 A K H X S+ 0 0 118 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.907 111.9 49.7 -56.1 -44.6 53.9 -26.0 52.0 55 55 A R H X S+ 0 0 78 -4,-1.6 4,-1.0 -5,-0.3 -1,-0.2 0.819 111.1 50.5 -64.5 -32.5 57.3 -25.4 50.2 56 56 A A H <>S+ 0 0 0 -4,-1.8 5,-2.1 2,-0.2 4,-0.3 0.890 110.6 47.4 -70.9 -42.0 57.8 -29.2 50.0 57 57 A M H ><5S+ 0 0 63 -4,-2.6 3,-0.8 3,-0.2 -2,-0.2 0.831 106.6 59.2 -68.1 -34.4 54.3 -29.8 48.5 58 58 A Q H 3<5S+ 0 0 160 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.863 104.1 50.9 -57.5 -39.5 55.0 -27.0 46.1 59 59 A F T 3<5S- 0 0 89 -4,-1.0 -1,-0.2 -5,-0.1 -2,-0.2 0.528 134.6 -88.5 -82.5 -7.6 58.0 -28.9 44.8 60 60 A G T < 5S+ 0 0 44 -3,-0.8 2,-0.3 -4,-0.3 -42,-0.3 0.446 72.6 149.7 121.0 4.3 55.8 -32.0 44.4 61 61 A V < + 0 0 4 -5,-2.1 -1,-0.3 1,-0.2 -42,-0.2 -0.529 14.6 174.5 -75.0 126.3 55.9 -33.9 47.7 62 62 A K + 0 0 103 -44,-2.3 27,-1.7 -2,-0.3 2,-0.4 0.835 65.1 27.3 -94.9 -43.6 52.7 -35.9 48.4 63 63 A T E -bc 19 89B 0 -45,-2.4 -43,-2.4 25,-0.2 2,-0.4 -0.963 56.6-168.2-129.6 139.8 53.6 -37.8 51.6 64 64 A I E -bc 20 90B 2 25,-3.0 27,-2.3 -2,-0.4 2,-0.5 -0.995 9.7-154.9-124.6 127.3 55.9 -37.2 54.5 65 65 A V E - c 0 91B 0 -45,-2.4 -42,-1.6 -2,-0.4 27,-0.2 -0.907 10.3-158.4-100.9 125.6 56.8 -39.9 57.1 66 66 A D E - c 0 92B 1 25,-2.5 27,-0.7 -2,-0.5 -42,-0.1 -0.898 9.7-168.5-111.9 106.1 57.9 -38.4 60.4 67 67 A P + 0 0 0 0, 0.0 2,-0.6 0, 0.0 -43,-0.1 0.018 38.0 138.2 -87.2 28.0 60.0 -40.7 62.6 68 68 A T + 0 0 3 -45,-0.2 25,-0.4 5,-0.1 2,-0.2 -0.665 28.7 153.1 -70.2 115.0 59.7 -38.5 65.7 69 69 A V > - 0 0 0 -2,-0.6 3,-2.8 1,-0.2 5,-0.4 -0.637 50.7 -33.1-131.8-171.7 59.1 -41.0 68.5 70 70 A M B 3 S+e 96 0D 2 25,-1.2 27,-3.0 1,-0.3 -1,-0.2 -0.253 130.5 30.9 -51.5 128.2 59.7 -41.3 72.3 71 71 A G T 3 S+ 0 0 18 25,-0.2 -1,-0.3 -43,-0.1 25,-0.1 0.126 115.6 62.6 103.6 -17.5 62.9 -39.4 73.1 72 72 A L S < S- 0 0 4 -3,-2.8 -44,-1.6 -43,-0.1 -2,-0.2 0.308 115.1-102.5-119.7 2.6 62.4 -36.9 70.3 73 73 A G - 0 0 1 -4,-0.4 2,-0.2 -46,-0.2 -3,-0.1 0.894 39.7-162.5 80.1 43.8 59.1 -35.4 71.5 74 74 A R - 0 0 1 -5,-0.4 2,-0.4 -7,-0.1 -1,-0.2 -0.394 10.8-179.8 -57.2 122.7 56.4 -37.0 69.4 75 75 A D > - 0 0 43 -2,-0.2 4,-1.7 -49,-0.2 5,-0.1 -0.914 15.0-172.0-132.2 103.6 53.3 -34.8 69.6 76 76 A I H > S+ 0 0 0 -2,-0.4 4,-1.8 1,-0.2 5,-0.1 0.787 87.1 56.0 -67.0 -28.4 50.3 -36.2 67.6 77 77 A R H > S+ 0 0 125 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.891 106.7 48.2 -72.2 -41.3 48.3 -33.0 68.3 78 78 A F H > S+ 0 0 6 2,-0.2 4,-1.9 1,-0.2 3,-0.2 0.884 110.2 54.5 -62.1 -40.2 50.9 -30.7 66.9 79 79 A M H < S+ 0 0 7 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.887 110.5 43.5 -62.1 -42.8 51.1 -33.0 63.9 80 80 A E H X S+ 0 0 46 -4,-1.8 4,-0.8 1,-0.2 -1,-0.2 0.599 104.6 64.1 -81.1 -11.7 47.4 -32.7 63.2 81 81 A K H X S+ 0 0 90 -4,-1.0 4,-0.6 -3,-0.2 -2,-0.2 0.881 109.3 45.1 -73.0 -42.3 47.6 -29.0 63.8 82 82 A V H < S+ 0 0 1 -4,-1.9 2,-2.9 2,-0.2 -32,-0.0 -0.186 106.4 48.8 -71.9-173.9 49.8 -29.0 60.7 83 83 A V H >> S+ 0 0 8 1,-0.2 4,-3.3 -2,-0.1 3,-0.9 -0.386 108.9 58.4 70.6 -65.7 48.2 -31.2 58.0 84 84 A K H 3< S+ 0 0 178 -2,-2.9 -1,-0.2 -4,-0.8 -2,-0.2 0.865 109.7 44.6 -54.5 -37.8 45.0 -29.3 58.7 85 85 A A T 3< S+ 0 0 40 -4,-0.6 -1,-0.3 1,-0.1 -3,-0.1 0.570 132.5 19.0 -82.0 -11.9 47.0 -26.2 57.7 86 86 A T T <4 S- 0 0 27 -3,-0.9 -2,-0.2 2,-0.1 -1,-0.1 0.713 86.2-128.0-127.4 -46.9 48.6 -27.9 54.7 87 87 A G < + 0 0 33 -4,-3.3 2,-0.2 1,-0.3 -3,-0.1 0.628 53.5 154.0 92.8 19.0 46.8 -30.9 53.4 88 88 A I - 0 0 2 -5,-0.2 2,-0.5 1,-0.1 -1,-0.3 -0.555 50.3-118.7 -81.8 141.4 49.9 -33.1 53.5 89 89 A N E -c 63 0B 11 -27,-1.7 -25,-3.0 -2,-0.2 2,-0.5 -0.710 38.7-172.4 -71.6 123.8 49.9 -36.9 53.9 90 90 A L E -c 64 0B 0 -2,-0.5 -84,-2.0 -27,-0.2 2,-0.7 -0.971 15.9-158.4-130.5 117.5 51.8 -37.5 57.1 91 91 A V E -c 65 0B 0 -27,-2.3 -25,-2.5 -2,-0.5 2,-0.2 -0.856 13.5-162.2 -95.9 114.4 52.8 -41.0 58.4 92 92 A A E -c 66 0B 1 -2,-0.7 42,-3.1 40,-0.5 43,-0.4 -0.635 9.4-157.8 -89.9 153.8 53.4 -41.0 62.2 93 93 A G - 0 0 0 -27,-0.7 2,-0.2 -25,-0.4 43,-0.2 -0.687 9.0-134.7-124.6 177.5 55.4 -43.8 63.8 94 94 A T E +f 136 0E 0 41,-2.4 43,-3.8 -2,-0.2 2,-0.3 -0.764 47.0 81.2-123.7 173.3 55.9 -45.5 67.1 95 95 A G E -f 137 0E 0 41,-0.3 -25,-1.2 -2,-0.2 2,-0.4 -0.822 66.5 -69.5 130.0-167.4 59.1 -46.7 69.0 96 96 A I B -e 70 0D 0 41,-1.2 2,-0.7 -2,-0.3 43,-0.4 -0.998 24.3-152.6-136.7 130.0 61.9 -45.5 71.2 97 97 A Y + 0 0 10 -27,-3.0 2,-0.3 -2,-0.4 41,-0.1 -0.885 39.5 136.7-105.9 102.5 64.9 -43.3 70.4 98 98 A I - 0 0 16 -2,-0.7 41,-0.1 41,-0.1 4,-0.1 -0.982 38.5-166.7-141.3 153.0 67.8 -44.1 72.7 99 99 A Y S S- 0 0 34 -2,-0.3 42,-0.4 2,-0.2 47,-0.3 0.661 88.2 -4.5-105.7 -27.9 71.6 -44.5 72.3 100 100 A I S S+ 0 0 64 1,-0.4 48,-0.5 48,-0.1 49,-0.4 0.576 118.4 14.5-129.0 -76.3 72.4 -46.1 75.7 101 101 A D - 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