==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-OCT-09 3K35 . COMPND 2 MOLECULE: NAD-DEPENDENT DEACETYLASE SIRTUIN-6; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.W.PAN,A.DONG,W.QIU,P.LOPPNAU,J.WANG,M.RAVICHANDRAN,A.BOCHK . 1654 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 76651.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1016 61.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 164 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.4 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 . 1 0.1 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 . 81 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 155 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 360 21.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 37 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 6 3 4 4 1 0 0 8 5 5 0 0 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 1 12 6 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 PARALLEL BRIDGES PER LADDER . 2 6 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 6 0 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 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 13 A K 0 0 69 0, 0.0 56,-0.1 0, 0.0 196,-0.1 0.000 360.0 360.0 360.0 132.3 12.7 10.3 7.9 2 14 A G - 0 0 43 195,-0.1 2,-0.6 2,-0.1 196,-0.0 -0.207 360.0 -23.2 73.4-164.6 13.9 10.6 4.3 3 15 A K - 0 0 46 2,-0.0 2,-0.3 -2,-0.0 3,-0.2 -0.734 67.8-169.1 -91.9 119.2 13.8 8.2 1.5 4 16 A C + 0 0 26 -2,-0.6 48,-0.2 1,-0.2 47,-0.1 -0.824 51.9 12.2-115.1 144.0 13.5 4.5 2.6 5 17 A G + 0 0 32 46,-2.3 -1,-0.2 -2,-0.3 47,-0.1 0.613 68.1 167.2 77.1 16.7 13.7 1.1 0.9 6 18 A L - 0 0 69 45,-0.4 -1,-0.2 -3,-0.2 2,-0.0 -0.266 45.8 -93.1 -58.5 148.6 15.2 2.1 -2.5 7 19 A P - 0 0 103 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.345 42.0-120.9 -65.0 145.7 16.5 -0.9 -4.6 8 20 A E - 0 0 76 213,-0.1 2,-0.4 -3,-0.1 213,-0.2 -0.441 18.9-144.7 -84.6 161.4 20.2 -1.7 -4.2 9 21 A I - 0 0 50 211,-3.2 2,-0.4 -2,-0.1 210,-0.1 -0.970 7.7-163.9-128.4 139.8 22.8 -1.8 -6.9 10 22 A F - 0 0 97 -2,-0.4 225,-0.2 225,-0.1 210,-0.1 -0.941 15.5-141.3-128.7 110.4 25.7 -4.1 -7.4 11 23 A D - 0 0 23 223,-2.6 -2,-0.0 -2,-0.4 222,-0.0 -0.477 34.9-114.8 -55.3 130.7 28.6 -3.3 -9.8 12 24 A P >> - 0 0 26 0, 0.0 4,-3.0 0, 0.0 3,-0.6 -0.213 37.4 -88.7 -66.9 167.3 29.6 -6.6 -11.5 13 25 A P H 3> S+ 0 0 96 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.821 126.1 43.0 -49.8 -45.9 33.0 -8.0 -10.7 14 26 A E H 3> S+ 0 0 143 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.826 115.3 49.3 -74.2 -31.1 34.9 -6.3 -13.5 15 27 A E H <> S+ 0 0 67 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.937 113.3 47.9 -65.8 -48.0 33.2 -3.0 -12.9 16 28 A L H X S+ 0 0 4 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.943 110.6 49.7 -58.9 -53.0 33.9 -3.2 -9.2 17 29 A E H X S+ 0 0 50 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.890 111.9 49.0 -54.8 -44.2 37.6 -4.1 -9.6 18 30 A R H X S+ 0 0 145 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.909 113.0 47.4 -63.0 -45.1 38.1 -1.2 -12.1 19 31 A K H X S+ 0 0 32 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.838 111.1 50.8 -64.8 -37.1 36.4 1.2 -9.7 20 32 A V H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.865 109.3 50.9 -73.7 -33.0 38.4 -0.1 -6.7 21 33 A W H X S+ 0 0 118 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.918 110.0 50.6 -63.1 -43.7 41.7 0.4 -8.7 22 34 A E H X S+ 0 0 70 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.893 109.9 50.1 -60.9 -40.1 40.5 4.0 -9.4 23 35 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.921 108.0 52.7 -64.3 -42.4 39.8 4.5 -5.7 24 36 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.905 108.8 51.2 -56.0 -46.9 43.3 3.2 -4.9 25 37 A R H X S+ 0 0 121 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.899 109.1 49.7 -56.4 -46.4 44.7 5.7 -7.3 26 38 A L H X S+ 0 0 5 -4,-2.2 4,-0.6 2,-0.2 -2,-0.2 0.913 112.1 48.4 -63.0 -41.4 42.7 8.5 -5.7 27 39 A V H >< S+ 0 0 2 -4,-2.6 3,-1.1 1,-0.2 -2,-0.2 0.945 111.2 49.8 -62.2 -49.4 44.0 7.5 -2.2 28 40 A W H 3< S+ 0 0 46 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.900 115.0 44.1 -54.7 -44.2 47.6 7.3 -3.4 29 41 A Q H 3< S+ 0 0 136 -4,-2.2 2,-0.5 -5,-0.1 -1,-0.2 0.414 98.8 83.2 -85.7 -3.4 47.4 10.8 -5.1 30 42 A S << - 0 0 19 -3,-1.1 3,-0.1 -4,-0.6 158,-0.0 -0.916 55.5-163.8-110.2 124.6 45.6 12.6 -2.2 31 43 A S S S+ 0 0 106 -2,-0.5 2,-0.6 1,-0.2 -1,-0.1 0.910 84.9 43.0 -72.3 -40.5 47.5 14.0 0.8 32 44 A S - 0 0 15 153,-0.1 156,-1.7 61,-0.1 155,-1.3 -0.912 69.6-179.2-111.0 110.9 44.4 14.4 3.0 33 45 A V E -a 188 0A 2 -2,-0.6 61,-2.7 154,-0.2 62,-1.0 -0.948 4.4-172.0-111.6 120.3 41.9 11.5 2.9 34 46 A V E -ab 189 95A 0 154,-2.8 156,-2.5 -2,-0.5 2,-0.4 -0.964 7.6-153.9-115.7 128.8 38.7 11.9 5.0 35 47 A F E -ab 190 96A 0 60,-1.9 62,-3.0 -2,-0.5 2,-0.5 -0.791 3.5-162.5-100.8 142.1 36.2 9.1 5.5 36 48 A H E -ab 191 97A 4 154,-2.6 156,-2.8 -2,-0.4 2,-0.4 -0.981 15.6-165.2-123.8 114.9 32.6 9.6 6.3 37 49 A T E +ab 192 98A 1 60,-2.8 62,-2.3 -2,-0.5 63,-0.4 -0.814 10.7 176.7-112.1 143.7 30.8 6.6 7.7 38 50 A G > - 0 0 2 154,-2.0 3,-2.1 -2,-0.4 156,-0.2 -0.651 52.4 -71.8-124.6-171.1 27.1 5.6 8.2 39 51 A A G > S+ 0 0 18 1,-0.3 3,-1.8 -2,-0.2 4,-0.4 0.664 115.1 75.7 -62.2 -23.1 25.1 2.7 9.4 40 52 A G G 3 S+ 0 0 16 153,-3.0 3,-0.4 1,-0.3 4,-0.4 0.688 85.2 64.1 -61.0 -21.2 25.8 0.5 6.3 41 53 A I G < S+ 0 0 2 -3,-2.1 37,-0.3 152,-0.5 40,-0.3 0.499 105.2 46.5 -82.1 2.3 29.3 -0.2 7.6 42 54 A S S X >S+ 0 0 0 -3,-1.8 5,-1.6 151,-0.2 3,-1.0 0.458 84.1 87.7-119.9 -3.4 27.8 -2.0 10.6 43 55 A T G > 5S+ 0 0 60 -3,-0.4 3,-1.9 -4,-0.4 -2,-0.1 0.851 82.8 60.8 -67.5 -36.7 25.2 -4.2 8.9 44 56 A A G 3 5S+ 0 0 73 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.585 103.2 53.9 -65.8 -11.9 27.8 -7.1 8.3 45 57 A S G < 5S- 0 0 24 -3,-1.0 -1,-0.3 2,-0.2 31,-0.3 0.386 129.7 -94.7 -97.7 1.6 28.2 -7.2 12.1 46 58 A G T < 5S+ 0 0 9 -3,-1.9 23,-2.3 1,-0.3 24,-0.5 0.511 85.2 125.1 100.3 4.3 24.4 -7.7 12.7 47 59 A I < - 0 0 14 -5,-1.6 -1,-0.3 21,-0.2 -2,-0.2 -0.875 57.3-131.6 -99.6 122.6 23.3 -4.0 13.3 48 60 A P - 0 0 22 0, 0.0 7,-0.1 0, 0.0 2,-0.1 -0.314 15.3-132.6 -72.1 153.9 20.5 -3.0 11.0 49 61 A D - 0 0 38 -9,-0.1 7,-2.9 1,-0.1 144,-0.0 -0.088 17.3-118.5 -84.3-162.8 20.7 0.3 9.1 50 62 A F S S+ 0 0 83 5,-0.4 7,-1.8 6,-0.2 8,-1.2 0.774 99.0 23.9-109.9 -38.7 17.9 2.9 8.9 51 63 A R S S+ 0 0 28 6,-0.2 -46,-2.3 5,-0.1 -45,-0.4 0.366 93.5 104.8-121.2 6.3 16.9 3.2 5.2 52 64 A G S > S- 0 0 2 -48,-0.2 3,-1.9 -47,-0.1 6,-0.3 -0.086 93.8 -77.8 -76.2-175.4 18.0 -0.0 3.6 53 65 A P T 3 S+ 0 0 45 0, 0.0 -1,-0.1 0, 0.0 -49,-0.0 0.827 136.4 20.9 -58.3 -39.6 15.5 -2.8 2.6 54 66 A H T 3 S+ 0 0 134 13,-0.0 13,-0.4 4,-0.0 -2,-0.1 -0.063 99.2 142.9-112.3 24.6 15.2 -4.1 6.2 55 67 A G <> - 0 0 0 -3,-1.9 4,-2.5 -7,-0.1 -5,-0.4 -0.205 66.6-102.8 -60.8 159.5 16.4 -0.7 7.7 56 68 A V H > S+ 0 0 22 -7,-2.9 4,-2.2 1,-0.2 -6,-0.2 0.913 121.6 37.3 -49.2 -53.0 14.8 0.6 10.9 57 69 A W H > S+ 0 0 44 -7,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.862 115.3 54.2 -72.9 -38.3 12.6 3.2 9.1 58 70 A T H 4 S+ 0 0 2 -8,-1.2 4,-0.4 -6,-0.3 -1,-0.2 0.851 113.4 43.2 -59.9 -38.0 11.9 1.0 6.1 59 71 A M H ><>S+ 0 0 28 -4,-2.5 5,-2.4 -9,-0.2 3,-1.5 0.883 107.1 59.0 -81.2 -36.9 10.6 -1.7 8.5 60 72 A E H ><5S+ 0 0 111 -4,-2.2 3,-1.7 -5,-0.3 -2,-0.2 0.887 99.4 60.2 -53.7 -40.2 8.7 0.8 10.6 61 73 A E T 3<5S+ 0 0 43 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.725 107.8 44.7 -59.4 -24.0 6.8 1.7 7.4 62 74 A R T < 5S- 0 0 79 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.337 121.0-108.4-101.2 4.0 5.6 -2.0 7.3 63 75 A G T < 5S+ 0 0 20 -3,-1.7 2,-0.3 -4,-0.3 -3,-0.2 0.880 78.5 132.1 67.3 39.4 4.8 -2.1 11.0 64 76 A L < - 0 0 44 -5,-2.4 -1,-0.3 -8,-0.1 -2,-0.2 -0.933 55.5-125.9-120.1 143.7 7.8 -4.3 11.6 65 77 A A - 0 0 84 -2,-0.3 2,-0.1 -3,-0.1 -9,-0.0 -0.610 35.6-100.5 -83.0 150.6 10.6 -4.0 14.3 66 78 A P - 0 0 49 0, 0.0 2,-0.5 0, 0.0 -11,-0.1 -0.362 34.0-129.1 -66.1 148.9 14.3 -3.9 13.3 67 79 A K - 0 0 148 -13,-0.4 2,-0.4 -2,-0.1 -13,-0.0 -0.919 19.1-167.4-108.3 121.9 16.3 -7.1 13.7 68 80 A F - 0 0 70 -2,-0.5 -21,-0.2 -21,-0.1 -22,-0.1 -0.859 12.8-167.5 -97.6 141.0 19.6 -7.2 15.5 69 81 A D S S+ 0 0 120 -23,-2.3 2,-0.3 -2,-0.4 -22,-0.1 0.208 79.2 26.6-106.9 14.4 21.8 -10.3 15.2 70 82 A T S S- 0 0 27 -24,-0.5 2,-0.2 5,-0.0 5,-0.0 -0.953 81.0-111.7-158.4 160.2 24.0 -8.9 18.1 71 83 A T > - 0 0 76 -2,-0.3 4,-0.6 1,-0.1 3,-0.2 -0.643 41.0-109.8 -84.5 163.8 23.8 -6.7 21.1 72 84 A F T >4 S+ 0 0 46 -2,-0.2 3,-0.8 1,-0.2 -1,-0.1 0.924 120.9 53.6 -57.2 -39.7 25.8 -3.4 20.8 73 85 A E T 34 S+ 0 0 65 1,-0.2 -1,-0.2 -3,-0.0 50,-0.0 0.819 110.4 41.8 -63.5 -36.1 28.1 -5.0 23.5 74 86 A S T 34 S+ 0 0 80 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.386 88.5 121.8 -97.4 4.9 28.8 -8.3 21.6 75 87 A A << - 0 0 1 -3,-0.8 -29,-0.1 -4,-0.6 -30,-0.0 -0.455 52.2-147.6 -70.4 137.3 29.2 -6.6 18.3 76 88 A R - 0 0 104 -31,-0.3 28,-0.1 -2,-0.2 -2,-0.1 -0.876 23.3-107.0-101.6 136.0 32.5 -7.0 16.5 77 89 A P - 0 0 6 0, 0.0 178,-0.1 0, 0.0 2,-0.1 -0.333 41.5-124.8 -55.0 141.1 34.0 -4.4 14.3 78 90 A T > - 0 0 11 -37,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.299 27.6 -94.9 -80.8 173.3 33.7 -5.4 10.6 79 91 A Q H > S+ 0 0 53 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.851 129.3 55.7 -54.6 -35.0 36.6 -5.7 8.1 80 92 A T H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.925 105.6 49.5 -67.3 -44.0 35.7 -2.2 7.1 81 93 A H H > S+ 0 0 0 -40,-0.3 4,-1.6 1,-0.2 -2,-0.2 0.945 114.8 44.9 -58.9 -49.8 36.1 -0.9 10.7 82 94 A M H X S+ 0 0 11 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.803 107.9 57.1 -65.1 -32.1 39.5 -2.6 11.0 83 95 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.896 106.5 50.5 -66.3 -40.6 40.6 -1.4 7.5 84 96 A L H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.815 105.9 56.0 -65.3 -37.1 40.0 2.2 8.6 85 97 A V H X S+ 0 0 2 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.949 112.2 43.0 -54.6 -48.0 42.1 1.5 11.8 86 98 A Q H X S+ 0 0 30 -4,-1.9 4,-2.1 2,-0.2 6,-0.2 0.859 109.4 55.5 -71.4 -37.6 45.0 0.4 9.6 87 99 A L H <>S+ 0 0 2 -4,-2.3 5,-2.2 1,-0.2 6,-0.7 0.888 110.8 47.2 -61.4 -38.6 44.6 3.3 7.0 88 100 A E H ><5S+ 0 0 8 -4,-1.8 3,-1.0 4,-0.2 -1,-0.2 0.907 109.1 53.9 -68.3 -41.8 44.9 5.7 9.9 89 101 A R H 3<5S+ 0 0 104 -4,-1.9 179,-3.1 1,-0.3 -2,-0.2 0.879 111.8 43.3 -62.5 -38.6 48.0 3.9 11.4 90 102 A V T 3<5S- 0 0 2 -4,-2.1 -1,-0.3 177,-0.3 -2,-0.2 0.460 120.0-107.3 -88.4 0.6 49.9 4.1 8.1 91 103 A G T < 5S+ 0 0 31 -3,-1.0 -3,-0.2 -4,-0.4 -2,-0.1 0.566 88.1 116.4 87.0 10.1 48.9 7.7 7.5 92 104 A L < + 0 0 15 -5,-2.2 2,-0.4 -6,-0.2 -4,-0.2 0.252 69.5 60.5 -93.8 12.0 46.4 7.2 4.6 93 105 A L - 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