==== 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 11-NOV-10 3PKI . 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 . 1671 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 65682.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1043 62.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 184 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 86 5.1 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 . 1 0.1 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 . 81 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 150 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 359 21.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 39 2.3 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 6 2 6 4 0 0 0 7 6 5 0 0 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 5 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 . 7 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 . 5 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 11 A A 0 0 101 0, 0.0 2,-0.9 0, 0.0 175,-0.0 0.000 360.0 360.0 360.0 -54.1 17.8 -2.6 10.9 2 12 A D - 0 0 138 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.717 360.0-179.6 -81.1 106.0 15.8 -5.8 10.0 3 13 A K - 0 0 35 -2,-0.9 -1,-0.1 1,-0.3 56,-0.1 0.370 30.5-144.4 -90.1 4.7 12.7 -5.5 12.2 4 14 A G - 0 0 29 2,-0.1 2,-0.7 55,-0.0 -1,-0.3 -0.220 50.9 -9.3 69.5-158.0 11.3 -8.8 10.8 5 15 A K S S- 0 0 139 2,-0.0 2,-0.3 -2,-0.0 3,-0.2 -0.707 73.2-174.4 -81.2 111.6 7.6 -9.7 10.2 6 16 A C + 0 0 28 -2,-0.7 48,-0.2 1,-0.2 47,-0.1 -0.832 54.5 13.4-111.5 147.6 5.4 -7.0 11.7 7 17 A G S S+ 0 0 31 46,-2.0 -1,-0.2 -2,-0.3 47,-0.1 0.641 71.0 170.3 66.6 23.5 1.6 -6.6 12.0 8 18 A L - 0 0 46 45,-0.5 -1,-0.2 -3,-0.2 45,-0.0 -0.341 46.3 -92.8 -60.5 139.5 0.7 -10.3 11.2 9 19 A P - 0 0 105 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.231 44.4-109.2 -57.4 147.1 -3.0 -10.9 12.0 10 20 A E - 0 0 48 220,-0.2 2,-0.4 -3,-0.1 220,-0.2 -0.469 24.2-144.9 -77.0 150.3 -3.8 -12.3 15.5 11 21 A I - 0 0 65 218,-4.0 2,-0.4 -2,-0.1 217,-0.1 -0.934 11.4-167.2-115.7 138.8 -5.0 -15.9 16.1 12 22 A F - 0 0 110 -2,-0.4 232,-0.2 232,-0.0 217,-0.1 -0.995 16.6-136.5-130.0 122.5 -7.5 -16.8 18.9 13 23 A D - 0 0 18 230,-2.7 5,-0.0 -2,-0.4 229,-0.0 -0.536 36.8-100.7 -72.1 143.9 -8.2 -20.4 20.0 14 24 A P > - 0 0 71 0, 0.0 4,-2.8 0, 0.0 3,-0.2 -0.241 38.7-102.9 -61.5 155.0 -12.0 -21.1 20.5 15 25 A P H > S+ 0 0 108 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.882 120.2 42.7 -47.4 -51.8 -13.2 -21.0 24.1 16 26 A E H > S+ 0 0 96 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.841 115.5 49.5 -64.7 -37.6 -13.4 -24.9 24.7 17 27 A E H > S+ 0 0 61 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.914 111.0 51.0 -67.2 -41.8 -10.0 -25.4 22.9 18 28 A L H X S+ 0 0 12 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.919 110.3 48.3 -60.4 -47.4 -8.4 -22.7 25.0 19 29 A E H X S+ 0 0 58 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.889 112.2 49.3 -60.3 -43.0 -9.7 -24.3 28.3 20 30 A R H X S+ 0 0 153 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.892 111.0 49.8 -63.6 -43.0 -8.4 -27.8 27.2 21 31 A K H X S+ 0 0 30 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.866 108.4 51.4 -66.5 -39.6 -4.9 -26.3 26.3 22 32 A V H X S+ 0 0 1 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.889 110.1 50.2 -67.7 -36.7 -4.6 -24.5 29.7 23 33 A W H X S+ 0 0 126 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.919 111.4 48.7 -64.6 -39.2 -5.4 -27.8 31.5 24 34 A E H X S+ 0 0 69 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.876 109.9 51.6 -65.9 -38.1 -2.7 -29.5 29.3 25 35 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.923 108.9 50.8 -62.7 -44.2 -0.3 -26.7 30.2 26 36 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.909 109.7 51.1 -58.2 -43.0 -1.1 -27.3 34.0 27 37 A R H X S+ 0 0 56 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.925 111.0 47.3 -59.5 -48.5 -0.4 -31.1 33.3 28 38 A L H X S+ 0 0 6 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.866 113.0 48.7 -62.9 -39.0 3.0 -30.3 31.7 29 39 A V H < S+ 0 0 0 -4,-2.4 3,-0.2 2,-0.2 -2,-0.2 0.933 112.5 48.6 -66.7 -45.5 4.0 -27.9 34.6 30 40 A W H < S+ 0 0 31 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.873 117.0 41.5 -60.4 -41.0 3.0 -30.5 37.3 31 41 A Q H < S+ 0 0 41 -4,-2.2 2,-0.3 -5,-0.2 689,-0.2 0.639 96.2 93.0 -84.3 -20.4 5.0 -33.3 35.5 32 42 A S < - 0 0 26 -4,-1.4 3,-0.2 -3,-0.2 687,-0.1 -0.591 53.0-163.8 -84.6 140.3 8.1 -31.3 34.6 33 43 A S S S+ 0 0 67 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.685 84.5 35.0 -90.4 -26.3 11.2 -31.2 36.9 34 44 A S S S- 0 0 5 60,-0.1 162,-1.7 2,-0.0 163,-1.5 -0.887 70.8-174.8-137.2 101.4 12.9 -28.1 35.3 35 45 A V E -a 197 0A 3 -2,-0.4 61,-3.0 -3,-0.2 62,-1.3 -0.879 1.6-171.3-103.7 121.8 10.6 -25.4 33.9 36 46 A V E -ab 198 97A 0 161,-2.9 163,-2.4 -2,-0.5 2,-0.4 -0.948 7.5-156.1-113.6 127.5 12.1 -22.4 31.9 37 47 A F E -ab 199 98A 0 60,-2.4 62,-3.3 -2,-0.5 2,-0.5 -0.868 2.7-162.9-103.9 139.4 10.0 -19.4 31.0 38 48 A H E -ab 200 99A 3 161,-2.6 163,-2.9 -2,-0.4 2,-0.3 -0.989 14.9-168.5-122.5 115.5 10.9 -17.2 28.0 39 49 A T E +ab 201 100A 0 60,-2.8 62,-1.9 -2,-0.5 63,-0.3 -0.861 9.5 177.4-115.8 149.3 9.1 -13.8 28.0 40 50 A G > - 0 0 2 161,-2.0 3,-1.9 -2,-0.3 163,-0.2 -0.680 52.7 -70.1-130.7-177.0 8.8 -11.1 25.4 41 51 A A G > S+ 0 0 19 1,-0.3 3,-1.5 -2,-0.2 4,-0.4 0.619 114.5 77.1 -54.5 -21.4 7.1 -7.7 25.0 42 52 A G G 3 S+ 0 0 15 160,-3.0 3,-0.5 1,-0.3 4,-0.4 0.743 84.9 62.1 -64.2 -25.6 3.6 -9.3 24.8 43 53 A I G < S+ 0 0 1 -3,-1.9 40,-0.3 158,-0.4 37,-0.3 0.516 105.6 47.1 -80.2 -4.6 3.4 -9.8 28.6 44 54 A S S X >S+ 0 0 1 -3,-1.5 5,-1.7 158,-0.2 3,-1.4 0.436 84.4 87.3-113.7 -4.4 3.6 -6.0 29.2 45 55 A T G > 5S+ 0 0 14 -3,-0.5 3,-1.8 -4,-0.4 1152,-0.1 0.872 84.5 59.7 -63.6 -34.4 1.0 -4.7 26.7 46 56 A A G 3 5S+ 0 0 12 -4,-0.4 -1,-0.3 1,-0.3 1158,-0.2 0.595 101.5 55.9 -67.4 -13.0 -1.7 -5.2 29.4 47 57 A S G < 5S- 0 0 7 -3,-1.4 31,-0.3 2,-0.2 -1,-0.3 0.339 129.2 -96.6 -97.8 1.9 0.3 -2.6 31.5 48 58 A G T < 5S+ 0 0 1 -3,-1.8 23,-2.8 1,-0.3 24,-0.5 0.519 87.0 124.6 94.1 8.9 0.1 0.0 28.7 49 59 A I < - 0 0 11 -5,-1.7 -1,-0.3 21,-0.2 -2,-0.2 -0.896 58.7-129.9-100.1 120.2 3.5 -0.7 27.1 50 60 A P - 0 0 18 0, 0.0 7,-0.1 0, 0.0 2,-0.0 -0.326 16.3-131.4 -68.1 153.5 3.3 -1.4 23.3 51 61 A D - 0 0 34 -9,-0.1 7,-2.8 1,-0.1 8,-0.0 -0.084 19.7-115.3 -84.8-164.0 5.0 -4.5 22.0 52 62 A F S S+ 0 0 70 5,-0.3 8,-1.6 6,-0.2 7,-1.4 0.830 99.9 21.1-103.3 -41.9 7.3 -4.4 18.8 53 63 A R S S+ 0 0 25 6,-0.2 -46,-2.0 5,-0.1 -45,-0.5 0.300 92.0 110.1-117.8 9.2 5.6 -6.5 16.1 54 64 A G S > S- 0 0 1 -48,-0.2 3,-2.3 -47,-0.1 -47,-0.2 -0.136 93.1 -79.3 -73.9 177.2 1.9 -6.7 17.2 55 65 A P T 3 S+ 0 0 32 0, 0.0 -1,-0.1 0, 0.0 -49,-0.0 0.831 136.4 22.9 -47.6 -37.3 -0.9 -4.9 15.2 56 66 A H T 3 S+ 0 0 28 4,-0.1 13,-0.4 13,-0.0 -3,-0.1 -0.062 96.8 144.9-119.7 30.1 0.0 -1.6 17.0 57 67 A G <> - 0 0 0 -3,-2.3 4,-3.1 -7,-0.1 -5,-0.3 -0.164 63.7-106.4 -66.3 161.5 3.6 -2.5 17.9 58 68 A V H > S+ 0 0 23 -7,-2.8 4,-2.0 2,-0.2 -6,-0.2 0.924 122.4 36.8 -54.9 -53.0 6.6 -0.0 17.9 59 69 A W H > S+ 0 0 38 -7,-1.4 4,-2.8 2,-0.2 5,-0.2 0.933 116.3 55.0 -68.8 -42.4 8.1 -1.5 14.6 60 70 A T H > S+ 0 0 3 -8,-1.6 4,-1.4 1,-0.2 -2,-0.2 0.904 113.9 39.1 -54.2 -52.3 4.6 -2.1 13.1 61 71 A M H <>S+ 0 0 0 -4,-3.1 5,-3.5 2,-0.2 -1,-0.2 0.907 115.4 53.4 -67.3 -41.1 3.5 1.6 13.6 62 72 A E H ><5S+ 0 0 94 -4,-2.0 3,-1.2 -5,-0.3 -2,-0.2 0.878 109.7 48.0 -58.6 -45.6 7.0 3.0 12.6 63 73 A E H 3<5S+ 0 0 111 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.840 112.4 50.0 -64.4 -36.3 6.9 1.0 9.3 64 74 A R T 3<5S- 0 0 141 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.118 120.4-107.9 -91.1 17.0 3.4 2.2 8.6 65 75 A G T < 5S+ 0 0 77 -3,-1.2 -3,-0.2 1,-0.2 2,-0.2 0.748 84.7 114.8 60.1 29.7 4.3 5.9 9.2 66 76 A L < - 0 0 31 -5,-3.5 -1,-0.2 -6,-0.1 -2,-0.1 -0.647 65.2-115.0-117.1 172.7 2.4 5.9 12.5 67 77 A A - 0 0 63 -2,-0.2 2,-0.1 -3,-0.1 -9,-0.0 -0.921 24.4-118.9-113.7 140.2 3.6 6.3 16.1 68 78 A P - 0 0 42 0, 0.0 2,-0.5 0, 0.0 -11,-0.1 -0.413 30.7-130.2 -70.9 154.5 3.3 3.6 18.9 69 79 A K - 0 0 28 -13,-0.4 2,-0.4 -2,-0.1 -11,-0.0 -0.929 14.8-161.5-113.5 131.3 1.2 4.6 21.9 70 80 A F - 0 0 57 -2,-0.5 -21,-0.2 -21,-0.1 1102,-0.1 -0.913 6.1-169.0-105.1 131.1 2.3 4.3 25.6 71 81 A D S S+ 0 0 32 -23,-2.8 2,-0.3 -2,-0.4 1101,-0.2 0.279 76.9 20.9-100.0 8.8 -0.6 4.4 28.2 72 82 A T S S- 0 0 2 -24,-0.5 2,-0.2 1099,-0.1 -25,-0.0 -0.954 81.5-106.4-160.4 167.3 2.0 4.8 31.0 73 83 A T > - 0 0 32 -2,-0.3 4,-1.2 1,-0.1 3,-0.1 -0.618 38.6-112.4 -93.9 165.1 5.6 5.9 31.7 74 84 A F T 4 S+ 0 0 51 -2,-0.2 -1,-0.1 1,-0.2 3,-0.1 0.879 118.3 51.2 -66.6 -33.5 8.1 3.1 32.4 75 85 A E T 4 S+ 0 0 67 1,-0.2 -1,-0.2 66,-0.0 50,-0.0 0.795 114.4 41.2 -69.9 -36.4 8.5 4.4 36.0 76 86 A S T 4 S+ 0 0 12 2,-0.1 -1,-0.2 -3,-0.1 -2,-0.2 0.577 89.9 112.7 -90.7 -9.5 4.7 4.4 36.7 77 87 A A < - 0 0 1 -4,-1.2 -29,-0.1 27,-0.1 -30,-0.0 -0.325 56.1-149.3 -63.8 139.4 4.0 1.0 34.9 78 88 A R - 0 0 37 -31,-0.3 28,-0.1 1094,-0.2 -2,-0.1 -0.844 24.6 -96.2-110.3 149.2 2.9 -1.8 37.2 79 89 A P - 0 0 0 0, 0.0 185,-0.1 0, 0.0 -35,-0.1 -0.354 43.5-123.2 -62.1 143.6 3.6 -5.5 36.7 80 90 A T > - 0 0 5 -37,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.256 29.3 -95.8 -76.8 175.1 0.8 -7.4 35.0 81 91 A Q H > S+ 0 0 19 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.834 128.9 54.4 -57.5 -36.1 -1.0 -10.5 36.4 82 92 A T H > S+ 0 0 0 2,-0.2 4,-2.0 -39,-0.2 -1,-0.2 0.904 105.9 50.4 -66.2 -45.8 1.4 -12.6 34.2 83 93 A H H > S+ 0 0 0 -40,-0.3 4,-1.2 1,-0.2 -2,-0.2 0.913 114.7 44.0 -57.6 -45.9 4.5 -10.9 35.8 84 94 A M H X S+ 0 0 4 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.810 109.1 56.3 -71.6 -30.8 3.1 -11.6 39.3 85 95 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.888 106.4 51.2 -68.1 -36.8 2.1 -15.2 38.4 86 96 A L H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.840 106.5 54.8 -66.6 -34.9 5.8 -15.8 37.4 87 97 A V H X S+ 0 0 1 -4,-1.2 4,-2.2 1,-0.2 3,-0.2 0.968 111.5 44.2 -61.3 -50.4 6.9 -14.5 40.8 88 98 A Q H X S+ 0 0 31 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.848 109.5 55.7 -63.3 -38.7 4.6 -17.0 42.5 89 99 A L H <>S+ 0 0 0 -4,-2.2 5,-3.2 1,-0.2 6,-0.6 0.876 111.3 44.4 -63.1 -37.0 5.7 -19.9 40.2 90 100 A E H ><5S+ 0 0 6 -4,-1.8 3,-1.1 4,-0.2 5,-0.2 0.906 110.1 55.6 -70.4 -44.5 9.4 -19.3 41.2 91 101 A R H 3<5S+ 0 0 89 -4,-2.2 186,-3.1 1,-0.3 -2,-0.2 0.832 112.3 41.9 -57.8 -38.1 8.5 -18.9 44.9 92 102 A V T 3<5S- 0 0 3 -4,-1.8 -1,-0.3 184,-0.3 -2,-0.2 0.407 120.0-107.9 -92.2 1.4 6.7 -22.4 45.0 93 103 A G T < 5S+ 0 0 35 -3,-1.1 -3,-0.2 -4,-0.3 -2,-0.1 0.725 87.3 117.6 80.4 25.7 9.5 -24.1 42.9 94 104 A L < + 0 0 10 -5,-3.2 2,-0.4 -6,-0.2 -4,-0.2 0.210 69.4 59.5-103.4 11.0 7.5 -24.5 39.6 95 105 A L + 0 0 3 -6,-0.6 -59,-0.2 -5,-0.2 -2,-0.2 -0.961 54.0 178.9-142.6 119.4 9.9 -22.2 37.7 96 106 A R S S- 0 0 125 -61,-3.0 2,-0.3 -2,-0.4 -60,-0.2 0.867 70.7 -3.5 -85.9 -46.3 13.7 -22.9 37.4 97 107 A F E -b 36 0A 16 -62,-1.3 -60,-2.4 94,-0.1 2,-0.4 -0.983 54.9-144.8-151.4 155.5 14.7 -20.0 35.2 98 108 A L E -bc 37 117A 0 18,-2.2 20,-2.4 -2,-0.3 2,-0.5 -0.992 10.5-167.8-129.2 119.3 13.3 -16.9 33.4 99 109 A V E -bc 38 118A 4 -62,-3.3 -60,-2.8 -2,-0.4 2,-0.4 -0.944 16.0-176.2-106.4 120.5 14.7 -15.7 30.1 100 110 A S E -bc 39 119A 1 18,-3.2 20,-1.8 -2,-0.5 21,-0.4 -0.950 33.0-172.4-125.7 148.2 13.5 -12.3 29.1 101 111 A Q + 0 0 27 -62,-1.9 2,-0.2 -2,-0.4 -61,-0.2 0.324 58.8 115.8-106.6 -3.4 13.9 -10.0 26.0 102 112 A N - 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