==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE ACTIVATOR 02-OCT-12 4HDA . COMPND 2 MOLECULE: NAD-DEPENDENT PROTEIN DEACYLASE SIRTUIN-5, MITOCH . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.GERTZ,C.STEEGBORN . 540 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23335.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 342 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 0.2 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 . 1 0.2 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 . 45 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 22.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.7 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 5 2 2 2 2 0 2 0 0 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 3 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 PARALLEL BRIDGES PER LADDER . 2 1 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 2 0 0 1 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 35 A R 0 0 204 0, 0.0 3,-0.1 0, 0.0 251,-0.0 0.000 360.0 360.0 360.0 -55.3 4.4 12.7 41.7 2 36 A P - 0 0 42 0, 0.0 251,-0.2 0, 0.0 250,-0.2 0.326 360.0-128.4 -18.1 94.3 4.7 9.9 39.0 3 37 A S B -a 253 0A 32 249,-1.2 251,-2.3 248,-0.2 248,-0.1 -0.174 17.4-157.6 -57.3 144.3 2.7 7.2 40.7 4 38 A S + 0 0 94 249,-0.2 2,-1.1 -3,-0.1 -1,-0.1 0.032 49.6 134.6-100.8 22.8 4.4 3.8 41.1 5 39 A S > + 0 0 38 1,-0.2 4,-2.3 2,-0.1 5,-0.2 -0.632 32.0 170.5 -90.6 97.5 1.0 2.2 41.5 6 40 A M H > S+ 0 0 48 -2,-1.1 4,-0.6 3,-0.2 -1,-0.2 0.462 87.3 67.7 -64.0 -2.0 0.3 -1.0 39.5 7 41 A A H 4 S+ 0 0 68 2,-0.2 4,-0.4 3,-0.1 -1,-0.2 0.960 109.3 23.7 -82.9 -68.0 -2.6 -0.7 41.9 8 42 A D H >> S+ 0 0 70 2,-0.2 4,-2.2 1,-0.2 3,-1.9 0.906 119.4 63.6 -64.5 -43.5 -4.5 2.4 40.7 9 43 A F H 3X S+ 0 0 7 -4,-2.3 4,-2.9 1,-0.3 -1,-0.2 0.922 102.2 49.2 -44.2 -50.4 -2.9 1.8 37.3 10 44 A R H 3X S+ 0 0 96 -4,-0.6 4,-0.7 1,-0.2 -1,-0.3 0.682 107.9 58.4 -66.9 -15.9 -4.8 -1.5 37.1 11 45 A K H <> S+ 0 0 156 -3,-1.9 4,-1.3 -4,-0.4 3,-0.3 0.945 110.9 37.0 -75.9 -53.1 -7.9 0.6 38.1 12 46 A F H X S+ 0 0 71 -4,-2.2 4,-3.6 1,-0.2 3,-0.4 0.917 112.3 60.3 -63.5 -42.5 -7.8 3.0 35.2 13 47 A F H < S+ 0 0 5 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.830 106.8 46.9 -56.1 -33.0 -6.7 0.2 32.9 14 48 A A H < S+ 0 0 64 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.2 0.800 119.9 40.7 -74.8 -30.9 -9.9 -1.6 33.8 15 49 A K H < S+ 0 0 144 -4,-1.3 -2,-0.2 -3,-0.4 -3,-0.2 0.960 91.9 93.4 -80.4 -57.3 -11.8 1.6 33.2 16 50 A A < - 0 0 6 -4,-3.6 3,-0.2 1,-0.1 194,-0.1 0.008 49.2-169.7 -51.2 142.5 -10.2 3.1 30.1 17 51 A K S S+ 0 0 112 1,-0.2 83,-1.6 82,-0.1 2,-0.3 0.485 73.2 40.3-118.5 -11.0 -11.8 2.2 26.7 18 52 A H E S-b 100 0A 45 81,-0.2 191,-1.5 2,-0.0 192,-1.1 -0.729 71.6-171.6-140.8 92.5 -9.4 3.4 24.0 19 53 A I E -bc 101 210A 0 81,-2.1 83,-2.9 -2,-0.3 2,-0.5 -0.670 6.7-162.1 -90.2 136.6 -5.8 2.7 24.9 20 54 A V E -bc 102 211A 0 190,-2.8 192,-3.0 -2,-0.4 2,-0.7 -0.978 5.4-161.4-118.1 129.1 -2.9 4.1 22.9 21 55 A I E -bc 103 212A 2 81,-3.6 83,-3.0 -2,-0.5 2,-0.6 -0.868 4.3-160.2-121.3 99.9 0.5 2.5 23.3 22 56 A I E -bc 104 213A 13 190,-2.7 192,-2.3 -2,-0.7 2,-0.3 -0.674 20.8-150.7 -79.0 118.4 3.6 4.4 22.2 23 57 A S E -bc 105 214A 1 81,-5.2 83,-1.0 -2,-0.6 2,-0.3 -0.654 9.1-148.1-103.2 150.5 6.4 1.9 21.7 24 58 A G >> - 0 0 0 190,-0.6 4,-1.2 -2,-0.3 3,-0.9 -0.744 32.3-108.3-125.0 159.7 10.1 2.4 22.1 25 59 A A H 3> S+ 0 0 20 -2,-0.3 4,-2.3 1,-0.3 3,-0.3 0.862 117.7 62.8 -41.0 -42.8 13.6 1.4 20.9 26 60 A G H 3> S+ 0 0 12 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.919 93.8 57.5 -52.9 -51.3 13.8 -0.4 24.3 27 61 A V H <> S+ 0 0 0 -3,-0.9 4,-0.6 1,-0.3 -1,-0.2 0.909 113.5 41.4 -49.6 -45.0 11.0 -2.7 23.5 28 62 A S H ><>S+ 0 0 4 -4,-1.2 5,-1.1 -3,-0.3 3,-0.5 0.842 111.3 55.6 -70.1 -35.9 12.9 -3.9 20.5 29 63 A A H 3<5S+ 0 0 49 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.731 97.5 63.1 -73.2 -22.5 16.3 -3.9 22.3 30 64 A E H 3<5S+ 0 0 56 -4,-2.1 -1,-0.2 -3,-0.2 -2,-0.2 0.784 101.4 59.1 -71.0 -28.7 15.0 -6.3 25.0 31 65 A S T <<5S- 0 0 28 -4,-0.6 -2,-0.1 -3,-0.5 -3,-0.1 0.538 123.8 -85.0 -61.8-134.2 14.5 -8.8 22.3 32 66 A G T 5S+ 0 0 48 47,-0.2 -3,-0.1 -4,-0.1 -2,-0.1 0.305 84.5 138.3-112.5 5.4 17.8 -9.6 20.5 33 67 A V < - 0 0 15 -5,-1.1 2,-0.3 46,-0.2 -2,-0.1 -0.331 53.6-122.4 -80.5 131.1 17.4 -6.7 18.2 34 68 A P - 0 0 37 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.459 20.1-162.2 -59.2 111.1 20.2 -4.2 17.2 35 69 A T + 0 0 66 -2,-0.3 3,-0.2 1,-0.1 5,-0.1 -0.701 17.5 166.8 -85.5 150.7 19.7 -0.6 17.9 36 70 A F + 0 0 27 -2,-0.3 2,-4.3 1,-0.1 12,-0.2 0.497 69.2 70.6-131.5 -50.9 21.9 1.7 16.0 37 71 A R S S+ 0 0 80 11,-0.2 2,-0.2 10,-0.1 -1,-0.1 -0.431 100.7 91.7 -60.7 73.1 20.4 5.1 16.4 38 72 A G S S- 0 0 43 -2,-4.3 10,-0.1 -3,-0.2 3,-0.1 -0.695 98.2 -71.5-155.6-166.2 21.9 4.3 19.8 39 73 A A S S- 0 0 111 -2,-0.2 2,-0.2 1,-0.1 -1,-0.1 0.987 102.4 -12.3 -75.5 -61.5 25.0 4.6 22.0 40 74 A G S S+ 0 0 45 1,-0.1 -1,-0.1 -5,-0.1 -5,-0.1 -0.628 84.2 94.9-127.9-169.1 27.4 2.2 20.3 41 75 A G - 0 0 50 -2,-0.2 -3,-0.1 -3,-0.1 7,-0.1 0.921 46.0-175.1 80.1 78.8 27.3 -0.5 17.7 42 76 A Y - 0 0 136 2,-0.1 4,-0.1 5,-0.1 3,-0.1 0.773 31.2-120.4 -77.1 -29.5 28.2 1.5 14.6 43 77 A W > - 0 0 12 113,-0.1 3,-1.7 1,-0.1 114,-0.1 0.671 65.2 -50.2 66.3 112.7 27.9 -1.0 11.7 44 78 A R T 3 S- 0 0 22 112,-1.5 -2,-0.1 1,-0.2 -1,-0.1 0.179 117.3 -11.3 34.3-128.3 31.3 -1.1 10.1 45 79 A K T 3 S+ 0 0 140 112,-0.2 2,-0.3 115,-0.1 -1,-0.2 0.149 115.2 67.0 -94.7 18.6 33.1 2.1 9.2 46 80 A W S < S- 0 0 92 -3,-1.7 2,-0.2 -4,-0.1 5,-0.1 -0.959 77.9-104.8-144.5 154.6 30.3 4.6 9.6 47 81 A Q > - 0 0 91 -2,-0.3 4,-0.6 1,-0.1 5,-0.1 -0.568 29.1-144.8 -68.6 139.0 27.9 6.5 11.9 48 82 A A H > S+ 0 0 12 2,-0.3 4,-1.2 1,-0.3 -11,-0.2 0.685 102.7 59.4 -88.7 -21.7 24.4 5.0 11.4 49 83 A Q H 4 S+ 0 0 36 -13,-0.2 -1,-0.3 1,-0.2 140,-0.1 0.645 111.1 50.6 -66.1 -14.1 22.7 8.4 11.8 50 84 A D H 4 S+ 0 0 82 1,-0.1 3,-0.4 2,-0.1 -2,-0.3 0.690 107.1 46.4-100.1 -25.0 25.0 8.9 8.8 51 85 A L H < S+ 0 0 6 -4,-0.6 2,-0.3 1,-0.2 -2,-0.1 0.742 103.0 67.1 -85.0 -24.1 24.1 5.9 6.6 52 86 A A S < S+ 0 0 6 -4,-1.2 137,-1.7 -5,-0.1 -1,-0.2 -0.122 80.1 104.1 -94.0 38.1 20.4 6.5 7.1 53 87 A T S >> S- 0 0 12 -3,-0.4 4,-1.3 -2,-0.3 3,-0.6 -0.826 79.1-117.6-114.7 157.0 20.2 9.8 5.2 54 88 A P T 34 S+ 0 0 27 0, 0.0 4,-0.3 0, 0.0 136,-0.1 0.698 113.8 55.9 -65.4 -20.7 18.9 10.5 1.7 55 89 A L T 3> S+ 0 0 29 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.718 99.0 60.6 -86.9 -21.6 22.3 11.7 0.5 56 90 A A H <> S+ 0 0 18 -3,-0.6 4,-2.9 2,-0.2 -1,-0.2 0.962 104.5 48.2 -61.6 -51.1 23.9 8.4 1.5 57 91 A F H < S+ 0 0 21 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.717 114.0 51.3 -60.8 -18.0 21.5 6.6 -0.9 58 92 A A H 4 S+ 0 0 67 -4,-0.3 -2,-0.2 2,-0.2 -1,-0.2 0.879 117.0 34.0 -86.2 -43.2 22.7 9.3 -3.4 59 93 A H H < S+ 0 0 131 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.890 141.8 4.8 -84.1 -47.4 26.4 8.9 -2.9 60 94 A N < + 0 0 19 -4,-2.9 4,-0.4 -5,-0.2 3,-0.2 -0.577 60.0 167.1-140.1 88.5 26.5 5.1 -2.3 61 95 A P S >> S+ 0 0 18 0, 0.0 4,-2.2 0, 0.0 3,-1.0 0.842 81.1 62.0 -50.7 -40.8 23.1 3.3 -2.6 62 96 A S H 3> S+ 0 0 2 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.932 103.4 44.6 -56.3 -50.8 25.0 0.1 -2.6 63 97 A R H 34 S+ 0 0 67 -3,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.429 110.7 55.7 -83.8 1.5 26.5 0.4 0.8 64 98 A V H X> S+ 0 0 0 -3,-1.0 4,-1.6 -4,-0.4 3,-1.3 0.861 108.0 44.9 -94.6 -56.8 23.2 1.6 2.3 65 99 A W H 3X S+ 0 0 2 -4,-2.2 4,-4.3 1,-0.3 3,-0.5 0.912 107.5 63.2 -42.7 -43.8 21.3 -1.5 1.1 66 100 A E H 3X S+ 0 0 0 -4,-2.2 4,-1.4 -5,-0.3 -1,-0.3 0.906 104.9 45.5 -46.7 -42.9 24.4 -3.1 2.5 67 101 A F H <> S+ 0 0 0 -3,-1.3 4,-1.4 -4,-0.4 -1,-0.3 0.775 118.9 40.4 -72.4 -29.6 23.3 -1.7 5.8 68 102 A Y H X S+ 0 0 2 -4,-1.6 4,-2.1 -3,-0.5 5,-0.3 0.686 104.3 62.9-100.4 -23.0 19.7 -2.7 5.4 69 103 A H H X S+ 0 0 15 -4,-4.3 4,-2.7 -5,-0.2 -2,-0.2 0.998 109.7 45.4 -53.6 -64.0 20.3 -6.2 3.9 70 104 A Y H X S+ 0 0 51 -4,-1.4 4,-1.9 -5,-0.3 5,-0.3 0.912 112.2 51.3 -38.1 -65.7 21.9 -6.9 7.2 71 105 A R H X S+ 0 0 40 -4,-1.4 4,-1.0 1,-0.3 -2,-0.2 0.925 111.5 44.6 -37.1 -78.7 19.1 -5.3 9.1 72 106 A R H < S+ 0 0 9 -4,-2.1 3,-0.4 1,-0.2 -1,-0.3 0.835 118.1 51.4 -31.8 -45.6 16.3 -7.2 7.4 73 107 A E H >< S+ 0 0 58 -4,-2.7 3,-3.2 -5,-0.3 4,-0.3 0.992 95.5 59.2 -63.5 -78.8 18.6 -10.3 7.9 74 108 A V H >< S+ 0 0 23 -4,-1.9 3,-0.9 1,-0.3 -1,-0.2 0.598 96.9 68.2 -25.7 -28.5 19.5 -10.3 11.6 75 109 A M T 3< S+ 0 0 9 -4,-1.0 -1,-0.3 -3,-0.4 3,-0.2 0.501 72.5 84.1 -84.6 -3.5 15.8 -10.6 12.5 76 110 A G T < S+ 0 0 71 -3,-3.2 -1,-0.2 1,-0.2 -2,-0.1 0.908 103.0 37.4 -54.8 -38.9 15.4 -14.1 11.1 77 111 A S S < S+ 0 0 83 -3,-0.9 2,-0.3 -4,-0.3 -1,-0.2 0.474 102.0 91.4 -95.6 -4.6 16.7 -15.1 14.5 78 112 A K - 0 0 43 -3,-0.2 -47,-0.0 -4,-0.2 -3,-0.0 -0.719 57.0-162.5 -95.7 147.5 15.0 -12.5 16.6 79 113 A E - 0 0 126 -2,-0.3 -47,-0.2 36,-0.0 -46,-0.2 -0.831 28.8 -93.9-123.1 158.4 11.5 -12.9 18.3 80 114 A P - 0 0 17 0, 0.0 2,-0.1 0, 0.0 32,-0.1 -0.516 49.1-146.3 -60.8 137.1 8.7 -10.9 19.8 81 115 A N > - 0 0 22 -2,-0.2 4,-2.3 -54,-0.2 5,-0.2 -0.153 32.8 -78.6 -99.1-164.9 9.3 -10.7 23.6 82 116 A A H > S+ 0 0 26 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.783 130.6 49.7 -70.0 -27.9 7.0 -10.6 26.7 83 117 A G H > S+ 0 0 0 2,-0.2 4,-2.4 3,-0.2 5,-0.3 0.980 110.0 47.4 -68.9 -62.0 6.4 -6.9 26.1 84 118 A H H > S+ 0 0 0 1,-0.2 4,-1.1 -57,-0.2 -2,-0.2 0.871 120.4 43.3 -45.5 -39.6 5.5 -7.3 22.4 85 119 A R H X S+ 0 0 113 -4,-2.3 4,-2.8 2,-0.2 5,-0.4 0.929 107.8 53.6 -78.1 -48.3 3.3 -10.1 23.5 86 120 A A H X S+ 0 0 6 -4,-3.1 4,-2.7 1,-0.3 5,-0.3 0.974 114.0 46.6 -47.4 -57.7 1.6 -8.6 26.6 87 121 A I H X S+ 0 0 0 -4,-2.4 4,-0.9 1,-0.2 -1,-0.3 0.792 113.0 49.3 -51.3 -37.7 0.6 -5.7 24.3 88 122 A A H >X S+ 0 0 2 -4,-1.1 4,-2.0 -5,-0.3 3,-0.6 0.971 112.5 44.6 -70.0 -54.1 -0.6 -8.1 21.6 89 123 A E H 3X S+ 0 0 109 -4,-2.8 4,-2.1 1,-0.3 -2,-0.2 0.917 110.4 55.0 -58.5 -48.0 -2.8 -10.3 23.8 90 124 A C H 3X S+ 0 0 0 -4,-2.7 4,-1.0 -5,-0.4 -1,-0.3 0.813 106.7 53.9 -52.8 -32.3 -4.2 -7.2 25.6 91 125 A E H X S+ 0 0 95 -4,-2.0 4,-1.4 2,-0.2 3,-0.9 0.982 111.4 50.6 -54.7 -68.4 -7.0 -9.2 21.2 93 127 A R H >X S+ 0 0 103 -4,-2.1 4,-2.7 1,-0.3 3,-0.9 0.872 116.1 37.1 -34.1 -77.9 -9.0 -9.5 24.5 94 128 A L H 3X>S+ 0 0 2 -4,-1.0 5,-3.4 1,-0.3 4,-2.9 0.719 106.7 75.9 -56.1 -19.7 -10.5 -6.0 24.9 95 129 A G H <<5S+ 0 0 44 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.977 109.2 24.5 -53.1 -59.4 -10.8 -6.3 21.1 96 130 A K H <<5S+ 0 0 202 -4,-1.4 -2,-0.2 -3,-0.9 -1,-0.2 0.844 117.0 64.4 -79.0 -33.5 -13.8 -8.6 21.4 97 131 A Q H <5S- 0 0 125 -4,-2.7 -2,-0.2 -5,-0.3 -3,-0.2 0.984 125.6 -98.2 -43.6 -69.0 -14.7 -7.3 24.9 98 132 A G T <5S+ 0 0 60 -4,-2.9 2,-0.3 1,-0.2 -3,-0.2 0.467 82.5 104.7 153.0 43.4 -15.3 -4.0 23.1 99 133 A R < - 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