==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-MAY-04 1T64 . COMPND 2 MOLECULE: HISTONE DEACETYLASE 8; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.R.SOMOZA,R.J.SKENE,B.A.KATZ,C.MOL,J.D.HO,A.J.JENNINGS,C.LU . 728 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28604.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 500 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 6 0.8 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 0.1 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 . 49 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 230 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.5 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 0 4 0 2 0 2 2 2 0 2 2 0 0 2 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 2 6 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 . 8 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 0 0 0 0 0 2 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 14 A L 0 0 189 0, 0.0 118,-0.2 0, 0.0 117,-0.1 0.000 360.0 360.0 360.0 -48.6 67.3 46.2 -11.5 2 15 A V - 0 0 59 115,-0.2 118,-0.2 1,-0.1 39,-0.1 -0.553 360.0-102.6 -73.8 143.4 66.5 46.0 -7.8 3 16 A P - 0 0 13 0, 0.0 39,-3.0 0, 0.0 2,-0.4 -0.345 30.4-119.6 -63.2 146.1 66.5 49.4 -6.0 4 17 A V E -ab 42 121A 0 116,-2.9 118,-2.4 37,-0.2 2,-0.6 -0.733 22.8-159.1 -83.8 134.0 69.6 50.3 -3.9 5 18 A Y E -ab 43 122A 9 37,-2.6 39,-2.6 -2,-0.4 2,-0.7 -0.967 11.7-142.1-115.3 112.8 68.7 50.9 -0.3 6 19 A I E +a 44 0A 6 116,-2.7 2,-0.3 -2,-0.6 118,-0.3 -0.667 46.8 134.8 -80.3 114.8 71.4 53.0 1.5 7 20 A Y + 0 0 42 37,-2.2 -2,-0.1 -2,-0.7 3,-0.1 -0.973 23.5 155.5-161.4 141.2 71.6 51.6 5.0 8 21 A S > - 0 0 8 -2,-0.3 4,-2.3 37,-0.2 5,-0.2 -0.910 47.0-119.1-154.6 154.0 73.9 50.5 7.7 9 22 A P H > S+ 0 0 57 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.901 118.3 53.7 -57.2 -37.3 73.3 50.2 11.5 10 23 A E H > S+ 0 0 90 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.888 107.4 49.9 -62.0 -42.1 76.1 52.7 11.9 11 24 A Y H > S+ 0 0 11 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.908 111.2 47.9 -65.6 -42.9 74.5 55.2 9.5 12 25 A V H X S+ 0 0 17 -4,-2.3 4,-1.4 2,-0.2 14,-0.2 0.934 111.1 51.3 -65.5 -42.3 71.2 55.0 11.2 13 26 A S H < S+ 0 0 71 -4,-2.4 3,-0.2 1,-0.2 -2,-0.2 0.911 111.8 48.0 -58.1 -45.0 72.9 55.5 14.6 14 27 A M H >< S+ 0 0 16 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.897 109.3 51.2 -62.9 -44.2 74.7 58.6 13.2 15 28 A C H 3< S+ 0 0 10 -4,-2.6 3,-0.3 1,-0.3 -1,-0.2 0.756 116.1 43.7 -64.7 -24.5 71.5 60.0 11.7 16 29 A D T 3< S+ 0 0 14 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.164 92.3 90.8-101.8 15.3 69.9 59.6 15.2 17 30 A S < + 0 0 52 -3,-1.5 2,-0.3 77,-0.1 -1,-0.1 0.521 53.0 104.9 -97.4 -7.3 72.9 60.9 17.2 18 31 A L S S- 0 0 8 -3,-0.3 3,-0.5 -4,-0.2 76,-0.1 -0.600 76.1-110.4 -82.7 134.7 72.2 64.6 17.6 19 32 A A S S+ 0 0 60 74,-0.3 2,-1.0 -2,-0.3 -1,-0.1 -0.305 96.3 1.7 -59.9 140.4 71.0 65.8 21.0 20 33 A K S S+ 0 0 111 1,-0.2 -1,-0.2 3,-0.0 -2,-0.0 0.083 99.4 113.2 69.2 -27.5 67.4 67.0 21.1 21 34 A I S S- 0 0 42 -2,-1.0 -1,-0.2 -3,-0.5 -3,-0.1 -0.690 79.6-110.0 -71.3 123.4 66.8 66.2 17.3 22 35 A P - 0 0 83 0, 0.0 2,-1.5 0, 0.0 -4,-0.1 -0.188 25.2-109.5 -61.2 152.9 64.2 63.3 17.5 23 36 A K > + 0 0 142 1,-0.2 4,-0.8 2,-0.1 3,-0.2 -0.456 59.6 144.4 -91.3 71.4 65.4 59.8 16.5 24 37 A R H > + 0 0 27 -2,-1.5 4,-2.5 -9,-0.2 -1,-0.2 0.761 53.9 69.3 -81.6 -32.8 63.6 59.2 13.2 25 38 A A H > S+ 0 0 8 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.886 101.3 47.4 -59.8 -43.3 66.1 57.2 11.1 26 39 A S H > S+ 0 0 28 -14,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.869 110.9 52.1 -67.5 -38.1 65.7 54.1 13.2 27 40 A M H X S+ 0 0 15 -4,-0.8 4,-1.9 2,-0.2 -2,-0.2 0.938 112.1 46.1 -59.8 -47.6 61.9 54.3 13.1 28 41 A V H X S+ 0 0 4 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.956 117.3 42.4 -62.1 -51.8 61.9 54.6 9.3 29 42 A H H X S+ 0 0 11 -4,-2.7 4,-3.2 1,-0.2 5,-0.2 0.921 112.4 54.0 -61.3 -44.7 64.4 51.7 8.8 30 43 A S H X S+ 0 0 4 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.858 109.7 47.4 -62.1 -36.6 62.7 49.5 11.4 31 44 A L H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.922 112.8 47.9 -70.7 -43.4 59.3 49.8 9.7 32 45 A I H <>S+ 0 0 0 -4,-2.1 5,-2.1 1,-0.2 6,-0.4 0.915 114.9 47.1 -59.3 -44.5 60.8 49.1 6.3 33 46 A E H ><5S+ 0 0 88 -4,-3.2 3,-1.1 1,-0.2 -2,-0.2 0.856 106.5 57.7 -64.3 -36.5 62.6 46.1 7.8 34 47 A A H 3<5S+ 0 0 30 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.838 108.3 46.3 -63.4 -33.6 59.3 45.1 9.6 35 48 A Y T 3<5S- 0 0 27 -4,-1.6 -1,-0.3 -3,-0.1 -2,-0.2 0.410 113.3-126.7 -86.9 -1.4 57.7 44.9 6.2 36 49 A A T X 5 + 0 0 44 -3,-1.1 3,-1.0 -5,-0.1 -3,-0.2 0.655 66.3 137.7 64.7 22.1 60.8 43.0 5.0 37 50 A L G > < + 0 0 2 -5,-2.1 3,-1.7 1,-0.3 -4,-0.2 0.774 59.9 68.6 -69.9 -29.2 61.3 45.4 2.1 38 51 A H G > S+ 0 0 25 -6,-0.4 3,-1.2 1,-0.3 -1,-0.3 0.791 91.2 62.9 -57.0 -30.1 65.1 45.5 2.6 39 52 A K G < S+ 0 0 164 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.620 102.0 51.0 -68.9 -14.7 65.1 41.9 1.4 40 53 A Q G < S+ 0 0 69 -3,-1.7 2,-0.3 -4,-0.2 -1,-0.2 0.313 107.4 66.1-103.3 4.4 63.8 43.1 -2.0 41 54 A M S < S- 0 0 14 -3,-1.2 2,-0.9 -4,-0.2 -37,-0.2 -0.815 88.5-107.0-127.5 160.9 66.5 45.8 -2.3 42 55 A R E -a 4 0A 93 -39,-3.0 -37,-2.6 -2,-0.3 2,-0.5 -0.817 37.9-143.8 -89.9 106.5 70.3 45.9 -2.7 43 56 A I E -a 5 0A 77 -2,-0.9 2,-0.5 -39,-0.2 -37,-0.2 -0.587 21.0-173.3 -77.8 118.1 71.5 47.1 0.7 44 57 A V E -a 6 0A 24 -39,-2.6 -37,-2.2 -2,-0.5 65,-0.1 -0.962 20.9-133.7-118.6 125.1 74.4 49.3 0.3 45 58 A K - 0 0 132 -2,-0.5 2,-0.2 -39,-0.2 -37,-0.2 -0.577 30.3-122.6 -71.2 132.8 76.5 50.7 3.2 46 59 A P - 0 0 24 0, 0.0 59,-0.2 0, 0.0 2,-0.2 -0.552 14.0-132.0 -76.3 142.2 77.1 54.4 2.8 47 60 A K - 0 0 58 57,-0.5 2,-0.5 -2,-0.2 61,-0.2 -0.501 27.8-112.1 -76.6 159.3 80.6 55.9 2.6 48 61 A V - 0 0 102 -2,-0.2 53,-0.2 56,-0.1 2,-0.1 -0.851 37.4-109.7 -90.4 134.5 81.2 58.9 4.9 49 62 A A - 0 0 6 51,-2.3 55,-0.1 -2,-0.5 2,-0.1 -0.379 30.8-133.0 -65.7 135.7 81.8 62.1 2.8 50 63 A S > - 0 0 53 -2,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.439 25.9-104.9 -81.9 164.7 85.3 63.4 2.8 51 64 A M H > S+ 0 0 66 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.926 124.3 52.0 -50.2 -47.3 86.1 67.0 3.4 52 65 A E H 4 S+ 0 0 153 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.893 107.9 50.1 -59.4 -45.4 86.9 67.3 -0.3 53 66 A E H >4 S+ 0 0 46 1,-0.2 3,-0.9 2,-0.2 4,-0.3 0.871 112.9 45.6 -62.7 -38.6 83.5 65.7 -1.3 54 67 A M H >X S+ 0 0 1 -4,-2.2 4,-2.4 1,-0.2 3,-1.6 0.880 105.9 61.6 -72.9 -34.4 81.6 68.1 0.9 55 68 A A T 3< S+ 0 0 36 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.478 79.0 87.3 -68.8 -4.9 83.7 71.0 -0.4 56 69 A T T <4 S+ 0 0 65 -3,-0.9 -1,-0.3 -4,-0.2 -2,-0.2 0.845 118.3 1.2 -58.2 -34.3 82.3 70.1 -3.9 57 70 A F T <4 S+ 0 0 39 -3,-1.6 -2,-0.2 -4,-0.3 2,-0.1 0.712 122.0 72.8-119.4 -49.8 79.5 72.5 -2.8 58 71 A H S < S- 0 0 4 -4,-2.4 76,-0.2 1,-0.1 75,-0.1 -0.411 81.6-110.0 -76.3 146.0 80.2 73.9 0.7 59 72 A T > - 0 0 46 74,-2.3 4,-2.3 -2,-0.1 5,-0.2 -0.347 20.8-120.0 -72.2 156.0 82.9 76.5 1.3 60 73 A D H > S+ 0 0 103 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.934 113.3 51.6 -55.8 -51.8 86.1 75.7 3.2 61 74 A A H > S+ 0 0 47 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.869 111.3 46.3 -56.8 -44.3 85.3 78.3 5.9 62 75 A Y H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.914 114.4 47.1 -66.2 -44.1 81.8 76.9 6.5 63 76 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.907 111.9 50.3 -64.5 -42.7 82.9 73.3 6.7 64 77 A Q H X S+ 0 0 113 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.861 111.7 49.3 -62.9 -37.1 85.8 74.2 9.0 65 78 A H H X S+ 0 0 10 -4,-1.8 4,-2.7 -5,-0.2 5,-0.3 0.929 109.1 51.4 -65.4 -46.8 83.3 76.1 11.2 66 79 A L H X S+ 0 0 1 -4,-2.6 4,-2.5 1,-0.2 30,-0.4 0.905 111.0 49.5 -56.8 -44.9 80.9 73.1 11.2 67 80 A Q H X S+ 0 0 37 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.891 110.6 48.9 -59.6 -45.7 83.8 70.9 12.2 68 81 A K H X>S+ 0 0 48 -4,-2.1 4,-1.5 2,-0.2 5,-0.8 0.932 115.0 44.1 -62.1 -45.8 84.9 73.2 15.1 69 82 A V H X5S+ 0 0 5 -4,-2.7 4,-0.5 1,-0.2 -2,-0.2 0.908 110.2 56.3 -65.5 -42.7 81.3 73.4 16.5 70 83 A S H <5S+ 0 0 3 -4,-2.5 24,-2.3 -5,-0.3 -1,-0.2 0.790 113.4 41.7 -57.8 -33.5 80.8 69.7 16.0 71 84 A Q H <5S- 0 0 58 -4,-1.4 -2,-0.2 -3,-0.2 -3,-0.1 0.965 135.7 -4.4 -77.2 -75.9 83.8 69.0 18.2 72 85 A E H <5S+ 0 0 74 -4,-1.5 -3,-0.2 -5,-0.1 -2,-0.1 0.717 106.4 81.1 -96.8 -26.8 83.8 71.4 21.2 73 86 A G << + 0 0 26 -5,-0.8 3,-0.1 -4,-0.5 -4,-0.0 -0.105 12.5 146.5-102.9 177.5 80.9 73.8 20.9 74 87 A D S S+ 0 0 45 1,-0.6 2,-0.3 18,-0.1 17,-0.3 -0.058 97.0 0.0-160.7 -51.5 77.3 74.8 21.3 75 88 A D S S+ 0 0 96 1,-0.1 -1,-0.6 -6,-0.0 0, 0.0 -0.912 99.3 79.4-135.1 168.0 77.9 78.4 22.2 76 89 A D + 0 0 77 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 0.297 68.5 111.6 110.2 -6.1 81.1 80.3 22.5 77 90 A H > - 0 0 95 1,-0.1 3,-1.4 -3,-0.1 4,-0.4 -0.905 52.4-159.1-108.5 119.4 81.6 80.8 18.8 78 91 A P T 3 S+ 0 0 107 0, 0.0 4,-0.3 0, 0.0 3,-0.3 0.750 90.4 50.2 -54.5 -35.1 81.4 84.3 17.2 79 92 A D T 3> S+ 0 0 80 1,-0.2 4,-1.9 2,-0.1 5,-0.1 0.482 83.3 90.7 -88.6 -5.0 80.7 83.1 13.7 80 93 A S T <4>S+ 0 0 15 -3,-1.4 5,-2.2 2,-0.2 4,-0.2 0.858 83.2 51.4 -68.7 -37.8 77.8 80.6 14.3 81 94 A I T >45S+ 0 0 147 -4,-0.4 3,-1.8 -3,-0.3 -1,-0.2 0.962 113.3 46.7 -60.2 -48.1 74.8 82.9 13.9 82 95 A E T 345S+ 0 0 159 -4,-0.3 -2,-0.2 1,-0.3 -1,-0.2 0.845 107.9 57.0 -62.2 -34.0 76.2 84.1 10.6 83 96 A Y T 3<5S- 0 0 46 -4,-1.9 53,-2.9 52,-0.1 -1,-0.3 0.433 122.6-107.4 -79.8 0.2 76.8 80.5 9.6 84 97 A G T < 5S+ 0 0 13 -3,-1.8 -3,-0.2 1,-0.3 2,-0.2 0.455 70.6 141.7 95.9 3.6 73.1 79.8 10.2 85 98 A L < + 0 0 11 -5,-2.2 2,-0.3 3,-0.1 -1,-0.3 -0.509 29.4 81.0 -80.3 147.5 73.3 77.8 13.4 86 99 A G B > S-H 89 0B 34 3,-1.9 3,-1.0 -2,-0.2 51,-0.0 -0.980 90.8 -9.8 154.3-147.1 70.7 78.3 16.1 87 100 A Y T 3 S+ 0 0 233 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.1 0.865 135.9 34.7 -55.2 -49.8 67.2 77.2 16.8 88 101 A D T 3 S+ 0 0 52 1,-0.3 51,-2.3 -4,-0.1 -1,-0.3 0.456 133.9 29.9 -90.3 -0.8 66.4 75.4 13.5 89 102 A C B < S-H 86 0B 0 -3,-1.0 -3,-1.9 49,-0.2 -1,-0.3 -0.518 91.4-154.6-149.5 75.0 69.9 74.2 13.1 90 103 A P - 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0 0 64 -18,-0.4 2,-0.5 -627,-0.1 -2,-0.2 -0.376 65.3-148.6 -72.4 144.2 87.4 67.7 26.0 700 348 B I - 0 0 19 -2,-0.1 -78,-0.1 -38,-0.0 -77,-0.1 -0.952 11.8-133.4-114.8 126.3 91.0 68.8 26.9 701 349 B T - 0 0 117 -2,-0.5 2,-0.1 1,-0.1 -70,-0.1 -0.829 17.7-116.1 -77.6 128.6 92.2 72.5 26.8 702 350 B P - 0 0 46 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.143 27.2-128.0 33.9 90.6 95.1 73.7 25.5 703 351 B S - 0 0 48 -2,-0.1 -81,-0.0 1,-0.1 -73,-0.0 -0.387 22.6-113.6 -79.2 167.5 97.6 75.3 27.9 704 352 B C S S+ 0 0 140 -2,-0.1 -1,-0.1 2,-0.0 -74,-0.0 0.112 70.1 129.3 -95.8 20.9 99.1 78.8 27.2 705 353 B R - 0 0 72 1,-0.1 2,-0.1 3,-0.0 -2,-0.0 -0.436 65.0-103.4 -72.1 147.4 102.7 77.6 26.6 706 354 B P - 0 0 82 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.481 24.7-119.4 -71.9 142.0 104.4 78.8 23.4 707 355 B D - 0 0 50 -2,-0.1 -121,-0.2 1,-0.1 -122,-0.1 -0.781 26.3-166.0 -75.2 115.4 104.7 76.5 20.5 708 356 B R + 0 0 160 -123,-2.7 2,-0.6 -2,-0.7 -123,-0.1 0.388 50.6 113.1 -86.6 1.3 108.5 76.5 20.2 709 357 B N - 0 0 10 -124,-0.3 -2,-0.1 -125,-0.2 3,-0.0 -0.671 56.0-152.1 -83.1 119.2 108.4 74.9 16.7 710 358 B E > - 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