==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-MAR-09 3GV4 . COMPND 2 MOLECULE: HISTONE DEACETYLASE 6; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.DONG,M.RAVICHANDRAN,P.LOPPNAU,Y.LI,F.MACKENZIE, . 103 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5561.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 52 50.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 3.9 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 . 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 . 2 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 19.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.9 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 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 3 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 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 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 P 0 0 139 0, 0.0 81,-0.2 0, 0.0 79,-0.0 0.000 360.0 360.0 360.0 147.1 -10.9 -3.9 6.7 2 2 A L B -a 82 0A 56 79,-3.0 81,-2.9 1,-0.1 3,-0.1 -0.900 360.0-158.6-111.1 135.0 -14.5 -5.1 6.7 3 3 A P S S- 0 0 89 0, 0.0 2,-0.3 0, 0.0 79,-0.1 0.356 86.6 -0.1 -84.9 4.1 -15.7 -8.7 6.2 4 4 A W - 0 0 150 80,-0.1 80,-0.1 4,-0.0 79,-0.0 -0.885 65.1-163.1-177.7 152.7 -19.2 -7.4 5.2 5 5 A C > - 0 0 1 -2,-0.3 3,-1.5 -3,-0.1 4,-0.2 -0.985 32.8-117.5-146.4 157.5 -20.9 -4.0 4.7 6 6 A P T 3 S+ 0 0 75 0, 0.0 3,-0.3 0, 0.0 4,-0.0 0.538 109.6 64.3 -68.9 -4.7 -24.5 -2.9 4.5 7 7 A H T > + 0 0 51 1,-0.2 3,-2.0 2,-0.1 4,-0.2 0.459 69.5 93.8 -99.7 -1.4 -23.9 -1.6 0.9 8 8 A L G X S+ 0 0 19 -3,-1.5 3,-1.8 1,-0.3 -1,-0.2 0.801 72.7 73.0 -58.6 -29.0 -23.1 -5.0 -0.7 9 9 A V G 3 S+ 0 0 134 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.765 88.8 62.1 -51.2 -29.1 -26.8 -5.0 -1.6 10 10 A A G < S+ 0 0 32 -3,-2.0 2,-0.3 2,-0.1 -1,-0.3 0.588 75.1 111.0 -77.2 -14.1 -25.9 -2.4 -4.3 11 11 A V < - 0 0 39 -3,-1.8 28,-0.2 -4,-0.2 3,-0.1 -0.510 56.3-157.0 -66.5 124.8 -23.5 -4.7 -6.2 12 12 A C - 0 0 58 26,-2.8 -2,-0.1 -2,-0.3 28,-0.0 -0.602 29.6 -75.0-102.6 162.1 -25.1 -5.5 -9.6 13 13 A P - 0 0 117 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.214 54.4-100.3 -57.0 143.5 -24.4 -8.5 -11.9 14 14 A I - 0 0 51 1,-0.1 5,-0.1 -3,-0.1 24,-0.0 -0.417 50.8 -95.9 -59.1 134.7 -21.1 -8.5 -13.8 15 15 A P > - 0 0 49 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.278 25.7-125.7 -53.1 140.4 -21.9 -7.4 -17.4 16 16 A A T 3 S+ 0 0 117 1,-0.3 3,-0.1 -3,-0.1 -2,-0.1 0.845 113.2 59.9 -57.6 -33.4 -22.3 -10.4 -19.8 17 17 A A T 3 S- 0 0 105 1,-0.2 -1,-0.3 0, 0.0 2,-0.1 0.613 107.1-140.5 -67.8 -15.3 -19.6 -8.8 -21.9 18 18 A G < - 0 0 29 -3,-2.0 2,-0.3 2,-0.0 -1,-0.2 -0.351 26.6 -52.6 83.3-165.2 -17.2 -9.0 -19.0 19 19 A L - 0 0 17 74,-0.2 2,-0.5 -3,-0.1 -5,-0.0 -0.783 28.6-151.9-115.6 155.2 -14.6 -6.6 -17.8 20 20 A D > - 0 0 68 -2,-0.3 3,-2.0 1,-0.1 74,-0.1 -0.891 7.1-170.6-125.7 98.5 -11.7 -4.7 -19.4 21 21 A V T 3 S+ 0 0 17 -2,-0.5 13,-0.2 1,-0.3 -1,-0.1 0.604 86.7 55.2 -68.6 -12.3 -9.0 -4.0 -16.8 22 22 A T T 3 S+ 0 0 95 2,-0.0 -1,-0.3 0, 0.0 76,-0.0 0.313 77.1 132.5 -99.6 7.5 -7.1 -1.7 -19.3 23 23 A Q < - 0 0 72 -3,-2.0 3,-0.1 1,-0.1 11,-0.1 -0.361 57.9-119.9 -60.0 131.5 -10.2 0.5 -19.9 24 24 A P - 0 0 66 0, 0.0 7,-0.2 0, 0.0 19,-0.2 -0.269 37.0 -83.1 -66.4 157.6 -9.3 4.2 -19.8 25 25 A C > - 0 0 4 5,-2.1 4,-1.6 1,-0.1 19,-0.3 -0.469 36.2-131.9 -58.3 130.5 -10.9 6.7 -17.3 26 26 A G T 4 S+ 0 0 59 17,-2.5 -1,-0.1 -2,-0.2 18,-0.1 0.667 101.6 35.1 -61.8 -17.3 -14.3 7.8 -18.8 27 27 A D T 4 S+ 0 0 81 16,-0.1 -1,-0.2 3,-0.1 17,-0.1 0.851 133.4 16.2-103.7 -46.6 -13.4 11.4 -18.0 28 28 A C T 4 S- 0 0 50 2,-0.1 -2,-0.1 0, 0.0 16,-0.1 0.529 88.7-129.4-110.6 -8.7 -9.7 12.0 -18.4 29 29 A G < + 0 0 44 -4,-1.6 -3,-0.1 1,-0.2 2,-0.1 0.563 53.3 149.9 74.7 9.2 -8.7 8.9 -20.5 30 30 A T - 0 0 29 -6,-0.1 -5,-2.1 1,-0.1 -1,-0.2 -0.362 38.5-159.9 -74.1 157.5 -5.8 7.9 -18.2 31 31 A I + 0 0 96 -7,-0.2 3,-0.3 -2,-0.1 -1,-0.1 0.288 63.0 99.1-112.9 6.9 -4.7 4.3 -17.7 32 32 A Q S S- 0 0 120 1,-0.2 2,-0.2 14,-0.0 -1,-0.1 0.931 97.6 -8.7 -71.1 -59.9 -2.8 4.7 -14.4 33 33 A E S S+ 0 0 82 13,-0.1 13,-2.6 2,-0.0 -1,-0.2 -0.668 79.0 173.0-143.4 79.1 -5.0 3.6 -11.4 34 34 A N E -B 45 0B 6 -3,-0.3 34,-2.8 11,-0.2 35,-0.4 -0.598 14.4-160.0 -94.9 155.8 -8.5 3.0 -12.6 35 35 A W E -BC 44 67B 13 9,-2.9 9,-2.0 32,-0.2 2,-0.4 -0.885 11.3-137.4-125.1 155.4 -11.5 1.6 -10.7 36 36 A V E -BC 43 66B 0 30,-2.6 30,-3.0 -2,-0.3 2,-0.4 -0.963 21.8-122.8-115.6 135.7 -14.7 -0.0 -11.9 37 37 A C E > - C 0 65B 0 5,-2.6 4,-1.9 -2,-0.4 28,-0.2 -0.625 11.4-149.0 -78.1 127.1 -18.1 0.8 -10.3 38 38 A L T 4 S+ 0 0 0 26,-2.5 -26,-2.8 -2,-0.4 -1,-0.1 0.491 94.3 47.0 -79.5 0.2 -19.8 -2.4 -9.0 39 39 A S T 4 S+ 0 0 18 25,-0.3 -1,-0.2 -28,-0.2 26,-0.1 0.847 132.6 9.4 -98.7 -54.2 -23.2 -0.9 -9.6 40 40 A C T 4 S- 0 0 43 2,-0.1 -2,-0.2 -28,-0.0 -29,-0.0 0.540 88.5-131.8-107.5 -12.6 -23.0 0.6 -13.1 41 41 A Y < + 0 0 27 -4,-1.9 2,-0.2 1,-0.2 -3,-0.1 0.646 52.8 147.3 66.3 21.2 -19.6 -0.8 -14.3 42 42 A Q - 0 0 87 -6,-0.0 -5,-2.6 11,-0.0 2,-0.5 -0.527 43.8-130.2 -75.6 153.3 -18.3 2.5 -15.6 43 43 A V E +B 36 0B 3 -7,-0.2 -17,-2.5 -19,-0.2 2,-0.3 -0.941 34.0 160.9-117.3 127.7 -14.6 2.9 -15.2 44 44 A Y E -B 35 0B 35 -9,-2.0 -9,-2.9 -2,-0.5 -19,-0.1 -0.977 38.6 -93.8-144.7 156.6 -12.9 6.0 -13.7 45 45 A C E -B 34 0B 0 -2,-0.3 8,-2.6 -11,-0.2 9,-0.4 -0.213 43.6-101.3 -74.9 158.0 -9.6 6.9 -12.2 46 46 A G > > - 0 0 0 -13,-2.6 5,-2.4 6,-0.2 3,-1.7 -0.154 33.5-101.0 -76.3 174.0 -8.7 6.8 -8.5 47 47 A R T 3 5S+ 0 0 87 1,-0.3 -1,-0.1 4,-0.2 56,-0.1 0.570 120.7 58.0 -77.2 -10.6 -8.5 9.7 -6.0 48 48 A Y T 3 5S+ 0 0 132 -15,-0.1 -1,-0.3 54,-0.1 -2,-0.0 0.383 113.7 40.5 -94.4 -3.3 -4.7 9.8 -6.2 49 49 A I T < 5S- 0 0 33 -3,-1.7 -2,-0.1 -16,-0.2 -15,-0.1 0.553 140.9 -40.8-102.6-100.3 -4.9 10.4 -10.0 50 50 A N T 5S- 0 0 91 -4,-0.5 -3,-0.2 -20,-0.0 -4,-0.1 0.294 71.3-123.3-118.0 6.4 -7.7 12.8 -11.0 51 51 A G >< + 0 0 14 -5,-2.4 4,-2.0 1,-0.1 -4,-0.2 0.747 60.7 142.6 65.8 27.3 -10.5 11.6 -8.6 52 52 A H H > S+ 0 0 31 -6,-0.4 4,-2.3 2,-0.2 -6,-0.2 0.831 70.1 52.8 -75.2 -28.1 -13.1 10.8 -11.3 53 53 A M H > S+ 0 0 0 -8,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.907 109.7 50.5 -67.6 -39.9 -14.4 7.7 -9.5 54 54 A L H > S+ 0 0 65 -9,-0.4 4,-2.4 50,-0.3 -2,-0.2 0.919 110.0 50.2 -59.4 -43.5 -14.9 9.9 -6.4 55 55 A Q H X S+ 0 0 93 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.902 109.2 51.8 -57.5 -45.0 -16.7 12.4 -8.7 56 56 A H H X S+ 0 0 17 -4,-2.3 4,-2.6 2,-0.2 5,-0.4 0.904 107.9 51.2 -59.7 -44.8 -18.8 9.4 -10.0 57 57 A H H X S+ 0 0 32 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.920 109.9 50.8 -55.7 -47.1 -19.7 8.5 -6.4 58 58 A G H < S+ 0 0 62 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.859 116.2 40.7 -59.8 -37.9 -20.7 12.1 -5.7 59 59 A N H < S+ 0 0 133 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.818 130.3 23.6 -80.5 -32.9 -23.0 12.2 -8.8 60 60 A S H < S- 0 0 45 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.682 86.3-132.6-107.3 -29.1 -24.5 8.7 -8.5 61 61 A G < + 0 0 26 -4,-2.8 -4,-0.2 -5,-0.4 -3,-0.1 0.421 48.1 158.2 77.2 1.8 -24.3 7.7 -4.9 62 62 A H - 0 0 56 -6,-0.4 -1,-0.3 1,-0.1 14,-0.1 -0.380 25.9-161.1 -60.6 129.0 -22.9 4.2 -6.0 63 63 A P + 0 0 7 0, 0.0 13,-2.8 0, 0.0 2,-0.4 0.841 57.1 57.2 -89.0 -35.7 -21.1 2.9 -2.9 64 64 A L E + D 0 75B 1 11,-0.2 -26,-2.5 -57,-0.2 -25,-0.3 -0.869 53.2 174.9-116.2 131.5 -18.7 0.1 -4.0 65 65 A V E -CD 37 74B 1 9,-2.1 9,-2.5 -2,-0.4 2,-0.4 -0.949 19.4-139.0-135.1 149.0 -15.8 0.2 -6.4 66 66 A L E -CD 36 73B 0 -30,-3.0 -30,-2.6 -2,-0.3 2,-0.3 -0.932 17.5-126.9-115.1 132.0 -13.2 -2.2 -7.5 67 67 A S E > -C 35 0B 4 5,-2.9 4,-1.5 -2,-0.4 -32,-0.2 -0.543 5.5-157.8 -77.4 131.1 -9.5 -1.4 -8.2 68 68 A Y T 4 S+ 0 0 7 -34,-2.8 -33,-0.1 -2,-0.3 -1,-0.1 0.580 92.3 56.7 -81.2 -7.5 -8.0 -2.5 -11.5 69 69 A I T 4 S- 0 0 90 -35,-0.4 -1,-0.2 3,-0.1 -34,-0.1 0.918 131.1 -1.4 -84.3 -53.9 -4.5 -2.4 -9.9 70 70 A D T 4 S- 0 0 97 2,-0.1 -2,-0.2 0, 0.0 -1,-0.0 0.294 90.0-116.6-128.1 10.9 -4.9 -4.7 -6.9 71 71 A L < + 0 0 32 -4,-1.5 2,-0.3 1,-0.2 -3,-0.1 0.736 60.8 150.6 60.6 28.4 -8.5 -6.0 -7.0 72 72 A S - 0 0 31 11,-0.0 -5,-2.9 9,-0.0 2,-0.5 -0.698 39.1-139.5 -85.5 141.9 -9.4 -4.3 -3.6 73 73 A A E -D 66 0B 2 9,-0.5 9,-2.6 -2,-0.3 2,-0.4 -0.924 16.5-162.7-109.0 126.4 -13.0 -3.2 -3.2 74 74 A W E -DE 65 81B 8 -9,-2.5 -9,-2.1 -2,-0.5 2,-0.6 -0.885 10.6-151.2-110.4 134.6 -13.7 0.1 -1.5 75 75 A C E >> -DE 64 80B 0 5,-2.8 4,-1.7 -2,-0.4 5,-1.3 -0.929 4.5-158.2-102.8 119.0 -16.9 1.3 0.1 76 76 A Y T 45S+ 0 0 17 -13,-2.8 -1,-0.1 -2,-0.6 -12,-0.1 0.837 92.0 44.6 -62.3 -37.1 -17.2 5.1 -0.1 77 77 A Y T 45S+ 0 0 113 -14,-0.2 -1,-0.2 1,-0.2 -13,-0.1 0.902 118.2 40.7 -76.6 -43.6 -19.8 5.2 2.8 78 78 A C T 45S- 0 0 40 2,-0.2 -2,-0.2 -15,-0.1 -1,-0.2 0.706 99.6-142.2 -75.1 -16.2 -18.1 2.7 5.1 79 79 A Q T <5 + 0 0 120 -4,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.934 64.2 96.9 54.3 50.4 -14.8 4.4 4.1 80 80 A A E - 0 0 75 -2,-0.4 3,-2.5 -80,-0.1 4,-0.2 -0.966 60.8-108.1-163.5 149.8 -16.8 -10.8 1.1 85 85 A Q G > S+ 0 0 152 -2,-0.3 3,-1.2 1,-0.3 4,-0.4 0.708 112.5 73.3 -60.9 -18.5 -17.7 -13.9 -0.9 86 86 A A G 3 S+ 0 0 59 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.699 98.4 48.7 -61.6 -21.0 -20.3 -11.8 -2.8 87 87 A L G <> S+ 0 0 0 -3,-2.5 4,-2.2 1,-0.1 5,-0.3 0.390 83.7 96.5 -98.5 -1.1 -17.2 -10.1 -4.5 88 88 A L H <> S+ 0 0 64 -3,-1.2 4,-2.3 -4,-0.2 5,-0.2 0.934 84.2 46.4 -56.5 -48.5 -15.6 -13.5 -5.4 89 89 A D H > S+ 0 0 104 -4,-0.4 4,-2.8 2,-0.2 5,-0.2 0.929 112.1 47.4 -63.6 -49.5 -16.9 -13.6 -9.0 90 90 A V H > S+ 0 0 5 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.912 113.2 49.2 -62.4 -41.2 -16.2 -10.0 -10.0 91 91 A K H X S+ 0 0 48 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.894 112.3 48.7 -65.8 -39.0 -12.6 -10.2 -8.7 92 92 A N H X S+ 0 0 82 -4,-2.3 4,-2.7 -5,-0.3 -2,-0.2 0.924 110.8 49.9 -64.4 -43.3 -12.1 -13.5 -10.5 93 93 A I H X S+ 0 0 73 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.911 113.7 46.0 -62.1 -43.4 -13.4 -12.1 -13.8 94 94 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.936 113.0 50.2 -61.7 -48.0 -11.1 -9.0 -13.4 95 95 A H H X S+ 0 0 100 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.899 109.4 51.0 -57.3 -44.4 -8.2 -11.2 -12.5 96 96 A Q H < S+ 0 0 117 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.883 112.4 45.8 -65.3 -39.1 -8.8 -13.5 -15.6 97 97 A N H < S+ 0 0 77 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.855 113.8 50.3 -68.7 -35.6 -8.9 -10.5 -17.9 98 98 A K H < 0 0 92 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.879 360.0 360.0 -71.0 -39.4 -5.8 -9.0 -16.3 99 99 A F < 0 0 118 -4,-2.4 -3,-0.2 -5,-0.2 -4,-0.1 0.613 360.0 360.0-114.5 360.0 -3.7 -12.1 -16.6 100 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 101 73 H L 0 0 169 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 7.6 -4.1 3.8 0.4 102 74 H R - 0 0 110 1,-0.1 -55,-0.2 -22,-0.0 -54,-0.1 -0.739 360.0-127.1 -71.5 133.8 -7.6 5.3 0.8 103 75 H G 0 0 0 -2,-0.4 -30,-0.1 1,-0.2 -37,-0.1 -0.322 360.0 360.0 -80.5 168.6 -9.6 3.4 -1.9 104 76 H G 0 0 1 -39,-0.1 -50,-0.3 -2,-0.1 -1,-0.2 0.649 360.0 360.0 80.7 360.0 -11.8 4.9 -4.6