==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 30-JUL-13 4LY1 . COMPND 2 MOLECULE: HISTONE DEACETYLASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.FONG,P.J.LUPARDUS . 1101 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42599.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 732 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 121 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 1.6 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 . 9 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 . 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 . 49 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 150 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 333 30.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.2 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 3 0 3 3 0 6 0 0 5 1 0 4 2 0 0 3 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 0 6 6 6 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 PARALLEL BRIDGES PER LADDER . 9 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 3 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 12 A G 0 0 90 0, 0.0 285,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0-147.8 -11.0 -25.8 -7.3 2 13 A K - 0 0 149 1,-0.1 2,-0.3 313,-0.1 312,-0.1 -0.377 360.0-138.6 -70.5 147.9 -10.0 -24.2 -4.0 3 14 A K - 0 0 43 310,-0.4 2,-0.4 -2,-0.1 -1,-0.1 -0.805 12.8-110.0-119.4 158.6 -7.6 -26.2 -1.8 4 15 A K - 0 0 80 -2,-0.3 121,-2.2 41,-0.1 120,-1.6 -0.679 38.7-165.2 -79.2 126.8 -7.0 -27.1 1.8 5 16 A V E -a 125 0A 3 -2,-0.4 41,-1.8 39,-0.4 2,-0.4 -0.970 12.0-168.5-121.5 128.3 -3.9 -25.3 3.0 6 17 A C E -ab 126 46A 0 119,-2.5 121,-2.3 -2,-0.4 2,-0.4 -0.952 12.7-161.6-112.8 133.4 -1.9 -26.2 6.2 7 18 A Y E -ab 127 47A 2 39,-2.9 41,-3.1 -2,-0.4 2,-0.5 -0.965 4.9-148.7-124.3 136.6 0.7 -23.7 7.2 8 19 A Y E + b 0 48A 14 119,-2.9 121,-0.4 -2,-0.4 122,-0.4 -0.877 26.9 151.7-111.6 127.0 3.7 -24.2 9.6 9 20 A Y - 0 0 30 39,-2.6 2,-0.5 -2,-0.5 -2,-0.0 -0.967 27.2-160.1-155.3 137.1 5.1 -21.5 11.8 10 21 A D > - 0 0 7 -2,-0.3 3,-2.3 39,-0.2 4,-0.3 -0.985 17.8-145.1-119.0 120.3 7.0 -21.3 15.2 11 22 A G T 3 S+ 0 0 33 -2,-0.5 3,-0.4 1,-0.3 4,-0.1 0.574 97.2 65.2 -56.0 -15.4 6.9 -17.8 16.9 12 23 A D T > S+ 0 0 62 1,-0.2 3,-1.9 2,-0.1 4,-0.3 0.658 78.7 85.5 -79.6 -21.7 10.4 -18.4 18.2 13 24 A I G X S+ 0 0 3 -3,-2.3 3,-1.4 1,-0.3 -1,-0.2 0.817 79.8 60.0 -50.9 -41.0 12.0 -18.4 14.6 14 25 A G G 3 S+ 0 0 6 -3,-0.4 13,-0.3 -4,-0.3 -1,-0.3 0.586 95.6 65.3 -68.0 -12.0 12.4 -14.7 14.4 15 26 A N G < S+ 0 0 107 -3,-1.9 -1,-0.3 11,-0.1 2,-0.3 0.585 73.6 102.4 -87.3 -15.7 14.7 -14.6 17.4 16 27 A Y < - 0 0 27 -3,-1.4 2,-0.5 -4,-0.3 11,-0.3 -0.559 57.1-162.0 -72.9 133.2 17.6 -16.6 15.9 17 28 A Y - 0 0 130 81,-0.4 81,-0.2 -2,-0.3 3,-0.1 -0.976 21.5-161.7-126.7 120.1 20.4 -14.3 14.9 18 29 A Y - 0 0 11 6,-0.6 2,-0.1 -2,-0.5 -1,-0.1 0.629 59.8 -96.1 -71.9 -16.8 23.2 -15.3 12.5 19 30 A G > - 0 0 24 3,-0.2 3,-2.1 5,-0.1 -1,-0.2 -0.326 58.3 -31.3 119.7 160.4 25.3 -12.4 13.8 20 31 A Q T 3 S+ 0 0 190 1,-0.3 -3,-0.0 -2,-0.1 0, 0.0 -0.216 126.6 0.5 -52.0 126.8 26.3 -8.7 13.0 21 32 A G T 3 S+ 0 0 60 1,-0.2 -1,-0.3 2,-0.0 -2,-0.0 0.307 89.8 137.2 77.4 -7.4 26.2 -8.0 9.3 22 33 A H < - 0 0 21 -3,-2.1 -1,-0.2 1,-0.1 -4,-0.2 -0.575 51.3-142.6 -72.6 130.8 25.1 -11.5 8.2 23 34 A P S S+ 0 0 19 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.683 74.9 94.1 -69.5 -19.2 22.5 -11.1 5.5 24 35 A M - 0 0 18 -5,-0.1 -6,-0.6 1,-0.0 -5,-0.1 -0.696 53.8-178.7 -79.3 119.8 20.3 -14.0 6.6 25 36 A K > - 0 0 56 -2,-0.6 3,-2.6 271,-0.4 4,-0.2 -0.873 19.7-169.5-122.6 94.1 17.6 -12.6 9.0 26 37 A P T >> S+ 0 0 5 0, 0.0 3,-2.2 0, 0.0 4,-0.7 0.742 83.4 80.2 -56.7 -18.6 15.2 -15.3 10.4 27 38 A H H 3> S+ 0 0 33 -13,-0.3 4,-2.3 1,-0.3 3,-0.4 0.795 76.9 72.2 -53.1 -32.8 13.2 -12.2 11.6 28 39 A R H <> S+ 0 0 15 -3,-2.6 4,-2.0 1,-0.2 -1,-0.3 0.746 91.0 57.1 -56.6 -28.0 11.9 -12.1 8.0 29 40 A I H <> S+ 0 0 7 -3,-2.2 4,-2.4 -4,-0.2 -1,-0.2 0.896 107.9 46.2 -70.8 -40.0 9.8 -15.2 8.8 30 41 A R H X S+ 0 0 59 -4,-0.7 4,-2.9 -3,-0.4 -2,-0.2 0.885 111.3 51.6 -67.8 -37.8 8.1 -13.4 11.6 31 42 A M H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.920 110.7 49.6 -63.4 -42.8 7.5 -10.3 9.4 32 43 A T H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.944 113.4 45.8 -56.6 -52.7 5.9 -12.7 6.8 33 44 A H H X S+ 0 0 21 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.932 112.7 48.7 -58.1 -51.8 3.7 -14.2 9.4 34 45 A N H X S+ 0 0 23 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.883 112.0 50.0 -59.1 -38.8 2.6 -11.0 11.0 35 46 A L H X S+ 0 0 0 -4,-2.4 4,-1.2 -5,-0.2 -2,-0.2 0.962 112.3 45.2 -66.0 -50.4 1.8 -9.5 7.6 36 47 A L H <>S+ 0 0 0 -4,-2.6 5,-2.1 1,-0.2 6,-0.3 0.870 111.4 53.6 -65.3 -30.4 -0.4 -12.4 6.4 37 48 A L H ><5S+ 0 0 52 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 0.922 107.3 52.6 -64.7 -41.9 -2.1 -12.5 9.8 38 49 A N H 3<5S+ 0 0 71 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.730 103.8 55.6 -68.2 -19.4 -3.0 -8.8 9.4 39 50 A Y T 3<5S- 0 0 29 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.467 118.1-117.1 -85.4 -4.2 -4.5 -9.6 5.9 40 51 A G T X 5S+ 0 0 7 -3,-1.7 3,-1.8 -4,-0.2 4,-0.2 0.615 70.3 140.7 79.0 15.7 -6.7 -12.1 7.8 41 52 A L G > < + 0 0 1 -5,-2.1 3,-1.5 1,-0.3 4,-0.3 0.705 58.2 74.1 -64.5 -17.9 -5.3 -15.1 5.9 42 53 A Y G > S+ 0 0 108 -6,-0.3 3,-0.5 1,-0.3 -1,-0.3 0.688 84.7 68.3 -65.3 -19.7 -5.4 -17.2 9.2 43 54 A R G < S+ 0 0 186 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.712 104.3 41.2 -71.2 -20.8 -9.2 -17.4 8.7 44 55 A K G < S+ 0 0 106 -3,-1.5 -39,-0.4 -4,-0.2 2,-0.3 0.346 113.9 46.7-110.5 -1.0 -8.8 -19.6 5.6 45 56 A M S < S- 0 0 17 -3,-0.5 2,-0.5 -4,-0.3 -39,-0.2 -0.967 78.4-108.8-143.9 158.5 -6.1 -22.0 6.6 46 57 A E E -b 6 0A 84 -41,-1.8 -39,-2.9 -2,-0.3 2,-0.5 -0.771 31.5-152.0 -88.9 127.7 -5.0 -24.3 9.5 47 58 A I E -b 7 0A 71 -2,-0.5 2,-0.3 -41,-0.2 -39,-0.2 -0.914 16.8-177.9-105.9 122.8 -1.9 -22.9 11.3 48 59 A Y E -b 8 0A 75 -41,-3.1 -39,-2.6 -2,-0.5 -2,-0.0 -0.892 26.1-132.9-119.9 147.8 0.3 -25.5 13.0 49 60 A R - 0 0 157 -2,-0.3 -39,-0.2 -41,-0.2 -41,-0.1 -0.898 34.3-126.0 -96.6 121.4 3.5 -25.1 15.1 50 61 A P - 0 0 11 0, 0.0 60,-0.2 0, 0.0 2,-0.1 -0.321 18.8-118.3 -64.6 154.8 6.1 -27.5 13.8 51 62 A H - 0 0 78 58,-0.3 2,-0.9 57,-0.1 58,-0.1 -0.461 36.4 -96.1 -78.0 167.1 7.7 -30.0 16.2 52 63 A K - 0 0 79 -2,-0.1 54,-0.2 57,-0.1 53,-0.1 -0.756 45.6-125.2 -83.8 106.7 11.5 -29.8 16.7 53 64 A A - 0 0 0 52,-2.1 56,-0.1 -2,-0.9 2,-0.1 -0.240 28.6-132.3 -54.2 138.4 12.8 -32.4 14.2 54 65 A T > - 0 0 62 1,-0.1 4,-2.4 55,-0.0 5,-0.2 -0.384 21.5-102.8 -89.4 175.9 15.0 -35.0 16.0 55 66 A A H > S+ 0 0 24 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.844 123.2 57.2 -63.0 -34.2 18.4 -36.4 15.2 56 67 A E H 4 S+ 0 0 155 2,-0.2 -1,-0.2 1,-0.2 4,-0.1 0.904 108.8 46.3 -62.2 -42.6 16.6 -39.6 14.0 57 68 A E H >4 S+ 0 0 48 1,-0.2 3,-1.2 2,-0.2 -2,-0.2 0.929 113.9 46.9 -66.6 -44.2 14.7 -37.5 11.6 58 69 A M H >X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.3 3,-1.5 0.826 103.8 61.5 -70.1 -31.8 17.7 -35.6 10.3 59 70 A T T 3< S+ 0 0 44 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.362 75.8 88.8 -79.9 10.6 19.9 -38.7 9.9 60 71 A K T <4 S- 0 0 158 -3,-1.2 -1,-0.3 -4,-0.1 -2,-0.1 0.727 120.1 -0.0 -72.0 -17.8 17.4 -40.1 7.3 61 72 A Y T <4 S+ 0 0 20 -3,-1.5 -2,-0.2 -4,-0.2 -3,-0.1 0.587 122.3 72.0-129.4 -58.6 19.8 -38.0 5.0 62 73 A H S < S- 0 0 3 -4,-2.2 77,-0.2 1,-0.1 -1,-0.1 -0.280 86.5-100.9 -68.6 151.4 22.6 -36.4 7.0 63 74 A S > - 0 0 18 75,-1.7 4,-2.3 1,-0.1 5,-0.2 -0.403 24.5-121.1 -70.5 152.4 25.5 -38.4 8.5 64 75 A D H > S+ 0 0 92 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.895 113.1 54.1 -56.1 -43.1 25.5 -39.2 12.2 65 76 A E H > S+ 0 0 97 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.870 109.3 46.0 -61.5 -41.6 28.8 -37.4 12.6 66 77 A Y H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.928 114.8 46.3 -70.4 -43.3 27.5 -34.1 11.1 67 78 A I H X S+ 0 0 2 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.924 111.0 53.5 -65.4 -38.4 24.3 -34.1 13.1 68 79 A K H X S+ 0 0 108 -4,-2.9 4,-1.0 -5,-0.2 -1,-0.2 0.911 110.4 48.2 -60.2 -41.1 26.2 -34.9 16.3 69 80 A F H >X S+ 0 0 7 -4,-1.9 4,-2.6 1,-0.2 3,-0.8 0.933 110.3 49.7 -63.1 -48.3 28.5 -31.9 15.6 70 81 A L H 3< S+ 0 0 1 -4,-2.3 31,-0.3 1,-0.3 -1,-0.2 0.865 111.0 50.4 -59.9 -37.5 25.5 -29.6 14.9 71 82 A R H 3< S+ 0 0 148 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.700 118.9 39.3 -67.1 -28.9 23.9 -30.8 18.2 72 83 A S H << S+ 0 0 39 -4,-1.0 -2,-0.2 -3,-0.8 -1,-0.2 0.762 88.9 97.6 -93.9 -38.8 27.2 -30.1 20.1 73 84 A I < + 0 0 9 -4,-2.6 28,-0.3 -5,-0.1 24,-0.1 -0.403 42.8 161.4 -66.8 130.4 28.6 -26.8 18.7 74 85 A R >> - 0 0 124 -2,-0.2 3,-1.0 22,-0.1 4,-1.0 -0.966 53.1-107.5-140.6 158.5 28.0 -23.5 20.6 75 86 A P T 34 S+ 0 0 53 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.822 119.9 54.4 -57.3 -28.1 29.6 -20.0 20.6 76 87 A D T 34 S+ 0 0 113 1,-0.2 3,-0.1 2,-0.1 -3,-0.1 0.717 116.2 34.2 -76.3 -27.3 31.2 -20.9 24.0 77 88 A N T X> S+ 0 0 10 -3,-1.0 3,-1.7 1,-0.1 4,-0.5 0.332 83.6 108.7-110.7 2.8 32.9 -24.2 22.9 78 89 A M G >< S+ 0 0 77 -4,-1.0 3,-1.5 1,-0.3 7,-0.2 0.814 72.4 62.6 -44.4 -45.5 33.8 -23.1 19.3 79 90 A S G >4 S+ 0 0 100 1,-0.3 3,-0.6 -4,-0.3 -1,-0.3 0.752 102.2 50.7 -55.1 -33.2 37.5 -22.9 20.3 80 91 A E G <4 S+ 0 0 158 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.571 109.4 50.7 -83.0 -15.3 37.5 -26.6 21.0 81 92 A Y G S+ 0 0 70 -3,-0.6 4,-1.3 1,-0.2 -1,-0.1 0.857 79.8 45.0 -49.1 -41.6 38.3 -25.7 15.2 83 94 A K H > S+ 0 0 160 2,-0.2 4,-2.0 -3,-0.2 -1,-0.2 0.915 113.9 47.3 -69.3 -48.1 39.0 -28.9 13.2 84 95 A Q H > S+ 0 0 54 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.860 107.1 58.4 -62.8 -38.8 35.3 -30.1 13.1 85 96 A M H X>S+ 0 0 25 -4,-2.8 5,-2.9 2,-0.2 4,-0.5 0.908 108.8 44.8 -58.8 -42.0 34.2 -26.6 12.0 86 97 A Q H ><5S+ 0 0 152 -4,-1.3 3,-1.0 -5,-0.2 -2,-0.2 0.940 111.6 53.0 -68.9 -44.0 36.5 -26.7 8.9 87 98 A R H 3<5S+ 0 0 139 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.849 118.5 35.4 -56.0 -42.2 35.4 -30.3 8.1 88 99 A F H 3<5S- 0 0 4 -4,-2.2 53,-2.8 2,-0.1 -1,-0.2 0.329 110.7-116.4 -99.7 4.3 31.7 -29.4 8.2 89 100 A N T <<5 + 0 0 70 -3,-1.0 2,-0.4 -4,-0.5 -3,-0.2 0.870 66.1 142.1 61.4 43.1 32.1 -25.9 6.7 90 101 A V < + 0 0 9 -5,-2.9 -1,-0.2 -6,-0.2 -2,-0.1 -0.918 38.0 52.2-113.7 140.5 30.8 -24.1 9.8 91 102 A G S S+ 0 0 38 3,-2.6 5,-0.2 -2,-0.4 -1,-0.1 0.112 103.0 41.6 129.8 -22.8 32.1 -20.8 11.1 92 103 A E S S+ 0 0 162 2,-0.3 -1,-0.1 -3,-0.2 -2,-0.1 0.588 128.5 4.9-114.1 -92.0 32.1 -18.3 8.3 93 104 A D S S+ 0 0 77 1,-0.3 49,-0.1 2,-0.1 -3,-0.1 0.734 141.7 44.2 -64.7 -30.9 29.1 -18.1 5.8 94 105 A C S S- 0 0 0 -5,-0.2 -3,-2.6 47,-0.1 -1,-0.3 -0.781 95.6-169.1-116.2 75.6 27.4 -20.7 8.1 95 106 A P - 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