==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-MAR-08 2VQW . COMPND 2 MOLECULE: HISTONE DEACETYLASE 4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.J.BOTTOMLEY,P.LO SURDO,P.DI GIOVINE,A.CIRILLO,R.SCARPELLI, . 382 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14860.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 262 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 1.8 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 0.3 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 . 28 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.3 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 1 1 0 1 3 0 1 1 1 1 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 1 3 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 PARALLEL BRIDGES PER LADDER . 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 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 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 7 G R 0 0 188 0, 0.0 2,-0.7 0, 0.0 46,-0.1 0.000 360.0 360.0 360.0 109.7 55.2 -10.5 -30.9 2 8 G F + 0 0 135 122,-0.1 2,-0.2 123,-0.1 122,-0.2 -0.398 360.0 101.8 -64.3 100.5 58.2 -9.1 -29.0 3 9 G T S S- 0 0 16 -2,-0.7 122,-2.5 120,-0.3 123,-0.8 -0.743 75.2 -43.6-154.7-163.1 57.2 -9.0 -25.4 4 10 G T E -a 126 0A 0 -2,-0.2 43,-1.6 41,-0.2 123,-0.3 -0.741 57.0-146.5 -84.4 127.4 57.4 -10.6 -21.9 5 11 G G E -ab 127 47A 0 121,-2.8 123,-2.2 -2,-0.5 2,-0.3 -0.547 11.7-163.3 -95.8 158.8 57.1 -14.4 -22.0 6 12 G L E -ab 128 48A 0 41,-1.7 43,-2.0 121,-0.2 2,-0.4 -0.989 4.2-160.5-137.1 146.4 55.6 -16.9 -19.5 7 13 G V E +ab 129 49A 0 121,-1.0 123,-1.7 -2,-0.3 2,-0.3 -0.998 21.2 152.1-126.1 137.8 55.8 -20.6 -19.0 8 14 G Y - 0 0 29 41,-0.5 43,-0.4 -2,-0.4 2,-0.3 -0.959 14.4-176.7-149.2 159.1 53.3 -22.8 -17.0 9 15 G D > - 0 0 31 -2,-0.3 3,-1.2 121,-0.2 4,-0.2 -0.861 24.1-147.4-161.0 130.0 52.2 -26.4 -17.2 10 16 G T G > S+ 0 0 93 -2,-0.3 3,-1.9 1,-0.2 4,-0.4 0.740 94.0 76.1 -70.1 -22.4 49.6 -28.2 -15.1 11 17 G L G > S+ 0 0 106 1,-0.3 3,-1.0 2,-0.2 4,-0.3 0.753 84.9 64.8 -58.4 -26.6 51.6 -31.4 -15.3 12 18 G M G X S+ 0 0 0 -3,-1.2 3,-0.9 1,-0.2 -1,-0.3 0.725 88.4 68.3 -68.2 -23.1 53.9 -29.8 -12.6 13 19 G L G < S+ 0 0 27 -3,-1.9 -1,-0.2 -4,-0.2 14,-0.2 0.729 85.3 71.5 -66.4 -23.1 50.9 -29.9 -10.2 14 20 G K G < S+ 0 0 36 -3,-1.0 2,-1.6 -4,-0.4 -1,-0.2 0.750 70.4 94.9 -67.2 -27.4 51.2 -33.7 -10.2 15 21 G H < + 0 0 2 -3,-0.9 2,-0.3 -4,-0.3 -1,-0.1 -0.528 60.0 133.1 -66.9 87.9 54.4 -33.6 -8.1 16 22 G Q - 0 0 96 -2,-1.6 84,-0.2 10,-0.1 10,-0.1 -0.954 63.1 -86.6-139.1 156.0 52.8 -34.1 -4.8 17 23 G C - 0 0 19 -2,-0.3 80,-0.1 1,-0.1 72,-0.1 -0.343 38.8-116.7 -64.2 145.1 53.4 -36.2 -1.7 18 24 G T 0 0 83 1,-0.3 -1,-0.1 78,-0.3 79,-0.0 0.656 360.0 360.0 -61.6 -17.7 51.8 -39.7 -1.8 19 25 G C 0 0 87 69,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.286 360.0 360.0 -85.1 360.0 49.7 -38.6 1.2 20 ! 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 21 29 G S 0 0 134 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -96.8 49.8 -30.4 3.9 22 30 G S + 0 0 87 63,-0.0 63,-0.0 1,-0.0 0, 0.0 -0.035 360.0 95.2-106.0 25.2 52.9 -30.4 6.1 23 31 G H - 0 0 23 1,-0.1 -6,-0.1 -6,-0.0 71,-0.0 -0.959 59.6-162.5-123.6 110.7 54.9 -29.5 3.0 24 32 G P S S+ 0 0 41 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 0.813 86.0 64.8 -59.7 -32.6 55.7 -25.8 2.3 25 33 G E S S+ 0 0 9 4,-0.0 2,-0.2 3,-0.0 285,-0.1 -0.812 76.9 140.1 -97.0 97.6 56.5 -26.7 -1.3 26 34 G H > - 0 0 60 -2,-0.9 3,-1.1 284,-0.1 4,-0.4 -0.747 64.3 -93.4-132.5 177.6 53.2 -28.0 -2.8 27 35 G A T >> S+ 0 0 9 1,-0.2 4,-1.3 -2,-0.2 3,-1.0 0.912 111.7 67.4 -59.3 -48.3 51.1 -27.8 -6.0 28 36 G G H 3> S+ 0 0 13 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.476 85.6 75.9 -58.2 -4.4 48.9 -24.8 -5.0 29 37 G R H <> S+ 0 0 0 -3,-1.1 4,-1.2 2,-0.2 -1,-0.2 0.970 104.1 30.7 -69.1 -58.2 52.0 -22.6 -5.2 30 38 G I H <> S+ 0 0 0 -3,-1.0 4,-2.0 -4,-0.4 -2,-0.2 0.822 119.3 57.8 -71.0 -32.3 52.2 -22.3 -9.0 31 39 G Q H X S+ 0 0 103 -4,-1.3 4,-2.4 2,-0.2 5,-0.2 0.967 107.0 44.1 -62.3 -57.2 48.4 -22.7 -9.4 32 40 G S H X S+ 0 0 28 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.791 113.3 53.4 -61.6 -30.9 47.5 -19.6 -7.2 33 41 G I H X S+ 0 0 0 -4,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.880 109.7 48.5 -66.4 -40.4 50.3 -17.6 -9.0 34 42 G W H X S+ 0 0 38 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.864 111.0 49.3 -70.2 -37.4 48.7 -18.6 -12.3 35 43 G S H X S+ 0 0 54 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.887 109.8 52.7 -65.8 -40.6 45.2 -17.6 -11.2 36 44 G R H X S+ 0 0 44 -4,-1.8 4,-2.3 1,-0.2 6,-0.2 0.894 105.9 53.1 -61.6 -43.3 46.6 -14.3 -10.0 37 45 G L H X>S+ 0 0 0 -4,-1.9 6,-1.5 1,-0.2 5,-1.1 0.867 114.2 42.1 -61.4 -38.0 48.2 -13.5 -13.3 38 46 G Q H <5S+ 0 0 113 -4,-1.4 -2,-0.2 4,-0.2 -1,-0.2 0.887 111.3 54.6 -76.5 -41.9 44.9 -14.1 -15.1 39 47 G E H <5S+ 0 0 154 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.878 113.7 42.0 -58.4 -41.5 42.8 -12.3 -12.5 40 48 G T H <5S- 0 0 57 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.656 114.9-123.7 -78.9 -17.7 45.0 -9.2 -12.9 41 49 G G T ><5S+ 0 0 37 -4,-0.6 3,-0.6 -5,-0.2 4,-0.4 0.362 76.8 121.8 95.2 -2.4 45.0 -9.8 -16.7 42 50 G L T 3>< + 0 0 17 -5,-1.1 4,-1.0 1,-0.3 3,-0.3 0.719 69.9 59.6 -68.5 -24.5 48.8 -10.0 -17.2 43 51 G R T 34 S+ 0 0 10 -6,-1.5 -1,-0.3 1,-0.2 3,-0.2 0.860 104.4 52.4 -66.7 -36.5 48.6 -13.5 -18.6 44 52 G G T <4 S+ 0 0 77 -3,-0.6 -2,-0.2 -7,-0.3 -1,-0.2 0.575 111.3 46.6 -73.8 -12.6 46.4 -12.0 -21.3 45 53 G K T 4 S+ 0 0 38 -4,-0.4 2,-0.2 -3,-0.3 -1,-0.2 0.581 105.6 72.2-101.6 -17.1 49.1 -9.3 -22.0 46 54 G C S < S- 0 0 8 -4,-1.0 2,-0.6 -3,-0.2 -41,-0.2 -0.645 84.8-113.1-100.0 156.4 52.0 -11.8 -22.1 47 55 G E E -b 5 0A 68 -43,-1.6 -41,-1.7 -2,-0.2 2,-0.3 -0.795 32.1-143.5 -88.5 122.8 52.9 -14.4 -24.7 48 56 G C E -b 6 0A 76 -2,-0.6 2,-0.4 -43,-0.2 -41,-0.2 -0.670 12.4-161.1 -88.9 141.7 52.5 -17.9 -23.4 49 57 G I E -b 7 0A 18 -43,-2.0 -41,-0.5 -2,-0.3 2,-0.2 -0.984 16.7-127.6-126.7 129.1 55.0 -20.7 -24.4 50 58 G R - 0 0 229 -2,-0.4 2,-0.1 -43,-0.1 -41,-0.1 -0.531 30.9-147.5 -68.7 137.9 54.5 -24.4 -24.2 51 59 G G - 0 0 21 -43,-0.4 2,-0.3 -2,-0.2 60,-0.1 -0.416 7.2-148.8-101.7 178.9 57.3 -26.2 -22.4 52 60 G R - 0 0 73 55,-0.3 59,-0.2 -2,-0.1 2,-0.2 -0.931 28.6 -92.4-141.3 160.9 58.9 -29.6 -22.6 53 61 G K - 0 0 98 -2,-0.3 2,-0.3 57,-0.2 54,-0.3 -0.579 50.0-112.4 -68.4 141.7 60.6 -32.3 -20.5 54 62 G A - 0 0 0 52,-1.7 -1,-0.1 -2,-0.2 55,-0.1 -0.633 30.5-117.2 -77.8 133.0 64.4 -31.7 -20.4 55 63 G T >> - 0 0 55 -2,-0.3 4,-1.7 1,-0.1 3,-0.6 -0.370 24.3-114.1 -65.3 150.2 66.4 -34.4 -22.1 56 64 G L H 3> S+ 0 0 43 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.834 116.1 55.4 -54.7 -36.8 68.7 -36.4 -19.8 57 65 G E H 34 S+ 0 0 140 2,-0.2 -1,-0.2 1,-0.2 4,-0.1 0.837 103.7 54.4 -69.4 -33.2 71.8 -35.0 -21.6 58 66 G E H X4 S+ 0 0 8 -3,-0.6 3,-1.4 1,-0.2 4,-0.2 0.931 109.2 48.1 -60.7 -47.0 70.7 -31.4 -21.0 59 67 G L H >X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.3 3,-1.5 0.784 99.7 68.7 -63.3 -29.2 70.5 -32.2 -17.2 60 68 G Q T 3< S+ 0 0 68 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.402 80.0 77.2 -76.9 2.4 73.9 -33.8 -17.3 61 69 G T T <4 S+ 0 0 32 -3,-1.4 -1,-0.3 3,-0.1 -2,-0.2 0.716 115.5 17.0 -78.2 -23.6 75.5 -30.4 -17.9 62 70 G V T <4 S+ 0 0 15 -3,-1.5 2,-0.2 -4,-0.2 -2,-0.2 0.691 125.4 53.0-113.4 -36.7 75.0 -29.7 -14.2 63 71 G H S < S- 0 0 5 -4,-2.3 78,-0.2 1,-0.1 77,-0.1 -0.668 84.2 -97.9-111.0 158.9 74.4 -33.1 -12.6 64 72 G S > - 0 0 29 76,-2.2 4,-2.2 -2,-0.2 5,-0.2 -0.307 34.0-114.9 -68.7 153.9 76.1 -36.5 -12.6 65 73 G E H > S+ 0 0 130 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.934 117.0 49.8 -53.5 -51.4 75.0 -39.3 -14.9 66 74 G A H > S+ 0 0 66 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.864 110.4 50.5 -56.8 -41.8 73.9 -41.4 -11.9 67 75 G H H > S+ 0 0 5 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.897 109.6 50.4 -63.1 -43.2 71.9 -38.5 -10.4 68 76 G T H X S+ 0 0 0 -4,-2.2 4,-0.9 1,-0.2 5,-0.3 0.898 113.0 45.9 -64.8 -43.4 70.1 -37.8 -13.7 69 77 G L H X S+ 0 0 85 -4,-2.3 4,-1.5 3,-0.2 3,-0.3 0.913 111.9 52.8 -62.3 -44.4 69.2 -41.5 -14.1 70 78 G L H < S+ 0 0 71 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.892 125.4 20.0 -64.5 -45.2 68.0 -41.8 -10.5 71 79 G Y H < S+ 0 0 10 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.253 126.1 52.1-112.5 11.4 65.6 -38.8 -10.4 72 80 G G H < S+ 0 0 1 -4,-0.9 2,-0.3 -3,-0.3 -3,-0.2 0.698 95.7 65.3-113.7 -31.7 65.0 -38.4 -14.2 73 81 G T < - 0 0 44 -4,-1.5 29,-0.1 -5,-0.3 -1,-0.1 -0.740 52.6-160.2-104.1 143.8 63.9 -41.8 -15.5 74 82 G N + 0 0 93 -2,-0.3 -4,-0.0 2,-0.1 -3,-0.0 -0.915 32.8 177.6-117.0 102.1 60.9 -44.0 -14.9 75 83 G P 0 0 100 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.412 360.0 360.0 -87.9-149.6 61.9 -47.5 -15.9 76 84 G L 0 0 226 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 -0.028 360.0 360.0 50.0 360.0 60.5 -51.1 -16.0 77 ! 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 78 100 G S 0 0 142 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -82.1 66.0 -47.9 -2.8 79 101 G V + 0 0 66 2,-0.1 2,-0.1 0, 0.0 10,-0.0 0.281 360.0 113.9 -84.6 7.5 67.5 -44.5 -1.9 80 102 G F - 0 0 69 1,-0.0 2,-0.3 8,-0.0 10,-0.2 -0.403 51.0-156.5 -91.8 161.7 64.1 -43.6 -0.7 81 103 G V E -H 89 0B 68 8,-2.8 8,-2.1 10,-0.1 2,-0.5 -0.857 19.8-114.4-134.8 155.8 62.8 -42.9 2.8 82 104 G R E -H 88 0B 161 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.886 34.4-142.9 -97.0 127.9 59.6 -42.9 4.8 83 105 G L > - 0 0 13 4,-2.9 3,-1.1 -2,-0.5 9,-0.1 -0.291 24.5-110.7 -81.8 166.2 58.5 -39.5 6.0 84 106 G P T 3 S+ 0 0 133 0, 0.0 -1,-0.1 0, 0.0 8,-0.0 0.502 120.7 55.8 -74.1 -2.0 56.8 -38.5 9.3 85 107 G C T 3 S- 0 0 43 2,-0.1 3,-0.1 -63,-0.0 -3,-0.0 0.421 122.3-104.7-104.4 -4.2 53.7 -37.9 7.3 86 108 G G S < S+ 0 0 43 -3,-1.1 -68,-0.0 1,-0.3 0, 0.0 0.127 82.7 117.5 102.2 -19.1 53.6 -41.4 5.8 87 109 G G - 0 0 0 1,-0.1 -4,-2.9 -5,-0.1 2,-0.3 -0.119 68.7 -98.6 -77.8 173.8 54.8 -40.4 2.3 88 110 G V E +H 82 0B 35 8,-0.3 8,-2.0 -6,-0.2 2,-0.3 -0.745 48.1 160.5 -92.6 140.1 57.9 -41.3 0.3 89 111 G G E -HI 81 95B 0 -8,-2.1 -8,-2.8 -2,-0.3 6,-0.2 -0.873 46.1-138.3-144.9 179.2 60.9 -38.9 0.3 90 112 G V S S+ 0 0 25 4,-2.1 2,-0.2 -2,-0.3 5,-0.1 0.294 96.5 16.7-116.7 2.2 64.7 -38.7 -0.5 91 113 G D S S- 0 0 50 3,-0.8 -10,-0.1 -10,-0.1 53,-0.1 -0.823 88.8 -99.5-157.4 175.2 65.2 -36.5 2.6 92 114 G S S S+ 0 0 97 -2,-0.2 3,-0.1 -3,-0.1 0, 0.0 0.616 125.1 32.7 -82.0 -14.4 63.3 -35.6 5.7 93 115 G D S S+ 0 0 80 1,-0.1 2,-0.6 2,-0.1 -1,-0.1 0.807 107.5 66.9-103.5 -45.6 62.3 -32.4 3.9 94 116 G T - 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