==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-MAY-03 1PEG . COMPND 2 MOLECULE: HISTONE H3 METHYLTRANSFERASE DIM-5; . SOURCE 2 ORGANISM_SCIENTIFIC: NEUROSPORA CRASSA; . AUTHOR X.ZHANG,Z.YANG,S.I.KHAN,J.R.HORTON,H.TAMARU,E.U.SELKER, . 471 15 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22969.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 248 52.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 1 0.2 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 . 42 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 2 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 8 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 0 0 0 PARALLEL BRIDGES PER LADDER . 6 2 5 3 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 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 4 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 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 26 A L 0 0 118 0, 0.0 2,-0.3 0, 0.0 112,-0.1 0.000 360.0 360.0 360.0 41.4 20.9 -7.9 2.9 2 27 A P - 0 0 85 0, 0.0 113,-0.6 0, 0.0 2,-0.4 -0.744 360.0-130.6-101.0 148.8 21.4 -7.4 -0.9 3 28 A I E -a 115 0A 34 -2,-0.3 2,-0.4 111,-0.1 113,-0.2 -0.826 27.5-176.8 -98.0 137.8 22.0 -4.1 -2.6 4 29 A S E -a 116 0A 52 111,-0.7 113,-2.5 -2,-0.4 2,-0.4 -0.998 13.6-148.3-135.7 140.0 19.8 -3.4 -5.6 5 30 A I E +a 117 0A 23 -2,-0.4 2,-0.4 111,-0.2 113,-0.2 -0.879 16.8 177.5-110.6 140.6 19.9 -0.5 -8.0 6 31 A V E -a 118 0A 56 111,-1.5 113,-1.5 -2,-0.4 2,-0.4 -0.995 8.0-178.6-143.0 136.1 16.8 0.9 -9.7 7 32 A N - 0 0 31 -2,-0.4 2,-0.7 111,-0.2 3,-0.1 -0.874 8.3-165.2-138.9 102.8 16.5 3.8 -12.0 8 33 A R S S- 0 0 75 111,-0.4 3,-0.1 -2,-0.4 -2,-0.0 -0.792 72.8 -8.6 -91.8 118.6 13.2 4.7 -13.4 9 34 A E S S+ 0 0 100 -2,-0.7 2,-0.3 1,-0.3 -1,-0.2 0.441 106.3 99.3 85.9 -3.7 13.2 7.2 -16.3 10 35 A D - 0 0 80 2,-0.1 -1,-0.3 -3,-0.1 -3,-0.1 -0.785 65.4-141.4-111.1 166.0 16.8 8.2 -16.4 11 36 A D + 0 0 132 -2,-0.3 2,-0.1 -3,-0.1 -1,-0.1 0.256 67.4 115.1-104.9 5.4 19.6 6.9 -18.7 12 37 A A + 0 0 26 3,-0.0 2,-0.3 107,-0.0 -2,-0.1 -0.388 38.9 177.3 -79.1 154.4 22.1 7.0 -15.8 13 38 A F - 0 0 77 -2,-0.1 2,-0.1 263,-0.0 -2,-0.1 -0.905 43.8 -72.8-145.7 168.0 23.8 4.0 -14.3 14 39 A L - 0 0 37 -2,-0.3 -9,-0.0 263,-0.1 0, 0.0 -0.447 60.1-101.1 -66.8 138.4 26.5 3.5 -11.6 15 40 A N > - 0 0 86 1,-0.2 3,-2.0 -2,-0.1 -1,-0.1 -0.412 26.4-131.5 -59.8 130.5 29.9 4.6 -12.9 16 41 A P T 3 S+ 0 0 5 0, 0.0 -1,-0.2 0, 0.0 249,-0.1 0.720 106.7 59.3 -59.5 -15.5 31.7 1.3 -13.8 17 42 A N T 3 S+ 0 0 42 247,-0.2 2,-0.1 2,-0.1 -2,-0.1 0.694 80.5 98.4 -87.4 -17.3 34.5 2.7 -11.8 18 43 A F < - 0 0 14 -3,-2.0 2,-0.4 168,-0.1 168,-0.2 -0.449 61.2-158.7 -68.0 145.8 32.7 3.0 -8.6 19 44 A R E -d 186 0B 21 166,-0.5 168,-1.8 -2,-0.1 2,-0.4 -0.994 12.7-133.9-132.9 136.8 33.4 -0.0 -6.3 20 45 A F E -d 187 0B 41 261,-0.4 2,-0.3 -2,-0.4 263,-0.2 -0.731 26.9-174.9 -90.3 130.5 31.4 -1.5 -3.3 21 46 A I - 0 0 30 166,-1.6 3,-0.1 -2,-0.4 122,-0.1 -0.954 26.7-150.7-127.2 145.5 33.4 -2.4 -0.2 22 47 A D S S+ 0 0 139 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.776 85.1 27.7 -85.4 -26.7 32.5 -4.1 3.1 23 48 A H S S- 0 0 133 164,-0.1 -1,-0.2 120,-0.0 120,-0.1 -0.985 89.1-101.7-135.6 146.5 35.1 -2.3 5.3 24 49 A S - 0 0 33 -2,-0.3 2,-0.4 -3,-0.1 121,-0.2 -0.157 33.0-134.4 -62.3 161.3 36.8 1.0 5.1 25 50 A I E -e 145 0C 88 119,-2.0 121,-1.9 -4,-0.0 2,-0.2 -0.978 10.0-134.0-125.2 126.5 40.4 1.3 3.8 26 51 A I E -e 146 0C 65 -2,-0.4 121,-0.1 119,-0.2 2,-0.1 -0.527 15.7-133.2 -78.5 138.8 43.2 3.3 5.3 27 52 A G > - 0 0 12 119,-1.9 3,-0.8 -2,-0.2 -1,-0.1 -0.372 32.2-104.4 -78.3 170.4 45.4 5.5 3.2 28 53 A K T 3 S+ 0 0 209 1,-0.2 -1,-0.1 -2,-0.1 119,-0.1 0.737 111.1 61.3 -75.5 -23.4 49.1 5.2 3.9 29 54 A N T 3 S+ 0 0 93 2,-0.0 -1,-0.2 119,-0.0 118,-0.1 0.200 87.6 104.4 -91.0 23.3 49.8 8.4 5.9 30 55 A V S < S- 0 0 20 -3,-0.8 -4,-0.0 116,-0.1 118,-0.0 -0.789 72.8 -96.2-114.3 151.5 47.4 7.5 8.7 31 56 A P + 0 0 74 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.150 29.0 174.3 -58.4 136.6 47.8 6.2 12.3 32 57 A V - 0 0 104 180,-0.0 3,-0.1 0, 0.0 180,-0.1 -0.603 27.7-143.6-143.1 79.8 47.7 2.5 13.6 33 58 A A - 0 0 46 178,-0.2 178,-0.1 -2,-0.1 5,-0.0 0.000 36.9 -80.9 -43.8 146.2 48.6 2.5 17.3 34 59 A D > - 0 0 60 1,-0.2 3,-2.1 2,-0.1 4,-0.2 -0.143 24.3-127.4 -54.8 141.0 50.6 -0.5 18.5 35 60 A Q T 3 S+ 0 0 95 1,-0.3 3,-0.2 2,-0.2 -1,-0.2 0.452 104.3 82.9 -66.7 3.6 48.9 -3.8 19.2 36 61 A S T 3 S+ 0 0 84 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.614 93.2 36.4 -84.1 -16.7 50.9 -3.2 22.4 37 62 A F S < S+ 0 0 177 -3,-2.1 2,-0.2 2,-0.0 -1,-0.2 0.248 85.6 129.8-120.4 13.4 48.3 -0.9 24.1 38 63 A R - 0 0 95 -4,-0.2 2,-0.4 -3,-0.2 172,-0.1 -0.504 32.6-177.4 -73.6 133.1 45.2 -2.6 22.8 39 64 A V + 0 0 99 170,-0.5 2,-0.2 -2,-0.2 57,-0.1 -0.995 10.8 166.7-136.5 126.6 42.5 -3.4 25.4 40 65 A G - 0 0 23 55,-0.6 2,-0.4 -2,-0.4 56,-0.3 -0.374 47.6 -75.8-111.7-162.1 39.2 -5.2 25.1 41 66 A C - 0 0 6 -2,-0.2 56,-5.4 52,-0.1 57,-0.1 -0.895 19.6-153.2-111.9 136.1 37.1 -6.5 27.9 42 67 A S + 0 0 111 -2,-0.4 -1,-0.1 54,-0.2 54,-0.1 0.468 46.5 146.9 -77.9 -7.7 37.7 -9.7 29.9 43 68 A C 0 0 19 1,-0.1 4,-0.1 3,-0.0 -2,-0.1 0.144 360.0 360.0 -28.0 146.2 34.0 -10.0 30.6 44 69 A A 0 0 130 2,-0.1 -1,-0.1 54,-0.0 54,-0.0 -0.704 360.0 360.0-119.5 360.0 33.0 -13.6 30.8 45 ! 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 46 73 A E > 0 0 73 0, 0.0 3,-0.6 0, 0.0 6,-0.2 0.000 360.0 360.0 360.0 57.9 27.5 -9.0 30.2 47 74 A C T 3 + 0 0 1 1,-0.2 45,-0.1 4,-0.1 51,-0.0 -0.100 360.0 83.2-100.7 29.9 28.8 -6.0 28.5 48 75 A M T 3 S+ 0 0 21 17,-0.1 17,-3.0 16,-0.1 18,-0.8 0.358 80.6 71.8-111.7 0.8 25.7 -3.9 29.3 49 76 A Y B X S-I 64 0D 79 -3,-0.6 3,-1.5 15,-0.3 6,-0.2 -0.779 92.6-106.2-116.3 161.9 26.8 -2.9 32.8 50 77 A S T 3 S+ 0 0 81 13,-0.8 5,-0.1 -2,-0.3 14,-0.1 0.555 105.2 82.6 -63.6 -10.2 29.4 -0.5 34.0 51 78 A T T 3 S+ 0 0 113 -5,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.808 73.1 90.0 -63.6 -30.0 31.7 -3.3 35.1 52 79 A C S X S- 0 0 2 -3,-1.5 3,-1.4 -6,-0.2 -11,-0.1 -0.525 75.9-141.6 -72.2 128.5 33.0 -3.6 31.5 53 80 A Q G > S+ 0 0 53 -2,-0.3 3,-0.9 1,-0.2 4,-0.3 0.521 92.0 79.4 -69.4 -5.9 36.0 -1.5 30.8 54 81 A C G 3 S+ 0 0 7 1,-0.2 -1,-0.2 2,-0.1 3,-0.2 0.759 94.7 46.0 -73.3 -24.3 34.6 -0.7 27.3 55 82 A L G < S+ 0 0 9 -3,-1.4 -1,-0.2 -6,-0.2 -2,-0.1 0.032 75.3 113.4-108.9 27.3 32.3 1.9 28.8 56 83 A D S < S+ 0 0 105 -3,-0.9 -1,-0.1 1,-0.2 -2,-0.1 0.995 81.8 44.1 -60.1 -62.9 34.7 3.8 31.1 57 84 A E S S+ 0 0 103 -4,-0.3 2,-1.2 -3,-0.2 -1,-0.2 0.728 92.1 98.2 -55.7 -20.7 34.6 7.0 29.2 58 85 A M S S- 0 0 14 -4,-0.1 -1,-0.1 29,-0.0 -3,-0.1 -0.577 76.1-143.5 -71.7 99.3 30.9 6.6 28.9 59 86 A A 0 0 72 -2,-1.2 -2,-0.0 1,-0.2 -1,-0.0 -0.043 360.0 360.0 -55.7 166.7 29.7 8.8 31.8 60 87 A P 0 0 145 0, 0.0 -1,-0.2 0, 0.0 5,-0.0 -0.532 360.0 360.0 -79.1 360.0 26.7 7.6 33.9 61 ! 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 62 98 A R 0 0 132 0, 0.0 2,-0.2 0, 0.0 -13,-0.0 0.000 360.0 360.0 360.0 81.5 24.8 -2.1 38.8 63 99 A K - 0 0 141 1,-0.1 -13,-0.8 2,-0.0 2,-0.2 -0.621 360.0 -89.3-110.5 173.7 22.5 -0.8 36.1 64 100 A K B +I 49 0D 53 -2,-0.2 -15,-0.3 -15,-0.2 -1,-0.1 -0.531 47.8 155.6 -80.4 149.9 22.7 -1.1 32.3 65 101 A R + 0 0 37 -17,-3.0 2,-0.2 -2,-0.2 -16,-0.2 0.480 29.5 114.7-152.2 -4.3 24.6 1.5 30.3 66 102 A F S S- 0 0 2 -18,-0.8 -17,-0.1 1,-0.2 3,-0.1 0.308 82.5-110.1 -68.7 10.3 25.8 0.2 26.9 67 103 A A S S+ 0 0 1 -2,-0.2 12,-1.2 1,-0.2 2,-0.3 0.697 89.1 84.5 73.8 19.9 23.7 2.6 24.7 68 104 A Y B S-J 78 0E 0 10,-0.3 2,-0.3 -20,-0.1 10,-0.2 -0.981 83.9-100.1-145.6 155.9 21.3 -0.1 23.3 69 105 A Y - 0 0 53 8,-2.1 7,-3.5 5,-0.5 8,-0.2 -0.580 24.4-155.0 -82.5 139.7 18.1 -1.5 24.7 70 106 A S S S- 0 0 23 -2,-0.3 5,-0.1 5,-0.2 -1,-0.1 0.590 72.0 -7.5 -89.8 -14.7 18.3 -5.0 26.4 71 107 A Q S S+ 0 0 156 3,-0.0 4,-0.1 0, 0.0 -1,-0.1 0.582 91.5 97.1-162.7 -4.2 14.8 -6.6 26.1 72 108 A G S > S- 0 0 47 1,-0.1 3,-2.5 2,-0.1 -3,-0.0 -0.096 94.8 -82.6 -82.8-169.6 11.8 -4.7 24.8 73 109 A A T 3 S+ 0 0 88 1,-0.3 -1,-0.1 3,-0.0 0, 0.0 0.599 137.5 60.8 -66.0 -6.0 10.4 -4.8 21.3 74 110 A K T > S+ 0 0 104 3,-0.1 3,-1.9 -6,-0.0 -5,-0.5 0.112 75.2 145.1-103.8 18.3 13.2 -2.3 21.0 75 111 A K T < S+ 0 0 121 -3,-2.5 -5,-0.2 1,-0.3 3,-0.1 -0.332 72.4 15.3 -58.0 140.0 15.9 -4.7 22.1 76 112 A G T 3 S+ 0 0 33 -7,-3.5 2,-0.3 1,-0.3 -1,-0.3 0.598 100.5 119.9 71.9 12.0 19.1 -3.9 20.2 77 113 A L S < S- 0 0 17 -3,-1.9 -8,-2.1 -8,-0.2 -1,-0.3 -0.819 79.0 -82.6-106.9 151.2 17.9 -0.5 19.1 78 114 A L B -J 68 0E 3 58,-3.0 -10,-0.3 -2,-0.3 -1,-0.1 -0.231 50.3-110.7 -54.8 131.4 19.7 2.7 20.1 79 115 A R > - 0 0 24 -12,-1.2 4,-1.5 1,-0.2 3,-0.3 -0.282 19.2-128.0 -58.8 149.4 18.7 3.8 23.6 80 116 A D H > S+ 0 0 63 1,-0.2 4,-1.5 2,-0.2 5,-0.3 0.806 109.4 65.2 -70.5 -28.3 16.7 7.0 23.4 81 117 A R H > S+ 0 0 142 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.879 107.5 40.7 -59.8 -36.1 19.1 8.4 25.9 82 118 A V H > S+ 0 0 0 -3,-0.3 4,-1.4 2,-0.2 5,-0.3 0.789 110.7 56.6 -83.3 -32.9 21.9 8.2 23.3 83 119 A L H >< S+ 0 0 9 -4,-1.5 3,-1.2 1,-0.2 -2,-0.2 0.996 114.9 36.7 -59.1 -69.3 19.8 9.3 20.3 84 120 A Q H 3< S+ 0 0 88 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.705 123.4 45.3 -53.5 -29.2 18.7 12.6 21.9 85 121 A S H 3< S- 0 0 63 -4,-0.7 -1,-0.2 -5,-0.3 -2,-0.2 0.461 86.6-149.2-102.1 -9.3 22.2 13.1 23.6 86 122 A Q << + 0 0 47 -4,-1.4 -3,-0.1 -3,-1.2 119,-0.1 0.713 34.6 158.5 44.2 39.9 24.6 12.2 20.7 87 123 A E - 0 0 44 -5,-0.3 -1,-0.2 1,-0.1 -2,-0.1 -0.689 52.9 -87.7 -89.6 142.9 27.4 10.8 22.9 88 124 A P - 0 0 19 0, 0.0 2,-0.7 0, 0.0 118,-0.2 -0.127 41.5-119.6 -49.3 142.9 29.9 8.5 21.1 89 125 A I E -k 206 0F 0 116,-3.0 118,-2.9 -3,-0.1 2,-0.9 -0.793 20.3-151.0 -90.2 117.5 28.8 4.9 21.2 90 126 A Y E +k 207 0F 13 -2,-0.7 2,-0.2 116,-0.2 118,-0.2 -0.807 25.9 177.9 -91.7 107.9 31.4 2.7 23.0 91 127 A E - 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