==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-JUN-13 4L58 . COMPND 2 MOLECULE: HISTONE-LYSINE N-METHYLTRANSFERASE MLL5; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Q.TONG,M.ALI,T.G.KUTATELADZE . 72 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4871.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 33 45.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.4 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 . 5 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.8 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 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 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 D 0 0 184 0, 0.0 2,-0.5 0, 0.0 23,-0.1 0.000 360.0 360.0 360.0 24.2 5.7 -2.2 20.6 2 2 A V - 0 0 77 21,-0.5 23,-2.4 2,-0.0 2,-0.5 -0.887 360.0-161.2-108.5 129.8 3.0 -4.9 19.8 3 3 A T B +a 25 0A 33 -2,-0.5 2,-0.2 21,-0.2 23,-0.2 -0.935 20.7 158.2-105.9 125.7 1.5 -5.3 16.3 4 4 A R + 0 0 50 21,-2.1 2,-0.2 -2,-0.5 6,-0.1 -0.717 12.7 163.7-146.4 95.4 -1.8 -7.2 16.1 5 5 A C > - 0 0 7 4,-0.4 3,-1.3 -2,-0.2 21,-0.1 -0.689 50.5-111.0-109.9 162.5 -3.8 -6.5 13.0 6 6 A I T 3 S+ 0 0 6 1,-0.3 52,-0.1 -2,-0.2 -1,-0.1 0.728 116.1 62.0 -67.5 -19.0 -6.7 -8.4 11.5 7 7 A C T 3 S- 0 0 12 2,-0.1 -1,-0.3 50,-0.1 3,-0.1 0.693 102.0-133.4 -76.1 -20.8 -4.5 -9.4 8.6 8 8 A G < + 0 0 58 -3,-1.3 2,-0.2 1,-0.3 -2,-0.1 0.320 61.0 132.4 84.0 -8.7 -2.2 -11.3 10.9 9 9 A F - 0 0 28 1,-0.1 -4,-0.4 2,-0.0 -1,-0.3 -0.540 44.1-160.0 -79.9 146.0 0.9 -9.7 9.3 10 10 A T + 0 0 116 -2,-0.2 -1,-0.1 -3,-0.1 -7,-0.0 0.477 55.5 104.9-105.9 -5.7 3.5 -8.3 11.7 11 11 A H S S- 0 0 44 1,-0.1 2,-0.6 2,-0.0 54,-0.0 -0.281 75.5-112.9 -71.3 162.4 5.4 -6.0 9.3 12 12 A D - 0 0 53 1,-0.1 -1,-0.1 2,-0.1 -2,-0.1 -0.883 24.8-167.8 -96.0 121.8 5.0 -2.2 9.3 13 13 A D - 0 0 28 -2,-0.6 -1,-0.1 2,-0.1 -2,-0.0 0.330 50.2 -96.5 -97.8 7.6 3.2 -1.1 6.1 14 14 A G S S+ 0 0 25 59,-0.0 2,-0.2 56,-0.0 -2,-0.1 0.283 107.4 58.6 99.6 -11.6 3.9 2.7 6.4 15 15 A Y + 0 0 29 56,-0.2 13,-2.3 2,-0.0 14,-0.5 -0.689 64.4 156.0-151.7 98.6 0.6 3.8 8.0 16 16 A M E -BC 27 70A 0 54,-2.6 54,-2.0 11,-0.2 2,-0.3 -0.778 24.8-150.4-124.0 163.3 -0.5 2.2 11.3 17 17 A I E -BC 26 69A 0 9,-2.7 9,-2.6 -2,-0.3 2,-0.4 -0.969 13.7-132.8-138.6 146.9 -2.7 3.2 14.2 18 18 A C E -B 25 0A 14 50,-2.5 50,-0.5 -2,-0.3 2,-0.3 -0.871 20.7-118.1-111.3 131.6 -2.6 2.3 17.9 19 19 A C > - 0 0 1 5,-2.8 4,-1.6 -2,-0.4 24,-0.2 -0.485 16.7-146.1 -66.8 126.7 -5.4 1.1 20.0 20 20 A D T 4 S+ 0 0 82 22,-3.2 -1,-0.2 -2,-0.3 23,-0.1 0.710 94.8 38.9 -69.2 -20.0 -6.1 3.6 22.8 21 21 A K T 4 S+ 0 0 151 21,-0.3 -1,-0.2 3,-0.1 22,-0.1 0.917 132.0 16.7 -92.0 -57.9 -7.1 0.8 25.2 22 22 A C T 4 S- 0 0 58 2,-0.1 -2,-0.2 1,-0.0 21,-0.1 0.535 90.7-131.9-101.8 -8.2 -4.7 -2.2 24.6 23 23 A S < + 0 0 70 -4,-1.6 -21,-0.5 1,-0.2 2,-0.1 0.519 51.7 146.1 72.6 9.6 -2.0 -0.4 22.6 24 24 A V - 0 0 14 -23,-0.1 -5,-2.8 -6,-0.1 2,-0.4 -0.488 44.8-127.4 -73.9 150.6 -1.7 -2.9 19.7 25 25 A W E -aB 3 18A 9 -23,-2.4 -21,-2.1 -7,-0.2 2,-0.3 -0.793 27.6-177.6-100.0 142.6 -0.8 -1.4 16.3 26 26 A Q E - B 0 17A 0 -9,-2.6 -9,-2.7 -2,-0.4 2,-0.4 -0.935 33.2-103.4-136.3 155.7 -2.9 -2.1 13.3 27 27 A H E > - B 0 16A 0 -2,-0.3 4,-1.8 -11,-0.2 -11,-0.2 -0.683 24.4-142.1 -79.9 129.1 -2.6 -1.2 9.6 28 28 A I H >>S+ 0 0 0 -13,-2.3 5,-2.4 -2,-0.4 4,-0.5 0.885 100.3 55.9 -62.5 -34.0 -5.1 1.6 8.8 29 29 A D H >45S+ 0 0 36 -14,-0.5 3,-1.1 1,-0.2 -1,-0.2 0.939 108.0 48.0 -61.5 -46.0 -5.8 0.0 5.4 30 30 A C H 345S+ 0 0 3 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.871 112.7 48.2 -59.2 -39.7 -6.8 -3.3 6.9 31 31 A M H 3<5S- 0 0 7 -4,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.426 112.9-117.2 -87.7 1.4 -9.0 -1.6 9.5 32 32 A G T <<5 + 0 0 56 -3,-1.1 2,-0.6 -4,-0.5 -3,-0.2 0.771 60.5 153.5 69.7 27.0 -10.8 0.5 6.9 33 33 A I < - 0 0 29 -5,-2.4 2,-0.4 -6,-0.2 -1,-0.2 -0.800 41.4-134.8 -90.9 122.3 -9.5 3.8 8.4 34 34 A D > - 0 0 79 -2,-0.6 3,-2.7 3,-0.3 -5,-0.0 -0.645 6.8-138.0 -80.4 127.6 -9.3 6.5 5.8 35 35 A R T 3 S+ 0 0 124 -2,-0.4 3,-0.4 1,-0.3 -1,-0.1 0.713 106.2 54.2 -59.9 -19.3 -6.0 8.5 6.1 36 36 A Q T 3 S+ 0 0 166 1,-0.2 -1,-0.3 0, 0.0 -2,-0.0 0.495 112.2 43.8 -88.5 -5.1 -8.1 11.7 5.6 37 37 A H S < S+ 0 0 136 -3,-2.7 -3,-0.3 2,-0.0 -1,-0.2 -0.274 70.5 167.2-137.5 46.7 -10.5 10.8 8.4 38 38 A I - 0 0 46 -3,-0.4 -3,-0.1 -5,-0.1 4,-0.1 -0.503 34.6-126.8 -68.9 127.9 -8.4 9.6 11.4 39 39 A P - 0 0 42 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.317 9.2-124.0 -73.1 158.2 -10.6 9.6 14.5 40 40 A D S S+ 0 0 150 1,-0.2 2,-0.4 27,-0.0 -2,-0.0 0.920 101.4 30.5 -65.3 -44.7 -9.6 11.3 17.7 41 41 A T S S- 0 0 99 26,-0.1 2,-0.4 2,-0.0 -1,-0.2 -0.934 75.8-167.1-116.5 138.5 -9.9 8.1 19.7 42 42 A Y - 0 0 7 -2,-0.4 -22,-3.2 -24,-0.2 2,-0.4 -0.990 6.8-176.6-131.6 130.7 -9.3 4.6 18.2 43 43 A L - 0 0 46 -2,-0.4 -24,-0.1 -24,-0.2 -2,-0.0 -0.968 26.2-121.3-120.8 140.7 -10.0 1.2 19.5 44 44 A C > - 0 0 0 -2,-0.4 4,-2.0 1,-0.1 -39,-0.1 -0.078 38.1 -94.4 -68.1 176.6 -9.1 -2.1 17.8 45 45 A E T 4>S+ 0 0 30 1,-0.2 5,-0.6 2,-0.2 -1,-0.1 0.528 124.8 49.1 -79.7 -5.0 -11.7 -4.7 16.8 46 46 A R T 45S+ 0 0 181 3,-0.2 -1,-0.2 2,-0.1 -3,-0.0 0.787 113.1 44.5 -93.5 -38.3 -11.3 -6.6 20.1 47 47 A C T 45S+ 0 0 30 1,-0.3 -2,-0.2 2,-0.0 -1,-0.0 0.755 132.7 24.1 -77.1 -24.9 -11.6 -3.6 22.4 48 48 A Q T <5S- 0 0 93 -4,-2.0 -1,-0.3 2,-0.1 -2,-0.1 -0.723 96.4-140.0-137.0 82.9 -14.6 -2.3 20.3 49 49 A P T 5 + 0 0 108 0, 0.0 2,-0.3 0, 0.0 -3,-0.2 -0.135 40.1 141.2 -54.1 133.1 -16.0 -5.4 18.6 50 50 A R < - 0 0 69 -5,-0.6 2,-0.4 2,-0.0 -2,-0.1 -0.963 49.6 -97.8-165.1 158.7 -17.1 -4.9 15.0 51 51 A N + 0 0 169 -2,-0.3 2,-0.3 2,-0.0 0, 0.0 -0.700 40.4 170.0 -92.7 136.8 -17.0 -6.9 11.8 52 52 A L - 0 0 63 -2,-0.4 2,-1.1 -46,-0.0 3,-0.1 -0.938 43.2-100.6-138.6 158.9 -14.3 -6.3 9.1 53 53 A D > - 0 0 88 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 -0.719 36.3-179.2 -85.7 100.1 -13.3 -8.1 6.0 54 54 A K H > S+ 0 0 103 -2,-1.1 4,-2.4 1,-0.2 -1,-0.2 0.872 79.1 55.4 -69.6 -36.9 -10.2 -10.1 7.1 55 55 A E H > S+ 0 0 134 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.874 105.9 52.1 -67.8 -35.8 -9.6 -11.5 3.6 56 56 A R H > S+ 0 0 102 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.914 109.0 51.1 -61.1 -44.5 -9.4 -8.0 2.1 57 57 A A H X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.941 110.5 48.7 -60.3 -46.8 -6.9 -7.1 4.7 58 58 A V H X S+ 0 0 33 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.926 111.5 47.9 -60.6 -46.5 -4.7 -10.1 4.0 59 59 A L H X S+ 0 0 107 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.874 111.7 50.8 -68.5 -32.6 -4.7 -9.6 0.2 60 60 A L H < S+ 0 0 47 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.900 112.8 46.0 -66.5 -39.6 -3.8 -5.9 0.6 61 61 A Q H >< S+ 0 0 0 -4,-2.1 3,-1.6 1,-0.2 4,-0.3 0.794 98.6 69.1 -78.6 -26.5 -0.9 -6.7 2.9 62 62 A R H >< S+ 0 0 149 -4,-2.0 3,-1.1 1,-0.3 -1,-0.2 0.898 99.8 49.4 -56.9 -40.0 0.6 -9.5 0.8 63 63 A R T 3< S+ 0 0 217 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.511 103.4 62.7 -82.1 -0.5 1.6 -7.0 -1.9 64 64 A K T < 0 0 79 -3,-1.6 -1,-0.2 -4,-0.1 -2,-0.2 0.396 360.0 360.0-101.5 0.8 3.2 -4.8 0.7 65 65 A R < 0 0 203 -3,-1.1 -52,-0.0 -4,-0.3 -3,-0.0 -0.523 360.0 360.0 -81.4 360.0 5.8 -7.3 1.9 66 !* 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 67 1 B A 0 0 46 0, 0.0 2,-0.6 0, 0.0 -26,-0.1 0.000 360.0 360.0 360.0 165.5 -5.5 8.9 17.4 68 2 B R + 0 0 167 -50,-0.5 -50,-2.5 -26,-0.1 2,-0.2 -0.820 360.0 166.2 -86.0 126.7 -1.9 7.8 17.7 69 3 B T E -C 17 0A 41 -2,-0.6 2,-0.3 -52,-0.2 -52,-0.2 -0.739 24.2-147.5-125.3 174.3 -0.6 6.8 14.3 70 4 B X E -C 16 0A 86 -54,-2.0 -54,-2.6 -2,-0.2 2,-0.5 -0.962 6.5-168.7-147.4 137.0 2.8 6.1 12.8 71 5 B Q - 0 0 127 -2,-0.3 2,-0.3 -56,-0.2 -56,-0.2 -0.811 17.2-161.5-123.6 88.0 4.0 6.7 9.3 72 6 B T 0 0 79 -2,-0.5 -2,-0.1 1,-0.0 0, 0.0 -0.529 360.0 360.0 -74.8 128.9 7.3 4.9 9.0 73 7 B A 0 0 145 -2,-0.3 -59,-0.0 0, 0.0 -2,-0.0 -0.924 360.0 360.0-121.9 360.0 9.5 6.1 6.0