==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 12-MAR-13 4JLG . COMPND 2 MOLECULE: HISTONE-LYSINE N-METHYLTRANSFERASE SETD7; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.DONG,H.WU,H.ZENG,M.EL BAKKOURI,D.BARSYTE,M.VEDADI,J.TATLOC . 497 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23714.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 311 62.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 148 29.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 8 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 2.0 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 . 44 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 7.2 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+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 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 0 PARALLEL BRIDGES PER LADDER . 2 8 2 6 4 2 0 4 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 . 2 4 0 2 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 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 1 117 A G 0 0 83 0, 0.0 2,-0.3 0, 0.0 61,-0.1 0.000 360.0 360.0 360.0-176.7 18.4 21.3 15.4 2 118 A V - 0 0 43 14,-0.1 2,-0.4 2,-0.0 14,-0.2 -0.996 360.0-147.8-146.7 138.1 16.1 18.7 13.7 3 119 A C E -A 15 0A 46 12,-2.8 12,-2.0 -2,-0.3 2,-0.4 -0.883 4.6-163.7-110.7 140.5 12.6 18.8 12.2 4 120 A W E -A 14 0A 63 -2,-0.4 2,-0.5 10,-0.2 10,-0.2 -0.985 3.4-168.3-117.5 131.5 10.0 16.0 12.1 5 121 A I E -A 13 0A 77 8,-2.7 8,-2.2 -2,-0.4 2,-0.4 -0.964 9.9-159.8-121.3 111.1 7.0 16.4 9.8 6 122 A Y E -A 12 0A 120 -2,-0.5 6,-0.2 6,-0.2 5,-0.1 -0.786 5.4-146.5 -95.6 131.6 4.3 13.8 10.4 7 123 A Y > - 0 0 65 4,-2.9 3,-1.7 -2,-0.4 -2,-0.0 -0.540 31.4-108.7 -82.7 157.9 1.7 13.0 7.8 8 124 A P T 3 S+ 0 0 135 0, 0.0 -1,-0.1 0, 0.0 184,-0.0 0.828 117.4 63.7 -56.6 -32.5 -1.9 12.1 8.9 9 125 A D T 3 S- 0 0 10 1,-0.1 116,-0.2 2,-0.0 3,-0.1 0.590 121.0-103.3 -69.0 -13.0 -1.2 8.4 7.9 10 126 A G S < S+ 0 0 27 -3,-1.7 25,-0.1 1,-0.4 -1,-0.1 0.174 84.0 118.0 111.5 -18.3 1.6 8.1 10.6 11 127 A G - 0 0 0 182,-0.1 -4,-2.9 -5,-0.1 -1,-0.4 -0.311 43.5-166.7 -74.0 163.7 4.6 8.3 8.3 12 128 A S E -AB 6 31A 2 19,-2.2 19,-2.8 -6,-0.2 2,-0.4 -0.979 23.9-134.9-150.3 159.2 7.1 11.2 8.8 13 129 A L E -AB 5 30A 4 -8,-2.2 -8,-2.7 -2,-0.3 2,-0.4 -0.978 30.4-175.6-112.6 134.9 10.0 13.0 7.3 14 130 A V E +AB 4 29A 1 15,-2.7 15,-2.4 -2,-0.4 2,-0.3 -0.996 22.2 88.3-137.6 135.2 12.9 13.8 9.6 15 131 A G E S-A 3 0A 6 -12,-2.0 -12,-2.8 -2,-0.4 2,-0.4 -0.939 70.6 -57.0 170.3 178.4 16.2 15.8 9.3 16 132 A E - 0 0 112 -2,-0.3 8,-0.3 -14,-0.2 2,-0.2 -0.681 51.8-131.1 -75.6 129.6 18.1 19.0 9.6 17 133 A V - 0 0 64 -2,-0.4 6,-0.2 6,-0.1 8,-0.0 -0.504 24.5-121.7 -75.1 151.3 16.6 21.7 7.4 18 134 A N > - 0 0 61 4,-2.4 3,-1.9 -2,-0.2 -1,-0.1 -0.013 45.2 -68.6 -81.3-166.9 19.0 23.7 5.2 19 135 A E T 3 S+ 0 0 115 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.627 135.5 45.3 -59.0 -15.3 19.8 27.4 5.1 20 136 A D T 3 S- 0 0 72 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.272 120.0-101.5-114.7 8.8 16.3 28.0 3.6 21 137 A G S < S+ 0 0 54 -3,-1.9 2,-0.4 1,-0.3 -2,-0.1 0.696 78.2 137.0 77.8 21.7 14.2 25.8 5.9 22 138 A E - 0 0 75 2,-0.1 -4,-2.4 -6,-0.0 2,-2.2 -0.797 66.8-117.4-104.4 142.8 13.9 23.0 3.3 23 139 A M + 0 0 10 -2,-0.4 23,-2.7 -6,-0.2 2,-0.4 -0.539 68.4 135.2 -72.3 77.6 14.3 19.3 3.8 24 140 A T + 0 0 38 -2,-2.2 2,-0.3 -8,-0.3 20,-0.2 -0.999 26.1 72.5-135.0 131.8 17.4 19.1 1.6 25 141 A G E S- C 0 43A 26 18,-2.1 18,-2.1 -2,-0.4 3,-0.3 -0.950 80.6 -80.7 153.2-172.0 20.6 17.3 2.3 26 142 A E E S+ 0 0 125 -2,-0.3 16,-0.1 16,-0.2 -1,-0.1 0.376 113.4 56.1-106.6 -1.6 22.3 13.8 2.5 27 143 A K E S+ 0 0 132 -11,-0.1 2,-0.3 16,-0.1 -11,-0.2 -0.126 75.6 119.2-129.2 36.5 21.1 12.8 6.0 28 144 A I E - C 0 41A 2 13,-2.1 13,-3.3 -3,-0.3 2,-0.3 -0.700 41.6-161.7-100.8 153.9 17.3 13.1 5.7 29 145 A A E -BC 14 40A 0 -15,-2.4 -15,-2.7 -2,-0.3 2,-0.5 -0.996 21.6-144.8-139.5 143.3 14.9 10.1 6.2 30 146 A Y E -BC 13 39A 2 9,-2.5 9,-3.2 -2,-0.3 2,-0.5 -0.908 26.1-159.3 -94.1 134.0 11.4 9.0 5.6 31 147 A V E -BC 12 38A 1 -19,-2.8 -19,-2.2 -2,-0.5 7,-0.2 -0.974 12.2-130.2-117.4 124.7 10.2 6.9 8.5 32 148 A Y > - 0 0 1 5,-2.6 3,-2.3 -2,-0.5 4,-0.1 -0.099 36.9 -92.7 -62.9 168.6 7.3 4.5 8.0 33 149 A P T 3 S+ 0 0 30 0, 0.0 -1,-0.1 0, 0.0 -22,-0.0 0.623 121.8 71.3 -65.2 -12.2 4.3 4.5 10.5 34 150 A D T 3 S- 0 0 43 3,-0.1 -2,-0.1 1,-0.0 -23,-0.1 0.542 100.8-135.0 -75.4 -7.2 6.0 1.8 12.5 35 151 A E S < S+ 0 0 115 -3,-2.3 3,-0.1 2,-0.2 -1,-0.0 0.734 90.4 68.5 59.9 26.7 8.4 4.5 13.6 36 152 A R S S+ 0 0 57 1,-0.2 20,-3.4 -4,-0.1 2,-0.4 0.553 75.5 75.0-136.9 -45.1 11.3 2.0 13.0 37 153 A T E + D 0 55A 27 18,-0.2 -5,-2.6 16,-0.0 2,-0.3 -0.678 65.9 179.1 -84.0 130.5 11.6 1.3 9.3 38 154 A A E -CD 31 54A 0 16,-2.7 16,-2.7 -2,-0.4 2,-0.6 -0.927 37.3-142.6-137.8 154.8 13.3 4.1 7.4 39 155 A L E -CD 30 53A 1 -9,-3.2 -9,-2.5 -2,-0.3 2,-0.4 -0.954 36.3-170.5-115.2 108.5 14.5 5.4 4.0 40 156 A Y E +CD 29 52A 58 12,-3.0 12,-2.8 -2,-0.6 2,-0.3 -0.847 31.4 44.1-113.2 131.8 17.6 7.3 4.7 41 157 A G E S+CD 28 51A 9 -13,-3.3 -13,-2.1 -2,-0.4 2,-0.6 -0.978 81.3 21.1 153.8-136.9 19.7 9.5 2.4 42 158 A K E + D 0 50A 60 8,-1.6 7,-2.7 -2,-0.3 8,-2.2 -0.657 55.5 168.1 -83.1 116.6 19.5 12.3 -0.2 43 159 A F E -CD 25 48A 2 -18,-2.1 -18,-2.1 -2,-0.6 2,-0.4 -0.924 20.9-156.5-121.9 148.3 16.3 14.3 -0.3 44 160 A I E > S- D 0 47A 83 3,-2.6 3,-2.0 -2,-0.3 -20,-0.2 -0.969 79.7 -23.2-127.4 118.7 15.6 17.6 -2.1 45 161 A D T 3 S- 0 0 106 -2,-0.4 -21,-0.2 1,-0.3 3,-0.1 0.884 129.0 -48.6 46.9 47.3 12.8 19.8 -0.7 46 162 A G T 3 S+ 0 0 27 -23,-2.7 2,-0.5 1,-0.2 -1,-0.3 0.360 112.9 123.3 81.7 -4.0 11.3 16.7 1.0 47 163 A E E < -D 44 0A 96 -3,-2.0 -3,-2.6 -24,-0.2 2,-0.4 -0.792 65.7-121.2 -97.4 127.3 11.4 14.6 -2.2 48 164 A M E +D 43 0A 3 -2,-0.5 29,-2.7 147,-0.4 -5,-0.2 -0.528 38.9 163.5 -71.4 120.2 13.4 11.3 -1.9 49 165 A I E S+ 0 0 48 -7,-2.7 2,-0.2 -2,-0.4 -6,-0.2 0.797 78.3 1.7-100.0 -48.0 16.3 11.2 -4.4 50 166 A E E S+D 42 0A 111 -8,-2.2 -8,-1.6 26,-0.1 2,-0.5 -0.733 73.9 172.0-144.3 90.9 18.3 8.3 -3.0 51 167 A G E -DE 41 75A 0 24,-2.8 24,-2.5 -2,-0.2 2,-0.3 -0.907 12.8-161.9-104.2 122.8 16.8 6.6 0.1 52 168 A K E -DE 40 74A 58 -12,-2.8 -12,-3.0 -2,-0.5 22,-0.2 -0.777 34.2 -93.9 -98.6 148.0 18.4 3.4 1.5 53 169 A L E +D 39 0A 33 20,-0.8 16,-2.8 -2,-0.3 2,-0.3 -0.371 58.0 164.1 -61.1 129.9 16.7 1.0 3.8 54 170 A A E -DF 38 68A 1 -16,-2.7 -16,-2.7 14,-0.3 2,-0.5 -0.918 34.3-125.6-142.5 165.3 17.5 1.9 7.4 55 171 A T E -DF 37 67A 49 12,-2.6 12,-2.0 -2,-0.3 2,-1.0 -0.980 19.6-132.0-118.1 128.9 16.4 1.2 11.0 56 172 A L E + F 0 66A 18 -20,-3.4 10,-0.2 -2,-0.5 3,-0.1 -0.704 31.2 177.9 -75.1 104.9 15.6 4.0 13.4 57 173 A M E - 0 0 94 8,-2.4 2,-0.3 -2,-1.0 -1,-0.2 0.885 55.2 -19.6 -81.0 -42.2 17.6 2.6 16.4 58 174 A S E - F 0 65A 64 7,-1.0 7,-2.5 -22,-0.0 2,-0.4 -0.984 49.7-136.4-161.8 161.6 17.0 5.4 18.9 59 175 A T E - F 0 64A 74 -2,-0.3 2,-0.5 5,-0.2 -3,-0.0 -0.998 13.6-171.9-130.6 127.1 15.9 9.0 19.4 60 176 A E E > S- F 0 63A 84 3,-2.5 3,-2.0 -2,-0.4 -2,-0.0 -0.955 77.0 -29.2-120.4 108.9 17.7 11.4 21.8 61 177 A E T 3 S- 0 0 191 -2,-0.5 -1,-0.1 1,-0.3 0, 0.0 0.912 126.6 -46.7 50.2 49.7 16.0 14.8 22.2 62 178 A G T 3 S+ 0 0 30 1,-0.2 -1,-0.3 -61,-0.1 -3,-0.0 0.287 113.1 120.7 79.7 -12.1 14.5 14.6 18.8 63 179 A R E < -F 60 0A 115 -3,-2.0 -3,-2.5 -49,-0.0 -1,-0.2 -0.778 54.5-147.2 -88.3 115.8 17.8 13.6 17.1 64 180 A P E -F 59 0A 33 0, 0.0 2,-0.5 0, 0.0 -5,-0.2 -0.515 5.3-151.1 -82.6 149.6 17.3 10.2 15.4 65 181 A H E -F 58 0A 91 -7,-2.5 -8,-2.4 -2,-0.2 -7,-1.0 -0.973 18.6-169.1-118.8 117.1 20.1 7.6 15.1 66 182 A F E -F 56 0A 31 -2,-0.5 2,-0.4 -10,-0.2 -10,-0.2 -0.776 14.8-158.3-105.6 147.3 19.8 5.4 12.0 67 183 A E E -F 55 0A 101 -12,-2.0 -12,-2.6 -2,-0.3 2,-0.2 -0.998 24.1-129.1-118.7 125.7 21.6 2.2 11.0 68 184 A L E -F 54 0A 100 -2,-0.4 -14,-0.3 -14,-0.2 -15,-0.1 -0.484 20.9-122.4 -69.5 138.9 21.7 1.3 7.3 69 185 A M - 0 0 84 -16,-2.8 -16,-0.1 -2,-0.2 -1,-0.1 -0.539 36.0 -97.5 -76.6 145.8 20.6 -2.2 6.3 70 186 A P S S+ 0 0 126 0, 0.0 2,-0.2 0, 0.0 3,-0.2 -0.358 84.0 49.5 -61.5 145.5 23.2 -4.3 4.3 71 187 A G S S- 0 0 56 1,-0.1 -19,-0.0 -3,-0.1 -3,-0.0 -0.724 85.6 -87.5 120.7-170.9 22.7 -4.3 0.5 72 188 A N + 0 0 142 -2,-0.2 2,-0.5 2,-0.0 -1,-0.1 0.231 62.0 138.2-129.8 11.0 22.2 -1.9 -2.4 73 189 A S - 0 0 37 -3,-0.2 -20,-0.8 -20,-0.0 2,-0.4 -0.487 29.1-177.6 -64.9 112.1 18.4 -1.3 -2.6 74 190 A V E -E 52 0A 73 -2,-0.5 2,-0.3 -22,-0.2 -22,-0.2 -0.929 7.6-158.7-114.5 140.8 17.9 2.4 -3.3 75 191 A Y E -E 51 0A 12 -24,-2.5 -24,-2.8 -2,-0.4 2,-0.3 -0.886 9.4-178.0-118.7 148.8 14.5 4.1 -3.6 76 192 A H - 0 0 58 -2,-0.3 -27,-0.2 -26,-0.2 2,-0.2 -0.970 44.7 -80.4-139.9 157.2 13.4 7.3 -5.2 77 193 A F + 0 0 75 -29,-2.7 119,-0.2 -2,-0.3 120,-0.2 -0.428 56.6 164.5 -54.8 121.6 10.2 9.3 -5.7 78 194 A D - 0 0 18 118,-3.4 9,-0.2 -2,-0.2 10,-0.1 -0.367 13.4-173.6-148.8 54.0 8.7 7.5 -8.6 79 195 A K - 0 0 92 116,-0.1 119,-0.1 1,-0.1 118,-0.1 -0.283 28.6-113.3 -60.6 134.8 5.0 8.4 -8.9 80 196 A S - 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