==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 12-MAR-12 4E47 . COMPND 2 MOLECULE: HISTONE-LYSINE N-METHYLTRANSFERASE SETD7; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.R.WALKER,H.OUYANG,A.DONG,P.FISH,A.COOK,D.BARSYTE,M.VEDADI, . 990 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48840.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 597 60.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 284 28.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 16 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 16 1.6 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 . 74 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 8.2 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 1 2 5 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 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 . 4 12 7 6 11 4 0 8 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 8 0 4 0 4 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 1 116 A H 0 0 96 0, 0.0 2,-0.1 0, 0.0 16,-0.0 0.000 360.0 360.0 360.0 157.6 -2.5 51.3 28.2 2 117 A G - 0 0 56 16,-0.1 2,-0.3 62,-0.0 61,-0.0 -0.350 360.0-164.0 -74.8 151.6 -3.1 49.4 24.9 3 118 A V - 0 0 41 14,-0.2 2,-0.4 -2,-0.1 14,-0.3 -0.996 5.9-151.9-138.9 135.5 -6.3 47.3 24.2 4 119 A C E -A 16 0A 51 12,-3.0 12,-2.2 -2,-0.3 2,-0.5 -0.911 3.7-163.0-110.1 134.8 -6.9 44.7 21.5 5 120 A W E -A 15 0A 61 -2,-0.4 2,-0.7 10,-0.2 10,-0.2 -0.989 5.0-167.9-117.7 115.7 -10.4 44.0 20.0 6 121 A I E -A 14 0A 70 8,-3.1 8,-2.2 -2,-0.5 2,-0.5 -0.912 7.1-163.3-106.0 105.5 -10.6 40.7 18.2 7 122 A Y E -A 13 0A 116 -2,-0.7 6,-0.2 6,-0.2 5,-0.1 -0.781 7.9-145.2 -92.2 133.0 -13.8 40.5 16.2 8 123 A Y > - 0 0 59 4,-2.6 3,-2.4 -2,-0.5 -2,-0.0 -0.527 32.7-105.0 -82.5 159.4 -14.9 37.1 15.0 9 124 A P T 3 S+ 0 0 140 0, 0.0 -1,-0.1 0, 0.0 184,-0.0 0.791 119.7 64.2 -55.2 -24.6 -16.7 36.9 11.5 10 125 A D T 3 S- 0 0 9 1,-0.1 116,-0.2 2,-0.1 3,-0.1 0.499 119.6-105.6 -77.4 -6.4 -20.0 36.4 13.5 11 126 A G S < S+ 0 0 30 -3,-2.4 25,-0.1 1,-0.4 -1,-0.1 0.179 83.7 117.3 102.0 -19.3 -19.8 39.9 15.1 12 127 A G - 0 0 0 182,-0.1 -4,-2.6 -5,-0.1 -1,-0.4 -0.319 46.7-160.1 -75.2 165.6 -18.8 38.8 18.6 13 128 A S E -AB 7 32A 2 19,-2.7 19,-3.5 -6,-0.2 2,-0.4 -0.997 24.5-137.0-149.7 158.2 -15.4 39.9 20.0 14 129 A L E -AB 6 31A 8 -8,-2.2 -8,-3.1 -2,-0.3 2,-0.4 -0.934 33.2-173.3-109.9 128.5 -12.7 39.3 22.6 15 130 A V E +AB 5 30A 1 15,-3.3 15,-2.2 -2,-0.4 2,-0.3 -0.986 21.4 96.5-134.0 132.9 -11.4 42.6 24.2 16 131 A G E -A 4 0A 4 -12,-2.2 -12,-3.0 -2,-0.4 2,-0.4 -0.956 68.6 -69.5 171.5 171.4 -8.6 43.4 26.6 17 132 A E - 0 0 106 11,-0.3 8,-0.3 -2,-0.3 -14,-0.2 -0.669 54.1-131.0 -78.1 127.2 -5.1 44.5 27.3 18 133 A V - 0 0 56 -2,-0.4 6,-0.2 6,-0.1 -16,-0.1 -0.459 17.3-119.9 -79.6 158.6 -2.7 41.8 26.0 19 134 A N > - 0 0 43 4,-2.8 3,-1.5 -2,-0.1 -1,-0.1 -0.107 42.8 -81.6 -80.4-172.2 0.2 40.5 28.2 20 135 A E T 3 S+ 0 0 188 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.607 131.3 55.0 -70.4 -12.3 4.0 40.7 27.3 21 136 A D T 3 S- 0 0 131 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.188 121.3-107.4-102.0 13.2 3.7 37.6 25.1 22 137 A G S < S+ 0 0 56 -3,-1.5 2,-0.3 1,-0.2 -2,-0.1 0.687 75.9 141.5 67.8 22.7 0.9 39.3 23.1 23 138 A E - 0 0 72 2,-0.1 -4,-2.8 1,-0.0 2,-2.1 -0.733 64.6-118.8 -99.9 147.9 -1.6 36.9 24.7 24 139 A M + 0 0 9 -2,-0.3 23,-3.0 -6,-0.2 2,-0.4 -0.549 65.2 140.2 -80.6 72.4 -5.2 37.7 25.9 25 140 A T + 0 0 42 -2,-2.1 2,-0.3 -8,-0.3 20,-0.2 -0.991 23.2 77.5-126.8 125.5 -4.3 36.8 29.5 26 141 A G E S- C 0 44A 23 18,-2.2 18,-2.5 -2,-0.4 3,-0.4 -0.950 78.0 -85.9 162.9-176.7 -5.5 38.7 32.5 27 142 A E E S+ 0 0 124 -2,-0.3 16,-0.1 16,-0.2 -1,-0.1 0.376 114.0 53.7 -96.9 -5.5 -8.3 39.5 35.0 28 143 A K E S+ 0 0 159 -11,-0.1 -11,-0.3 16,-0.1 2,-0.3 -0.256 76.1 121.7-130.0 45.1 -9.9 42.3 32.9 29 144 A I E - C 0 42A 3 13,-2.4 13,-3.4 -3,-0.4 2,-0.3 -0.710 39.8-165.4-104.4 156.1 -10.6 40.6 29.6 30 145 A A E -BC 15 41A 0 -15,-2.2 -15,-3.3 -2,-0.3 2,-0.5 -0.995 23.6-143.0-145.6 150.7 -14.1 40.3 28.1 31 146 A Y E -BC 14 40A 2 9,-2.1 9,-2.4 -2,-0.3 2,-0.5 -0.937 26.0-158.4-102.4 132.2 -16.0 38.5 25.5 32 147 A V E -BC 13 39A 2 -19,-3.5 -19,-2.7 -2,-0.5 7,-0.2 -0.967 11.8-131.5-117.0 128.7 -18.6 40.9 23.9 33 148 A Y > - 0 0 1 5,-3.0 3,-2.1 -2,-0.5 4,-0.1 -0.189 35.7 -91.3 -69.9 172.3 -21.6 39.4 22.1 34 149 A P T 3 S+ 0 0 28 0, 0.0 -1,-0.1 0, 0.0 -22,-0.0 0.672 122.5 68.1 -62.5 -15.9 -22.7 40.6 18.6 35 150 A D T 3 S- 0 0 43 3,-0.1 -23,-0.1 1,-0.1 -2,-0.1 0.507 102.6-132.6 -75.9 -6.0 -25.1 43.2 20.2 36 151 A E S < S+ 0 0 114 -3,-2.1 3,-0.1 2,-0.2 -1,-0.1 0.753 92.7 69.1 58.1 28.3 -21.9 45.0 21.3 37 152 A R S S+ 0 0 117 1,-0.3 20,-3.0 -4,-0.1 2,-0.3 0.551 74.1 76.6-136.5 -50.4 -23.5 45.4 24.8 38 153 A T E + D 0 56A 28 18,-0.2 -5,-3.0 16,-0.0 2,-0.3 -0.604 65.0 172.7 -74.5 129.0 -23.8 41.9 26.5 39 154 A A E -CD 32 55A 0 16,-2.5 16,-2.6 -2,-0.3 2,-0.5 -0.953 38.2-143.6-142.0 157.6 -20.4 40.8 27.8 40 155 A L E -CD 31 54A 0 -9,-2.4 -9,-2.1 -2,-0.3 2,-0.4 -0.979 35.1-170.1-122.6 107.2 -18.7 38.2 29.9 41 156 A Y E +CD 30 53A 58 12,-3.2 12,-2.7 -2,-0.5 2,-0.3 -0.884 32.0 44.7-112.5 134.9 -15.9 40.0 31.9 42 157 A G E S+CD 29 52A 8 -13,-3.4 -13,-2.4 -2,-0.4 2,-0.5 -0.968 80.9 25.4 152.4-134.5 -13.1 38.6 33.9 43 158 A K E + D 0 51A 77 8,-1.4 7,-2.6 -2,-0.3 8,-2.1 -0.615 54.0 165.7 -81.5 120.2 -10.3 36.0 33.9 44 159 A F E -CD 26 49A 2 -18,-2.5 -18,-2.2 -2,-0.5 2,-0.4 -0.954 21.8-155.7-128.8 147.8 -9.1 34.7 30.6 45 160 A I E > S- D 0 48A 85 3,-2.6 3,-2.2 -2,-0.3 -20,-0.2 -0.986 81.9 -22.6-126.5 116.6 -5.9 32.7 29.8 46 161 A D T 3 S- 0 0 104 -2,-0.4 -21,-0.2 1,-0.3 -1,-0.1 0.875 130.6 -48.1 49.1 43.2 -4.5 33.1 26.2 47 162 A G T 3 S+ 0 0 22 -23,-3.0 2,-0.5 1,-0.2 -1,-0.3 0.471 112.1 125.7 79.4 2.4 -8.1 34.1 25.1 48 163 A E E < -D 45 0A 92 -3,-2.2 -3,-2.6 -24,-0.2 2,-0.5 -0.846 64.4-121.5 -97.9 129.5 -9.8 31.2 26.9 49 164 A M E +D 44 0A 4 -2,-0.5 29,-3.0 147,-0.4 -5,-0.2 -0.533 38.7 163.8 -73.4 115.9 -12.5 32.2 29.3 50 165 A I E S+ 0 0 66 -7,-2.6 2,-0.3 -2,-0.5 -6,-0.2 0.855 80.0 1.8 -95.8 -46.7 -11.8 30.9 32.9 51 166 A E E S+D 43 0A 86 -8,-2.1 -8,-1.4 26,-0.1 2,-0.7 -0.824 70.4 179.1-147.3 98.2 -14.3 33.1 34.8 52 167 A G E -DE 42 76A 0 24,-3.3 24,-2.0 -2,-0.3 2,-0.3 -0.901 13.5-156.7-106.1 112.0 -16.5 35.4 32.7 53 168 A K E -DE 41 75A 82 -12,-2.7 -12,-3.2 -2,-0.7 22,-0.2 -0.692 29.7-102.1 -88.0 140.0 -19.0 37.4 34.8 54 169 A L E +D 40 0A 5 20,-2.5 16,-2.9 -2,-0.3 2,-0.3 -0.358 59.6 153.7 -60.1 129.6 -22.1 38.7 33.1 55 170 A A E -DF 39 69A 1 -16,-2.6 -16,-2.5 14,-0.3 2,-0.4 -0.939 40.6-119.4-152.3 170.0 -21.7 42.4 32.4 56 171 A T E -DF 38 68A 25 12,-2.5 12,-2.0 -2,-0.3 2,-0.9 -0.979 21.5-130.1-119.0 135.3 -22.8 45.3 30.1 57 172 A L E + F 0 67A 12 -20,-3.0 10,-0.2 -2,-0.4 3,-0.1 -0.776 32.6 177.8 -81.8 106.3 -20.4 47.3 27.8 58 173 A M E - 0 0 75 8,-2.7 2,-0.3 -2,-0.9 -1,-0.2 0.856 56.8 -25.7 -79.4 -43.9 -21.5 50.8 29.0 59 174 A S E - F 0 66A 67 7,-1.1 7,-3.1 -22,-0.0 2,-0.4 -0.958 50.7-132.3-163.1 167.6 -19.1 52.9 26.9 60 175 A T E - F 0 65A 66 -2,-0.3 2,-0.5 5,-0.3 -3,-0.0 -0.986 12.8-164.0-131.3 135.1 -15.8 52.9 25.1 61 176 A E E > S- F 0 64A 142 3,-2.2 3,-1.9 -2,-0.4 -2,-0.0 -0.951 78.5 -27.3-123.3 105.9 -13.2 55.7 25.5 62 177 A E T 3 S- 0 0 188 -2,-0.5 -1,-0.1 1,-0.3 0, 0.0 0.917 128.6 -45.9 54.8 45.6 -10.5 55.6 22.7 63 178 A G T 3 S+ 0 0 30 1,-0.2 -1,-0.3 -61,-0.0 -61,-0.0 0.330 113.4 122.7 80.1 -6.8 -10.9 51.9 22.4 64 179 A R E < -F 61 0A 117 -3,-1.9 -3,-2.2 -49,-0.0 -1,-0.2 -0.799 56.8-140.6 -89.8 109.2 -10.9 51.3 26.2 65 180 A P E -F 60 0A 33 0, 0.0 2,-0.5 0, 0.0 -5,-0.3 -0.423 6.0-150.5 -71.4 145.5 -14.1 49.5 27.2 66 181 A H E -F 59 0A 103 -7,-3.1 -8,-2.7 -2,-0.1 -7,-1.1 -0.970 19.7-169.7-113.6 115.0 -16.1 50.4 30.4 67 182 A F E -F 57 0A 25 -2,-0.5 2,-0.4 -10,-0.2 -10,-0.2 -0.820 15.4-159.8-105.9 149.6 -18.0 47.4 31.8 68 183 A E E -F 56 0A 109 -12,-2.0 -12,-2.5 -2,-0.3 2,-0.1 -0.998 27.1-124.2-123.0 125.8 -20.6 47.3 34.6 69 184 A L E -F 55 0A 86 -2,-0.4 -14,-0.3 -14,-0.2 -15,-0.1 -0.455 23.2-124.9 -68.6 140.0 -21.1 43.8 36.2 70 185 A M - 0 0 32 -16,-2.9 3,-0.5 4,-0.1 4,-0.4 -0.764 25.8-118.1 -86.4 126.8 -24.7 42.6 36.1 71 186 A P S S+ 0 0 70 0, 0.0 496,-0.1 0, 0.0 3,-0.1 -0.197 88.4 69.7 -55.9 152.7 -26.1 41.6 39.5 72 187 A G S S- 0 0 14 517,-0.3 496,-0.2 1,-0.1 518,-0.1 0.363 98.7-108.0 117.3 -3.1 -27.1 38.0 39.9 73 188 A N + 0 0 64 -3,-0.5 2,-0.6 1,-0.2 -1,-0.1 0.860 52.1 171.1 50.6 42.7 -23.7 36.2 40.0 74 189 A S + 0 0 10 -4,-0.4 -20,-2.5 -20,-0.1 2,-0.3 -0.831 11.3 177.9 -84.3 119.4 -24.1 34.7 36.5 75 190 A V E -E 53 0A 44 -2,-0.6 2,-0.3 -22,-0.2 -22,-0.2 -0.975 8.6-175.1-126.0 141.4 -20.6 33.2 35.8 76 191 A Y E -E 52 0A 3 -24,-2.0 -24,-3.3 -2,-0.3 2,-0.3 -0.915 4.7-173.5-135.1 159.8 -19.4 31.2 32.7 77 192 A H - 0 0 81 -2,-0.3 -27,-0.2 -26,-0.2 2,-0.1 -0.961 44.3 -75.5-147.4 162.0 -16.3 29.4 31.6 78 193 A F + 0 0 61 -29,-3.0 119,-0.2 -2,-0.3 120,-0.2 -0.398 54.2 163.0 -58.4 125.7 -14.9 27.7 28.4 79 194 A D - 0 0 3 118,-3.4 9,-0.1 -2,-0.1 -1,-0.1 -0.212 12.7-176.0-149.2 48.1 -16.8 24.3 28.4 80 195 A K - 0 0 82 116,-0.1 119,-0.1 1,-0.1 118,-0.1 -0.257 27.4-118.9 -56.3 130.3 -16.4 22.9 24.9 81 196 A S - 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