==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 11-MAR-11 3R22 . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE 6; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.ZHANG,J.FAN,J.-H.CHONG,A.CESANA,B.TAM,C.GILSON,C.BOYKIN,D. . 255 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12693.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 14.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 13 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 28.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.0 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 0 2 1 0 1 1 1 0 1 0 0 1 0 0 0 0 1 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 . 2 0 1 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 1 126 A R 0 0 130 0, 0.0 2,-0.1 0, 0.0 73,-0.0 0.000 360.0 360.0 360.0 108.5 0.5 -19.5 26.1 2 127 A Q - 0 0 189 2,-0.1 2,-0.4 73,-0.0 73,-0.1 -0.613 360.0-179.1-140.7 87.0 2.0 -16.5 24.4 3 128 A W + 0 0 88 71,-0.4 2,-0.3 -2,-0.1 73,-0.2 -0.728 7.9 176.5 -90.2 127.7 2.8 -17.7 20.9 4 129 A A > - 0 0 44 -2,-0.4 3,-2.2 71,-0.1 4,-0.1 -0.913 45.6-101.3-119.4 156.8 4.4 -15.4 18.4 5 130 A L G > S+ 0 0 77 -2,-0.3 3,-2.3 1,-0.3 72,-0.0 0.792 114.0 68.7 -44.1 -46.1 5.5 -16.6 14.9 6 131 A E G 3 S+ 0 0 127 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.507 82.6 78.3 -65.7 0.7 9.2 -16.9 15.6 7 132 A D G < S+ 0 0 33 -3,-2.2 21,-2.0 20,-0.0 2,-0.3 0.380 97.2 54.1 -79.5 0.7 8.3 -19.9 17.9 8 133 A F E < -A 27 0A 13 -3,-2.3 2,-0.4 19,-0.2 19,-0.2 -0.963 64.2-148.9-134.0 152.1 7.9 -21.9 14.7 9 134 A E E -A 26 0A 85 17,-1.4 17,-2.5 -2,-0.3 2,-0.5 -0.949 36.4-130.2-102.5 139.9 9.7 -23.0 11.5 10 135 A I E -A 25 0A 75 -2,-0.4 15,-0.3 15,-0.2 -2,-0.0 -0.785 20.6-158.9 -98.4 130.0 7.1 -23.4 8.8 11 136 A G E - 0 0 31 13,-3.1 -1,-0.1 -2,-0.5 3,-0.1 0.082 44.3 -40.8 -84.7-157.9 7.1 -26.5 6.7 12 137 A R E S- 0 0 165 1,-0.1 12,-2.4 11,-0.1 -1,-0.2 -0.267 72.2 -92.3 -63.8 152.7 5.6 -27.2 3.3 13 138 A P E -A 23 0A 79 0, 0.0 10,-0.2 0, 0.0 -1,-0.1 -0.384 29.7-165.8 -63.4 145.7 2.2 -25.7 2.4 14 139 A L E - 0 0 64 8,-3.2 2,-0.3 1,-0.4 9,-0.2 0.643 44.7-110.6-105.4 -20.1 -0.8 -27.9 3.0 15 140 A G E +A 22 0A 31 7,-0.8 7,-0.6 1,-0.1 -1,-0.4 -0.889 46.2 141.4 158.7-148.3 -3.5 -25.9 1.0 16 141 A K - 0 0 95 5,-0.3 -1,-0.1 -2,-0.3 5,-0.1 0.562 23.6-153.6-120.9-122.1 -5.9 -24.2 0.8 17 142 A G S > S+ 0 0 49 4,-0.0 3,-1.6 -2,-0.0 -2,-0.0 0.290 71.3 60.6-135.8 -91.3 -8.0 -21.4 -0.8 18 143 A K T 3 S+ 0 0 74 1,-0.2 3,-0.1 3,-0.0 0, 0.0 0.552 115.1 16.3 -17.8 -67.6 -10.7 -19.3 1.0 19 144 A F T 3 S- 0 0 70 1,-0.1 21,-0.5 20,-0.0 2,-0.4 0.368 117.7 -72.9-105.6 5.1 -8.9 -17.6 4.0 20 145 A G E < S- B 0 39A 9 -3,-1.6 2,-0.3 19,-0.2 19,-0.2 -0.989 76.1 -52.3 127.7-137.5 -5.1 -17.7 3.4 21 146 A N E - B 0 38A 58 17,-2.1 17,-3.4 -2,-0.4 2,-0.4 -0.888 30.4-130.6-139.6 166.6 -3.2 -21.0 3.8 22 147 A V E -AB 15 37A 24 -7,-0.6 -8,-3.2 -2,-0.3 -7,-0.8 -0.983 30.4-163.0-119.7 131.4 -2.5 -23.9 6.1 23 148 A Y E -AB 13 36A 60 13,-1.5 13,-3.2 -2,-0.4 2,-0.3 -0.832 24.1-123.7-117.3 151.0 1.1 -24.9 6.7 24 149 A L E + B 0 35A 39 -12,-2.4 -13,-3.1 -2,-0.3 2,-0.3 -0.635 50.9 164.8 -72.8 146.1 3.0 -27.9 8.1 25 150 A A E -AB 10 34A 2 9,-1.8 9,-3.2 -15,-0.3 2,-0.4 -0.983 32.7-133.1-169.0 166.9 5.1 -26.5 10.9 26 151 A R E -AB 9 33A 98 -17,-2.5 -17,-1.4 -2,-0.3 2,-0.7 -0.975 22.5-123.2-135.8 121.3 7.2 -27.3 14.0 27 152 A E E >>> -AB 8 32A 27 5,-2.4 4,-2.3 -2,-0.4 5,-0.8 -0.498 31.7-139.0 -64.0 106.4 7.3 -25.9 17.6 28 153 A K T 345S+ 0 0 95 -21,-2.0 -1,-0.2 -2,-0.7 -20,-0.1 0.605 90.9 33.1 -43.8 -29.6 10.9 -24.7 17.8 29 154 A Q T 345S+ 0 0 163 -22,-0.3 -1,-0.2 1,-0.1 -21,-0.1 0.712 126.2 34.0-114.9 -23.2 11.6 -25.9 21.3 30 155 A S T <45S- 0 0 72 -3,-0.8 -2,-0.2 2,-0.1 -1,-0.1 0.450 98.9-127.7-101.0 -3.6 9.5 -29.1 21.9 31 156 A K T <5 + 0 0 150 -4,-2.3 2,-0.3 1,-0.2 -3,-0.2 0.902 48.5 169.4 57.1 44.4 9.9 -30.1 18.2 32 157 A F E < -B 27 0A 91 -5,-0.8 -5,-2.4 1,-0.0 2,-0.5 -0.658 29.2-134.4 -92.6 145.1 6.1 -30.5 17.9 33 158 A I E +B 26 0A 72 -2,-0.3 54,-0.4 -7,-0.2 2,-0.3 -0.839 37.4 149.4-105.1 131.1 4.4 -31.0 14.6 34 159 A L E -B 25 0A 5 -9,-3.2 -9,-1.8 -2,-0.5 2,-0.5 -0.983 48.2-106.0-155.1 158.6 1.4 -29.1 13.7 35 160 A A E -BC 24 85A 8 50,-2.0 50,-3.5 -2,-0.3 2,-0.6 -0.781 31.1-161.3 -83.3 125.8 -0.8 -27.5 11.1 36 161 A L E -BC 23 84A 0 -13,-3.2 -13,-1.5 -2,-0.5 2,-0.3 -0.829 2.3-158.8-119.8 89.1 -0.5 -23.7 11.2 37 162 A K E -BC 22 83A 21 46,-1.4 46,-1.9 -2,-0.6 2,-0.5 -0.539 6.9-160.1 -54.8 120.9 -3.4 -22.0 9.5 38 163 A V E -BC 21 82A 19 -17,-3.4 -17,-2.1 -2,-0.3 2,-0.5 -0.956 12.2-179.9-113.4 113.6 -2.4 -18.5 8.5 39 164 A L E -BC 20 81A 3 42,-2.3 42,-2.2 -2,-0.5 -19,-0.2 -0.920 26.3-128.1-120.7 110.9 -5.3 -16.1 7.8 40 165 A F > - 0 0 89 -21,-0.5 3,-0.8 -2,-0.5 4,-0.3 -0.304 4.3-147.7 -59.6 121.7 -4.9 -12.5 6.8 41 166 A K G >> S+ 0 0 36 1,-0.2 3,-0.9 2,-0.2 4,-0.9 0.775 97.5 74.8 -56.5 -27.1 -7.0 -10.1 9.1 42 167 A A G 34 S+ 0 0 58 1,-0.2 4,-0.5 2,-0.1 -1,-0.2 0.938 103.7 28.5 -42.1 -63.7 -7.1 -8.3 5.8 43 168 A Q G <4 S+ 0 0 79 -3,-0.8 -1,-0.2 -24,-0.2 -2,-0.2 0.183 108.7 79.6 -97.7 19.0 -9.6 -10.6 4.1 44 169 A L T X4>S+ 0 0 1 -3,-0.9 5,-1.9 -4,-0.3 3,-0.8 0.957 108.3 15.4 -89.0 -73.1 -11.3 -11.6 7.3 45 170 A E T 3<5S+ 0 0 119 -4,-0.9 -2,-0.1 2,-0.3 -3,-0.1 0.657 115.0 76.5 -74.1 -17.1 -13.7 -8.9 8.4 46 171 A K T 3 5S+ 0 0 79 -4,-0.5 -1,-0.2 -5,-0.5 -2,-0.1 0.349 112.0 28.4 -67.7 9.6 -13.3 -7.6 4.8 47 172 A A T < 5S- 0 0 72 -3,-0.8 -2,-0.3 0, 0.0 -1,-0.2 0.297 113.3-119.3-147.1 -10.8 -15.6 -10.6 4.4 48 173 A G T 5S+ 0 0 58 -4,-0.2 4,-0.4 1,-0.1 -3,-0.2 0.609 79.2 116.2 77.8 14.8 -17.4 -10.6 7.7 49 174 A V < + 0 0 28 -5,-1.9 3,-0.3 -6,-0.2 -4,-0.2 0.731 48.0 93.5 -85.9 -21.7 -16.4 -14.1 8.9 50 175 A E S >> S+ 0 0 64 -6,-0.4 4,-2.0 1,-0.2 3,-1.9 0.816 88.4 38.1 -36.6 -63.3 -14.4 -12.8 12.0 51 176 A H H 3> S+ 0 0 160 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.871 113.6 58.1 -68.0 -32.2 -17.0 -13.0 14.8 52 177 A Q H 34 S+ 0 0 64 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.2 0.176 109.2 48.0 -77.0 16.9 -18.3 -16.2 13.2 53 178 A L H X> S+ 0 0 18 -3,-1.9 3,-1.5 3,-0.1 4,-1.4 0.586 101.8 58.6-119.6 -41.0 -14.7 -17.5 13.7 54 179 A R H >X S+ 0 0 40 -4,-2.0 4,-2.9 1,-0.3 3,-2.2 0.992 108.0 47.6 -49.2 -65.7 -14.1 -16.5 17.3 55 180 A R H 3< S+ 0 0 51 -4,-1.4 -1,-0.3 1,-0.3 -4,-0.1 -0.107 110.8 54.8 -76.3 42.6 -17.1 -18.6 18.4 56 181 A E H <> S+ 0 0 16 -2,-1.9 4,-1.3 -3,-1.5 -1,-0.3 0.244 106.5 46.9-140.2 -20.1 -15.6 -21.4 16.3 57 182 A V H S+ 0 0 32 1,-0.2 4,-0.6 -5,-0.2 -1,-0.2 0.861 115.1 52.3 -62.9 -40.0 -16.2 -24.4 19.8 60 185 A Q H < S+ 0 0 2 -4,-1.3 11,-0.6 1,-0.2 -1,-0.2 0.852 108.1 47.7 -66.7 -37.1 -13.0 -26.0 18.5 61 186 A S H < S+ 0 0 21 -4,-2.5 -1,-0.2 -3,-0.3 -2,-0.2 0.788 107.1 47.0 -87.7 -35.2 -10.8 -25.8 21.6 62 187 A H H < S+ 0 0 145 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.1 0.570 95.8 93.4 -88.5 -9.0 -12.9 -27.1 24.5 63 188 A L < - 0 0 18 -4,-0.6 8,-0.2 -5,-0.2 5,-0.0 -0.402 51.3-180.0 -73.8 158.3 -14.1 -30.1 22.5 64 189 A R + 0 0 128 -2,-0.1 6,-0.1 6,-0.1 5,-0.1 -0.268 20.5 136.6-167.5 72.4 -12.2 -33.4 22.7 65 190 A H > - 0 0 15 1,-0.1 3,-0.7 4,-0.1 53,-0.0 -0.740 55.2-127.1 -97.4 160.9 -13.1 -36.7 20.8 66 191 A P T 3 S+ 0 0 104 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.787 111.7 59.9 -74.4 -24.2 -10.3 -38.6 19.2 67 192 A N T 3 S+ 0 0 25 47,-0.1 80,-1.6 79,-0.1 2,-0.4 -0.039 95.4 75.6 -86.6 27.1 -12.4 -38.4 15.9 68 193 A I B < S-e 147 0B 5 -3,-0.7 80,-0.2 78,-0.3 2,-0.1 -0.997 89.0-113.7-140.0 130.8 -12.3 -34.6 15.9 69 194 A L - 0 0 11 78,-3.4 2,-0.3 -2,-0.4 -4,-0.1 -0.466 37.1-131.7 -67.5 138.5 -9.3 -32.5 14.9 70 195 A R - 0 0 80 -2,-0.1 16,-2.6 -4,-0.1 2,-0.5 -0.719 7.8-145.7 -97.0 141.6 -8.0 -30.6 18.0 71 196 A L E -D 85 0A 2 -11,-0.6 14,-0.2 -2,-0.3 3,-0.1 -0.932 12.5-171.8-103.0 126.3 -7.2 -26.9 18.1 72 197 A Y E - 0 0 95 12,-2.4 2,-0.2 -2,-0.5 -1,-0.2 0.982 51.6 -52.5 -83.0 -62.5 -4.3 -26.1 20.4 73 198 A G E -D 84 0A 13 11,-0.9 11,-1.4 2,-0.0 2,-0.3 -0.687 50.5-142.4-153.5-155.2 -4.1 -22.3 20.7 74 199 A Y E +D 83 0A 147 -2,-0.2 -71,-0.4 9,-0.2 2,-0.3 -0.959 16.5 163.4-169.9 179.9 -3.9 -19.2 18.6 75 200 A F E -D 82 0A 18 7,-1.1 7,-3.3 -2,-0.3 2,-0.3 -0.957 11.2-157.8 170.3 174.8 -2.5 -15.7 18.0 76 201 A H E -D 81 0A 131 -2,-0.3 5,-0.2 5,-0.3 2,-0.2 -0.929 4.0-171.5-160.1-176.8 -1.9 -12.9 15.6 77 202 A D - 0 0 71 2,-1.4 5,-0.0 3,-0.9 -73,-0.0 -0.455 67.8 -19.4-149.9-136.3 0.2 -9.8 14.9 78 203 A A S S- 0 0 95 -2,-0.2 2,-0.2 -37,-0.0 -2,-0.0 0.952 131.0 -2.4 -49.1 -63.8 0.1 -7.0 12.3 79 204 A T S S+ 0 0 47 1,-0.1 -2,-1.4 -38,-0.1 -39,-0.1 -0.465 111.6 34.4-109.7-170.6 -2.1 -8.9 9.9 80 205 A R - 0 0 49 -2,-0.2 -3,-0.9 -4,-0.2 -40,-0.3 0.835 64.0-117.7 42.4 131.1 -3.5 -12.5 10.1 81 206 A V E -CD 39 76A 22 -42,-2.2 -42,-2.3 -5,-0.2 2,-0.4 -0.556 27.8-141.2 -81.1 160.6 -4.7 -14.7 12.9 82 207 A Y E -CD 38 75A 5 -7,-3.3 -7,-1.1 -2,-0.2 2,-0.6 -0.964 8.6-159.6-130.8 116.4 -2.8 -17.9 13.4 83 208 A L E -CD 37 74A 0 -46,-1.9 -46,-1.4 -2,-0.4 2,-0.9 -0.851 8.9-150.5 -96.6 121.2 -4.5 -21.1 14.3 84 209 A I E -CD 36 73A 8 -11,-1.4 -12,-2.4 -2,-0.6 -11,-0.9 -0.813 30.4-173.9 -91.4 108.0 -2.2 -23.7 15.9 85 210 A L E -CD 35 71A 11 -50,-3.5 -50,-2.0 -2,-0.9 -14,-0.2 -0.784 31.3-105.6-115.3 146.3 -3.7 -27.0 14.8 86 211 A E - 0 0 26 -16,-2.6 2,-0.4 -2,-0.3 -51,-0.1 -0.266 47.1-119.5 -51.8 151.7 -3.4 -30.7 15.4 87 212 A Y - 0 0 60 -54,-0.4 -1,-0.1 -53,-0.1 -54,-0.1 -0.853 15.1-154.3-110.1 137.3 -1.8 -32.3 12.4 88 213 A A > - 0 0 9 -2,-0.4 3,-1.5 1,-0.2 51,-0.3 -0.812 10.5-168.8-115.7 91.7 -3.4 -35.0 10.3 89 214 A P T 3 S+ 0 0 55 0, 0.0 -1,-0.2 0, 0.0 51,-0.2 0.771 78.8 54.7 -54.8 -46.6 -0.5 -36.9 8.7 90 215 A L T 3 S- 0 0 97 49,-0.9 50,-0.1 50,-0.6 51,-0.0 0.075 103.8-129.6 -82.1 19.9 -2.5 -39.0 6.2 91 216 A G < - 0 0 29 -3,-1.5 48,-1.7 48,-0.3 -1,-0.2 -0.021 40.3 -33.2 70.5-167.9 -4.2 -36.0 4.5 92 217 A T B > -F 138 0B 42 46,-0.2 4,-0.7 1,-0.1 46,-0.2 -0.273 44.0-124.1 -90.1 173.1 -7.8 -35.3 3.7 93 218 A V H > S+ 0 0 0 44,-1.2 4,-1.0 41,-1.1 5,-0.2 0.800 109.0 67.0 -88.9 -30.4 -10.6 -37.8 2.7 94 219 A Y H > S+ 0 0 99 40,-1.5 4,-1.4 1,-0.2 3,-0.4 0.887 104.2 43.8 -47.2 -45.2 -11.2 -35.7 -0.4 95 220 A R H > S+ 0 0 137 1,-0.2 4,-1.3 39,-0.2 -1,-0.2 0.750 108.4 56.6 -80.4 -23.6 -7.8 -36.8 -1.7 96 221 A E H X S+ 0 0 35 -4,-0.7 4,-1.7 2,-0.2 -1,-0.2 0.682 108.9 49.7 -75.6 -16.2 -8.1 -40.4 -0.6 97 222 A L H X S+ 0 0 11 -4,-1.0 4,-0.9 -3,-0.4 -2,-0.2 0.809 109.0 47.7 -95.7 -40.1 -11.2 -40.6 -2.7 98 223 A Q H < S+ 0 0 98 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.819 113.9 51.4 -63.1 -36.5 -9.8 -39.1 -5.8 99 224 A K H < S+ 0 0 127 -4,-1.3 -2,-0.2 1,-0.2 -3,-0.2 0.961 127.8 20.4 -70.2 -50.9 -6.9 -41.5 -5.4 100 225 A L H < S- 0 0 77 -4,-1.7 2,-3.6 -5,-0.1 -2,-0.2 0.315 90.8-148.4-100.7 6.0 -9.1 -44.6 -5.0 101 226 A S S < S+ 0 0 74 -4,-0.9 2,-0.3 91,-0.1 -4,-0.1 0.114 75.9 22.4 48.9 -28.4 -12.2 -42.9 -6.7 102 227 A K S S- 0 0 98 -2,-3.6 2,-0.3 -6,-0.2 88,-0.2 -0.951 79.2-123.1-148.5 167.2 -14.6 -45.1 -4.5 103 228 A F - 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