==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 17-SEP-10 3OW4 . COMPND 2 MOLECULE: RAC-ALPHA SERINE/THREONINE-PROTEIN KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.DIZON,W.WU,G.P.A.VIGERS,B.J.BRANDHUBER . 656 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30962.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 412 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 98 14.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 42 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 25.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.1 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 3 4 3 0 2 0 4 0 2 0 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 6 4 2 0 2 1 4 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 . 2 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 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 1 144 A R 0 0 192 0, 0.0 2,-0.2 0, 0.0 315,-0.1 0.000 360.0 360.0 360.0 141.8 23.7 8.7 -0.8 2 145 A V - 0 0 11 71,-0.1 2,-0.2 2,-0.0 71,-0.1 -0.654 360.0-156.3-130.1 169.7 20.3 6.8 -1.1 3 146 A T > - 0 0 77 -2,-0.2 3,-1.1 71,-0.1 4,-0.1 -0.737 49.1 -80.6-133.5-177.0 16.5 6.7 -1.6 4 147 A M G > S+ 0 0 52 1,-0.2 3,-0.7 -2,-0.2 72,-0.0 0.738 121.0 59.4 -56.4 -27.6 13.5 4.3 -0.8 5 148 A N G 3 S+ 0 0 111 1,-0.2 -1,-0.2 3,-0.0 22,-0.1 0.638 82.7 76.2 -85.7 -18.6 14.2 2.2 -3.9 6 149 A E G < S+ 0 0 70 -3,-1.1 21,-2.5 20,-0.1 22,-0.5 0.410 95.0 64.7 -74.6 3.1 17.8 1.0 -3.1 7 150 A F E < S-A 26 0A 3 -3,-0.7 2,-0.3 19,-0.3 19,-0.2 -0.963 71.6-141.0-130.7 140.0 16.3 -1.4 -0.5 8 151 A E E -A 25 0A 89 17,-2.2 17,-1.9 -2,-0.3 2,-0.8 -0.831 24.0-132.1 -93.5 146.4 14.0 -4.5 -0.6 9 152 A Y E +A 24 0A 68 -2,-0.3 295,-0.2 15,-0.2 15,-0.2 -0.759 35.2 163.8-108.9 90.8 11.4 -4.7 2.2 10 153 A L E - 0 0 63 13,-1.2 2,-0.3 -2,-0.8 14,-0.2 0.781 53.8 -1.7 -83.9 -34.5 11.4 -8.2 3.7 11 154 A K E -A 23 0A 70 12,-1.1 12,-3.0 292,-0.1 2,-0.3 -0.985 60.6-115.3-163.7 143.8 9.6 -8.2 7.1 12 155 A L E +A 22 0A 7 288,-0.4 10,-0.2 287,-0.4 3,-0.1 -0.695 25.8 176.4 -90.2 137.2 7.8 -6.0 9.6 13 156 A L E - 0 0 17 8,-3.2 283,-0.3 1,-0.4 2,-0.3 0.627 62.9 -13.7-116.0 -23.0 9.5 -5.6 13.1 14 157 A G E -A 21 0A 16 7,-0.9 7,-2.1 285,-0.2 -1,-0.4 -0.935 48.0-159.6-173.3 159.7 7.3 -3.1 14.9 15 158 A K E +A 20 0A 105 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.981 25.4 151.2-145.7 136.4 4.5 -0.6 14.3 16 159 A G E > -A 19 0A 50 3,-2.7 3,-0.7 -2,-0.3 -2,-0.0 -0.859 60.2 -67.6-151.9-174.9 3.6 2.2 16.7 17 160 A T T 3 S+ 0 0 97 -2,-0.3 25,-0.1 1,-0.2 -1,-0.1 0.925 127.7 40.9 -46.0 -54.3 2.1 5.7 16.7 18 161 A F T 3 S- 0 0 77 1,-0.1 21,-1.9 20,-0.1 2,-0.3 0.618 123.0 -68.7 -81.6 -14.0 5.0 7.4 14.8 19 162 A G E < -AB 16 38A 14 -3,-0.7 -3,-2.7 19,-0.2 2,-0.3 -0.980 52.8 -71.7 163.9-154.2 5.7 4.7 12.2 20 163 A K E -AB 15 37A 38 17,-1.8 17,-2.9 -2,-0.3 2,-0.4 -0.875 22.5-133.8-135.7 167.5 7.1 1.2 11.5 21 164 A V E -AB 14 36A 42 -7,-2.1 -8,-3.2 -2,-0.3 -7,-0.9 -0.971 24.0-168.4-128.7 116.3 10.4 -0.6 11.5 22 165 A I E -AB 12 35A 0 13,-2.5 13,-2.8 -2,-0.4 2,-0.4 -0.864 24.1-127.2-108.2 134.1 11.1 -2.9 8.5 23 166 A L E -AB 11 34A 0 -12,-3.0 -13,-1.2 -2,-0.4 -12,-1.1 -0.688 43.4-169.7 -69.0 126.9 13.9 -5.5 8.2 24 167 A V E -AB 9 33A 0 9,-2.9 9,-2.0 -2,-0.4 2,-0.4 -0.861 28.1-145.3-127.0 154.8 15.6 -4.5 4.8 25 168 A K E -AB 8 32A 57 -17,-1.9 -17,-2.2 -2,-0.3 2,-0.6 -0.963 24.9-134.1-108.6 131.8 18.1 -5.8 2.3 26 169 A E E >> -A 7 0A 6 5,-2.3 4,-3.2 -2,-0.4 3,-0.7 -0.842 12.1-148.0 -87.0 122.5 20.2 -3.1 0.7 27 170 A K T 34 S+ 0 0 103 -21,-2.5 -1,-0.2 -2,-0.6 -20,-0.1 0.927 91.6 49.5 -52.3 -56.5 20.3 -3.9 -3.1 28 171 A A T 34 S+ 0 0 93 -22,-0.5 -1,-0.2 1,-0.2 -21,-0.1 0.700 129.2 19.1 -60.5 -22.3 23.8 -2.5 -3.9 29 172 A T T <4 S- 0 0 59 -3,-0.7 -2,-0.2 2,-0.2 -1,-0.2 0.622 87.8-127.4-127.0 -23.2 25.5 -4.5 -1.0 30 173 A G < + 0 0 32 -4,-3.2 2,-0.4 1,-0.3 -3,-0.1 0.480 61.2 141.8 81.0 1.5 23.3 -7.4 0.2 31 174 A R - 0 0 143 -5,-0.3 -5,-2.3 -6,-0.1 2,-0.4 -0.640 49.1-132.2 -82.8 131.8 23.6 -6.0 3.7 32 175 A Y E +B 25 0A 57 -2,-0.4 54,-0.6 -7,-0.2 -7,-0.2 -0.673 32.1 172.5 -81.0 132.4 20.5 -6.3 5.9 33 176 A Y E -BC 24 85A 24 -9,-2.0 -9,-2.9 -2,-0.4 2,-0.5 -0.766 32.7-113.4-132.3 174.4 19.6 -3.1 7.8 34 177 A A E -BC 23 84A 11 50,-3.4 50,-2.5 -2,-0.2 2,-0.7 -0.974 26.9-156.6-115.3 117.6 16.7 -1.9 10.0 35 178 A M E -BC 22 83A 0 -13,-2.8 -13,-2.5 -2,-0.5 2,-0.6 -0.863 6.2-162.2-102.6 115.1 14.6 0.9 8.6 36 179 A K E -BC 21 82A 35 46,-2.1 46,-2.4 -2,-0.7 2,-0.6 -0.831 15.4-167.0 -84.0 121.4 12.7 3.1 11.0 37 180 A I E -BC 20 81A 3 -17,-2.9 -17,-1.8 -2,-0.6 2,-0.3 -0.943 2.7-168.4-120.0 108.0 10.2 4.8 8.8 38 181 A L E -BC 19 80A 10 42,-3.1 42,-2.3 -2,-0.6 2,-0.8 -0.738 23.7-125.6 -99.9 144.9 8.4 7.8 10.3 39 182 A K E >> - C 0 79A 56 -21,-1.9 4,-1.8 -2,-0.3 3,-0.5 -0.816 16.4-148.9 -89.8 109.4 5.3 9.5 8.9 40 183 A K H 3> S+ 0 0 6 38,-1.2 4,-2.5 -2,-0.8 5,-0.4 0.868 96.3 60.1 -46.2 -48.7 6.3 13.2 8.6 41 184 A E H 3> S+ 0 0 131 37,-0.3 4,-3.2 1,-0.2 -1,-0.2 0.929 108.3 44.3 -37.4 -61.4 2.6 14.2 9.2 42 185 A V H <> S+ 0 0 32 -3,-0.5 4,-4.4 2,-0.2 6,-0.3 0.898 110.5 52.9 -57.7 -52.6 2.7 12.4 12.6 43 186 A I H <>S+ 0 0 2 -4,-1.8 5,-2.8 -25,-0.2 6,-0.5 0.915 117.9 36.9 -49.9 -52.6 6.1 13.8 13.7 44 187 A V H ><5S+ 0 0 56 -4,-2.5 3,-0.8 3,-0.2 -2,-0.2 0.919 120.7 48.1 -65.9 -45.9 5.0 17.4 13.1 45 188 A A H 3<5S+ 0 0 72 -4,-3.2 -2,-0.2 -5,-0.4 -3,-0.2 0.904 115.6 42.5 -65.7 -43.2 1.5 16.8 14.2 46 189 A K T 3<5S- 0 0 132 -4,-4.4 -1,-0.2 -5,-0.2 -2,-0.2 0.363 114.1-115.9 -84.8 4.5 2.5 15.0 17.5 47 190 A D T < 5S+ 0 0 132 -3,-0.8 3,-0.4 -5,-0.2 4,-0.2 0.714 75.0 132.9 73.5 24.1 5.3 17.6 18.1 48 191 A E >< + 0 0 45 -5,-2.8 4,-1.8 -6,-0.3 -4,-0.2 0.157 33.6 104.7 -95.2 21.4 8.0 15.1 17.8 49 192 A V H > S+ 0 0 45 -6,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.958 77.6 47.6 -68.8 -52.0 10.1 17.2 15.4 50 193 A A H > S+ 0 0 62 -3,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.831 113.0 49.3 -60.9 -35.1 12.8 18.3 17.9 51 194 A H H > S+ 0 0 43 -4,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.901 108.0 53.6 -70.7 -42.0 13.3 14.8 19.2 52 195 A T H X S+ 0 0 5 -4,-1.8 4,-1.3 1,-0.2 -2,-0.2 0.865 109.5 48.3 -60.4 -38.9 13.7 13.3 15.7 53 196 A L H X S+ 0 0 57 -4,-1.9 4,-2.7 2,-0.2 3,-0.3 0.920 108.2 54.8 -68.2 -43.9 16.4 15.9 14.9 54 197 A T H X S+ 0 0 13 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.857 107.1 51.1 -54.7 -39.0 18.2 15.1 18.2 55 198 A E H X S+ 0 0 5 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.845 109.1 50.7 -69.3 -35.2 18.3 11.4 17.2 56 199 A N H X S+ 0 0 5 -4,-1.3 4,-2.4 -3,-0.3 -2,-0.2 0.974 114.8 43.0 -65.5 -53.2 19.7 12.2 13.8 57 200 A R H X S+ 0 0 108 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.855 114.1 49.6 -59.8 -43.3 22.4 14.3 15.4 58 201 A V H < S+ 0 0 3 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.911 114.6 44.2 -64.8 -43.2 23.3 11.9 18.2 59 202 A L H >< S+ 0 0 3 -4,-2.0 3,-1.0 -5,-0.2 11,-0.4 0.887 108.8 59.1 -70.3 -40.2 23.6 8.9 15.9 60 203 A Q H 3< S+ 0 0 56 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.852 113.8 35.8 -52.9 -46.8 25.6 10.9 13.3 61 204 A N T 3< S+ 0 0 80 -4,-1.7 2,-0.3 -5,-0.1 -1,-0.3 -0.422 101.5 82.0-116.9 60.8 28.3 11.7 15.8 62 205 A S < + 0 0 5 -3,-1.0 2,-0.4 -2,-0.1 59,-0.0 -0.909 44.1 175.9-143.0 131.1 28.6 8.5 17.9 63 206 A R + 0 0 124 -2,-0.3 5,-0.1 6,-0.1 6,-0.1 -0.926 24.8 143.4-128.5 113.0 30.5 5.4 16.8 64 207 A H > - 0 0 13 3,-0.4 3,-2.2 -2,-0.4 53,-0.0 -0.973 57.1-121.0-153.8 137.2 30.4 2.7 19.5 65 208 A P T 3 S+ 0 0 23 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.740 114.3 36.7 -36.8 -38.9 30.3 -1.1 19.8 66 209 A F T 3 S+ 0 0 0 47,-0.1 81,-2.6 80,-0.1 2,-0.5 0.153 99.5 83.0-117.4 13.7 27.1 -0.9 21.9 67 210 A L B < S-f 147 0B 4 -3,-2.2 -3,-0.4 79,-0.2 81,-0.2 -0.985 90.2-105.7-113.0 131.7 25.2 2.0 20.4 68 211 A T - 0 0 7 79,-2.3 2,-0.1 -2,-0.5 -2,-0.1 -0.342 38.7-138.1 -47.6 118.0 23.1 1.3 17.3 69 212 A A - 0 0 22 -2,-0.1 16,-1.6 -4,-0.1 2,-0.5 -0.470 6.7-136.9 -79.5 159.7 25.0 2.8 14.3 70 213 A L E -D 84 0A 5 -11,-0.4 14,-0.2 14,-0.2 3,-0.1 -0.987 17.9-177.4-122.0 125.2 23.3 4.6 11.5 71 214 A K E - 0 0 65 12,-2.8 246,-2.4 -2,-0.5 2,-0.3 0.940 68.5 -4.8 -86.8 -58.2 24.2 4.0 7.9 72 215 A Y E -DE 83 316A 33 11,-1.1 11,-2.6 244,-0.2 -1,-0.4 -0.942 53.9-164.4-133.9 159.3 22.0 6.4 6.0 73 216 A S E +DE 82 315A 2 242,-2.8 242,-2.8 -2,-0.3 2,-0.2 -0.956 26.4 148.2-147.7 124.0 19.3 8.9 6.8 74 217 A F E -D 81 0A 2 7,-1.7 7,-2.2 -2,-0.3 2,-0.3 -0.734 25.7-131.5-143.3-175.9 16.9 10.4 4.2 75 218 A Q E -D 80 0A 29 5,-0.2 2,-0.2 -2,-0.2 5,-0.2 -0.938 8.9-170.6-147.5 168.3 13.4 11.8 3.3 76 219 A T - 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