==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-APR-08 3CQW . COMPND 2 MOLECULE: RAC-ALPHA SERINE/THREONINE-PROTEIN KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.PANDIT . 329 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15954.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 206 62.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 18 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 25.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 1 2 0 1 0 2 0 0 1 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 . 3 2 1 0 1 1 2 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 . 1 0 1 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 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 0 249 0, 0.0 2,-0.3 0, 0.0 73,-0.1 0.000 360.0 360.0 360.0 36.0 -1.6 -7.2 -2.6 2 145 A V + 0 0 20 71,-0.1 2,-0.2 3,-0.0 73,-0.1 -0.616 360.0 161.1-105.1 138.4 0.8 -5.0 -0.8 3 146 A T > - 0 0 63 -2,-0.3 3,-1.2 71,-0.1 4,-0.2 -0.781 57.9 -86.8-137.8 177.0 4.6 -4.4 -1.3 4 147 A M G > S+ 0 0 46 1,-0.2 3,-1.3 -2,-0.2 -2,-0.0 0.831 122.6 65.8 -57.8 -29.7 7.3 -1.9 -0.4 5 148 A N G 3 S+ 0 0 108 1,-0.2 -1,-0.2 3,-0.0 22,-0.1 0.757 83.5 72.2 -64.3 -27.6 6.2 -0.0 -3.6 6 149 A E G < S+ 0 0 63 -3,-1.2 21,-2.3 20,-0.1 22,-0.4 0.529 100.7 48.5 -70.1 -4.0 2.7 0.8 -2.3 7 150 A F E < -A 26 0A 4 -3,-1.3 2,-0.4 19,-0.2 19,-0.2 -0.914 69.7-133.8-134.6 155.0 4.2 3.4 0.2 8 151 A E E -A 25 0A 90 17,-2.2 17,-1.7 -2,-0.3 2,-0.5 -0.897 25.7-135.1-101.5 148.7 6.6 6.4 0.4 9 152 A Y E +A 24 0A 59 -2,-0.4 15,-0.2 15,-0.2 295,-0.1 -0.888 33.5 162.1-110.1 125.7 9.1 6.4 3.3 10 153 A L E + 0 0 54 13,-2.3 2,-0.3 -2,-0.5 14,-0.2 0.818 54.1 7.0-119.2 -54.4 9.3 9.8 5.0 11 154 A K E -A 23 0A 66 12,-1.1 12,-2.9 292,-0.1 2,-0.4 -0.993 62.3-123.4-143.9 135.6 10.8 9.7 8.5 12 155 A L E +A 22 0A 9 290,-0.6 10,-0.3 287,-0.4 290,-0.2 -0.677 27.8 177.4 -74.4 124.2 12.6 7.2 10.6 13 156 A L E - 0 0 16 8,-2.9 283,-0.3 -2,-0.4 2,-0.3 0.570 61.6 -4.1-101.1 -17.4 10.7 6.9 14.0 14 157 A G E -A 21 0A 16 7,-1.4 7,-2.6 285,-0.1 -1,-0.3 -0.939 50.2-176.9-177.2 145.8 12.6 4.1 15.7 15 158 A K E +A 20 0A 109 -2,-0.3 5,-0.2 5,-0.3 2,-0.2 -0.809 13.9 159.5-159.8 112.0 15.4 1.6 15.2 16 159 A G - 0 0 57 3,-1.7 3,-0.1 -2,-0.3 -2,-0.0 -0.395 60.9 -71.0-112.3-159.5 16.7 -1.1 17.6 17 160 A T S S+ 0 0 102 1,-0.2 3,-0.1 -2,-0.2 29,-0.0 0.833 128.0 43.4 -72.4 -32.5 18.7 -4.3 17.0 18 161 A F S S- 0 0 82 1,-0.1 21,-0.9 20,-0.0 2,-0.3 0.736 123.1 -58.8 -81.4 -26.6 15.9 -6.3 15.2 19 162 A G E - B 0 38A 22 19,-0.2 -3,-1.7 -3,-0.1 2,-0.3 -0.929 51.2 -86.0 175.8-154.8 14.6 -3.5 12.9 20 163 A K E -AB 15 37A 72 17,-1.9 17,-3.3 -2,-0.3 2,-0.4 -0.980 13.5-136.5-153.7 159.1 13.0 -0.1 12.4 21 164 A V E -AB 14 36A 33 -7,-2.6 -8,-2.9 -2,-0.3 -7,-1.4 -0.980 23.0-172.3-125.6 132.3 9.8 1.9 12.2 22 165 A I E -AB 12 35A 4 13,-2.5 13,-2.8 -2,-0.4 2,-0.5 -0.977 28.6-120.5-128.5 134.0 9.2 4.5 9.5 23 166 A L E +AB 11 34A 0 -12,-2.9 -13,-2.3 -2,-0.4 -12,-1.1 -0.678 47.0 177.2 -64.2 116.9 6.4 7.1 9.0 24 167 A V E -AB 9 33A 0 9,-2.7 9,-2.5 -2,-0.5 2,-0.4 -0.835 27.4-142.3-124.2 165.4 5.0 6.2 5.6 25 168 A K E -AB 8 32A 35 -17,-1.7 -17,-2.2 -2,-0.3 2,-0.5 -0.998 22.9-126.9-128.0 131.1 2.2 7.3 3.3 26 169 A E E >> -A 7 0A 11 5,-3.1 4,-2.6 -2,-0.4 3,-1.1 -0.701 14.5-145.1 -84.4 123.6 0.1 4.9 1.3 27 170 A K T 34 S+ 0 0 106 -21,-2.3 -1,-0.1 -2,-0.5 -20,-0.1 0.874 94.0 51.4 -58.8 -44.3 0.2 6.0 -2.4 28 171 A A T 34 S+ 0 0 96 -22,-0.4 -1,-0.3 1,-0.2 -21,-0.1 0.634 125.0 22.3 -70.8 -18.6 -3.4 4.8 -3.2 29 172 A T T <4 S- 0 0 66 -3,-1.1 -2,-0.2 2,-0.2 -1,-0.2 0.618 89.3-125.9-121.2 -19.0 -5.1 6.6 -0.3 30 173 A G < + 0 0 38 -4,-2.6 2,-0.2 1,-0.3 -3,-0.1 0.562 63.3 143.7 74.4 8.9 -2.9 9.5 0.8 31 174 A R - 0 0 158 -5,-0.5 -5,-3.1 -6,-0.0 2,-0.3 -0.583 44.1-135.7 -89.3 146.7 -3.1 7.9 4.4 32 175 A Y E +B 25 0A 71 -7,-0.2 54,-0.5 -2,-0.2 2,-0.3 -0.770 30.4 160.6-105.2 143.1 -0.2 8.0 6.8 33 176 A Y E -B 24 0A 23 -9,-2.5 -9,-2.7 -2,-0.3 2,-0.5 -0.908 40.6-107.6-147.0 167.2 0.9 5.0 8.9 34 177 A A E -BC 23 84A 11 50,-2.7 50,-3.1 -2,-0.3 2,-0.5 -0.944 31.5-159.3-100.0 130.3 3.8 3.7 10.9 35 178 A M E -BC 22 83A 0 -13,-2.8 -13,-2.5 -2,-0.5 2,-0.6 -0.963 5.2-156.8-110.6 115.3 5.5 0.7 9.2 36 179 A K E -BC 21 82A 24 46,-2.2 46,-2.0 -2,-0.5 2,-0.5 -0.872 16.2-163.3 -84.7 121.7 7.7 -1.6 11.3 37 180 A I E -BC 20 81A 4 -17,-3.3 -17,-1.9 -2,-0.6 2,-0.4 -0.956 6.9-172.8-115.0 117.7 10.2 -3.3 8.9 38 181 A L E -BC 19 80A 11 42,-3.3 42,-2.4 -2,-0.5 2,-0.6 -0.936 22.8-132.3-110.6 133.3 12.0 -6.4 10.0 39 182 A K E > - C 0 79A 75 -21,-0.9 4,-2.2 -2,-0.4 3,-0.3 -0.760 16.8-144.1 -81.3 120.2 14.8 -8.1 8.1 40 183 A K H > S+ 0 0 5 38,-2.0 4,-2.1 -2,-0.6 5,-0.2 0.848 96.6 54.2 -50.3 -42.3 14.0 -11.9 8.0 41 184 A E H > S+ 0 0 58 37,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.920 109.5 47.0 -65.1 -42.7 17.6 -13.0 8.3 42 185 A V H > S+ 0 0 44 -3,-0.3 4,-2.5 1,-0.2 6,-0.2 0.888 110.6 52.7 -66.1 -39.6 18.2 -10.9 11.5 43 186 A I H <>S+ 0 0 2 -4,-2.2 5,-2.7 2,-0.2 6,-0.5 0.860 112.5 45.3 -62.4 -38.4 14.9 -12.2 13.0 44 187 A V H ><5S+ 0 0 46 -4,-2.1 3,-0.5 263,-0.3 -2,-0.2 0.916 116.4 44.9 -71.7 -41.9 16.0 -15.8 12.4 45 188 A A H 3<5S+ 0 0 63 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.889 115.3 45.9 -68.6 -40.2 19.6 -15.2 13.7 46 189 A K T 3<5S- 0 0 102 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.401 113.3-117.9 -88.8 0.7 18.5 -13.2 16.8 47 190 A D T < 5S+ 0 0 135 -3,-0.5 4,-0.3 -4,-0.2 -3,-0.2 0.823 72.4 133.5 69.1 35.5 15.8 -15.8 17.6 48 191 A E >< + 0 0 28 -5,-2.7 4,-2.2 -6,-0.2 -4,-0.2 0.170 33.4 102.6-101.6 15.7 12.9 -13.4 17.3 49 192 A V H > S+ 0 0 47 -6,-0.5 4,-2.2 2,-0.2 5,-0.2 0.972 83.0 43.6 -68.5 -56.0 10.7 -15.6 15.1 50 193 A A H > S+ 0 0 64 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.892 113.9 52.9 -59.6 -36.1 8.2 -16.7 17.7 51 194 A H H > S+ 0 0 42 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.930 109.5 49.6 -61.9 -43.8 8.1 -13.1 19.1 52 195 A T H X S+ 0 0 7 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.879 110.5 48.9 -64.0 -38.1 7.2 -11.7 15.6 53 196 A L H X S+ 0 0 56 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.897 110.3 51.8 -69.9 -42.4 4.4 -14.3 15.1 54 197 A T H X S+ 0 0 17 -4,-2.3 4,-3.0 -5,-0.2 5,-0.3 0.951 110.8 47.6 -52.9 -49.6 3.0 -13.5 18.5 55 198 A E H X S+ 0 0 11 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.922 110.8 52.0 -63.7 -41.5 3.0 -9.8 17.6 56 199 A N H X S+ 0 0 9 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.968 115.0 41.3 -57.4 -52.5 1.4 -10.6 14.2 57 200 A R H X S+ 0 0 103 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.921 113.5 51.8 -62.9 -48.7 -1.5 -12.6 15.8 58 201 A V H X S+ 0 0 5 -4,-3.0 4,-1.2 -5,-0.2 -1,-0.2 0.938 114.0 44.5 -56.0 -44.7 -2.0 -10.2 18.7 59 202 A L H < S+ 0 0 6 -4,-2.5 11,-0.5 -5,-0.3 3,-0.4 0.925 114.5 49.2 -64.5 -43.0 -2.3 -7.3 16.3 60 203 A Q H < S+ 0 0 40 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.917 117.0 40.9 -62.2 -42.5 -4.6 -9.2 13.9 61 204 A N H < S+ 0 0 95 -4,-3.0 2,-0.3 -5,-0.2 -1,-0.2 0.590 98.5 89.0 -85.1 -12.5 -6.9 -10.4 16.6 62 205 A S < + 0 0 12 -4,-1.2 2,-0.3 -3,-0.4 8,-0.3 -0.690 41.4 173.7 -97.3 138.5 -7.1 -7.2 18.7 63 206 A R + 0 0 138 -2,-0.3 5,-0.1 6,-0.1 6,-0.1 -0.857 27.4 132.1-138.5 101.7 -9.6 -4.4 18.2 64 207 A H > - 0 0 16 3,-0.4 3,-1.8 -2,-0.3 53,-0.0 -0.983 61.1-122.2-155.1 142.2 -9.4 -1.7 21.0 65 208 A P T 3 S+ 0 0 24 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.786 113.9 43.7 -61.6 -21.6 -9.3 2.1 21.0 66 209 A F T 3 S+ 0 0 0 47,-0.1 81,-2.5 80,-0.1 2,-0.5 0.261 98.1 84.6-109.8 14.6 -5.9 2.0 23.0 67 210 A L B < S-f 147 0B 3 -3,-1.8 -3,-0.4 79,-0.2 81,-0.1 -0.973 90.9-106.2-114.0 126.0 -4.2 -0.7 21.0 68 211 A T - 0 0 10 79,-2.1 2,-0.3 -2,-0.5 -6,-0.1 -0.316 40.0-131.7 -40.6 116.2 -2.4 0.2 17.8 69 212 A A - 0 0 42 -4,-0.1 16,-2.0 -6,-0.1 2,-0.5 -0.662 11.7-132.1 -81.6 139.4 -4.6 -1.1 15.0 70 213 A L E +D 84 0A 11 -11,-0.5 14,-0.2 -2,-0.3 3,-0.1 -0.786 25.5 174.7 -92.9 129.3 -3.0 -3.2 12.2 71 214 A K E + 0 0 62 12,-3.0 247,-2.7 -2,-0.5 2,-0.4 0.845 67.6 0.6 -96.1 -57.8 -3.8 -2.3 8.6 72 215 A Y E -DE 83 317A 31 11,-1.3 11,-2.7 245,-0.2 -1,-0.4 -0.987 48.2-167.6-130.5 145.6 -1.6 -4.6 6.7 73 216 A S E +DE 82 316A 2 243,-2.2 243,-2.5 -2,-0.4 2,-0.3 -0.997 30.2 154.3-117.5 135.0 0.9 -7.4 7.3 74 217 A F E -D 81 0A 2 7,-2.0 7,-2.1 -2,-0.4 2,-0.3 -0.983 26.0-146.7-153.9 155.4 3.0 -8.4 4.3 75 218 A Q E -D 80 0A 25 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.922 3.6-163.3-124.3 155.3 6.3 -9.9 3.4 76 219 A T - 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