==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 17-JAN-11 3QCQ . COMPND 2 MOLECULE: 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.R.MEDINA,C.J.BECKER,C.W.BLACKLEDGE,C.DUQUENNE,Y.FENG,S.W.G . 277 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13531.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 14.4 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 . 2 0.7 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 . 22 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 28.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 1 2 0 2 0 1 0 1 0 0 0 0 1 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 . 1 1 1 0 1 2 1 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 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 73 A Q 0 0 147 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 142.1 -56.3 -4.0 12.9 2 74 A P - 0 0 113 0, 0.0 3,-0.1 0, 0.0 2,-0.1 -0.047 360.0 -83.5 -60.8 169.1 -54.9 -3.9 16.5 3 75 A R - 0 0 94 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.424 66.7 -74.0 -72.0 156.0 -56.9 -2.3 19.4 4 76 A K - 0 0 142 -2,-0.1 -1,-0.1 -3,-0.1 73,-0.1 -0.248 51.4-128.9 -58.8 128.7 -56.6 1.5 19.7 5 77 A K - 0 0 49 71,-0.3 73,-0.2 -3,-0.1 -1,-0.1 -0.269 24.9-154.5 -70.4 162.6 -53.2 2.5 21.2 6 78 A R > - 0 0 111 71,-0.1 3,-2.2 1,-0.1 4,-0.2 -0.925 31.3-101.9-138.7 164.6 -53.1 4.9 24.1 7 79 A P G > S+ 0 0 41 0, 0.0 3,-1.9 0, 0.0 5,-0.1 0.857 119.1 61.0 -51.2 -39.7 -50.7 7.5 25.7 8 80 A E G 3 S+ 0 0 134 1,-0.3 -3,-0.0 3,-0.1 0, 0.0 0.583 89.4 70.8 -68.2 -12.1 -49.7 4.9 28.4 9 81 A D G < S+ 0 0 34 -3,-2.2 21,-2.4 20,-0.1 22,-0.4 0.591 98.1 65.8 -74.3 -9.6 -48.4 2.7 25.6 10 82 A F E < -A 29 0A 14 -3,-1.9 2,-0.7 -4,-0.2 19,-0.2 -0.831 67.5-144.7-122.2 148.5 -45.6 5.1 25.1 11 83 A K E -A 28 0A 134 17,-2.3 17,-2.4 -2,-0.3 2,-0.1 -0.942 35.6-151.3-102.1 103.4 -42.5 6.5 26.8 12 84 A F E +A 27 0A 74 -2,-0.7 15,-0.2 15,-0.2 2,-0.1 -0.437 23.4 163.9 -72.9 151.2 -42.6 10.1 25.6 13 85 A G E - 0 0 50 13,-2.9 -1,-0.1 1,-0.4 14,-0.1 -0.228 38.2 -0.1-135.0-131.3 -39.4 12.1 25.2 14 86 A K E - 0 0 135 11,-0.1 12,-2.9 1,-0.1 2,-0.4 -0.139 67.7-102.0 -73.4 159.6 -38.1 15.3 23.5 15 87 A I E -A 25 0A 93 10,-0.2 10,-0.3 1,-0.1 -1,-0.1 -0.646 30.2-177.0 -79.7 129.5 -39.9 17.7 21.4 16 88 A L E - 0 0 60 8,-3.3 2,-0.3 -2,-0.4 9,-0.2 0.675 66.6 -0.5 -99.3 -26.3 -39.2 17.3 17.6 17 89 A G E -A 24 0A 26 7,-1.6 7,-3.0 2,-0.0 2,-0.4 -0.987 54.7-150.9-164.8 153.3 -41.3 20.2 16.4 18 90 A E E +A 23 0A 156 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.992 19.7 165.9-131.9 133.0 -43.5 23.0 17.4 19 91 A G - 0 0 46 3,-3.0 3,-0.1 -2,-0.4 -2,-0.0 -0.805 50.5 -92.7-132.0-179.1 -46.3 24.6 15.4 20 92 A S S S+ 0 0 103 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.889 123.2 17.9 -60.0 -41.9 -49.2 27.0 16.1 21 93 A F S S+ 0 0 63 1,-0.1 21,-0.6 20,-0.0 2,-0.3 0.349 126.4 37.8-116.1 5.0 -51.7 24.2 16.7 22 94 A S E - B 0 41A 22 19,-0.2 -3,-3.0 -3,-0.1 2,-0.4 -0.987 52.7-150.9-157.4 157.8 -49.5 21.2 17.4 23 95 A T E -AB 18 40A 46 17,-1.9 17,-3.3 -2,-0.3 2,-0.5 -0.995 17.1-143.2-132.7 136.1 -46.4 19.8 19.0 24 96 A V E -AB 17 39A 30 -7,-3.0 -8,-3.3 -2,-0.4 -7,-1.6 -0.894 21.6-173.1-103.4 129.6 -44.4 16.8 17.7 25 97 A V E -AB 15 38A 14 13,-2.7 13,-2.9 -2,-0.5 2,-0.3 -0.973 25.9-121.4-128.3 133.9 -42.9 14.6 20.4 26 98 A L E + B 0 37A 22 -12,-2.9 -13,-2.9 -2,-0.4 2,-0.4 -0.539 38.3 179.7 -68.5 129.3 -40.5 11.6 20.2 27 99 A A E -AB 12 36A 0 9,-2.6 9,-2.8 -2,-0.3 2,-0.6 -0.998 22.8-148.6-136.7 140.3 -42.1 8.5 21.7 28 100 A R E -AB 11 35A 78 -17,-2.4 -17,-2.3 -2,-0.4 7,-0.2 -0.923 19.9-135.7-105.7 116.3 -41.0 5.0 22.2 29 101 A E E > -A 10 0A 10 5,-2.8 4,-1.7 -2,-0.6 5,-0.3 -0.543 13.1-146.5 -68.1 135.7 -43.7 2.3 22.1 30 102 A L T 4 S+ 0 0 109 -21,-2.4 -1,-0.1 -2,-0.2 -20,-0.1 0.900 90.5 52.7 -79.8 -42.8 -43.0 -0.1 25.0 31 103 A A T 4 S+ 0 0 97 -22,-0.4 -1,-0.2 1,-0.2 -21,-0.1 0.867 128.3 21.8 -54.1 -37.2 -44.3 -3.4 23.5 32 104 A T T 4 S- 0 0 58 2,-0.1 -2,-0.2 0, 0.0 -1,-0.2 0.600 91.1-130.5-112.0 -13.9 -42.1 -2.9 20.4 33 105 A S < + 0 0 71 -4,-1.7 2,-0.2 1,-0.2 -3,-0.2 0.615 57.6 152.9 59.4 17.6 -39.3 -0.5 21.4 34 106 A R - 0 0 147 -5,-0.3 -5,-2.8 -6,-0.1 2,-0.6 -0.504 42.3-133.3 -78.7 143.1 -40.3 1.4 18.2 35 107 A E E +B 28 0A 64 -7,-0.2 54,-0.4 -2,-0.2 2,-0.3 -0.845 28.3 173.6 -97.1 120.7 -39.7 5.1 17.8 36 108 A Y E -B 27 0A 18 -9,-2.8 -9,-2.6 -2,-0.6 2,-0.7 -0.849 33.7-128.2-114.1 159.3 -42.5 7.2 16.4 37 109 A A E -BC 26 87A 8 50,-2.5 50,-2.0 -2,-0.3 2,-0.7 -0.936 31.8-155.1-100.9 106.5 -42.9 10.9 16.1 38 110 A I E -BC 25 86A 0 -13,-2.9 -13,-2.7 -2,-0.7 2,-0.6 -0.765 4.2-150.7 -95.1 117.0 -46.2 11.6 17.7 39 111 A K E -BC 24 85A 18 46,-2.6 46,-2.3 -2,-0.7 2,-0.5 -0.751 14.7-160.9 -84.4 118.4 -48.0 14.7 16.6 40 112 A I E -BC 23 84A 27 -17,-3.3 -17,-1.9 -2,-0.6 2,-0.4 -0.888 9.6-177.0-108.9 124.6 -50.2 16.1 19.5 41 113 A L E -BC 22 83A 6 42,-2.4 42,-3.0 -2,-0.5 2,-0.7 -0.980 23.6-132.8-124.2 129.4 -53.0 18.4 18.8 42 114 A E E > - C 0 82A 89 -21,-0.6 4,-2.1 -2,-0.4 40,-0.2 -0.712 11.9-151.2 -85.2 117.4 -55.2 20.0 21.4 43 115 A K H > S+ 0 0 50 38,-2.0 4,-2.6 -2,-0.7 5,-0.3 0.898 91.3 53.9 -51.5 -50.1 -58.9 19.7 20.4 44 116 A R H > S+ 0 0 161 37,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.922 110.9 45.1 -55.6 -49.2 -60.1 22.9 22.2 45 117 A H H > S+ 0 0 45 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.873 112.7 51.8 -65.1 -37.2 -57.6 25.1 20.5 46 118 A I H <>S+ 0 0 5 -4,-2.1 5,-3.0 2,-0.2 6,-0.5 0.907 114.0 42.9 -66.1 -42.8 -58.2 23.5 17.1 47 119 A I H ><5S+ 0 0 109 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.890 110.2 56.4 -68.3 -41.3 -62.0 24.0 17.4 48 120 A K H 3<5S+ 0 0 102 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.753 114.3 40.5 -63.7 -22.9 -61.5 27.5 18.8 49 121 A E T 3<5S- 0 0 77 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.269 111.1-115.4-111.6 11.6 -59.6 28.5 15.7 50 122 A N T < 5S+ 0 0 128 -3,-1.4 -3,-0.2 1,-0.1 4,-0.1 0.883 71.9 134.5 53.3 46.6 -61.7 26.6 13.1 51 123 A K >>< + 0 0 60 -5,-3.0 4,-2.0 1,-0.2 3,-1.5 0.469 31.6 104.9 -98.2 -4.4 -58.8 24.3 12.1 52 124 A V H 3> S+ 0 0 69 -6,-0.5 4,-2.4 1,-0.3 5,-0.2 0.842 78.9 54.5 -48.8 -39.5 -61.0 21.1 12.1 53 125 A P H 3> S+ 0 0 74 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.869 109.5 47.8 -60.5 -35.3 -60.9 21.1 8.3 54 126 A Y H <> S+ 0 0 55 -3,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.913 112.2 46.7 -76.3 -44.6 -57.1 21.2 8.2 55 127 A V H X S+ 0 0 17 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.914 113.9 50.4 -56.9 -47.2 -56.6 18.4 10.8 56 128 A T H X S+ 0 0 69 -4,-2.4 4,-2.4 -5,-0.3 5,-0.2 0.952 111.3 47.4 -56.8 -50.3 -59.1 16.4 8.9 57 129 A R H X S+ 0 0 38 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.884 110.2 52.5 -64.8 -38.7 -57.4 16.9 5.6 58 130 A E H X S+ 0 0 6 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.938 111.3 46.4 -61.4 -46.0 -54.0 16.1 7.0 59 131 A R H X S+ 0 0 99 -4,-2.3 4,-0.6 1,-0.2 -2,-0.2 0.923 115.4 45.6 -62.9 -44.0 -55.2 12.8 8.5 60 132 A D H X S+ 0 0 90 -4,-2.4 4,-1.4 -5,-0.2 3,-0.4 0.889 115.3 47.0 -68.1 -39.3 -57.0 11.8 5.3 61 133 A V H < S+ 0 0 1 -4,-2.6 4,-0.3 -5,-0.2 -2,-0.2 0.918 109.3 51.8 -68.3 -44.7 -54.1 12.8 3.0 62 134 A M H < S+ 0 0 2 -4,-2.6 11,-0.9 1,-0.2 -1,-0.2 0.585 107.9 54.8 -72.7 -9.0 -51.4 11.1 5.1 63 135 A S H < S+ 0 0 77 -4,-0.6 -1,-0.2 -3,-0.4 -2,-0.2 0.836 103.3 53.8 -87.5 -39.5 -53.4 7.9 5.0 64 136 A R S < S+ 0 0 124 -4,-1.4 2,-0.5 -3,-0.2 -2,-0.2 0.455 93.1 95.7 -69.0 -4.2 -53.7 7.9 1.2 65 137 A L + 0 0 6 -4,-0.3 8,-0.3 6,-0.1 2,-0.2 -0.804 39.4 163.5-100.3 131.6 -49.8 8.1 1.0 66 138 A D + 0 0 127 -2,-0.5 5,-0.1 6,-0.1 6,-0.1 -0.686 34.4 108.6-143.9 82.2 -47.7 5.0 0.6 67 139 A H > - 0 0 45 3,-0.3 3,-1.8 -2,-0.2 -2,-0.0 -0.973 69.3-120.5-161.6 139.4 -44.2 5.9 -0.5 68 140 A P T 3 S+ 0 0 59 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.731 109.2 60.6 -58.4 -24.5 -40.7 6.0 1.0 69 141 A F T 3 S+ 0 0 3 79,-0.1 80,-2.8 2,-0.1 2,-0.4 0.308 96.6 73.3 -90.5 14.3 -40.3 9.8 0.4 70 142 A F B < S-e 149 0B 8 -3,-1.8 -3,-0.3 78,-0.3 80,-0.2 -0.990 86.3-115.2-130.0 128.2 -43.3 10.6 2.6 71 143 A V - 0 0 3 78,-1.9 2,-0.3 -2,-0.4 -6,-0.1 -0.277 42.5-130.6 -49.7 139.4 -43.6 10.5 6.4 72 144 A K - 0 0 77 -4,-0.1 16,-1.4 -6,-0.1 2,-0.8 -0.747 4.7-134.4-105.3 146.9 -46.2 7.9 7.2 73 145 A L E +D 87 0A 14 -11,-0.9 14,-0.2 -2,-0.3 3,-0.1 -0.875 26.7 175.0 -96.3 108.4 -49.3 8.0 9.4 74 146 A Y E - 0 0 113 12,-3.4 2,-0.3 -2,-0.8 -1,-0.2 0.815 58.3 -29.0 -84.0 -30.5 -49.1 4.7 11.4 75 147 A F E -D 86 0A 25 11,-0.8 11,-3.2 2,-0.0 2,-0.3 -0.983 50.5-142.0-174.5 166.0 -52.1 5.3 13.7 76 148 A T E +D 85 0A 11 -2,-0.3 -71,-0.3 9,-0.2 2,-0.3 -0.965 20.4 158.9-139.3 157.7 -54.2 7.7 15.6 77 149 A F E -D 84 0A 10 7,-1.7 7,-2.7 -2,-0.3 2,-0.3 -0.966 16.6-151.6-162.5 172.5 -55.9 8.0 19.0 78 150 A Q E -D 83 0A 113 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.989 6.2-164.0-146.0 157.2 -57.3 10.5 21.4 79 151 A D - 0 0 46 3,-1.9 5,-0.0 -2,-0.3 -2,-0.0 -0.445 58.0 -66.1-117.0-156.5 -57.9 11.2 25.0 80 152 A D S S+ 0 0 138 1,-0.2 3,-0.0 -2,-0.2 -2,-0.0 0.893 128.8 16.6 -63.4 -40.5 -60.2 13.8 26.5 81 153 A E S S+ 0 0 98 -38,-0.1 -38,-2.0 1,-0.1 -37,-0.5 0.629 118.3 55.6-110.4 -17.6 -58.2 16.9 25.4 82 154 A K E -C 42 0A 82 -40,-0.2 -3,-1.9 -39,-0.1 2,-0.4 -0.889 54.7-145.3-131.6 149.9 -55.9 15.8 22.7 83 155 A L E -CD 41 78A 28 -42,-3.0 -42,-2.4 -2,-0.3 2,-0.4 -0.871 21.7-158.1 -98.9 144.8 -55.5 14.1 19.3 84 156 A Y E -CD 40 77A 13 -7,-2.7 -7,-1.7 -2,-0.4 2,-0.5 -0.990 6.8-168.1-125.8 127.0 -52.4 11.9 18.6 85 157 A F E -CD 39 76A 5 -46,-2.3 -46,-2.6 -2,-0.4 2,-0.8 -0.969 16.6-142.4-111.4 124.8 -51.0 11.0 15.2 86 158 A G E +CD 38 75A 0 -11,-3.2 -12,-3.4 -2,-0.5 -11,-0.8 -0.757 32.2 178.2 -84.4 111.9 -48.3 8.3 15.0 87 159 A L E -CD 37 73A 8 -50,-2.0 -50,-2.5 -2,-0.8 -14,-0.2 -0.751 36.6 -85.7-113.9 157.1 -45.8 9.5 12.3 88 160 A S - 0 0 11 -16,-1.4 2,-0.7 -2,-0.3 -52,-0.1 -0.279 44.5-125.9 -49.5 142.4 -42.6 8.2 10.8 89 161 A Y - 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