==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 13-JUN-12 4FKS . COMPND 2 MOLECULE: CYCLIN-DEPENDENT KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.N.KANG,J.A.STUCKEY . 275 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13636.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 63.3 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 . 38 13.8 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 . 15 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 27.3 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+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 0 1 0 0 2 0 1 0 0 0 1 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 . 0 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 . 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 1 A M > 0 0 50 0, 0.0 3,-2.2 0, 0.0 61,-0.0 0.000 360.0 360.0 360.0 -13.5 -13.3 -4.2 -39.3 2 2 A E T 3 + 0 0 150 1,-0.3 22,-0.0 3,-0.0 0, 0.0 0.655 360.0 66.2 -63.8 -13.9 -13.2 -4.4 -43.1 3 3 A N T 3 S+ 0 0 68 20,-0.1 21,-3.6 21,-0.1 22,-0.3 0.578 93.8 74.6 -80.4 -11.6 -10.5 -1.6 -42.8 4 4 A F E < -A 23 0A 23 -3,-2.2 2,-0.5 19,-0.2 19,-0.2 -0.823 58.9-162.0-112.3 145.3 -8.0 -4.1 -41.0 5 5 A Q E -A 22 0A 39 17,-1.8 17,-2.5 -2,-0.3 2,-0.2 -0.994 24.7-131.3-118.8 114.6 -5.9 -6.9 -42.4 6 6 A K E +A 21 0A 120 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.518 28.2 174.6 -68.0 136.8 -4.7 -9.4 -39.7 7 7 A V E - 0 0 89 13,-3.1 2,-0.3 1,-0.4 14,-0.2 0.760 59.5 -18.0-107.0 -51.0 -0.9 -10.1 -40.0 8 8 A E E -A 20 0A 122 12,-1.3 12,-3.4 0, 0.0 2,-0.4 -0.979 61.4-105.4-160.3 149.4 -0.1 -12.3 -37.0 9 9 A K E +A 19 0A 65 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.675 35.3 175.3 -77.9 124.8 -1.4 -13.4 -33.6 10 10 A I E + 0 0 70 8,-2.8 2,-0.2 -2,-0.4 9,-0.2 0.390 59.0 2.9-115.1 4.1 0.7 -11.6 -30.9 11 11 A G E -A 18 0A 31 7,-1.2 7,-3.3 2,-0.1 2,-0.7 -0.803 42.0-145.8 173.7 141.0 -1.1 -12.7 -27.7 12 12 A E E -A 17 0A 95 5,-0.2 5,-0.2 -2,-0.2 -3,-0.0 -0.781 50.3-175.4-110.3 72.9 -3.8 -14.8 -26.1 13 13 A G - 0 0 40 3,-1.3 -2,-0.1 -2,-0.7 132,-0.0 0.083 39.7 -99.8 -68.6 179.4 -4.5 -12.3 -23.4 14 14 A T S S+ 0 0 80 1,-0.2 3,-0.1 130,-0.0 -1,-0.1 0.870 122.4 32.7 -69.0 -40.2 -6.8 -12.2 -20.3 15 15 A Y S S- 0 0 38 1,-0.3 2,-0.3 20,-0.0 -1,-0.2 0.533 131.8 -47.9 -96.7 -9.0 -9.6 -10.1 -22.0 16 16 A G S S- 0 0 17 19,-0.2 -3,-1.3 2,-0.0 -1,-0.3 -0.912 70.4 -54.8 160.2 175.7 -9.1 -11.5 -25.6 17 17 A V E -AB 12 34A 60 17,-0.7 17,-2.0 -2,-0.3 2,-0.4 -0.569 45.4-148.5 -81.9 140.4 -6.8 -12.4 -28.5 18 18 A V E -AB 11 33A 22 -7,-3.3 -8,-2.8 -2,-0.2 -7,-1.2 -0.940 14.1-171.2-113.9 131.6 -4.4 -9.7 -29.8 19 19 A Y E -AB 9 32A 63 13,-2.8 13,-3.3 -2,-0.4 2,-0.4 -0.943 28.1-123.9-119.1 146.4 -3.3 -9.5 -33.4 20 20 A K E +AB 8 31A 48 -12,-3.4 -13,-3.1 -2,-0.4 -12,-1.3 -0.704 49.0 174.2 -77.2 131.7 -0.8 -7.5 -35.3 21 21 A A E -AB 6 30A 0 9,-2.8 9,-2.9 -2,-0.4 2,-0.5 -0.966 32.7-127.4-143.6 159.0 -2.9 -5.8 -38.1 22 22 A R E -AB 5 29A 122 -17,-2.5 -17,-1.8 -2,-0.3 2,-0.7 -0.954 17.6-140.0-111.8 128.2 -2.6 -3.3 -40.9 23 23 A N E > -A 4 0A 24 5,-3.6 4,-2.0 -2,-0.5 3,-0.5 -0.772 10.5-159.7 -84.1 110.3 -5.1 -0.4 -41.1 24 24 A K T 4 S+ 0 0 129 -21,-3.6 2,-0.3 -2,-0.7 -1,-0.1 0.665 83.7 61.9 -68.0 -19.6 -5.9 -0.0 -44.8 25 25 A L T 4 S+ 0 0 73 -22,-0.3 -1,-0.2 1,-0.1 -22,-0.0 -0.428 126.1 9.0-109.3 58.5 -7.2 3.6 -44.5 26 26 A T T 4 S- 0 0 101 -3,-0.5 -2,-0.2 -2,-0.3 -1,-0.1 0.065 99.4-114.1 159.0 -22.8 -3.9 5.2 -43.2 27 27 A G < + 0 0 41 -4,-2.0 -3,-0.2 1,-0.2 2,-0.1 0.499 61.9 158.7 80.7 10.3 -1.4 2.3 -43.7 28 28 A E - 0 0 79 -5,-0.4 -5,-3.6 -6,-0.1 2,-0.5 -0.362 40.1-139.3 -73.4 137.6 -0.9 2.1 -39.9 29 29 A V E +B 22 0A 55 -7,-0.2 45,-0.5 -2,-0.1 2,-0.3 -0.871 38.4 165.1 -94.4 125.7 0.4 -1.1 -38.2 30 30 A V E -BC 21 73A 0 -9,-2.9 -9,-2.8 -2,-0.5 2,-0.5 -0.837 43.2-109.7-136.1 171.1 -1.6 -1.7 -35.0 31 31 A A E -BC 20 72A 9 41,-2.8 41,-3.3 -2,-0.3 2,-0.5 -0.963 34.0-159.0-105.1 120.4 -2.5 -4.2 -32.3 32 32 A L E -BC 19 71A 6 -13,-3.3 -13,-2.8 -2,-0.5 2,-0.5 -0.912 5.5-167.2-107.1 120.1 -6.1 -5.3 -32.7 33 33 A K E -BC 18 70A 5 37,-3.2 37,-2.9 -2,-0.5 2,-0.6 -0.948 7.6-156.0-110.9 121.2 -7.7 -6.9 -29.6 34 34 A K E BC 17 69A 92 -17,-2.0 -17,-0.7 -2,-0.5 35,-0.2 -0.868 360.0 360.0 -95.6 116.2 -11.0 -8.7 -30.1 35 35 A I 0 0 76 33,-3.5 33,-0.9 -2,-0.6 -19,-0.2 -0.709 360.0 360.0 -83.5 360.0 -12.9 -8.7 -26.7 36 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 37 45 A P >> 0 0 124 0, 0.0 4,-1.4 0, 0.0 3,-0.7 0.000 360.0 360.0 360.0 134.1 -22.8 -4.1 -22.2 38 46 A S H 3> + 0 0 72 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.842 360.0 60.7 -60.2 -39.4 -23.2 -0.3 -21.9 39 47 A T H 3> S+ 0 0 97 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.860 105.4 48.8 -56.2 -39.4 -21.1 -0.0 -18.7 40 48 A A H <> S+ 0 0 33 -3,-0.7 4,-2.7 2,-0.2 5,-0.2 0.894 107.7 53.1 -70.3 -40.9 -18.0 -1.5 -20.6 41 49 A I H X S+ 0 0 43 -4,-1.4 4,-1.9 1,-0.2 -2,-0.2 0.930 112.7 45.1 -60.3 -44.2 -18.4 0.9 -23.6 42 50 A R H X S+ 0 0 176 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.908 114.8 46.4 -69.1 -41.0 -18.3 3.9 -21.3 43 51 A E H X S+ 0 0 49 -4,-2.0 4,-1.0 1,-0.2 3,-0.3 0.913 114.2 47.9 -67.9 -41.3 -15.4 2.6 -19.1 44 52 A I H X S+ 0 0 14 -4,-2.7 4,-0.7 1,-0.2 3,-0.2 0.833 106.9 57.6 -70.2 -30.0 -13.3 1.7 -22.2 45 53 A S H < S+ 0 0 45 -4,-1.9 3,-0.5 -5,-0.2 4,-0.3 0.815 100.5 57.8 -69.9 -28.6 -14.1 5.2 -23.7 46 54 A L H >< S+ 0 0 61 -4,-1.3 3,-1.2 -3,-0.3 4,-0.4 0.835 100.1 59.2 -65.1 -33.7 -12.6 6.8 -20.6 47 55 A L H >< S+ 0 0 15 -4,-1.0 3,-0.9 1,-0.3 11,-0.3 0.765 88.7 70.7 -71.6 -20.3 -9.3 4.9 -21.4 48 56 A K T 3< S+ 0 0 81 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.742 103.4 44.1 -63.5 -24.8 -9.1 6.6 -24.8 49 57 A E T < S+ 0 0 167 -3,-1.2 2,-1.9 -4,-0.3 -1,-0.2 0.483 87.0 94.9 -94.9 -9.8 -8.2 9.9 -22.9 50 58 A L < + 0 0 15 -3,-0.9 2,-0.5 -4,-0.4 8,-0.1 -0.543 60.1 163.6 -84.8 72.4 -5.8 8.2 -20.4 51 59 A N + 0 0 73 -2,-1.9 5,-0.1 6,-0.1 6,-0.1 -0.821 6.7 144.9-104.2 130.3 -2.8 9.0 -22.6 52 60 A H > - 0 0 43 -2,-0.5 3,-2.2 3,-0.4 54,-0.0 -0.972 56.1-111.9-157.6 149.9 0.8 8.9 -21.4 53 61 A P T 3 S+ 0 0 92 0, 0.0 4,-0.1 0, 0.0 53,-0.0 0.706 118.7 49.4 -60.9 -22.3 4.2 8.0 -23.0 54 62 A N T 3 S+ 0 0 10 80,-0.1 81,-2.8 48,-0.1 2,-0.4 0.145 98.2 80.4-103.7 20.1 4.5 4.9 -20.8 55 63 A I B < S-e 135 0B 11 -3,-2.2 -3,-0.4 79,-0.3 81,-0.2 -0.992 89.8-112.7-124.4 127.6 0.9 3.7 -21.5 56 64 A V - 0 0 10 79,-2.7 2,-0.3 -2,-0.4 81,-0.1 -0.389 44.5-108.5 -60.8 128.8 0.2 1.8 -24.8 57 65 A K - 0 0 89 -2,-0.1 16,-2.5 -4,-0.1 2,-0.8 -0.446 17.8-144.8 -72.1 128.0 -2.0 4.1 -26.8 58 66 A L E +D 72 0A 11 -11,-0.3 14,-0.2 -2,-0.3 3,-0.1 -0.824 22.1 179.6 -85.8 106.1 -5.6 3.1 -27.2 59 67 A L E - 0 0 35 12,-2.3 2,-0.3 -2,-0.8 13,-0.2 0.884 57.5 -9.1 -79.2 -44.2 -6.2 4.4 -30.8 60 68 A D E -D 71 0A 89 11,-1.7 11,-2.8 2,-0.0 2,-0.5 -0.994 47.8-141.9-158.0 157.2 -9.9 3.4 -31.2 61 69 A V E -D 70 0A 27 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.993 22.1-170.1-121.4 118.6 -12.8 1.5 -29.8 62 70 A I E -D 69 0A 40 7,-3.1 7,-3.0 -2,-0.5 2,-0.6 -0.962 6.2-172.4-119.1 115.7 -15.0 -0.3 -32.4 63 71 A H E +D 68 0A 103 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.935 24.4 151.5-106.3 110.0 -18.4 -1.9 -31.2 64 72 A T E > -D 67 0A 62 3,-2.6 3,-2.0 -2,-0.6 -2,-0.1 -0.986 60.6 -5.2-145.7 134.9 -19.9 -4.0 -34.1 65 73 A E T 3 S- 0 0 108 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.875 125.9 -57.7 51.1 46.5 -22.2 -7.1 -34.3 66 74 A N T 3 S+ 0 0 100 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.467 118.3 113.4 63.3 8.3 -22.1 -7.5 -30.4 67 75 A K E < - 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0 0 14 -4,-3.5 -3,-0.1 -7,-0.2 88,-0.1 0.211 31.2 -77.1 89.2 144.7 21.1 -10.5 -17.3 91 99 A I - 0 0 13 86,-0.6 5,-0.1 1,-0.1 -8,-0.0 -0.617 61.9-103.7 -67.5 129.6 19.4 -7.2 -18.2 92 100 A P >> - 0 0 80 0, 0.0 4,-2.3 0, 0.0 3,-1.1 -0.257 26.3-120.4 -59.4 140.6 22.0 -4.5 -17.3 93 101 A L H 3> S+ 0 0 68 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.866 111.3 57.0 -51.6 -42.6 21.2 -2.7 -14.1 94 102 A P H 3> S+ 0 0 67 0, 0.0 4,-2.1 0, 0.0 177,-0.4 0.870 110.3 45.5 -60.6 -32.9 21.0 0.8 -15.8 95 103 A L H <> S+ 0 0 6 -3,-1.1 4,-2.9 2,-0.2 5,-0.2 0.898 111.4 51.3 -75.4 -40.1 18.3 -0.6 -18.1 96 104 A I H X S+ 0 0 6 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.948 112.6 48.1 -55.7 -47.2 16.4 -2.4 -15.3 97 105 A K H X S+ 0 0 11 -4,-2.9 4,-2.6 -5,-0.2 -2,-0.2 0.920 111.5 48.9 -62.2 -43.9 16.5 1.0 -13.5 98 106 A S H X S+ 0 0 4 -4,-2.1 4,-2.6 -5,-0.2 5,-0.2 0.923 112.9 47.6 -61.7 -45.6 15.2 2.9 -16.5 99 107 A Y H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.934 112.9 47.7 -65.0 -42.6 12.4 0.4 -17.1 100 108 A L H X S+ 0 0 0 -4,-2.9 4,-2.6 -5,-0.2 -2,-0.2 0.931 112.4 50.1 -62.2 -44.5 11.3 0.5 -13.5 101 109 A F H X S+ 0 0 55 -4,-2.6 4,-1.8 -5,-0.2 -2,-0.2 0.938 112.5 46.5 -58.6 -47.0 11.5 4.3 -13.5 102 110 A Q H X S+ 0 0 11 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.885 111.9 50.3 -64.3 -40.6 9.4 4.6 -16.6 103 111 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.918 109.2 51.9 -68.6 -37.0 6.8 2.0 -15.3 104 112 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.865 107.9 52.5 -64.0 -35.0 6.5 4.0 -12.1 105 113 A Q H X S+ 0 0 64 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.941 110.7 47.8 -63.5 -46.2 5.9 7.2 -14.1 106 114 A G H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.925 114.2 45.3 -59.0 -45.7 3.1 5.4 -16.0 107 115 A L H X S+ 0 0 0 -4,-3.0 4,-3.1 2,-0.2 5,-0.3 0.905 109.1 55.5 -67.3 -39.6 1.6 4.1 -12.8 108 116 A A H X S+ 0 0 21 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.925 110.6 47.6 -58.9 -38.8 1.8 7.5 -11.1 109 117 A F H X S+ 0 0 48 -4,-2.1 4,-0.9 2,-0.2 -2,-0.2 0.956 114.7 43.2 -66.5 -53.2 -0.1 8.9 -14.0 110 118 A C H ><>S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.2 3,-1.1 0.932 114.4 50.9 -56.6 -48.1 -2.9 6.2 -14.0 111 119 A H H ><5S+ 0 0 28 -4,-3.1 3,-1.8 1,-0.3 -1,-0.2 0.850 103.5 58.2 -61.7 -34.3 -3.1 6.3 -10.2 112 120 A S H 3<5S+ 0 0 76 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.728 108.5 47.4 -66.7 -23.4 -3.5 10.1 -10.2 113 121 A H T <<5S- 0 0 88 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.206 121.8-111.7 -97.6 12.8 -6.6 9.6 -12.4 114 122 A R T < 5S+ 0 0 191 -3,-1.8 2,-0.5 1,-0.2 -3,-0.2 0.780 73.6 138.3 59.5 33.2 -7.9 6.8 -10.0 115 123 A V < - 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