==== 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 4FKI . COMPND 2 MOLECULE: CYCLIN-DEPENDENT KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.N.KANG,J.A.STUCKEY . 287 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14422.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 64.5 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 13.2 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 . 2 0.7 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 . 16 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 2 2 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 62 0, 0.0 3,-2.1 0, 0.0 62,-0.0 0.000 360.0 360.0 360.0 -14.6 13.2 -4.2 39.4 2 2 A E T 3 + 0 0 87 1,-0.3 22,-0.0 3,-0.0 0, 0.0 0.579 360.0 71.1 -67.4 -7.3 13.1 -4.4 43.2 3 3 A N T 3 S+ 0 0 81 20,-0.1 21,-2.7 21,-0.0 2,-0.4 0.492 91.3 74.0 -85.2 -4.4 10.6 -1.5 42.8 4 4 A F E < -A 23 0A 26 -3,-2.1 2,-0.5 19,-0.2 19,-0.2 -0.918 61.1-158.8-120.3 140.1 7.9 -4.0 41.3 5 5 A Q E -A 22 0A 97 17,-2.4 17,-2.6 -2,-0.4 2,-0.1 -0.964 25.7-129.1-110.4 117.5 5.7 -6.7 42.9 6 6 A K E +A 21 0A 133 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.467 26.1 179.3 -67.2 136.0 4.5 -9.3 40.4 7 7 A V E - 0 0 56 13,-3.2 2,-0.3 1,-0.4 14,-0.2 0.802 60.8 -34.1-101.9 -51.7 0.7 -9.8 40.6 8 8 A E E -A 20 0A 111 12,-1.2 12,-3.4 0, 0.0 -1,-0.4 -0.935 65.2 -89.0-167.4 158.8 0.1 -12.4 38.0 9 9 A K E -A 19 0A 121 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.607 25.8-169.7 -77.2 130.2 1.3 -13.6 34.5 10 10 A I E - 0 0 78 8,-2.9 2,-0.3 1,-0.4 9,-0.2 0.829 57.2 -83.3 -83.3 -44.3 -0.5 -11.9 31.6 11 11 A G E -A 18 0A 23 7,-1.7 7,-3.1 0, 0.0 2,-0.7 -0.974 46.6 -58.9 164.1-173.8 1.1 -14.2 29.1 12 12 A E E -A 17 0A 36 -2,-0.3 5,-0.2 5,-0.2 137,-0.1 -0.913 51.0-163.6-102.5 110.4 4.0 -15.2 27.0 13 13 A G - 0 0 17 3,-2.5 137,-0.3 -2,-0.7 138,-0.3 -0.038 36.1 -95.0 -79.2-171.1 4.8 -12.5 24.5 14 14 A T S S+ 0 0 28 135,-0.1 136,-0.7 1,-0.1 137,-0.1 0.889 123.7 27.2 -72.8 -42.0 6.9 -12.8 21.3 15 15 A Y S S- 0 0 49 1,-0.2 21,-1.0 134,-0.1 2,-0.3 0.749 131.6 -37.3 -95.8 -27.4 10.1 -11.5 23.0 16 16 A G S S- 0 0 3 19,-0.2 -3,-2.5 20,-0.0 -1,-0.2 -0.959 78.4 -45.9-176.1-172.4 9.5 -12.6 26.6 17 17 A V E -A 12 0A 20 17,-0.4 17,-2.5 -2,-0.3 2,-0.4 -0.482 43.2-147.3 -78.0 147.7 7.0 -13.1 29.5 18 18 A V E -AB 11 33A 25 -7,-3.1 -8,-2.9 15,-0.2 -7,-1.7 -0.972 17.0-173.2-117.1 126.8 4.5 -10.3 30.4 19 19 A Y E -AB 9 32A 62 13,-2.4 13,-3.2 -2,-0.4 2,-0.4 -0.935 27.7-128.3-118.5 146.5 3.4 -9.8 34.0 20 20 A K E +AB 8 31A 36 -12,-3.4 -13,-3.2 -2,-0.4 -12,-1.2 -0.779 47.5 173.8 -81.8 132.4 0.8 -7.6 35.7 21 21 A A E -AB 6 30A 0 9,-2.8 9,-2.7 -2,-0.4 2,-0.4 -0.943 32.4-126.6-142.8 164.0 2.8 -5.8 38.4 22 22 A R E -AB 5 29A 98 -17,-2.6 -17,-2.4 -2,-0.3 2,-0.7 -0.956 18.0-136.7-115.9 131.1 2.6 -3.1 41.1 23 23 A N E > -A 4 0A 24 5,-3.6 4,-2.3 -2,-0.4 5,-0.3 -0.794 15.1-153.4 -84.9 110.2 5.1 -0.2 41.3 24 24 A K T 4 S+ 0 0 132 -21,-2.7 -1,-0.1 -2,-0.7 -20,-0.1 0.659 87.5 47.4 -61.6 -24.4 5.8 0.1 45.1 25 25 A L T 4 S+ 0 0 141 -22,-0.4 -1,-0.2 1,-0.1 -21,-0.1 0.907 126.0 22.8 -86.2 -46.9 6.7 3.8 45.1 26 26 A T T 4 S- 0 0 99 2,-0.1 -2,-0.2 -3,-0.0 3,-0.1 0.563 97.3-124.6 -95.1 -16.7 3.8 5.3 43.0 27 27 A G < + 0 0 49 -4,-2.3 -3,-0.2 1,-0.3 2,-0.1 0.450 56.7 158.7 80.5 4.1 1.3 2.5 43.7 28 28 A E - 0 0 82 -5,-0.3 -5,-3.6 -6,-0.1 2,-0.5 -0.324 38.8-141.8 -63.4 135.3 1.0 2.2 39.9 29 29 A V E +B 22 0A 52 -7,-0.2 46,-0.6 -3,-0.1 2,-0.3 -0.872 36.5 164.8 -96.6 126.8 -0.3 -1.1 38.3 30 30 A V E -BC 21 74A 0 -9,-2.7 -9,-2.8 -2,-0.5 2,-0.5 -0.858 42.2-110.6-134.6 172.5 1.6 -1.8 35.1 31 31 A A E -BC 20 73A 11 42,-2.6 42,-3.2 -2,-0.3 2,-0.6 -0.954 32.7-158.4-107.3 126.2 2.4 -4.5 32.5 32 32 A L E -BC 19 72A 7 -13,-3.2 -13,-2.4 -2,-0.5 2,-0.5 -0.933 3.9-163.3-112.0 118.7 6.0 -5.6 32.8 33 33 A K E -BC 18 71A 2 38,-3.0 38,-2.5 -2,-0.6 2,-0.6 -0.877 6.6-153.8-103.3 122.6 7.7 -7.3 29.8 34 34 A K E - C 0 70A 94 -17,-2.5 2,-0.5 -2,-0.5 -17,-0.4 -0.871 10.2-162.4 -96.3 117.1 10.9 -9.2 30.4 35 35 A I E C 0 69A 13 34,-3.4 34,-1.8 -2,-0.6 -19,-0.2 -0.893 360.0 360.0-101.0 124.9 13.1 -9.3 27.2 36 36 A R 0 0 115 -21,-1.0 -1,-0.1 -2,-0.5 -20,-0.0 -0.109 360.0 360.0-133.3 360.0 15.9 -12.0 27.1 37 ! 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 38 45 A P >> 0 0 125 0, 0.0 4,-1.4 0, 0.0 3,-0.8 0.000 360.0 360.0 360.0 119.3 22.6 -4.7 22.1 39 46 A S H 3> + 0 0 55 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.807 360.0 59.2 -56.5 -42.2 23.0 -0.8 22.0 40 47 A T H 3> S+ 0 0 106 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.816 106.3 50.3 -60.6 -33.0 21.0 -0.2 18.8 41 48 A A H <> S+ 0 0 3 -3,-0.8 4,-2.8 2,-0.2 5,-0.3 0.919 107.6 52.8 -70.7 -41.6 18.0 -1.8 20.5 42 49 A I H X S+ 0 0 45 -4,-1.4 4,-2.6 1,-0.2 -2,-0.2 0.930 113.0 44.8 -58.4 -45.5 18.4 0.5 23.6 43 50 A R H X S+ 0 0 163 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.905 114.9 46.5 -65.8 -44.9 18.4 3.6 21.3 44 51 A E H X S+ 0 0 35 -4,-2.0 4,-0.9 2,-0.2 -1,-0.2 0.891 115.5 46.5 -66.3 -40.9 15.4 2.4 19.1 45 52 A I H >X S+ 0 0 0 -4,-2.8 3,-0.9 2,-0.2 4,-0.7 0.917 108.7 55.0 -67.8 -42.7 13.4 1.5 22.3 46 53 A S H >< S+ 0 0 40 -4,-2.6 3,-0.8 -5,-0.3 4,-0.3 0.850 103.6 56.5 -61.6 -31.7 14.3 4.8 24.0 47 54 A L H >< S+ 0 0 97 -4,-1.6 3,-1.1 1,-0.2 4,-0.4 0.795 98.8 61.1 -68.9 -27.9 12.9 6.6 20.9 48 55 A L H X< S+ 0 0 11 -3,-0.9 3,-0.7 -4,-0.9 11,-0.3 0.735 87.9 71.7 -72.3 -19.6 9.5 4.8 21.4 49 56 A K T << S+ 0 0 80 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.698 100.4 47.7 -63.4 -23.5 9.1 6.4 24.9 50 57 A E T < S+ 0 0 145 -3,-1.1 2,-1.9 -4,-0.3 -1,-0.2 0.580 85.8 92.7 -89.2 -22.4 8.4 9.7 23.0 51 58 A L < + 0 0 17 -3,-0.7 2,-0.5 -4,-0.4 8,-0.1 -0.539 61.1 166.6 -80.4 73.3 5.9 8.2 20.6 52 59 A N + 0 0 73 -2,-1.9 5,-0.1 6,-0.1 -3,-0.0 -0.815 6.9 145.6-101.7 130.1 2.8 9.0 22.7 53 60 A H > - 0 0 45 -2,-0.5 3,-2.0 3,-0.4 54,-0.0 -0.975 55.3-114.0-155.5 149.7 -0.8 8.9 21.5 54 61 A P T 3 S+ 0 0 93 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.689 118.2 49.4 -62.1 -21.6 -4.2 8.0 23.2 55 62 A N T 3 S+ 0 0 10 80,-0.1 81,-2.7 48,-0.1 2,-0.4 0.182 98.3 81.2-104.4 20.5 -4.5 4.9 20.9 56 63 A I B < S-e 136 0B 10 -3,-2.0 -3,-0.4 79,-0.3 2,-0.2 -0.990 89.2-114.1-121.9 129.3 -0.9 3.6 21.6 57 64 A V - 0 0 9 79,-2.6 2,-0.2 -2,-0.4 82,-0.1 -0.440 44.2-111.5 -63.0 124.9 -0.2 1.7 24.8 58 65 A K - 0 0 88 -2,-0.2 16,-2.5 -4,-0.1 2,-0.8 -0.416 16.4-143.8 -68.5 128.6 2.1 4.0 26.8 59 66 A L E -D 73 0A 12 -11,-0.3 14,-0.2 14,-0.2 3,-0.1 -0.833 22.8-178.9 -86.7 106.8 5.7 2.8 27.2 60 67 A L E - 0 0 34 12,-2.4 2,-0.3 -2,-0.8 13,-0.2 0.869 56.4 -11.4 -79.8 -41.8 6.3 4.2 30.8 61 68 A D E -D 72 0A 92 11,-1.5 11,-2.9 2,-0.0 2,-0.4 -0.990 48.5-140.4-161.0 156.3 10.0 3.1 31.3 62 69 A V E -D 71 0A 27 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.992 21.3-169.7-121.0 123.7 12.9 1.1 29.9 63 70 A I E -D 70 0A 46 7,-3.2 7,-3.2 -2,-0.4 2,-0.5 -0.970 5.5-172.8-121.8 121.4 15.1 -0.7 32.4 64 71 A H E +D 69 0A 108 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.952 23.0 149.9-114.8 114.2 18.4 -2.4 31.4 65 72 A T E > -D 68 0A 49 3,-2.5 3,-2.4 -2,-0.5 -2,-0.1 -0.980 62.1 -5.3-149.9 136.7 20.0 -4.5 34.2 66 73 A E T 3 S- 0 0 110 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.796 126.0 -58.0 48.7 41.6 22.3 -7.6 34.4 67 74 A N T 3 S+ 0 0 95 1,-0.3 2,-0.3 -31,-0.0 -1,-0.3 0.461 117.2 115.4 69.3 7.7 22.0 -8.1 30.5 68 75 A K E < - 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