==== 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 4FKV . COMPND 2 MOLECULE: CYCLIN-DEPENDENT KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.N.KANG,J.A.STUCKEY . 282 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14191.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 62.4 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 14.2 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 . 18 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 26.2 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 0 2 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 . 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,-1.4 0, 0.0 65,-0.0 0.000 360.0 360.0 360.0 -12.8 -27.0 -21.1 -14.1 2 2 A E T 3 + 0 0 145 1,-0.3 22,-0.0 3,-0.0 0, 0.0 0.618 360.0 73.7 -70.5 -14.0 -26.6 -24.9 -13.8 3 3 A N T 3 S+ 0 0 72 20,-0.1 21,-2.9 21,-0.1 22,-0.5 0.433 89.3 72.4 -77.7 -4.6 -24.1 -24.5 -16.8 4 4 A F E < -A 23 0A 28 -3,-1.4 2,-0.5 19,-0.2 19,-0.2 -0.948 62.5-157.1-123.1 138.8 -21.4 -22.9 -14.4 5 5 A Q E -A 22 0A 97 17,-2.5 17,-2.6 -2,-0.4 2,-0.2 -0.964 24.4-130.8-109.3 117.8 -19.2 -24.4 -11.7 6 6 A K E +A 21 0A 117 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.485 26.1 177.3 -69.1 137.1 -18.0 -21.9 -9.1 7 7 A V E - 0 0 50 13,-3.1 2,-0.3 1,-0.4 14,-0.2 0.800 61.2 -30.2-104.3 -54.9 -14.2 -22.1 -8.4 8 8 A E E -A 20 0A 115 12,-1.1 12,-3.2 0, 0.0 2,-0.4 -0.973 60.4 -96.4-163.4 156.5 -13.8 -19.2 -5.8 9 9 A K E -A 19 0A 138 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.635 34.4-179.2 -74.5 124.6 -15.1 -15.8 -4.7 10 10 A I E - 0 0 73 8,-3.0 2,-0.3 -2,-0.4 9,-0.2 0.466 56.0 -37.7-109.9 1.0 -12.9 -13.1 -6.4 11 11 A G E -A 18 0A 29 7,-1.1 7,-2.7 2,-0.0 2,-0.3 -0.910 44.2-119.4 160.6 171.2 -14.6 -10.0 -4.9 12 12 A E E +A 17 0A 72 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.964 28.5 174.1-144.3 120.9 -17.7 -8.0 -3.8 13 13 A G - 0 0 43 3,-2.6 -2,-0.0 -2,-0.3 137,-0.0 -0.312 50.6 -85.4-107.9-167.2 -18.9 -4.7 -5.2 14 14 A T S S+ 0 0 96 1,-0.1 3,-0.1 -2,-0.1 22,-0.1 0.897 127.3 44.8 -69.9 -41.8 -21.9 -2.4 -4.8 15 15 A Y S S- 0 0 33 1,-0.2 21,-2.4 20,-0.1 2,-0.3 0.937 123.8 -71.3 -68.5 -50.9 -24.0 -4.4 -7.4 16 16 A G E - B 0 35A 12 19,-0.2 -3,-2.6 21,-0.0 2,-0.2 -0.963 59.7 -41.2 179.5-165.2 -23.0 -7.9 -6.1 17 17 A V E -AB 12 34A 33 17,-0.7 17,-2.3 -2,-0.3 2,-0.4 -0.629 41.6-148.1 -91.6 142.4 -20.5 -10.8 -5.6 18 18 A V E -AB 11 33A 30 -7,-2.7 -8,-3.0 -2,-0.2 -7,-1.1 -0.960 15.1-172.7-114.7 128.8 -18.0 -12.0 -8.3 19 19 A Y E -AB 9 32A 51 13,-3.0 13,-3.3 -2,-0.4 2,-0.4 -0.927 27.5-126.7-117.3 146.7 -16.9 -15.6 -8.7 20 20 A K E +AB 8 31A 39 -12,-3.2 -13,-3.1 -2,-0.4 -12,-1.1 -0.721 48.2 171.6 -81.1 134.9 -14.3 -17.2 -10.8 21 21 A A E -AB 6 30A 0 9,-2.8 9,-2.9 -2,-0.4 2,-0.4 -0.966 33.7-125.5-146.3 161.5 -16.3 -20.0 -12.6 22 22 A R E -AB 5 29A 111 -17,-2.6 -17,-2.5 -2,-0.3 2,-0.7 -0.953 20.9-133.2-114.5 132.0 -16.0 -22.7 -15.3 23 23 A N E > -A 4 0A 21 5,-3.3 4,-3.0 -2,-0.4 3,-0.3 -0.756 12.0-157.9 -81.4 107.9 -18.5 -22.9 -18.2 24 24 A K T 4 S+ 0 0 140 -21,-2.9 -1,-0.1 -2,-0.7 -20,-0.1 0.712 89.9 52.2 -63.3 -20.7 -19.5 -26.6 -18.4 25 25 A L T 4 S+ 0 0 79 -22,-0.5 -1,-0.2 1,-0.1 -21,-0.1 0.810 127.2 16.6 -85.3 -36.6 -20.6 -26.1 -22.1 26 26 A T T 4 S- 0 0 97 -3,-0.3 -2,-0.2 2,-0.1 3,-0.1 0.590 94.0-123.7-112.0 -16.6 -17.4 -24.4 -23.5 27 27 A G < + 0 0 56 -4,-3.0 -3,-0.1 1,-0.3 -2,-0.0 0.368 60.6 154.0 83.9 -1.6 -14.8 -25.3 -20.7 28 28 A E - 0 0 82 -5,-0.2 -5,-3.3 -6,-0.1 2,-0.5 -0.261 44.2-136.1 -60.6 140.2 -14.3 -21.5 -20.5 29 29 A V E +B 22 0A 58 -7,-0.2 49,-0.5 -3,-0.1 2,-0.3 -0.880 39.4 165.1 -99.4 127.5 -13.0 -19.9 -17.3 30 30 A V E -BC 21 77A 0 -9,-2.9 -9,-2.8 -2,-0.5 2,-0.5 -0.857 42.9-110.2-136.7 171.9 -15.1 -16.7 -16.6 31 31 A A E -BC 20 76A 10 45,-2.5 45,-3.1 -2,-0.3 2,-0.5 -0.963 33.8-158.6-106.9 121.2 -16.0 -14.2 -13.9 32 32 A L E -BC 19 75A 3 -13,-3.3 -13,-3.0 -2,-0.5 2,-0.5 -0.913 4.9-165.6-107.3 122.0 -19.6 -14.6 -12.9 33 33 A K E -BC 18 74A 9 41,-3.1 41,-2.7 -2,-0.5 2,-0.7 -0.940 7.6-155.5-111.6 121.6 -21.3 -11.7 -11.3 34 34 A K E -BC 17 73A 22 -17,-2.3 -17,-0.7 -2,-0.5 2,-0.5 -0.873 17.6-142.2 -96.3 113.4 -24.6 -12.2 -9.4 35 35 A I E -BC 16 72A 29 37,-3.3 37,-0.8 -2,-0.7 2,-0.5 -0.699 11.1-133.5 -81.3 123.0 -26.5 -8.8 -9.4 36 36 A R 0 0 80 -21,-2.4 35,-0.1 -2,-0.5 -1,-0.0 -0.670 360.0 360.0 -78.0 119.6 -28.3 -8.2 -6.1 37 37 A L 0 0 118 -2,-0.5 3,-0.1 33,-0.1 -22,-0.0 -0.958 360.0 360.0-117.7 360.0 -31.9 -7.0 -6.9 38 ! 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 39 43 A G 0 0 93 0, 0.0 32,-0.1 0, 0.0 33,-0.1 0.000 360.0 360.0 360.0-122.8 -37.8 -8.9 -10.7 40 44 A V - 0 0 16 31,-0.1 2,-0.1 1,-0.1 30,-0.1 -0.618 360.0-112.5 -79.0 131.4 -35.1 -7.1 -12.8 41 45 A P >> - 0 0 64 0, 0.0 4,-1.8 0, 0.0 3,-0.5 -0.403 13.5-131.3 -68.0 141.9 -36.2 -3.7 -14.2 42 46 A S H 3> S+ 0 0 71 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.812 107.9 59.7 -57.8 -35.9 -36.6 -3.4 -18.1 43 47 A T H 3> S+ 0 0 107 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.871 106.7 46.8 -61.2 -41.5 -34.4 -0.2 -18.1 44 48 A A H <> S+ 0 0 29 -3,-0.5 4,-2.7 2,-0.2 5,-0.3 0.894 110.1 52.6 -69.2 -42.2 -31.5 -2.3 -16.6 45 49 A I H X S+ 0 0 39 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.911 112.3 45.0 -60.5 -44.8 -31.9 -5.1 -19.1 46 50 A R H X S+ 0 0 169 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.924 115.5 46.6 -67.4 -43.8 -31.8 -2.7 -22.1 47 51 A E H X S+ 0 0 30 -4,-2.0 4,-1.3 2,-0.2 3,-0.2 0.901 114.2 46.8 -64.0 -45.6 -28.8 -0.7 -20.7 48 52 A I H X S+ 0 0 18 -4,-2.7 4,-1.1 1,-0.2 3,-0.3 0.900 108.1 56.6 -67.5 -36.0 -26.8 -3.9 -19.9 49 53 A S H < S+ 0 0 58 -4,-2.2 4,-0.4 -5,-0.3 3,-0.3 0.839 103.3 55.4 -63.4 -30.4 -27.7 -5.4 -23.3 50 54 A L H >< S+ 0 0 116 -4,-1.3 3,-1.5 -3,-0.2 4,-0.4 0.884 100.8 58.6 -67.1 -37.5 -26.1 -2.2 -24.9 51 55 A L H >< S+ 0 0 14 -4,-1.3 3,-1.2 -3,-0.3 11,-0.3 0.794 91.7 69.0 -63.6 -28.7 -22.8 -3.0 -22.9 52 56 A K T 3< S+ 0 0 65 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.735 103.3 45.0 -58.7 -27.1 -22.5 -6.4 -24.7 53 57 A E T < S+ 0 0 149 -3,-1.5 2,-1.9 -4,-0.4 -1,-0.3 0.529 86.3 94.0 -95.4 -9.4 -21.8 -4.5 -27.9 54 58 A L < + 0 0 16 -3,-1.2 2,-0.4 -4,-0.4 8,-0.1 -0.553 61.3 167.3 -83.2 71.5 -19.3 -2.0 -26.3 55 59 A N + 0 0 67 -2,-1.9 5,-0.1 6,-0.1 -3,-0.0 -0.800 6.7 145.7 -99.8 129.8 -16.3 -4.2 -27.2 56 60 A H > - 0 0 42 -2,-0.4 3,-2.0 3,-0.4 54,-0.0 -0.980 55.7-113.8-154.7 149.0 -12.6 -3.0 -27.1 57 61 A P T 3 S+ 0 0 92 0, 0.0 4,-0.1 0, 0.0 53,-0.0 0.736 118.7 47.9 -59.6 -21.7 -9.2 -4.7 -26.2 58 62 A N T 3 S+ 0 0 10 80,-0.1 81,-2.7 48,-0.1 2,-0.4 0.140 98.2 82.8-106.4 19.0 -9.0 -2.6 -23.0 59 63 A I B < S-e 139 0B 11 -3,-2.0 -3,-0.4 79,-0.3 2,-0.2 -0.992 89.0-115.0-121.9 124.4 -12.5 -3.3 -21.9 60 64 A V - 0 0 11 79,-2.9 2,-0.2 -2,-0.4 82,-0.2 -0.414 44.2-112.4 -59.2 119.3 -13.3 -6.5 -19.9 61 65 A K - 0 0 90 -2,-0.2 16,-2.8 -4,-0.1 2,-0.8 -0.409 16.0-143.3 -63.5 128.2 -15.6 -8.4 -22.3 62 66 A L E -D 76 0A 11 -11,-0.3 14,-0.2 14,-0.2 3,-0.1 -0.827 23.0-178.6 -86.0 105.9 -19.2 -8.9 -21.2 63 67 A L E - 0 0 29 12,-2.4 2,-0.3 -2,-0.8 13,-0.2 0.897 56.5 -7.1 -79.5 -42.5 -19.8 -12.4 -22.6 64 68 A D E -D 75 0A 82 11,-1.5 11,-2.8 2,-0.0 2,-0.5 -0.992 47.8-142.0-158.6 152.7 -23.5 -12.9 -21.6 65 69 A V E -D 74 0A 33 -2,-0.3 2,-0.7 9,-0.2 9,-0.2 -0.988 21.3-165.6-116.2 113.5 -26.4 -11.5 -19.7 66 70 A I E -D 73 0A 37 7,-3.1 7,-2.7 -2,-0.5 2,-0.7 -0.931 6.4-176.4-110.6 106.2 -28.4 -14.2 -18.0 67 71 A H E +D 72 0A 96 -2,-0.7 2,-0.3 5,-0.2 5,-0.2 -0.909 24.1 149.0-104.6 99.1 -31.8 -13.0 -16.8 68 72 A T E > -D 71 0A 81 3,-1.9 3,-1.7 -2,-0.7 -2,-0.1 -0.998 58.8 -8.4-140.3 135.0 -33.5 -16.0 -14.9 69 73 A E T 3 S- 0 0 95 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.862 122.5 -55.9 45.7 59.0 -35.9 -16.2 -11.9 70 74 A N T 3 S+ 0 0 62 1,-0.2 2,-0.3 -30,-0.1 -1,-0.3 0.426 119.2 110.3 59.8 2.7 -35.9 -12.5 -10.9 71 75 A K E < - 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