==== 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 4FKO . COMPND 2 MOLECULE: CYCLIN-DEPENDENT KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.N.KANG,J.A.STUCKEY . 291 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14373.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 62.9 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 13.7 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 0.7 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 . 19 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 25.8 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 61 0, 0.0 3,-1.8 0, 0.0 65,-0.0 0.000 360.0 360.0 360.0 -7.6 13.3 -4.2 38.2 2 2 A E T 3 + 0 0 157 1,-0.3 22,-0.0 3,-0.0 0, 0.0 0.723 360.0 63.5 -64.1 -24.0 13.2 -4.2 42.0 3 3 A N T 3 S+ 0 0 49 20,-0.1 21,-3.7 21,-0.1 22,-0.5 0.431 95.5 73.1 -80.3 -3.9 10.6 -1.4 41.6 4 4 A F E < -A 23 0A 27 -3,-1.8 2,-0.5 19,-0.2 19,-0.2 -0.948 59.7-163.2-122.0 137.5 8.1 -3.9 39.8 5 5 A Q E -A 22 0A 112 17,-2.1 17,-2.8 -2,-0.4 2,-0.1 -0.981 24.5-129.8-115.4 114.9 6.1 -6.7 41.2 6 6 A K E +A 21 0A 85 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.427 25.2 179.3 -65.1 137.4 4.7 -9.2 38.6 7 7 A V E - 0 0 72 13,-3.4 2,-0.3 1,-0.4 14,-0.2 0.806 60.5 -34.2-101.7 -56.8 1.0 -9.9 39.0 8 8 A E E -A 20 0A 113 12,-1.2 12,-3.2 0, 0.0 -1,-0.4 -0.971 61.6 -93.0-164.4 155.9 0.3 -12.4 36.1 9 9 A K E +A 19 0A 106 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.604 37.7 171.7 -72.7 136.9 1.4 -13.2 32.5 10 10 A I E - 0 0 77 8,-2.9 2,-0.3 1,-0.3 9,-0.2 0.484 56.6 -1.5-124.1 -12.1 -0.8 -11.5 29.9 11 11 A G E -A 18 0A 24 7,-1.8 7,-3.1 2,-0.0 -1,-0.3 -0.991 42.2-144.3-172.6 165.3 1.0 -12.3 26.6 12 12 A E E -A 17 0A 38 -2,-0.3 5,-0.3 5,-0.3 21,-0.0 -0.913 26.1-174.7-142.3 106.2 3.8 -13.8 24.6 13 13 A G - 0 0 26 3,-3.5 137,-0.2 -2,-0.3 143,-0.1 0.042 46.1 -84.8 -83.7-162.2 4.9 -11.9 21.5 14 14 A T S S+ 0 0 51 1,-0.1 136,-2.2 136,-0.1 137,-0.4 0.878 125.9 14.4 -76.9 -38.7 7.5 -12.9 18.9 15 15 A Y S S+ 0 0 27 134,-0.2 21,-0.5 1,-0.1 2,-0.3 0.329 126.9 38.5-120.0 6.1 10.5 -11.6 20.9 16 16 A G - 0 0 0 19,-0.2 -3,-3.5 131,-0.1 2,-0.4 -0.999 61.6-128.9-159.3 154.9 9.1 -11.1 24.4 17 17 A V E -AB 12 34A 7 17,-1.6 17,-2.8 -2,-0.3 2,-0.4 -0.818 29.9-146.0 -99.5 137.4 6.7 -12.3 27.3 18 18 A V E -AB 11 33A 28 -7,-3.1 -8,-2.9 -2,-0.4 -7,-1.8 -0.920 16.1-174.0-113.3 131.3 4.4 -9.6 28.7 19 19 A Y E -AB 9 32A 41 13,-2.4 13,-3.2 -2,-0.4 2,-0.4 -0.939 29.2-123.9-120.5 148.5 3.3 -9.4 32.3 20 20 A K E +AB 8 31A 44 -12,-3.2 -13,-3.4 -2,-0.3 -12,-1.2 -0.767 48.6 172.1 -80.0 132.0 0.8 -7.3 34.2 21 21 A A E -AB 6 30A 0 9,-2.6 9,-2.7 -2,-0.4 2,-0.4 -0.959 32.5-122.6-142.1 161.9 3.0 -5.7 37.0 22 22 A R E -AB 5 29A 120 -17,-2.8 -17,-2.1 -2,-0.3 2,-0.7 -0.919 18.4-135.5-108.7 133.8 2.8 -3.2 39.8 23 23 A N E > -A 4 0A 28 5,-3.4 4,-2.6 -2,-0.4 -19,-0.2 -0.782 14.6-159.8 -83.0 112.5 5.2 -0.2 40.0 24 24 A K T 4 S+ 0 0 124 -21,-3.7 -1,-0.1 -2,-0.7 -20,-0.1 0.696 86.2 53.5 -68.9 -22.4 6.1 -0.1 43.7 25 25 A L T 4 S+ 0 0 131 -22,-0.5 -1,-0.2 1,-0.1 -21,-0.1 0.858 126.5 17.5 -80.5 -40.1 7.3 3.6 43.5 26 26 A T T 4 S- 0 0 104 2,-0.2 -2,-0.2 -3,-0.1 3,-0.1 0.620 94.8-125.9-107.7 -19.5 4.0 5.1 42.0 27 27 A G < + 0 0 42 -4,-2.6 -3,-0.1 1,-0.3 2,-0.1 0.417 62.3 141.4 83.7 2.4 1.5 2.3 42.7 28 28 A E - 0 0 115 -5,-0.2 -5,-3.4 -6,-0.1 2,-0.4 -0.436 50.9-129.2 -78.1 148.4 0.6 2.2 39.0 29 29 A V E +B 22 0A 24 -7,-0.2 47,-0.8 -2,-0.1 2,-0.3 -0.820 35.7 174.9 -96.5 137.2 -0.2 -1.1 37.2 30 30 A V E -BC 21 75A 2 -9,-2.7 -9,-2.6 -2,-0.4 2,-0.6 -0.854 37.0-111.6-133.9 167.7 1.7 -1.5 33.9 31 31 A A E -BC 20 74A 11 43,-2.5 43,-3.3 -2,-0.3 2,-0.6 -0.956 35.0-159.7-103.2 120.0 2.3 -4.0 31.1 32 32 A L E -BC 19 73A 2 -13,-3.2 -13,-2.4 -2,-0.6 2,-0.5 -0.909 4.3-160.4-108.5 117.7 5.9 -5.2 31.3 33 33 A K E -BC 18 72A 20 39,-3.0 39,-2.5 -2,-0.6 2,-0.6 -0.865 6.6-160.1 -99.6 123.5 7.5 -6.7 28.2 34 34 A K E -BC 17 71A 59 -17,-2.8 -17,-1.6 -2,-0.5 2,-0.5 -0.927 4.6-167.7-105.9 115.0 10.6 -8.8 29.0 35 35 A I E - C 0 70A 4 35,-2.8 35,-2.2 -2,-0.6 2,-0.4 -0.937 12.7-144.4-106.8 123.3 13.0 -9.4 26.0 36 36 A R E C 0 69A 35 -2,-0.5 112,-2.6 -21,-0.5 33,-0.2 -0.753 360.0 360.0 -86.4 128.5 15.7 -12.1 26.5 37 37 A L 0 0 76 31,-1.5 111,-0.1 -2,-0.4 -1,-0.1 -0.040 360.0 360.0-108.3 360.0 19.0 -11.2 24.8 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 45 A P > 0 0 89 0, 0.0 4,-1.3 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 117.2 22.5 -3.9 20.4 40 46 A S H > + 0 0 73 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.839 360.0 59.2 -66.8 -39.3 23.0 -0.1 20.9 41 47 A T H > S+ 0 0 86 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.850 104.9 52.8 -61.1 -34.4 21.0 0.8 17.7 42 48 A A H > S+ 0 0 6 -3,-0.2 4,-2.6 2,-0.2 5,-0.3 0.915 105.9 51.6 -66.7 -45.2 18.0 -1.0 19.2 43 49 A I H X S+ 0 0 41 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.899 113.9 45.4 -57.6 -44.8 18.2 1.0 22.6 44 50 A R H X S+ 0 0 160 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.927 114.8 46.1 -65.4 -50.1 18.2 4.3 20.6 45 51 A E H X S+ 0 0 81 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.851 113.9 48.0 -63.6 -39.2 15.4 3.3 18.2 46 52 A I H >X S+ 0 0 8 -4,-2.6 4,-0.6 1,-0.2 3,-0.6 0.899 108.9 54.9 -70.8 -37.0 13.1 2.0 21.0 47 53 A S H >< S+ 0 0 51 -4,-2.0 3,-0.8 -5,-0.3 4,-0.3 0.828 101.4 58.6 -64.4 -30.3 13.8 5.2 23.0 48 54 A L H >< S+ 0 0 112 -4,-1.5 3,-1.3 1,-0.2 4,-0.5 0.850 97.5 61.2 -66.8 -30.4 12.6 7.2 20.0 49 55 A L H X< S+ 0 0 25 -4,-0.9 3,-0.6 -3,-0.6 11,-0.3 0.732 88.4 71.1 -67.8 -21.8 9.2 5.3 20.4 50 56 A K T << S+ 0 0 80 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.744 98.4 50.3 -63.7 -24.0 8.8 6.9 23.9 51 57 A E T < S+ 0 0 145 -3,-1.3 2,-1.8 -4,-0.3 -1,-0.2 0.679 84.3 95.9 -84.2 -24.8 8.2 10.2 22.1 52 58 A L < + 0 0 19 -3,-0.6 2,-0.5 -4,-0.5 8,-0.2 -0.505 57.2 166.5 -72.8 78.6 5.5 8.7 19.8 53 59 A N + 0 0 82 -2,-1.8 5,-0.1 6,-0.1 6,-0.0 -0.850 5.0 143.4-107.5 127.6 2.4 9.7 21.8 54 60 A H > - 0 0 48 -2,-0.5 3,-2.1 3,-0.4 54,-0.0 -0.977 57.7-109.9-154.2 152.9 -1.2 9.6 20.5 55 61 A P T 3 S+ 0 0 93 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.737 119.8 47.6 -57.6 -25.7 -4.7 8.7 22.0 56 62 A N T 3 S+ 0 0 9 80,-0.1 81,-2.8 48,-0.1 2,-0.4 0.129 98.7 82.1-106.9 24.3 -4.7 5.5 19.9 57 63 A I B < S-e 137 0B 7 -3,-2.1 -3,-0.4 79,-0.3 2,-0.2 -0.994 84.5-119.0-127.8 127.2 -1.2 4.4 20.7 58 64 A V - 0 0 11 79,-3.0 81,-0.2 -2,-0.4 2,-0.2 -0.503 42.6-111.2 -61.9 124.2 -0.4 2.4 24.0 59 65 A K - 0 0 105 -2,-0.2 16,-2.5 -4,-0.1 2,-0.8 -0.463 17.6-144.4 -65.7 129.5 2.0 4.7 25.9 60 66 A L E -D 74 0A 15 -11,-0.3 14,-0.2 -2,-0.2 3,-0.1 -0.864 22.7-179.5 -90.4 104.0 5.6 3.4 26.1 61 67 A L E - 0 0 55 12,-2.5 2,-0.3 -2,-0.8 13,-0.2 0.862 54.9 -5.0 -77.5 -42.1 6.5 4.7 29.6 62 68 A D E -D 73 0A 79 11,-1.4 11,-2.8 2,-0.0 2,-0.5 -0.994 45.4-144.7-158.2 154.7 10.1 3.5 30.0 63 69 A V E -D 72 0A 28 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.998 22.7-167.8-121.3 115.1 12.9 1.4 28.5 64 70 A I E -D 71 0A 39 7,-3.1 7,-2.7 -2,-0.5 2,-0.6 -0.958 4.4-170.3-113.1 117.6 15.0 -0.3 31.2 65 71 A H E +D 70 0A 112 -2,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.937 29.4 137.3-109.8 108.4 18.3 -1.9 30.0 66 72 A T E > -D 69 0A 81 3,-1.5 3,-1.0 -2,-0.6 -2,-0.1 -0.947 58.1 -4.9-156.1 138.0 19.8 -4.1 32.8 67 73 A E T 3 S- 0 0 96 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.860 120.7 -51.0 42.5 70.4 21.6 -7.5 33.1 68 74 A N T 3 S+ 0 0 79 1,-0.1 -31,-1.5 -32,-0.1 2,-0.3 0.625 119.8 98.0 50.2 23.4 21.4 -9.0 29.5 69 75 A K E < -CD 36 66A 14 -3,-1.0 -3,-1.5 -33,-0.2 2,-0.5 -0.956 62.0-146.8-133.7 151.1 17.6 -8.3 29.4 70 76 A L E -CD 35 65A 2 -35,-2.2 -35,-2.8 -2,-0.3 2,-0.5 -0.990 14.3-163.6-121.7 121.4 15.6 -5.4 27.9 71 77 A Y E -CD 34 64A 39 -7,-2.7 -7,-3.1 -2,-0.5 2,-0.5 -0.932 4.2-163.4-109.0 129.2 12.3 -4.4 29.7 72 78 A L E -CD 33 63A 2 -39,-2.5 -39,-3.0 -2,-0.5 2,-0.6 -0.935 9.2-154.8-108.1 123.7 9.7 -2.2 28.0 73 79 A V E +CD 32 62A 4 -11,-2.8 -12,-2.5 -2,-0.5 -11,-1.4 -0.923 17.9 180.0-104.5 114.9 7.2 -0.6 30.4 74 80 A F E -CD 31 60A 17 -43,-3.3 -43,-2.5 -2,-0.6 -14,-0.2 -0.814 36.0 -98.9-111.0 155.0 3.8 0.2 28.8 75 81 A E E -C 30 0A 54 -16,-2.5 2,-0.5 -2,-0.3 -45,-0.2 -0.393 49.1-112.5 -60.5 149.3 0.6 1.7 30.2 76 82 A F - 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0 0 83 -188,-0.4 -2,-0.0 2,-0.0 -1,-0.0 -0.772 36.4-114.0-134.8 178.7 -19.7 7.3 16.6 285 291 A K - 0 0 125 -2,-0.2 -188,-0.1 -185,-0.0 -151,-0.1 -0.733 39.2-175.5-123.4 80.5 -17.9 6.3 19.8 286 292 A P - 0 0 35 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.295 27.6-112.3 -73.2 164.8 -20.0 3.5 21.5 287 293 A V - 0 0 112 -154,-0.0 -155,-0.1 -2,-0.0 2,-0.1 -0.832 29.6-135.8 -91.9 127.0 -19.2 1.9 24.9 288 294 A P - 0 0 10 0, 0.0 2,-0.9 0, 0.0 -195,-0.0 -0.455 17.2-118.9 -77.0 159.6 -18.2 -1.8 24.7 289 295 A H - 0 0 96 -2,-0.1 2,-0.5 -205,-0.1 -158,-0.0 -0.882 41.9-170.3 -96.4 102.4 -19.7 -4.3 27.2 290 296 A L - 0 0 38 -2,-0.9 2,-0.7 -159,-0.1 -206,-0.0 -0.912 20.4-160.6-103.5 128.4 -16.5 -5.5 28.9 291 297 A R 0 0 77 -2,-0.5 -204,-0.1 -207,-0.0 -2,-0.0 -0.932 360.0 360.0-102.2 107.6 -16.3 -8.4 31.3 292 298 A L 0 0 133 -2,-0.7 -213,-0.1 -213,-0.0 -214,-0.0 -0.868 360.0 360.0-105.5 360.0 -13.1 -7.9 33.3