==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 09-NOV-10 3PJ8 . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR I.W.MCNAE,R.JORDA,L.HAVLICEK,M.STRNAD,J.VOLLER,M.D.WALKINSHA . 288 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14724.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 63.2 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 . 39 13.5 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 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 26.7 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+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 4 0 0 1 0 0 1 1 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 1 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 0 A G > 0 0 39 0, 0.0 3,-1.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 -71.7 29.2 22.3 -16.9 2 1 A M G > + 0 0 43 1,-0.2 3,-2.0 2,-0.2 67,-0.0 0.630 360.0 81.2 -74.1 -15.3 26.7 21.7 -14.1 3 2 A E G 3 S+ 0 0 157 1,-0.3 -1,-0.2 3,-0.1 22,-0.0 0.652 79.6 69.6 -61.2 -13.8 26.3 25.5 -14.1 4 3 A N G < S+ 0 0 64 -3,-1.1 21,-3.4 20,-0.1 22,-0.4 0.620 94.4 65.1 -79.3 -12.3 24.0 24.8 -17.1 5 4 A F E < -A 24 0A 27 -3,-2.0 2,-0.6 19,-0.2 19,-0.2 -0.926 65.9-155.2-120.5 134.2 21.4 23.2 -14.7 6 5 A Q E -A 23 0A 78 17,-2.4 17,-2.1 -2,-0.4 -3,-0.1 -0.926 25.3-124.1-108.2 118.9 19.4 24.7 -12.0 7 6 A K E +A 22 0A 101 -2,-0.6 15,-0.3 15,-0.2 3,-0.1 -0.305 29.1 177.1 -53.7 137.2 18.2 22.4 -9.2 8 7 A V E - 0 0 62 13,-3.2 2,-0.3 1,-0.4 14,-0.2 0.716 61.3 -36.9-108.2 -45.8 14.4 22.5 -8.9 9 8 A E E -A 21 0A 113 12,-1.6 12,-3.2 0, 0.0 2,-0.4 -0.939 62.8 -88.3-172.6 155.8 13.9 19.9 -6.2 10 9 A K E -A 20 0A 117 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.594 30.0-172.7 -72.4 126.2 15.1 16.5 -5.0 11 10 A I E - 0 0 80 8,-2.4 2,-0.3 -2,-0.4 9,-0.2 0.852 52.9 -81.3 -84.7 -41.2 13.3 13.7 -6.7 12 11 A G E -A 19 0A 25 7,-1.9 7,-2.8 2,-0.0 2,-0.7 -0.941 48.0 -59.1 160.3 179.4 14.8 10.9 -4.6 13 12 A E E -A 18 0A 114 -2,-0.3 5,-0.2 5,-0.2 2,-0.0 -0.829 49.0-162.8 -95.3 112.6 17.7 8.6 -3.9 14 13 A G - 0 0 23 3,-2.1 5,-0.0 -2,-0.7 117,-0.0 -0.186 33.6-102.0 -80.0-179.3 18.4 6.3 -6.8 15 14 A T S S+ 0 0 47 1,-0.2 3,-0.1 -2,-0.0 -1,-0.1 0.882 121.0 27.5 -70.9 -40.1 20.5 3.1 -6.7 16 15 A Y S S- 0 0 23 1,-0.3 21,-3.2 21,-0.1 2,-0.3 0.337 132.8 -26.0-108.1 4.0 23.6 4.7 -8.2 17 16 A G E S- B 0 36A 1 19,-0.2 -3,-2.1 20,-0.1 -1,-0.3 -0.910 75.7 -62.6 164.2 169.6 23.1 8.3 -7.0 18 17 A V E -AB 13 35A 30 17,-0.6 17,-1.9 -2,-0.3 2,-0.4 -0.447 44.1-147.5 -74.5 147.7 20.8 11.1 -6.0 19 18 A V E -AB 12 34A 26 -7,-2.8 -8,-2.4 15,-0.2 -7,-1.9 -0.979 14.8-175.3-123.1 131.3 18.2 12.4 -8.5 20 19 A Y E -AB 10 33A 52 13,-2.5 13,-3.1 -2,-0.4 2,-0.4 -0.940 28.9-123.4-121.6 143.5 17.0 15.9 -8.8 21 20 A K E +AB 9 32A 42 -12,-3.2 -13,-3.2 -2,-0.4 -12,-1.6 -0.720 49.0 169.8 -76.7 135.7 14.4 17.6 -10.9 22 21 A A E -AB 7 31A 1 9,-2.5 9,-2.8 -2,-0.4 2,-0.4 -0.954 32.2-126.4-148.5 161.6 16.3 20.4 -12.8 23 22 A R E -AB 6 30A 93 -17,-2.1 -17,-2.4 -2,-0.3 2,-0.6 -0.949 20.3-129.2-117.5 134.6 16.1 22.9 -15.5 24 23 A N E > -A 5 0A 11 5,-3.1 4,-2.3 -2,-0.4 -19,-0.2 -0.722 17.3-154.1 -77.6 119.0 18.4 23.4 -18.4 25 24 A K T 4 S+ 0 0 122 -21,-3.4 -1,-0.2 -2,-0.6 -20,-0.1 0.813 89.7 44.6 -66.7 -31.7 19.3 27.1 -18.4 26 25 A L T 4 S+ 0 0 129 -22,-0.4 -1,-0.2 1,-0.1 -21,-0.1 0.936 128.9 21.7 -78.2 -48.1 20.1 27.2 -22.1 27 26 A T T 4 S- 0 0 78 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.608 93.0-132.3 -98.8 -16.9 17.2 25.2 -23.6 28 27 A G < + 0 0 34 -4,-2.3 2,-0.1 1,-0.3 -3,-0.1 0.476 54.4 146.9 77.0 2.4 14.7 25.6 -20.7 29 28 A E - 0 0 76 -6,-0.1 -5,-3.1 -5,-0.1 2,-0.4 -0.453 46.2-132.2 -71.7 140.8 13.9 21.9 -20.7 30 29 A V E +B 23 0A 59 -7,-0.2 51,-0.5 -2,-0.1 -7,-0.2 -0.820 37.4 165.9 -93.4 135.8 13.1 20.3 -17.4 31 30 A V E -BC 22 80A 0 -9,-2.8 -9,-2.5 -2,-0.4 2,-0.5 -0.751 41.8-105.8-137.6 176.6 15.0 17.0 -16.8 32 31 A A E -BC 21 79A 11 47,-2.8 47,-3.0 -2,-0.2 2,-0.5 -0.974 36.2-157.9-113.8 114.7 16.0 14.5 -14.1 33 32 A L E -BC 20 78A 12 -13,-3.1 -13,-2.5 -2,-0.5 2,-0.5 -0.830 6.1-166.2-103.5 125.8 19.6 14.9 -13.2 34 33 A K E -BC 19 77A 4 43,-3.4 43,-2.9 -2,-0.5 2,-0.7 -0.931 9.7-155.0-116.3 123.9 21.5 12.0 -11.6 35 34 A K E -BC 18 76A 89 -17,-1.9 -17,-0.6 -2,-0.5 2,-0.2 -0.863 24.0-132.1 -96.8 115.3 24.9 12.3 -9.9 36 35 A I E B 17 0A 18 39,-2.7 39,-0.4 -2,-0.7 -19,-0.2 -0.480 360.0 360.0 -72.4 130.6 26.7 9.0 -10.0 37 36 A R 0 0 208 -21,-3.2 -1,-0.1 -2,-0.2 -20,-0.1 0.897 360.0 360.0 -93.5 360.0 28.1 7.9 -6.6 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 40 A E 0 0 128 0, 0.0 2,-1.0 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 107.9 35.8 5.0 -4.0 40 41 A T + 0 0 124 1,-0.2 3,-0.1 3,-0.0 34,-0.0 -0.736 360.0 120.1 -93.5 98.7 36.4 8.3 -5.8 41 42 A E S S- 0 0 181 -2,-1.0 -1,-0.2 1,-0.1 2,-0.2 0.565 84.6 -60.1-122.2 -29.9 39.5 8.1 -8.1 42 43 A G - 0 0 31 -3,-0.4 -1,-0.1 31,-0.0 32,-0.1 -0.431 67.8 -66.2 144.8 136.9 37.9 8.9 -11.4 43 44 A V - 0 0 28 30,-0.2 31,-0.1 -2,-0.2 30,-0.0 -0.191 59.8-115.3 -47.8 122.2 35.1 7.3 -13.5 44 45 A P >> - 0 0 81 0, 0.0 4,-1.7 0, 0.0 3,-0.5 -0.308 17.7-121.9 -60.3 144.1 36.3 3.8 -14.7 45 46 A S H 3> S+ 0 0 75 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.813 111.6 52.1 -58.2 -36.1 36.7 3.4 -18.5 46 47 A T H 3> S+ 0 0 89 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.800 105.0 55.1 -75.2 -28.9 34.2 0.6 -18.7 47 48 A A H <> S+ 0 0 3 -3,-0.5 4,-2.3 2,-0.2 5,-0.2 0.914 110.5 47.7 -64.2 -42.3 31.6 2.6 -16.9 48 49 A I H X S+ 0 0 36 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.885 113.6 45.2 -66.5 -42.7 32.0 5.3 -19.6 49 50 A R H X S+ 0 0 151 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.928 114.4 48.7 -69.3 -42.3 31.9 2.9 -22.5 50 51 A E H X S+ 0 0 53 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.928 112.5 46.7 -61.8 -48.5 28.8 1.0 -21.2 51 52 A I H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.878 110.1 53.9 -64.4 -36.0 26.8 4.2 -20.4 52 53 A S H X S+ 0 0 61 -4,-1.7 4,-0.6 1,-0.2 -1,-0.2 0.846 106.4 53.2 -66.6 -32.1 27.7 5.6 -23.8 53 54 A L H >< S+ 0 0 104 -4,-1.7 3,-1.1 1,-0.2 4,-0.4 0.904 105.8 55.1 -61.8 -41.5 26.3 2.3 -25.2 54 55 A L H >< S+ 0 0 16 -4,-1.8 3,-1.2 1,-0.3 11,-0.2 0.799 93.5 67.2 -67.2 -31.5 23.1 3.0 -23.3 55 56 A K H 3< S+ 0 0 73 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.814 101.4 50.0 -58.1 -30.1 22.6 6.5 -24.8 56 57 A E T << S+ 0 0 140 -3,-1.1 2,-1.6 -4,-0.6 -1,-0.3 0.605 85.5 92.3 -88.6 -7.8 22.0 4.7 -28.1 57 58 A L < + 0 0 17 -3,-1.2 2,-0.4 -4,-0.4 -1,-0.1 -0.597 61.6 170.3 -87.6 82.7 19.4 2.3 -26.7 58 59 A N + 0 0 67 -2,-1.6 5,-0.1 6,-0.1 6,-0.1 -0.803 9.0 149.6-106.2 135.0 16.3 4.3 -27.4 59 60 A H > - 0 0 40 3,-0.5 3,-2.2 -2,-0.4 54,-0.0 -0.977 52.1-116.7-160.1 145.9 12.7 3.3 -27.1 60 61 A P T 3 S+ 0 0 89 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.762 118.1 47.4 -58.2 -27.9 9.3 4.9 -26.2 61 62 A N T 3 S+ 0 0 8 48,-0.1 81,-2.7 80,-0.1 2,-0.5 0.219 99.4 80.1-100.2 13.7 9.0 2.7 -23.1 62 63 A I B < S-e 142 0B 13 -3,-2.2 -3,-0.5 79,-0.3 81,-0.2 -0.987 91.8-111.9-119.7 124.4 12.6 3.4 -22.0 63 64 A V - 0 0 12 79,-2.1 2,-0.2 -2,-0.5 82,-0.1 -0.355 43.7-111.0 -54.4 125.6 13.3 6.6 -20.1 64 65 A K - 0 0 91 -4,-0.1 16,-2.4 1,-0.1 2,-0.8 -0.395 16.8-143.9 -69.5 132.0 15.5 8.6 -22.5 65 66 A L E -D 79 0A 9 -11,-0.2 14,-0.2 14,-0.2 3,-0.1 -0.863 23.3-179.8 -91.9 107.8 19.1 9.2 -21.5 66 67 A L E + 0 0 34 12,-2.2 2,-0.3 -2,-0.8 13,-0.2 0.891 56.9 2.0 -83.0 -42.4 19.6 12.7 -22.8 67 68 A D E -D 78 0A 72 11,-1.7 11,-2.6 2,-0.0 2,-0.6 -0.998 49.8-149.5-150.9 140.9 23.2 13.4 -21.9 68 69 A V E -D 77 0A 37 -2,-0.3 2,-0.7 9,-0.2 9,-0.2 -0.972 20.5-165.8-108.4 120.3 26.2 11.7 -20.3 69 70 A I E +D 76 0A 32 7,-3.0 7,-2.1 -2,-0.6 2,-1.1 -0.804 12.1 178.2-116.1 91.1 28.3 14.3 -18.6 70 71 A H E +D 75 0A 89 -2,-0.7 2,-0.3 5,-0.2 5,-0.2 -0.772 28.8 150.2 -89.8 94.4 31.8 13.1 -17.6 71 72 A T E > -D 74 0A 44 3,-1.3 3,-2.6 -2,-1.1 -2,-0.1 -0.974 55.2 -0.4-135.1 144.2 33.3 16.2 -16.1 72 73 A E T 3 S- 0 0 162 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.824 126.9 -59.7 50.1 35.4 35.8 17.1 -13.4 73 74 A N T 3 S+ 0 0 112 1,-0.3 -1,-0.3 -3,-0.1 2,-0.3 0.699 119.3 108.3 67.2 17.8 36.3 13.3 -12.8 74 75 A K E < - 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