==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-JUN-05 2A0C . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.KRYSTOF,I.W.MCNAE,M.D.WALKINSHAW,P.M.FISCHER,P.MULLER, . 293 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14562.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 62.8 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 . 42 14.3 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 . 18 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 25.6 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 1 0 1 1 0 1 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 . 1 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 X M > 0 0 60 0, 0.0 3,-2.1 0, 0.0 66,-0.0 0.000 360.0 360.0 360.0 135.9 -13.9 4.6 38.9 2 2 X E T 3 + 0 0 145 1,-0.3 22,-0.0 3,-0.0 0, 0.0 0.557 360.0 77.4 -58.1 -12.8 -13.3 4.7 42.7 3 3 X N T 3 S+ 0 0 53 21,-0.1 21,-3.1 20,-0.1 22,-0.4 0.636 91.0 64.8 -72.3 -12.2 -11.0 1.7 42.3 4 4 X F E < -A 23 0A 30 -3,-2.1 2,-0.5 19,-0.2 19,-0.2 -0.867 62.6-155.1-119.4 141.5 -8.2 4.1 41.0 5 5 X Q E -A 22 0A 86 17,-2.2 17,-2.2 -2,-0.3 2,-0.2 -0.973 27.2-126.4-108.5 128.1 -6.1 7.0 42.4 6 6 X K E +A 21 0A 128 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.492 26.5 179.4 -66.8 138.1 -4.7 9.4 39.9 7 7 X V E - 0 0 68 13,-3.3 2,-0.3 1,-0.4 14,-0.2 0.752 61.5 -27.7-104.9 -46.9 -1.0 9.9 40.1 8 8 X E E -A 20 0A 113 12,-1.5 12,-2.8 3,-0.0 2,-0.6 -0.960 64.2 -91.3-169.2 151.0 -0.4 12.4 37.3 9 9 X K E -A 19 0A 90 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.620 31.9-175.0 -71.5 111.9 -1.6 13.7 34.0 10 10 X I E - 0 0 75 8,-1.8 2,-0.3 -2,-0.6 9,-0.2 0.789 55.4 -77.6 -72.6 -35.6 0.3 11.6 31.3 11 11 X G E -A 18 0A 25 7,-1.8 7,-2.7 -3,-0.1 2,-0.4 -0.993 40.5 -79.0 160.6-166.4 -1.3 13.7 28.5 12 12 X E E -A 17 0A 58 -2,-0.3 5,-0.2 5,-0.3 145,-0.1 -0.858 38.8-172.8-141.1 93.9 -4.2 14.5 26.3 13 13 X G - 0 0 21 3,-1.3 143,-0.6 -2,-0.4 5,-0.0 0.123 45.5 -85.3 -69.0-166.8 -4.9 12.3 23.3 14 14 X T S S+ 0 0 19 141,-0.2 144,-0.1 1,-0.2 3,-0.1 0.893 125.6 35.9 -69.3 -38.2 -7.5 12.9 20.5 15 15 X Y S S- 0 0 31 1,-0.2 21,-0.7 140,-0.1 2,-0.3 0.707 126.9 -45.6 -95.9 -28.4 -10.4 11.3 22.5 16 16 X G E S- B 0 35A 0 19,-0.2 -3,-1.3 0, 0.0 2,-0.3 -0.946 73.0 -47.9-178.1-159.5 -9.7 12.4 26.1 17 17 X V E -AB 12 34A 10 17,-1.1 17,-2.8 -2,-0.3 2,-0.5 -0.746 39.1-144.3-104.7 145.5 -7.1 12.7 28.8 18 18 X V E -AB 11 33A 24 -7,-2.7 -8,-1.8 -2,-0.3 -7,-1.8 -0.918 17.6-172.9-110.1 129.6 -4.6 10.0 29.9 19 19 X Y E -AB 9 32A 51 13,-2.7 13,-3.3 -2,-0.5 2,-0.4 -0.953 26.8-129.6-119.8 140.7 -3.6 9.6 33.6 20 20 X K E +AB 8 31A 43 -12,-2.8 -13,-3.3 -2,-0.4 -12,-1.5 -0.780 46.2 172.2 -76.0 132.7 -1.1 7.5 35.4 21 21 X A E -AB 6 30A 0 9,-2.4 9,-3.2 -2,-0.4 2,-0.4 -0.969 31.3-132.1-146.6 156.3 -3.0 5.8 38.1 22 22 X R E -AB 5 29A 100 -17,-2.2 -17,-2.2 -2,-0.3 2,-0.3 -0.946 24.0-125.2-112.9 131.0 -2.7 3.1 40.8 23 23 X N E > -A 4 0A 27 5,-3.4 4,-1.1 -2,-0.4 -19,-0.2 -0.597 15.7-148.9 -70.6 131.6 -5.3 0.4 41.3 24 24 X K T 4 S+ 0 0 125 -21,-3.1 -1,-0.1 -2,-0.3 -20,-0.1 0.827 91.2 41.2 -77.8 -34.3 -6.4 0.5 45.0 25 25 X L T 4 S+ 0 0 134 -22,-0.4 -1,-0.1 1,-0.1 -21,-0.0 0.984 130.6 20.9 -71.5 -65.2 -7.1 -3.3 45.3 26 26 X T T 4 S- 0 0 106 2,-0.1 -2,-0.2 1,-0.0 -1,-0.1 0.682 92.6-131.7 -83.0 -23.7 -4.1 -4.9 43.4 27 27 X G < + 0 0 29 -4,-1.1 -3,-0.1 1,-0.3 2,-0.0 0.496 51.9 149.8 81.7 3.5 -1.7 -2.0 43.5 28 28 X E - 0 0 122 -6,-0.1 -5,-3.4 1,-0.1 2,-0.5 -0.386 45.4-130.6 -67.5 145.9 -0.8 -2.1 39.8 29 29 X V E +B 22 0A 24 -7,-0.2 50,-0.6 50,-0.1 2,-0.3 -0.866 38.4 168.9 -94.3 129.5 0.1 1.2 38.1 30 30 X V E -BC 21 78A 6 -9,-3.2 -9,-2.4 -2,-0.5 2,-0.5 -0.833 38.3-113.5-133.8 170.4 -1.8 1.7 34.9 31 31 X A E -BC 20 77A 10 46,-2.3 46,-3.1 -2,-0.3 2,-0.5 -0.968 31.5-157.9-108.0 130.8 -2.5 4.3 32.3 32 32 X L E -BC 19 76A 4 -13,-3.3 -13,-2.7 -2,-0.5 2,-0.6 -0.953 4.5-160.9-112.5 121.2 -6.2 5.4 32.4 33 33 X K E -BC 18 75A 1 42,-3.1 42,-2.6 -2,-0.5 2,-0.6 -0.923 8.9-158.0-101.2 122.5 -7.7 7.0 29.3 34 34 X K E -BC 17 74A 11 -17,-2.8 -17,-1.1 -2,-0.6 2,-0.4 -0.891 10.1-173.0-102.4 117.8 -10.9 9.0 30.1 35 35 X I E BC 16 73A 13 38,-3.1 38,-2.1 -2,-0.6 -19,-0.2 -0.924 360.0 360.0-110.7 136.2 -13.3 9.6 27.2 36 36 X R 0 0 98 -21,-0.7 36,-0.1 -2,-0.4 35,-0.1 -0.846 360.0 360.0-102.1 360.0 -16.5 11.8 27.3 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 41 X T 0 0 127 0, 0.0 34,-0.1 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 94.1 -21.5 12.0 26.1 39 42 X E - 0 0 192 32,-0.2 32,-0.1 3,-0.0 -3,-0.0 0.247 360.0 -65.6-134.3 1.1 -24.7 10.8 24.5 40 43 X G S S- 0 0 33 31,-0.5 31,-0.1 30,-0.1 32,-0.1 0.253 83.6 -92.2 110.6 -1.0 -25.0 7.4 26.2 41 44 X V - 0 0 19 30,-0.2 5,-0.1 4,-0.0 31,-0.1 0.905 51.1 -87.3 54.0 110.2 -21.8 6.3 24.4 42 45 X P > - 0 0 67 0, 0.0 4,-1.4 0, 0.0 3,-0.2 -0.082 28.4-139.5 -46.2 131.6 -22.6 4.6 21.1 43 46 X S H > S+ 0 0 67 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.828 102.8 62.5 -62.6 -32.1 -23.2 0.8 21.6 44 47 X T H > S+ 0 0 77 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.901 100.8 50.0 -56.4 -49.2 -21.1 0.2 18.4 45 48 X A H > S+ 0 0 1 -3,-0.2 4,-2.6 2,-0.2 5,-0.2 0.876 108.6 53.2 -60.6 -39.5 -18.0 1.8 20.0 46 49 X I H X S+ 0 0 39 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.948 110.6 46.4 -62.9 -47.8 -18.4 -0.4 23.1 47 50 X R H X S+ 0 0 150 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.923 115.2 47.2 -55.9 -45.7 -18.5 -3.6 21.0 48 51 X E H < S+ 0 0 53 -4,-2.3 4,-0.4 1,-0.2 -2,-0.2 0.890 112.9 47.1 -70.5 -40.5 -15.6 -2.5 18.9 49 52 X I H >X S+ 0 0 0 -4,-2.6 3,-1.3 1,-0.2 4,-0.9 0.892 106.7 58.7 -69.5 -38.2 -13.4 -1.5 21.8 50 53 X S H >< S+ 0 0 38 -4,-2.5 3,-0.8 1,-0.3 4,-0.3 0.889 100.9 56.5 -57.6 -37.6 -14.2 -4.8 23.6 51 54 X L G >< S+ 0 0 107 -4,-1.5 3,-0.6 1,-0.2 -1,-0.3 0.670 98.1 62.0 -69.2 -16.7 -12.7 -6.7 20.7 52 55 X L G X4 S+ 0 0 20 -3,-1.3 3,-1.5 -4,-0.4 11,-0.3 0.776 88.4 69.9 -80.2 -25.3 -9.5 -4.8 21.1 53 56 X K G << S+ 0 0 64 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.683 99.2 51.6 -55.5 -22.3 -9.1 -6.3 24.6 54 57 X E G < S+ 0 0 136 -3,-0.6 2,-1.7 -4,-0.3 -1,-0.3 0.546 83.7 93.8 -95.2 -8.9 -8.5 -9.6 22.6 55 58 X L < + 0 0 15 -3,-1.5 2,-0.5 -4,-0.2 8,-0.2 -0.609 57.7 167.6 -92.5 81.6 -5.8 -8.2 20.4 56 59 X N + 0 0 74 -2,-1.7 5,-0.1 6,-0.1 -3,-0.0 -0.857 7.0 143.3-108.6 127.9 -2.8 -9.1 22.4 57 60 X H > - 0 0 43 -2,-0.5 3,-2.0 3,-0.4 54,-0.0 -0.973 56.3-113.7-154.6 148.3 0.8 -9.0 21.2 58 61 X P T 3 S+ 0 0 89 0, 0.0 4,-0.1 0, 0.0 53,-0.0 0.679 118.2 50.2 -59.1 -20.6 4.2 -8.2 22.9 59 62 X N T 3 S+ 0 0 11 80,-0.1 81,-2.6 48,-0.1 2,-0.4 0.136 98.8 77.8-105.9 20.8 4.4 -5.1 20.6 60 63 X I B < S-e 140 0B 10 -3,-2.0 -3,-0.4 79,-0.3 2,-0.3 -0.995 90.0-111.2-127.3 132.0 0.9 -3.8 21.3 61 64 X V - 0 0 11 79,-2.7 2,-0.2 -2,-0.4 81,-0.1 -0.458 42.7-114.5 -62.4 120.7 0.1 -1.9 24.6 62 65 X K - 0 0 93 -2,-0.3 16,-2.3 -4,-0.1 2,-0.8 -0.391 16.1-144.8 -62.0 121.9 -2.2 -4.3 26.5 63 66 X L E -D 77 0A 10 -11,-0.3 14,-0.2 14,-0.2 3,-0.1 -0.843 20.0-175.4 -80.4 108.1 -5.7 -3.0 27.0 64 67 X L E - 0 0 48 12,-2.3 2,-0.3 -2,-0.8 13,-0.2 0.944 56.0 -16.8 -72.6 -51.4 -6.4 -4.4 30.6 65 68 X D E -D 76 0A 93 11,-1.4 11,-2.8 2,-0.0 2,-0.4 -0.980 49.1-137.6-156.5 161.4 -10.1 -3.4 31.0 66 69 X V E -D 75 0A 29 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.991 17.8-167.1-128.8 121.5 -12.9 -1.2 29.7 67 70 X I E -D 74 0A 33 7,-2.9 7,-2.8 -2,-0.4 2,-0.7 -0.944 5.8-169.0-115.9 116.5 -15.2 0.6 32.2 68 71 X H E +D 73 0A 80 -2,-0.5 2,-0.4 5,-0.2 5,-0.2 -0.913 25.3 164.7-102.8 109.1 -18.5 2.2 30.9 69 72 X T E > -D 72 0A 37 3,-2.6 3,-0.6 -2,-0.7 -2,-0.1 -0.985 61.1 -3.9-143.7 128.8 -19.8 4.3 33.8 70 73 X E T 3 S- 0 0 191 -2,-0.4 -1,-0.2 1,-0.2 3,-0.1 0.904 130.4 -61.8 51.8 42.6 -22.4 7.0 34.1 71 74 X N T 3 S+ 0 0 98 1,-0.2 -31,-0.5 -3,-0.2 2,-0.3 0.843 117.5 121.5 48.8 40.8 -22.4 6.5 30.4 72 75 X K E < - 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0 0 79 0, 0.0 4,-2.1 0, 0.0 3,-1.1 -0.341 25.5-119.0 -58.2 141.0 22.1 4.3 17.2 98 101 X L H 3> S+ 0 0 69 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.831 111.5 56.9 -53.9 -42.6 21.3 2.4 14.0 99 102 X P H 3> S+ 0 0 67 0, 0.0 4,-2.1 0, 0.0 188,-0.4 0.863 110.9 44.5 -57.6 -37.6 21.0 -1.0 15.8 100 103 X L H <> S+ 0 0 6 -3,-1.1 4,-2.6 2,-0.2 5,-0.2 0.868 111.8 51.4 -74.0 -38.3 18.3 0.4 18.1 101 104 X I H X S+ 0 0 6 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.948 113.2 47.3 -58.0 -49.4 16.4 2.1 15.2 102 105 X K H X S+ 0 0 12 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.915 111.8 49.2 -59.4 -45.0 16.5 -1.2 13.4 103 106 X S H X S+ 0 0 4 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.919 113.2 46.1 -62.9 -46.6 15.3 -3.1 16.4 104 107 X Y H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.888 112.5 50.8 -63.0 -41.3 12.4 -0.7 17.0 105 108 X L H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.945 111.6 47.5 -63.9 -45.8 11.4 -0.7 13.4 106 109 X F H X S+ 0 0 48 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.910 110.9 51.5 -57.8 -45.9 11.4 -4.5 13.3 107 110 X Q H X S+ 0 0 12 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.910 110.7 47.7 -62.8 -40.3 9.3 -4.8 16.5 108 111 X L H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.884 108.2 54.5 -72.3 -39.9 6.7 -2.4 15.2 109 112 X L H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.844 107.9 50.9 -54.8 -38.5 6.5 -4.2 11.9 110 113 X Q H X S+ 0 0 70 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.951 111.2 48.9 -62.2 -46.3 5.8 -7.4 14.0 111 114 X G H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.905 114.3 44.5 -54.2 -48.3 3.1 -5.5 15.8 112 115 X L H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 5,-0.3 0.905 107.9 56.5 -68.7 -43.1 1.6 -4.2 12.6 113 116 X A H X S+ 0 0 19 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.881 111.2 46.7 -55.7 -39.7 1.8 -7.6 10.8 114 117 X F H X S+ 0 0 50 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.950 114.2 43.6 -64.3 -54.7 -0.3 -9.1 13.7 115 118 X C H ><>S+ 0 0 0 -4,-2.2 5,-2.9 1,-0.2 3,-0.9 0.950 115.8 50.3 -58.3 -48.0 -2.9 -6.3 13.8 116 119 X H H ><5S+ 0 0 27 -4,-3.0 3,-1.8 1,-0.3 -1,-0.2 0.852 102.6 58.0 -62.2 -38.3 -3.2 -6.3 10.0 117 120 X S H 3<5S+ 0 0 69 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.737 109.6 47.6 -63.7 -23.4 -3.6 -10.1 9.8 118 121 X H T <<5S- 0 0 85 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.198 120.5-115.9 -93.4 15.5 -6.7 -9.5 12.1 119 122 X R T < 5S+ 0 0 190 -3,-1.8 2,-0.5 1,-0.2 -3,-0.2 0.814 70.2 140.3 51.4 34.7 -7.7 -6.7 9.7 120 123 X V < - 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