==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-DEC-98 1B38 . COMPND 2 MOLECULE: PROTEIN (CELL DIVISION PROTEIN KINASE 2); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.R.BROWN,M.E.M.NOBLE,A.M.LAWRIE,M.C.MORRIS,P.TUNNAH, . 290 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14430.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 63.4 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 13.8 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 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 26.9 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 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 . 1 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 46 0, 0.0 3,-2.5 0, 0.0 62,-0.0 0.000 360.0 360.0 360.0 -27.8 -12.7 30.7 -3.4 2 2 A E T 3 + 0 0 149 1,-0.3 0, 0.0 3,-0.1 0, 0.0 0.659 360.0 63.7 -57.9 -18.3 -12.7 31.1 -7.3 3 3 A N T 3 S+ 0 0 72 20,-0.0 21,-3.9 1,-0.0 2,-0.4 0.525 97.9 69.0 -83.0 -8.1 -10.3 34.0 -6.8 4 4 A F E < -A 23 0A 23 -3,-2.5 2,-0.6 19,-0.3 19,-0.2 -0.910 65.1-152.1-117.2 138.1 -7.7 31.7 -5.2 5 5 A Q E -A 22 0A 119 17,-2.6 17,-2.0 -2,-0.4 2,-0.5 -0.910 23.9-130.5-108.1 116.7 -5.5 29.0 -6.7 6 6 A K E +A 21 0A 116 -2,-0.6 15,-0.3 15,-0.2 3,-0.1 -0.523 27.2 178.7 -63.2 112.2 -4.5 26.3 -4.2 7 7 A V E - 0 0 70 13,-2.6 2,-0.3 -2,-0.5 14,-0.2 0.808 61.3 -30.8 -81.1 -44.5 -0.7 25.9 -4.7 8 8 A E E -A 20 0A 103 12,-1.6 12,-3.0 0, 0.0 2,-0.5 -0.951 60.0 -95.9-169.3 161.1 -0.2 23.2 -2.0 9 9 A K E -A 19 0A 107 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.738 31.3-176.6 -86.6 117.0 -1.5 21.8 1.3 10 10 A I E - 0 0 60 8,-3.1 2,-0.3 -2,-0.5 9,-0.2 0.846 55.4 -67.6 -85.6 -45.4 0.7 23.2 4.1 11 11 A G E -A 18 0A 28 7,-1.6 7,-3.3 2,-0.0 -1,-0.4 -0.964 41.7-109.1 177.7-169.1 -0.9 21.3 7.0 12 12 A E E +A 17 0A 76 -2,-0.3 5,-0.2 5,-0.3 2,-0.2 -0.964 35.0 164.1-146.1 150.5 -4.1 20.8 9.0 13 13 A G - 0 0 22 3,-2.5 139,-1.1 -2,-0.3 140,-0.7 -0.441 51.0 -39.3-140.4-142.0 -4.9 21.7 12.5 14 14 A T S S+ 0 0 19 137,-0.2 138,-0.9 1,-0.2 140,-0.2 0.942 130.6 21.4 -61.0 -53.0 -7.4 22.2 15.2 15 15 A Y S S- 0 0 39 1,-0.2 2,-0.3 136,-0.1 -1,-0.2 0.637 124.3 -49.9 -99.0 -17.7 -10.0 23.9 13.1 16 16 A G - 0 0 2 19,-0.3 -3,-2.5 2,-0.0 2,-0.3 -0.986 68.0 -48.5 169.7-169.5 -9.3 23.0 9.5 17 17 A V E -AB 12 34A 9 17,-0.9 17,-2.3 -2,-0.3 2,-0.5 -0.695 40.6-145.3 -95.4 149.3 -6.8 22.6 6.6 18 18 A V E -AB 11 33A 30 -7,-3.3 -8,-3.1 -2,-0.3 -7,-1.6 -0.949 15.8-171.5-118.9 129.6 -4.3 25.3 5.5 19 19 A Y E -AB 9 32A 55 13,-3.0 13,-3.4 -2,-0.5 2,-0.4 -0.928 27.3-129.0-116.9 146.2 -3.3 25.8 2.0 20 20 A K E +AB 8 31A 44 -12,-3.0 -13,-2.6 -2,-0.4 -12,-1.6 -0.731 47.6 172.5 -77.8 129.6 -0.7 27.9 0.3 21 21 A A E -AB 6 30A 0 9,-2.8 9,-2.9 -2,-0.4 2,-0.4 -0.948 30.9-130.4-142.0 163.3 -2.7 29.7 -2.4 22 22 A R E -AB 5 29A 120 -17,-2.0 -17,-2.6 -2,-0.3 2,-0.9 -0.950 24.6-122.1-117.8 129.7 -2.4 32.5 -5.0 23 23 A N E > -A 4 0A 21 5,-3.6 4,-1.7 -2,-0.4 -19,-0.3 -0.585 20.2-147.9 -67.9 109.8 -4.8 35.3 -5.3 24 24 A K T 4 S+ 0 0 110 -21,-3.9 -1,-0.1 -2,-0.9 -20,-0.1 0.262 92.0 23.4 -62.3 9.3 -6.0 35.0 -9.0 25 25 A L T 4 S+ 0 0 143 -22,-0.2 -1,-0.2 3,-0.1 -2,-0.1 0.417 125.8 43.0-144.0 -43.3 -6.4 38.8 -9.3 26 26 A T T 4 S- 0 0 96 -23,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.701 94.8-136.5 -78.2 -21.0 -4.3 40.6 -6.7 27 27 A G < + 0 0 41 -4,-1.7 -3,-0.1 1,-0.2 -1,-0.1 0.197 53.0 148.0 81.1 -17.1 -1.4 38.1 -7.6 28 28 A E - 0 0 80 -6,-0.2 -5,-3.6 1,-0.1 2,-0.5 0.024 47.5-135.2 -52.2 137.0 -0.7 37.8 -3.8 29 29 A V E +B 22 0A 50 -7,-0.2 46,-0.5 -3,-0.1 2,-0.3 -0.867 40.1 166.2 -97.5 124.0 0.6 34.5 -2.3 30 30 A V E -BC 21 74A 0 -9,-2.9 -9,-2.8 -2,-0.5 2,-0.5 -0.896 41.7-112.6-135.4 172.1 -1.4 33.8 0.8 31 31 A A E -BC 20 73A 11 42,-2.9 42,-2.9 -2,-0.3 2,-0.5 -0.945 32.6-158.9-113.9 124.7 -2.2 31.1 3.4 32 32 A L E -BC 19 72A 3 -13,-3.4 -13,-3.0 -2,-0.5 2,-0.6 -0.928 4.2-164.4-109.3 114.7 -5.9 30.0 3.1 33 33 A K E -BC 18 71A 15 38,-3.5 38,-2.7 -2,-0.5 2,-0.6 -0.925 4.6-159.0-105.5 121.5 -7.5 28.3 6.1 34 34 A K E BC 17 70A 89 -17,-2.3 -17,-0.9 -2,-0.6 36,-0.2 -0.858 360.0 360.0 -92.5 119.1 -10.7 26.4 5.5 35 35 A I 0 0 51 34,-2.6 34,-0.6 -2,-0.6 -19,-0.3 -0.757 360.0 360.0 -89.3 360.0 -12.5 26.1 8.9 36 ! 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 37 44 A V 0 0 47 0, 0.0 5,-0.1 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 134.6 -21.1 29.6 10.5 38 45 A P > - 0 0 90 0, 0.0 4,-1.8 0, 0.0 3,-0.2 -0.150 360.0-126.2 -56.9 139.2 -22.2 30.6 13.9 39 46 A S H > S+ 0 0 64 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.856 104.8 54.3 -48.6 -54.0 -22.9 34.3 14.4 40 47 A T H > S+ 0 0 98 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.910 108.1 51.2 -61.2 -35.3 -20.7 35.0 17.3 41 48 A A H > S+ 0 0 2 -3,-0.2 4,-3.4 2,-0.2 5,-0.3 0.908 107.3 52.0 -68.3 -41.2 -17.7 33.5 15.5 42 49 A I H X S+ 0 0 40 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.912 113.7 44.9 -60.2 -42.5 -18.2 35.7 12.4 43 50 A R H X S+ 0 0 152 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.961 115.3 46.7 -65.7 -45.6 -18.3 38.8 14.6 44 51 A E H X S+ 0 0 42 -4,-2.5 4,-1.0 2,-0.2 -2,-0.2 0.885 112.3 49.2 -64.6 -43.4 -15.4 37.7 16.6 45 52 A I H >X S+ 0 0 0 -4,-3.4 3,-1.1 1,-0.2 4,-0.8 0.963 106.8 58.5 -66.2 -36.6 -13.3 36.8 13.6 46 53 A S H >< S+ 0 0 38 -4,-2.6 3,-0.9 1,-0.3 4,-0.3 0.846 100.5 54.2 -64.2 -33.7 -14.2 40.2 12.0 47 54 A L H >X S+ 0 0 106 -4,-1.7 3,-1.7 1,-0.2 4,-0.7 0.862 97.6 66.7 -69.5 -22.4 -12.7 42.2 14.9 48 55 A L H X< S+ 0 0 21 -3,-1.1 3,-1.0 -4,-1.0 11,-0.3 0.843 86.3 71.2 -66.4 -28.0 -9.4 40.3 14.5 49 56 A K T << S+ 0 0 76 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.668 99.1 45.9 -57.3 -28.5 -9.0 42.0 11.1 50 57 A E T <4 S+ 0 0 163 -3,-1.7 2,-2.0 -4,-0.3 -1,-0.3 0.505 87.1 92.1 -93.3 -9.1 -8.3 45.3 12.9 51 58 A L << + 0 0 16 -3,-1.0 2,-0.4 -4,-0.7 8,-0.2 -0.489 61.2 165.2 -84.7 79.9 -5.8 43.9 15.4 52 59 A N + 0 0 70 -2,-2.0 5,-0.1 6,-0.1 6,-0.1 -0.794 8.0 148.1-102.2 137.5 -2.7 44.5 13.3 53 60 A H > - 0 0 44 3,-0.4 3,-1.8 -2,-0.4 54,-0.1 -0.981 54.0-115.4-163.0 147.2 0.8 44.4 14.5 54 61 A P T 3 S+ 0 0 94 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.702 117.5 51.2 -66.3 -16.3 4.1 43.5 12.8 55 62 A N T 3 S+ 0 0 13 80,-0.1 81,-2.5 2,-0.1 2,-0.4 0.167 98.2 79.9-105.5 20.5 4.5 40.5 15.2 56 63 A I B < S-e 136 0B 11 -3,-1.8 -3,-0.4 79,-0.3 81,-0.2 -0.999 91.5-114.0-121.2 127.3 0.9 39.3 14.5 57 64 A V - 0 0 8 79,-2.2 2,-0.3 -2,-0.4 82,-0.1 -0.363 44.4-110.5 -59.0 124.9 0.3 37.2 11.2 58 65 A K - 0 0 88 -4,-0.1 16,-2.7 1,-0.1 2,-0.9 -0.541 17.3-145.4 -69.3 130.0 -2.0 39.5 9.2 59 66 A L E -D 73 0A 11 -2,-0.3 14,-0.2 -11,-0.3 3,-0.1 -0.781 22.3-179.2 -83.5 99.6 -5.5 38.4 8.7 60 67 A L E - 0 0 35 12,-2.0 2,-0.3 -2,-0.9 13,-0.2 0.953 56.1 -13.8 -72.4 -45.2 -6.1 39.7 5.2 61 68 A D E -D 72 0A 91 11,-1.6 11,-3.0 2,-0.0 2,-0.5 -0.989 50.0-135.4-159.2 161.0 -9.8 38.7 4.6 62 69 A V E -D 71 0A 27 -2,-0.3 2,-0.7 9,-0.2 9,-0.2 -0.973 18.2-164.5-123.5 118.3 -12.6 36.6 5.9 63 70 A I E -D 70 0A 39 7,-3.3 7,-3.5 -2,-0.5 2,-0.6 -0.914 6.4-177.4-113.9 114.4 -14.7 34.6 3.4 64 71 A H E +D 69 0A 84 -2,-0.7 2,-0.3 5,-0.2 5,-0.2 -0.926 20.9 152.7-109.1 109.6 -18.0 33.3 4.5 65 72 A T E > -D 68 0A 56 3,-2.7 3,-4.3 -2,-0.6 -2,-0.0 -0.972 59.0 -14.5-139.4 149.2 -19.7 31.2 1.8 66 73 A E T 3 S- 0 0 156 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.748 126.1 -48.2 29.4 53.3 -22.2 28.4 1.7 67 74 A N T 3 S+ 0 0 144 1,-0.2 2,-0.3 -30,-0.1 -1,-0.3 0.526 120.3 104.8 76.6 2.0 -21.9 27.4 5.4 68 75 A K E < - 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0 0 13 -4,-4.3 -3,-0.1 -7,-0.2 99,-0.1 0.113 39.2 -72.1 80.2 148.4 20.4 24.7 18.7 92 99 A I - 0 0 11 97,-0.5 5,-0.1 1,-0.1 100,-0.0 -0.720 63.1-105.8 -69.4 128.8 19.1 28.2 17.8 93 100 A P >> - 0 0 78 0, 0.0 4,-2.1 0, 0.0 3,-0.9 -0.278 27.8-115.1 -60.5 148.1 21.9 30.6 18.9 94 101 A L H 3> S+ 0 0 59 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.809 112.4 58.1 -52.3 -46.5 20.9 32.5 22.0 95 102 A P H 3> S+ 0 0 68 0, 0.0 4,-1.8 0, 0.0 188,-0.4 0.883 110.2 44.5 -57.7 -35.3 20.8 36.0 20.3 96 103 A L H <> S+ 0 0 7 -3,-0.9 4,-2.6 2,-0.2 -2,-0.2 0.887 112.3 52.4 -73.5 -35.1 18.2 34.7 17.9 97 104 A I H X S+ 0 0 6 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.950 112.2 46.4 -61.1 -48.0 16.3 33.0 20.8 98 105 A K H X S+ 0 0 13 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.889 111.3 49.9 -62.1 -46.2 16.3 36.4 22.6 99 106 A S H X S+ 0 0 3 -4,-1.8 4,-2.4 -5,-0.2 5,-0.3 0.946 113.0 48.2 -61.1 -39.2 15.2 38.4 19.5 100 107 A Y H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.963 112.1 47.5 -68.0 -43.9 12.3 36.0 18.9 101 108 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.899 112.2 51.2 -64.1 -39.2 11.2 36.0 22.5 102 109 A F H X S+ 0 0 54 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.914 111.9 45.9 -62.6 -44.5 11.4 39.8 22.5 103 110 A Q H X S+ 0 0 8 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.872 111.6 50.8 -68.9 -42.0 9.3 40.2 19.3 104 111 A L H X S+ 0 0 0 -4,-2.7 4,-3.0 -5,-0.3 -2,-0.2 0.925 109.2 52.7 -64.2 -40.8 6.7 37.7 20.5 105 112 A L H X S+ 0 0 0 -4,-2.4 4,-3.0 -5,-0.2 -2,-0.2 0.906 107.9 50.5 -61.1 -39.2 6.5 39.6 23.8 106 113 A Q H X S+ 0 0 68 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.931 111.0 49.3 -63.3 -42.9 5.9 42.8 21.8 107 114 A G H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 3,-0.3 0.964 113.4 47.0 -57.0 -49.7 3.1 41.0 19.9 108 115 A L H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 5,-0.3 0.917 108.6 53.0 -61.3 -43.3 1.6 39.8 23.2 109 116 A A H X S+ 0 0 4 -4,-3.0 4,-2.1 -5,-0.2 -1,-0.2 0.868 109.5 51.2 -62.3 -33.3 1.7 43.2 24.9 110 117 A F H X S+ 0 0 48 -4,-1.7 4,-0.8 -3,-0.3 -2,-0.2 0.967 115.9 38.2 -67.9 -50.3 -0.2 44.7 21.8 111 118 A C H <>S+ 0 0 0 -4,-2.0 5,-3.0 1,-0.2 3,-0.4 0.844 117.5 51.6 -65.3 -44.3 -3.0 42.1 21.9 112 119 A H H ><5S+ 0 0 15 -4,-2.8 3,-2.0 -5,-0.3 -1,-0.2 0.873 103.0 57.4 -63.1 -36.3 -3.1 42.0 25.6 113 120 A S H 3<5S+ 0 0 62 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.763 109.3 47.0 -70.3 -19.2 -3.4 45.8 25.8 114 121 A H T 3<5S- 0 0 104 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 -0.072 122.3-112.1 -98.8 16.0 -6.6 45.4 23.6 115 122 A R T < 5S+ 0 0 190 -3,-2.0 2,-0.5 1,-0.2 -3,-0.3 0.793 73.1 136.2 58.6 34.8 -7.8 42.6 26.0 116 123 A V < - 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