==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-MAR-13 4BGH . COMPND 2 MOLECULE: CYCLIN-DEPENDENT KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR U.LUECKING,R.JAUTELAT,M.KRUEGER,T.BRUMBY,P.LIENAU,M.SCHAEFER . 275 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14132.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 63.6 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 . 38 13.8 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 . 17 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 27.3 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+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 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 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 52 0, 0.0 3,-0.1 0, 0.0 63,-0.0 0.000 360.0 360.0 360.0 18.8 26.7 -20.1 14.0 2 2 A E + 0 0 142 1,-0.1 22,-0.1 3,-0.0 0, 0.0 0.139 360.0 81.0 -99.1 7.9 26.3 -23.8 13.3 3 3 A N S S+ 0 0 51 21,-0.1 21,-3.1 20,-0.1 22,-0.5 0.508 84.9 68.4 -90.4 0.8 24.0 -23.6 16.2 4 4 A F E -A 23 0A 22 19,-0.3 2,-0.6 -3,-0.1 19,-0.2 -0.963 63.0-152.2-134.6 128.1 21.1 -22.2 14.0 5 5 A Q E -A 22 0A 114 17,-3.2 17,-2.1 -2,-0.4 2,-0.2 -0.929 26.9-130.5 -99.0 119.5 19.0 -23.7 11.3 6 6 A K E +A 21 0A 108 -2,-0.6 15,-0.2 15,-0.2 3,-0.1 -0.447 26.4 178.6 -69.4 131.7 17.8 -21.0 8.9 7 7 A V E - 0 0 72 13,-2.7 2,-0.3 1,-0.4 14,-0.2 0.805 62.0 -29.2 -99.7 -54.0 14.1 -21.2 8.3 8 8 A E E -A 20 0A 116 12,-1.4 12,-2.6 0, 0.0 2,-0.5 -0.986 58.7-102.1-161.4 157.0 13.6 -18.3 5.9 9 9 A K E +A 19 0A 110 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.734 38.1 170.7 -80.3 129.8 14.9 -14.9 5.0 10 10 A I E + 0 0 78 8,-2.6 2,-0.3 -2,-0.5 9,-0.2 0.490 56.3 7.1-118.7 -8.8 12.6 -12.3 6.5 11 11 A G E -A 18 0A 23 7,-1.8 7,-2.3 9,-0.0 -1,-0.3 -0.994 47.3-175.3-165.8 162.7 14.5 -9.1 5.9 12 12 A E E +A 17 0A 143 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.832 12.2 156.1-166.3 135.9 17.4 -7.2 4.5 13 13 A G - 0 0 55 3,-2.2 -2,-0.0 -2,-0.2 5,-0.0 -0.237 63.6 -88.4-120.2-142.1 18.9 -3.6 4.5 14 14 A T S S+ 0 0 153 -2,-0.1 3,-0.1 3,-0.0 0, 0.0 0.632 123.0 69.7-105.8 -22.7 22.6 -2.9 3.7 15 15 A Y S S- 0 0 67 1,-0.2 2,-0.3 -3,-0.0 -1,-0.0 0.914 120.7 -71.2 -38.5 -53.0 23.5 -3.4 7.5 16 16 A G - 0 0 13 2,-0.0 -3,-2.2 17,-0.0 2,-0.4 -0.965 51.2 -69.9 174.5-169.2 22.8 -7.0 6.8 17 17 A V E -AB 12 34A 26 17,-1.7 17,-2.5 -2,-0.3 2,-0.5 -0.947 36.6-146.8-123.2 142.0 20.3 -9.8 6.1 18 18 A V E -AB 11 33A 26 -7,-2.3 -8,-2.6 -2,-0.4 -7,-1.8 -0.942 14.4-174.7-117.4 130.8 17.8 -11.2 8.7 19 19 A Y E -AB 9 32A 47 13,-2.7 13,-3.4 -2,-0.5 2,-0.4 -0.947 29.3-127.5-119.1 142.6 16.6 -14.7 8.9 20 20 A K E +AB 8 31A 47 -12,-2.6 -13,-2.7 -2,-0.4 -12,-1.4 -0.749 49.4 174.5 -75.3 137.5 14.0 -16.5 11.0 21 21 A A E -AB 6 30A 0 9,-2.7 9,-2.5 -2,-0.4 2,-0.4 -0.939 30.8-134.4-150.2 161.6 16.1 -19.3 12.5 22 22 A R E -AB 5 29A 118 -17,-2.1 -17,-3.2 -2,-0.3 2,-0.4 -0.987 24.9-122.0-125.0 128.9 15.9 -22.1 15.0 23 23 A N E > -A 4 0A 20 5,-3.1 4,-1.9 -2,-0.4 -19,-0.3 -0.597 22.0-144.2 -66.4 121.7 18.6 -23.0 17.5 24 24 A K T 4 S+ 0 0 118 -21,-3.1 -1,-0.1 -2,-0.4 -20,-0.1 0.826 94.4 33.6 -61.1 -35.5 19.5 -26.6 16.7 25 25 A L T 4 S+ 0 0 138 -22,-0.5 -1,-0.2 1,-0.1 -21,-0.1 0.898 128.3 30.7 -89.3 -44.2 20.1 -27.6 20.4 26 26 A T T 4 S- 0 0 80 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.695 92.0-132.3 -90.3 -16.2 17.5 -25.5 22.3 27 27 A G < + 0 0 24 -4,-1.9 -3,-0.1 1,-0.3 -1,-0.0 0.430 51.0 152.7 76.5 0.9 14.8 -25.3 19.7 28 28 A E - 0 0 95 -6,-0.1 -5,-3.1 1,-0.1 2,-0.5 -0.345 40.5-138.1 -67.8 144.5 14.3 -21.6 20.2 29 29 A V E +B 22 0A 57 -7,-0.2 45,-0.6 -3,-0.1 2,-0.3 -0.902 37.3 158.7-103.5 126.6 13.1 -19.6 17.2 30 30 A V E -BC 21 73A 1 -9,-2.5 -9,-2.7 -2,-0.5 2,-0.6 -0.823 45.2-106.1-139.9 167.9 14.9 -16.3 16.9 31 31 A A E -BC 20 72A 10 41,-2.3 41,-3.4 -2,-0.3 2,-0.6 -0.959 33.8-158.4-103.9 124.9 15.7 -13.7 14.3 32 32 A L E -BC 19 71A 1 -13,-3.4 -13,-2.7 -2,-0.6 2,-0.6 -0.892 3.9-163.9-108.7 117.9 19.3 -13.9 13.2 33 33 A K E -BC 18 70A 4 37,-2.9 37,-3.0 -2,-0.6 2,-0.7 -0.910 5.1-157.0-106.4 116.1 20.9 -10.8 11.7 34 34 A K E BC 17 69A 65 -17,-2.5 -17,-1.7 -2,-0.6 35,-0.2 -0.858 360.0 360.0 -90.5 112.8 24.1 -11.4 9.8 35 35 A I 0 0 88 33,-3.5 -1,-0.2 -2,-0.7 34,-0.1 0.911 360.0 360.0 -77.9 360.0 26.0 -8.1 9.7 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 45 A P >> 0 0 126 0, 0.0 4,-1.7 0, 0.0 3,-0.9 0.000 360.0 360.0 360.0 112.9 35.9 -3.3 14.3 38 46 A S H 3> + 0 0 76 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.872 360.0 59.7 -56.8 -42.1 36.4 -3.2 18.0 39 47 A T H 3> S+ 0 0 99 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.851 105.3 48.4 -51.1 -43.0 34.3 -0.0 18.5 40 48 A A H <> S+ 0 0 36 -3,-0.9 4,-3.2 2,-0.2 5,-0.3 0.911 107.4 55.4 -71.5 -42.1 31.2 -1.7 17.1 41 49 A I H X S+ 0 0 47 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.932 111.6 43.1 -54.7 -44.7 31.6 -4.8 19.3 42 50 A R H X S+ 0 0 158 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.890 114.3 51.4 -70.4 -37.9 31.7 -2.6 22.5 43 51 A E H >X S+ 0 0 83 -4,-2.0 4,-2.0 -5,-0.2 3,-0.5 0.966 111.5 45.1 -65.7 -50.2 28.8 -0.5 21.2 44 52 A I H 3X S+ 0 0 12 -4,-3.2 4,-1.9 1,-0.3 -2,-0.2 0.918 107.4 59.9 -66.7 -34.3 26.6 -3.5 20.5 45 53 A S H 3X S+ 0 0 46 -4,-2.3 4,-0.5 -5,-0.3 -1,-0.3 0.906 106.2 49.1 -51.5 -38.8 27.6 -5.0 23.8 46 54 A L H X< S+ 0 0 108 -4,-1.6 3,-1.5 -3,-0.5 4,-0.3 0.929 106.5 54.4 -70.1 -41.7 26.1 -1.9 25.4 47 55 A L H >< S+ 0 0 15 -4,-2.0 3,-1.6 1,-0.3 11,-0.2 0.808 95.6 68.4 -61.7 -31.0 22.9 -2.2 23.4 48 56 A K H 3< S+ 0 0 59 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.781 97.2 53.4 -57.5 -28.4 22.4 -5.7 24.7 49 57 A E T << S+ 0 0 138 -3,-1.5 2,-1.6 -4,-0.5 -1,-0.3 0.560 82.7 101.4 -80.9 -8.0 21.8 -4.2 28.2 50 58 A L < + 0 0 19 -3,-1.6 2,-0.4 -4,-0.3 8,-0.1 -0.562 52.9 170.7 -88.7 78.0 19.0 -2.0 26.8 51 59 A N + 0 0 88 -2,-1.6 5,-0.1 6,-0.1 6,-0.0 -0.744 8.7 139.8 -97.5 124.1 15.9 -3.9 27.9 52 60 A H > - 0 0 38 -2,-0.4 3,-1.7 3,-0.4 54,-0.0 -0.987 58.4-110.7-157.9 149.3 12.4 -2.5 27.6 53 61 A P T 3 S+ 0 0 90 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.725 115.8 47.4 -57.2 -24.1 9.0 -4.0 26.6 54 62 A N T 3 S+ 0 0 9 80,-0.1 81,-3.2 48,-0.1 2,-0.4 0.176 97.3 81.6-111.7 18.3 8.9 -2.0 23.2 55 63 A I B < S-e 135 0B 8 -3,-1.7 -3,-0.4 79,-0.3 2,-0.2 -0.985 89.2-113.3-122.4 124.1 12.4 -2.7 22.1 56 64 A V - 0 0 11 79,-2.5 2,-0.3 -2,-0.4 81,-0.1 -0.417 41.4-111.7 -54.5 126.8 13.1 -6.0 20.4 57 65 A K - 0 0 104 -2,-0.2 16,-2.1 -4,-0.1 2,-0.9 -0.458 17.9-146.4 -71.1 126.6 15.3 -8.0 22.8 58 66 A L E +D 72 0A 18 -2,-0.3 14,-0.2 -11,-0.2 3,-0.1 -0.861 22.4 177.3 -87.1 108.8 18.9 -8.6 21.6 59 67 A L E + 0 0 47 12,-2.1 2,-0.3 -2,-0.9 13,-0.2 0.885 56.4 3.4 -84.2 -40.8 19.6 -12.0 23.1 60 68 A D E -D 71 0A 91 11,-2.0 11,-3.5 2,-0.0 2,-0.4 -0.999 49.3-148.2-154.3 147.3 23.1 -12.6 21.8 61 69 A V E -D 70 0A 27 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.955 18.3-167.0-113.3 132.6 26.0 -11.3 19.8 62 70 A I E -D 69 0A 35 7,-3.3 7,-2.9 -2,-0.4 2,-0.7 -0.934 7.4-174.1-128.0 112.8 28.2 -13.7 17.9 63 71 A H E +D 68 0A 109 -2,-0.5 2,-0.4 5,-0.2 5,-0.2 -0.908 19.0 160.1-103.0 108.6 31.6 -12.6 16.5 64 72 A T E > -D 67 0A 48 3,-2.4 3,-1.2 -2,-0.7 -2,-0.1 -0.950 61.4 -34.2-137.3 114.2 33.0 -15.4 14.3 65 73 A E T 3 S- 0 0 165 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.896 120.1 -36.4 41.3 84.4 35.7 -14.9 11.7 66 74 A N T 3 S+ 0 0 168 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.192 124.1 98.8 65.9 -18.2 35.2 -11.4 10.1 67 75 A K E < - 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0 0 8 -4,-3.7 -3,-0.1 -7,-0.2 86,-0.1 0.192 32.6 -76.4 87.9 147.8 -7.9 0.9 8.0 91 99 A I - 0 0 12 84,-0.6 5,-0.1 1,-0.1 -8,-0.0 -0.680 59.3-105.8 -73.9 129.8 -6.4 0.1 11.4 92 100 A P >> - 0 0 81 0, 0.0 4,-2.3 0, 0.0 3,-1.1 -0.300 26.6-119.2 -60.9 142.7 -8.9 1.1 14.1 93 101 A L H 3> S+ 0 0 65 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.841 110.9 59.0 -47.5 -44.6 -8.0 4.4 15.9 94 102 A P H 3> S+ 0 0 68 0, 0.0 4,-1.9 0, 0.0 175,-0.3 0.871 110.0 43.4 -61.2 -28.4 -7.7 2.8 19.3 95 103 A L H <> S+ 0 0 8 -3,-1.1 4,-2.6 2,-0.2 5,-0.2 0.906 111.8 53.2 -83.2 -40.0 -5.0 0.4 18.0 96 104 A I H X S+ 0 0 7 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.946 112.1 46.8 -51.1 -50.6 -3.2 3.2 16.1 97 105 A K H X S+ 0 0 11 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.901 111.3 50.6 -65.1 -39.6 -3.1 5.1 19.4 98 106 A S H X S+ 0 0 5 -4,-1.9 4,-2.6 -5,-0.2 5,-0.2 0.940 112.6 46.1 -59.1 -51.3 -1.9 2.1 21.4 99 107 A Y H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.933 112.8 49.3 -61.0 -44.9 0.9 1.4 18.9 100 108 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.935 112.2 49.9 -60.8 -43.2 1.9 5.1 18.8 101 109 A F H X S+ 0 0 51 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.939 112.1 45.4 -59.4 -48.1 1.9 5.2 22.6 102 110 A Q H X S+ 0 0 11 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.891 112.2 52.6 -65.5 -38.1 4.1 2.1 23.1 103 111 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.913 107.4 51.5 -64.8 -42.0 6.5 3.3 20.4 104 112 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.875 107.9 52.0 -63.3 -36.5 6.8 6.6 22.2 105 113 A Q H X S+ 0 0 67 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.919 110.3 49.9 -63.2 -39.2 7.7 4.6 25.5 106 114 A G H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.908 113.5 45.1 -63.6 -45.1 10.3 2.7 23.5 107 115 A L H X S+ 0 0 0 -4,-2.5 4,-3.4 2,-0.2 5,-0.3 0.946 111.2 51.5 -64.3 -50.7 11.8 6.0 22.2 108 116 A A H X S+ 0 0 18 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.906 111.6 48.5 -53.0 -46.8 11.7 7.8 25.5 109 117 A F H X S+ 0 0 47 -4,-2.2 4,-0.9 2,-0.2 -1,-0.2 0.944 116.3 41.0 -57.5 -53.4 13.5 4.9 27.1 110 118 A C H ><>S+ 0 0 0 -4,-2.2 5,-2.2 1,-0.2 3,-1.4 0.972 116.5 51.5 -61.8 -52.8 16.3 4.7 24.3 111 119 A H H ><5S+ 0 0 23 -4,-3.4 3,-1.9 1,-0.3 -1,-0.2 0.817 102.0 57.7 -51.0 -42.0 16.5 8.5 24.2 112 120 A S H 3<5S+ 0 0 87 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.769 109.7 47.7 -62.5 -25.7 16.9 8.8 28.0 113 121 A H T <<5S- 0 0 110 -3,-1.4 -1,-0.3 -4,-0.9 -2,-0.2 0.241 120.3-113.2 -92.5 8.8 20.0 6.5 27.4 114 122 A R T < 5S+ 0 0 224 -3,-1.9 2,-0.5 1,-0.2 -3,-0.2 0.723 71.7 138.2 62.1 30.3 21.2 8.7 24.5 115 123 A V < - 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