==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 31-JUL-13 4LYN . COMPND 2 MOLECULE: CYCLIN-DEPENDENT KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.S.SACK . 287 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14405.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 61.7 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 13.6 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 . 17 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 26.8 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 3 1 0 0 1 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 3 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,-1.8 0, 0.0 69,-0.0 0.000 360.0 360.0 360.0 117.0 40.3 31.3 38.9 2 2 A E T 3 + 0 0 131 1,-0.3 22,-0.1 3,-0.1 0, 0.0 0.649 360.0 72.2 -61.4 -17.6 40.0 31.5 42.7 3 3 A N T 3 S+ 0 0 57 20,-0.1 21,-2.0 21,-0.1 22,-0.5 0.456 96.2 63.8 -76.9 -1.1 37.7 34.6 42.3 4 4 A F E < -A 23 0A 19 -3,-1.8 2,-0.5 19,-0.2 19,-0.2 -0.932 65.4-151.0-129.0 149.7 34.9 32.3 41.1 5 5 A Q E -A 22 0A 83 17,-2.0 17,-2.0 -2,-0.3 -3,-0.1 -0.978 25.3-129.1-118.4 114.1 32.9 29.4 42.4 6 6 A K E +A 21 0A 163 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.388 26.8 178.0 -61.3 133.3 31.7 26.8 39.9 7 7 A V E - 0 0 65 13,-3.1 2,-0.3 1,-0.4 14,-0.2 0.739 61.5 -23.8-104.7 -48.1 27.9 26.2 40.3 8 8 A E E -A 20 0A 111 12,-1.2 12,-3.0 3,-0.0 2,-0.5 -0.947 65.7 -95.9-165.8 151.3 27.2 23.6 37.5 9 9 A K E -A 19 0A 141 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.649 29.8-168.2 -72.9 118.3 28.6 22.4 34.1 10 10 A I E - 0 0 79 8,-2.6 2,-0.2 -2,-0.5 9,-0.2 0.765 60.8 -68.0 -75.4 -32.6 26.6 24.4 31.5 11 11 A G E -A 18 0A 31 7,-1.5 7,-3.1 -3,-0.1 2,-0.8 -0.793 39.7 -94.5 155.0 166.4 28.0 22.0 28.9 12 12 A E E +A 17 0A 154 5,-0.2 5,-0.2 -2,-0.2 -3,-0.0 -0.859 54.8 170.4-109.8 89.4 31.1 20.9 27.0 13 13 A G - 0 0 54 3,-0.8 3,-0.3 -2,-0.8 -1,-0.0 0.417 50.1 -72.0 -76.6-147.2 31.1 22.9 23.8 14 14 A T S S+ 0 0 53 1,-0.2 3,-0.1 3,-0.0 -2,-0.0 0.750 126.4 46.8 -87.0 -30.8 33.7 23.4 21.0 15 15 A Y S S- 0 0 39 1,-0.2 21,-0.3 20,-0.0 2,-0.3 -0.009 123.9 -80.6-106.1 31.4 36.1 25.6 23.0 16 16 A G S S- 0 0 17 -3,-0.3 -3,-0.8 19,-0.2 2,-0.3 -0.818 78.4 -20.3 110.9-152.9 36.3 23.5 26.2 17 17 A V E -AB 12 34A 23 17,-0.7 17,-2.4 -2,-0.3 2,-0.4 -0.780 52.3-149.8-101.8 139.3 34.0 23.2 29.2 18 18 A V E -AB 11 33A 28 -7,-3.1 -8,-2.6 -2,-0.3 -7,-1.5 -0.924 15.1-172.4-109.9 131.5 31.4 25.9 30.2 19 19 A Y E -AB 9 32A 42 13,-2.6 13,-3.4 -2,-0.4 2,-0.4 -0.968 27.7-129.3-126.0 143.3 30.4 26.5 33.8 20 20 A K E +AB 8 31A 43 -12,-3.0 -13,-3.1 -2,-0.4 -12,-1.2 -0.737 47.0 177.8 -82.0 130.2 27.7 28.6 35.5 21 21 A A E -AB 6 30A 1 9,-2.9 9,-3.0 -2,-0.4 2,-0.5 -0.971 31.6-132.2-138.1 157.8 29.8 30.4 38.1 22 22 A R E -AB 5 29A 106 -17,-2.0 -17,-2.0 -2,-0.3 2,-0.9 -0.947 22.7-130.8-112.5 128.6 29.4 33.0 40.9 23 23 A N E > -A 4 0A 18 5,-3.1 4,-2.9 -2,-0.5 -19,-0.2 -0.731 14.7-153.9 -77.2 103.4 31.9 35.9 41.1 24 24 A K T 4 S+ 0 0 116 -21,-2.0 -1,-0.2 -2,-0.9 -20,-0.1 0.702 91.0 48.8 -53.1 -25.0 33.0 35.8 44.8 25 25 A L T 4 S+ 0 0 132 -22,-0.5 -1,-0.2 1,-0.1 -21,-0.1 0.967 125.3 20.2 -78.1 -62.2 33.8 39.6 44.6 26 26 A T T 4 S- 0 0 104 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.608 93.8-126.6 -86.4 -20.7 30.7 41.2 42.8 27 27 A G < + 0 0 44 -4,-2.9 -3,-0.1 1,-0.3 2,-0.0 0.345 60.6 145.7 83.7 -3.9 28.2 38.4 43.6 28 28 A E - 0 0 111 -5,-0.2 -5,-3.1 -6,-0.1 2,-0.5 -0.300 48.9-131.9 -67.3 144.4 27.4 38.2 39.8 29 29 A V E +B 22 0A 42 -7,-0.2 53,-0.6 -3,-0.1 2,-0.3 -0.871 38.4 167.6 -97.4 129.9 26.4 34.9 38.2 30 30 A V E -BC 21 81A 2 -9,-3.0 -9,-2.9 -2,-0.5 2,-0.5 -0.828 39.4-109.0-133.3 174.1 28.4 34.4 35.0 31 31 A A E -BC 20 80A 11 49,-2.5 49,-3.2 -2,-0.3 2,-0.5 -0.946 33.0-157.4-109.0 127.5 29.3 31.8 32.4 32 32 A L E -BC 19 79A 17 -13,-3.4 -13,-2.6 -2,-0.5 2,-0.5 -0.949 5.1-164.7-112.3 123.1 32.9 30.6 32.6 33 33 A K E -BC 18 78A 6 45,-2.9 45,-2.5 -2,-0.5 2,-0.7 -0.943 8.1-154.3-111.6 120.4 34.6 29.1 29.6 34 34 A K E -BC 17 77A 73 -17,-2.4 2,-1.0 -2,-0.5 -17,-0.7 -0.832 16.0-145.4 -89.4 112.5 37.9 27.2 30.1 35 35 A I E - C 0 76A 4 41,-2.7 41,-0.6 -2,-0.7 -19,-0.2 -0.765 58.4 -42.9 -86.9 101.6 39.7 27.3 26.8 36 36 A R + 0 0 99 -2,-1.0 40,-0.3 -21,-0.3 -1,-0.2 0.836 54.0 169.5 50.6 134.2 41.6 24.0 26.4 37 37 A L S S+ 0 0 93 -3,-0.1 -2,-0.0 38,-0.1 -21,-0.0 0.584 82.6 36.6-130.9 -55.9 43.7 22.1 29.1 38 38 A D S S+ 0 0 157 1,-0.2 -2,-0.0 3,-0.0 0, 0.0 0.682 129.3 38.0 -76.6 -21.2 44.5 18.5 27.8 39 39 A T S S+ 0 0 102 2,-0.0 2,-0.5 0, 0.0 -1,-0.2 0.736 98.9 87.0 -97.0 -34.7 45.0 20.0 24.2 40 40 A E + 0 0 49 1,-0.2 -4,-0.0 3,-0.0 35,-0.0 -0.604 48.7 165.8 -72.4 116.0 46.7 23.3 25.4 41 41 A T + 0 0 136 -2,-0.5 -1,-0.2 0, 0.0 -2,-0.0 0.876 57.1 34.9 -97.7 -55.8 50.5 22.6 25.7 42 42 A E S S- 0 0 137 1,-0.0 2,-0.1 33,-0.0 -2,-0.0 0.238 104.4 -74.0 -83.4-155.4 52.2 26.0 25.9 43 43 A G S S- 0 0 20 1,-0.2 31,-0.1 32,-0.0 32,-0.1 -0.264 82.3 -74.3-107.6 47.1 51.1 29.3 27.5 44 44 A V - 0 0 10 -2,-0.1 -1,-0.2 32,-0.0 5,-0.1 0.796 59.0 -88.5 68.2 122.4 48.3 30.6 25.1 45 45 A P > - 0 0 49 0, 0.0 4,-1.7 0, 0.0 3,-0.3 -0.282 28.1-131.5 -60.3 138.9 49.4 32.0 21.6 46 46 A S H > S+ 0 0 62 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.855 108.1 52.2 -57.1 -40.3 50.0 35.8 21.6 47 47 A T H > S+ 0 0 93 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.817 106.9 53.9 -68.7 -31.1 47.8 36.4 18.5 48 48 A A H > S+ 0 0 2 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.889 107.3 51.0 -69.3 -39.4 44.9 34.5 20.2 49 49 A I H X S+ 0 0 46 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.917 111.4 47.9 -62.3 -44.8 45.2 36.9 23.3 50 50 A R H X S+ 0 0 147 -4,-1.8 4,-1.1 1,-0.2 -2,-0.2 0.857 111.9 48.7 -68.2 -34.9 45.0 40.0 21.0 51 51 A E H X S+ 0 0 52 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.875 112.6 47.4 -72.1 -39.2 42.0 38.7 19.0 52 52 A I H X S+ 0 0 0 -4,-2.0 4,-1.1 1,-0.2 3,-0.3 0.914 108.9 55.2 -65.7 -42.9 40.0 37.8 22.1 53 53 A S H < S+ 0 0 49 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.782 106.3 51.6 -59.8 -31.1 40.9 41.3 23.5 54 54 A L H >< S+ 0 0 101 -4,-1.1 3,-1.1 1,-0.2 4,-0.4 0.835 104.6 57.6 -73.2 -34.5 39.4 42.8 20.3 55 55 A L H >< S+ 0 0 19 -4,-1.3 3,-0.9 -3,-0.3 11,-0.3 0.768 92.7 67.2 -67.5 -27.2 36.2 40.8 20.9 56 56 A K T 3< S+ 0 0 72 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.714 102.1 49.0 -66.0 -19.5 35.8 42.3 24.4 57 57 A E T < S+ 0 0 131 -3,-1.1 2,-2.0 -4,-0.3 -1,-0.3 0.567 83.2 94.8 -94.9 -13.5 35.1 45.6 22.6 58 58 A L < + 0 0 13 -3,-0.9 2,-0.5 -4,-0.4 8,-0.2 -0.552 60.8 169.5 -80.6 73.9 32.5 44.1 20.1 59 59 A N + 0 0 81 -2,-2.0 5,-0.1 6,-0.1 -3,-0.0 -0.826 7.1 144.4 -98.3 123.7 29.5 45.1 22.4 60 60 A H > - 0 0 44 -2,-0.5 3,-2.1 3,-0.4 54,-0.0 -0.983 55.9-117.6-153.1 144.6 25.9 44.8 21.1 61 61 A P T 3 S+ 0 0 90 0, 0.0 4,-0.1 0, 0.0 80,-0.1 0.689 116.9 51.7 -61.8 -13.5 22.5 43.9 22.9 62 62 A N T 3 S+ 0 0 9 80,-0.1 81,-3.0 48,-0.1 2,-0.4 0.161 97.7 80.1-107.0 17.4 22.3 40.8 20.5 63 63 A I B < S-e 143 0B 9 -3,-2.1 -3,-0.4 79,-0.3 2,-0.2 -0.994 90.1-113.7-123.9 127.2 25.8 39.6 21.4 64 64 A V - 0 0 9 79,-3.0 2,-0.3 -2,-0.4 82,-0.1 -0.416 45.5-115.6 -57.6 117.1 26.5 37.6 24.6 65 65 A K - 0 0 103 -2,-0.2 16,-2.5 -4,-0.1 2,-1.0 -0.466 13.7-142.6 -67.1 125.0 28.7 40.1 26.4 66 66 A L E -D 80 0A 10 -11,-0.3 14,-0.3 -2,-0.3 3,-0.1 -0.795 23.5-178.7 -81.7 100.5 32.4 38.9 27.1 67 67 A L E - 0 0 45 12,-2.0 2,-0.3 -2,-1.0 13,-0.2 0.915 59.3 -3.4 -71.9 -44.5 32.7 40.5 30.6 68 68 A D E -D 79 0A 73 11,-1.7 11,-3.3 -3,-0.1 2,-0.5 -0.995 49.7-148.0-152.4 155.0 36.4 39.5 31.1 69 69 A V E -D 78 0A 39 -2,-0.3 2,-0.7 9,-0.2 9,-0.2 -0.988 19.9-163.0-126.4 111.8 39.3 37.5 29.7 70 70 A I E -D 77 0A 31 7,-2.9 7,-1.9 -2,-0.5 2,-0.9 -0.883 12.2-179.9-105.6 105.5 41.6 35.9 32.3 71 71 A H E +D 76 0A 71 -2,-0.7 2,-0.3 5,-0.2 5,-0.2 -0.848 33.1 137.8-103.5 86.9 45.0 34.8 31.2 72 72 A T E > +D 75 0A 45 3,-0.9 3,-2.2 -2,-0.9 -2,-0.1 -0.942 59.7 18.6-131.7 154.2 46.5 33.4 34.4 73 73 A E T 3 S- 0 0 144 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.801 126.8 -73.2 51.7 33.2 48.5 30.2 35.2 74 74 A N T 3 S+ 0 0 107 1,-0.2 -1,-0.3 -31,-0.1 2,-0.2 0.474 114.1 111.0 59.9 9.8 49.3 30.3 31.4 75 75 A K E < - D 0 72A 55 -3,-2.2 -3,-0.9 -32,-0.1 2,-0.4 -0.582 65.4-125.7-103.8 164.9 45.6 29.1 30.8 76 76 A L E +CD 35 71A 2 -41,-0.6 -41,-2.7 -40,-0.3 2,-0.4 -0.970 23.4 179.0-122.8 129.0 42.7 31.0 29.3 77 77 A Y E -CD 34 70A 23 -7,-1.9 -7,-2.9 -2,-0.4 2,-0.5 -0.994 13.5-154.3-125.9 132.0 39.3 31.6 30.9 78 78 A L E -CD 33 69A 0 -45,-2.5 -45,-2.9 -2,-0.4 2,-0.6 -0.947 5.8-153.7-111.0 125.4 36.5 33.6 29.3 79 79 A V E -CD 32 68A 1 -11,-3.3 -12,-2.0 -2,-0.5 -11,-1.7 -0.886 21.4-179.4-100.3 112.8 33.9 35.3 31.6 80 80 A F E -CD 31 66A 25 -49,-3.2 -49,-2.5 -2,-0.6 -14,-0.2 -0.798 36.0 -98.5-112.0 156.5 30.5 35.8 29.8 81 81 A E E -C 30 0A 45 -16,-2.5 2,-0.4 -2,-0.3 -51,-0.2 -0.433 50.0-118.4 -64.3 146.0 27.2 37.3 30.8 82 82 A F - 0 0 40 -53,-0.6 2,-0.3 -2,-0.1 -53,-0.1 -0.792 29.4-174.4 -95.8 137.3 24.9 34.4 31.7 83 83 A L - 0 0 15 -2,-0.4 53,-0.1 1,-0.1 3,-0.0 -0.955 21.8-138.9-126.0 141.2 21.6 33.5 30.0 84 84 A H S S+ 0 0 94 -2,-0.3 2,-0.3 51,-0.3 52,-0.1 0.710 75.3 26.8 -76.7 -23.7 19.3 30.8 31.3 85 85 A Q E -F 135 0B 19 50,-1.1 50,-2.5 203,-0.1 2,-0.3 -0.960 60.2-143.1-142.2 158.2 18.2 29.1 28.0 86 86 A D E > -F 134 0B 32 -2,-0.3 4,-1.8 48,-0.2 3,-0.3 -0.833 32.2-111.6-115.2 161.6 19.3 28.4 24.5 87 87 A L H > S+ 0 0 0 46,-2.5 4,-2.6 43,-0.9 44,-0.2 0.778 113.6 60.2 -61.4 -30.8 17.2 28.2 21.2 88 88 A K H > S+ 0 0 70 42,-0.7 4,-2.2 45,-0.3 -1,-0.2 0.952 109.3 41.8 -62.5 -49.0 17.7 24.4 20.9 89 89 A K H > S+ 0 0 101 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.850 115.2 51.8 -64.8 -38.1 16.0 23.7 24.3 90 90 A F H X S+ 0 0 8 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.874 110.7 47.2 -67.1 -39.2 13.3 26.3 23.5 91 91 A M H X S+ 0 0 19 -4,-2.6 4,-0.5 2,-0.2 -2,-0.2 0.884 112.7 50.0 -68.2 -38.3 12.6 24.6 20.1 92 92 A D H >< S+ 0 0 100 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.952 112.7 46.4 -64.2 -46.1 12.5 21.2 21.8 93 93 A A H 3< S+ 0 0 84 -4,-2.7 3,-0.3 1,-0.2 -1,-0.2 0.710 117.4 45.2 -63.6 -27.8 10.0 22.6 24.4 94 94 A S H 3X S+ 0 0 15 -4,-1.2 4,-3.4 1,-0.1 3,-0.4 0.354 79.1 105.6 -98.4 2.2 8.0 24.2 21.6 95 95 A A T << S+ 0 0 48 -3,-1.1 -1,-0.1 -4,-0.5 -2,-0.1 0.711 77.4 53.7 -59.2 -24.6 7.9 21.2 19.2 96 96 A L T 4 S+ 0 0 95 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.916 128.1 16.0 -76.6 -43.9 4.2 20.4 19.9 97 97 A T T 4 S- 0 0 120 -3,-0.4 -2,-0.2 1,-0.0 -1,-0.1 0.741 105.1-129.0 -97.1 -33.3 2.7 23.8 19.2 98 98 A G < - 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