==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/ANTIBIOTIC 02-MAY-12 4EZ7 . COMPND 2 MOLECULE: CYCLIN-DEPENDENT KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.ALAM,M.P.MARTIN,J.-Y.ZHU,E.SCHONBRUNN . 302 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15896.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 59.9 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 13.2 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 . 23 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 23.8 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 0 0 1 0 0 2 0 1 0 0 0 1 0 0 1 0 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 -3 A S 0 0 159 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 120.4 12.3 -4.6 -44.9 2 -2 A P - 0 0 103 0, 0.0 2,-0.3 0, 0.0 72,-0.1 -0.336 360.0-153.6 -68.0 133.2 13.6 -1.1 -44.2 3 -1 A E - 0 0 54 70,-0.1 2,-0.3 -2,-0.1 70,-0.0 -0.832 9.7-168.1-107.3 150.0 11.1 1.8 -43.7 4 0 A F > - 0 0 109 -2,-0.3 3,-1.6 70,-0.1 4,-0.4 -0.899 35.7-113.8-132.0 158.9 11.7 5.5 -44.4 5 1 A M G > S+ 0 0 18 -2,-0.3 3,-1.2 1,-0.3 -1,-0.1 0.770 114.6 65.8 -63.6 -25.1 9.9 8.8 -43.7 6 2 A E G 3 S+ 0 0 139 1,-0.3 -1,-0.3 3,-0.1 22,-0.1 0.697 92.7 63.3 -69.2 -19.7 9.3 9.2 -47.4 7 3 A N G < S+ 0 0 37 -3,-1.6 21,-2.3 1,-0.1 2,-0.6 0.672 94.0 77.4 -71.4 -21.5 7.1 6.1 -47.1 8 4 A F E < -A 27 0A 6 -3,-1.2 2,-0.6 -4,-0.4 19,-0.2 -0.840 64.7-155.0-107.5 120.4 4.7 7.9 -44.8 9 5 A Q E -A 26 0A 97 17,-3.4 17,-4.3 -2,-0.6 2,-0.3 -0.778 21.6-136.8 -80.8 122.1 2.1 10.5 -45.7 10 6 A K E +A 25 0A 76 -2,-0.6 15,-0.3 15,-0.3 3,-0.1 -0.630 27.3 173.0 -72.9 137.3 1.4 12.8 -42.8 11 7 A V E - 0 0 65 13,-3.2 2,-0.3 1,-0.3 14,-0.2 0.738 57.2 -30.6-109.2 -48.3 -2.4 13.5 -42.3 12 8 A E E -A 24 0A 113 12,-1.6 12,-4.4 0, 0.0 2,-0.6 -0.991 55.9 -96.0-165.9 160.8 -2.6 15.4 -39.0 13 9 A K E -A 23 0A 115 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.725 30.4-174.7 -80.4 119.0 -1.1 16.1 -35.5 14 10 A I E - 0 0 74 8,-2.1 2,-0.3 -2,-0.6 9,-0.2 0.529 58.0 -58.9 -95.3 -6.6 -3.1 14.0 -33.0 15 11 A G E -A 22 0A 28 7,-1.2 7,-3.4 2,-0.0 2,-0.4 -0.898 47.9 -98.2 154.7 180.0 -1.4 15.5 -30.0 16 12 A E E -A 21 0A 132 5,-0.3 5,-0.3 -2,-0.3 2,-0.1 -1.000 29.5-171.4-134.6 135.9 1.9 16.1 -28.1 17 13 A G - 0 0 26 3,-1.4 3,-0.1 -2,-0.4 -2,-0.0 -0.134 47.1 -73.4-105.4-155.6 3.4 14.1 -25.3 18 14 A T S S+ 0 0 35 1,-0.2 146,-0.2 132,-0.1 3,-0.1 0.771 126.6 32.1 -75.7 -26.9 6.4 14.5 -23.0 19 15 A Y S S- 0 0 35 1,-0.1 21,-0.4 144,-0.1 2,-0.3 0.381 127.3 -35.4-119.6 2.7 9.1 13.7 -25.5 20 16 A G S S- 0 0 14 19,-0.1 -3,-1.4 -3,-0.1 2,-0.3 -0.964 72.0 -65.7 175.0-158.3 7.7 15.0 -28.8 21 17 A V E -A 16 0A 39 17,-0.3 17,-1.8 -2,-0.3 2,-0.5 -0.900 39.3-134.4-117.3 152.6 4.5 15.4 -30.9 22 18 A V E -AB 15 37A 35 -7,-3.4 -8,-2.1 -2,-0.3 -7,-1.2 -0.934 19.3-161.8-113.6 131.0 2.5 12.6 -32.3 23 19 A Y E -AB 13 36A 86 13,-2.8 13,-2.6 -2,-0.5 2,-0.6 -0.857 20.8-129.8-112.8 140.3 1.2 12.6 -35.9 24 20 A K E -AB 12 35A 42 -12,-4.4 -13,-3.2 -2,-0.4 -12,-1.6 -0.806 42.4-177.9 -80.8 122.3 -1.5 10.6 -37.7 25 21 A A E -AB 10 34A 0 9,-3.1 9,-2.4 -2,-0.6 2,-0.5 -0.848 26.8-140.3-125.0 160.4 0.3 9.2 -40.7 26 22 A R E -AB 9 33A 103 -17,-4.3 -17,-3.4 -2,-0.3 2,-0.8 -0.957 18.0-136.5-124.7 110.5 -0.7 7.2 -43.8 27 23 A N E >> -A 8 0A 6 5,-2.9 4,-3.7 -2,-0.5 3,-1.5 -0.554 15.0-159.2 -63.8 104.9 1.8 4.6 -45.0 28 24 A K T 34 S+ 0 0 126 -21,-2.3 -1,-0.2 -2,-0.8 -20,-0.1 0.695 88.8 57.5 -62.4 -20.2 1.6 5.2 -48.7 29 25 A L T 34 S+ 0 0 120 -22,-0.5 -1,-0.3 1,-0.1 -21,-0.1 0.588 125.3 16.8 -89.7 -15.6 2.9 1.7 -49.4 30 26 A T T <4 S- 0 0 80 -3,-1.5 -2,-0.2 2,-0.2 3,-0.1 0.494 90.6-128.5-127.8 -17.3 0.2 -0.0 -47.4 31 27 A G < + 0 0 48 -4,-3.7 -3,-0.2 1,-0.3 2,-0.1 0.345 63.4 144.3 75.6 -7.3 -2.6 2.6 -47.1 32 28 A E - 0 0 100 -5,-0.4 -5,-2.9 -6,-0.1 2,-0.4 -0.422 49.3-133.3 -68.0 132.8 -2.4 1.7 -43.4 33 29 A V E +B 26 0A 32 -7,-0.2 53,-0.6 -2,-0.1 2,-0.3 -0.768 34.4 170.1 -87.5 130.1 -2.9 4.5 -41.0 34 30 A V E -BC 25 85A 1 -9,-2.4 -9,-3.1 -2,-0.4 2,-0.5 -0.847 33.7-114.7-133.0 169.4 -0.4 4.7 -38.2 35 31 A A E -BC 24 84A 10 49,-2.5 49,-3.6 -2,-0.3 2,-0.5 -0.942 26.4-161.7-107.7 128.3 0.8 7.0 -35.3 36 32 A L E -BC 23 83A 4 -13,-2.6 -13,-2.8 -2,-0.5 2,-0.7 -0.940 5.8-162.3-111.7 126.2 4.3 8.4 -35.5 37 33 A K E -BC 22 82A 33 45,-2.2 45,-2.4 -2,-0.5 2,-0.3 -0.922 17.0-147.1-102.8 112.6 6.0 9.9 -32.4 38 34 A K E - C 0 81A 45 -17,-1.8 2,-0.5 -2,-0.7 -17,-0.3 -0.624 13.2-166.3 -83.0 139.2 8.9 12.1 -33.5 39 35 A I E - C 0 80A 14 41,-1.9 41,-1.3 -2,-0.3 2,-1.0 -0.904 13.2-165.6-134.1 103.3 12.0 12.1 -31.2 40 36 A R - 0 0 120 -2,-0.5 121,-1.3 -21,-0.4 2,-0.3 -0.800 22.3-168.5 -83.2 104.3 14.8 14.7 -31.5 41 37 A L B -E 160 0B 53 -2,-1.0 2,-0.8 37,-0.5 119,-0.3 -0.677 18.9-124.1 -92.9 149.8 17.5 13.1 -29.3 42 38 A D - 0 0 28 117,-2.5 2,-2.7 -2,-0.3 3,-0.4 -0.826 10.4-162.9-100.5 101.3 20.6 15.0 -28.2 43 39 A T + 0 0 77 -2,-0.8 117,-0.0 1,-0.2 -1,-0.0 -0.586 49.1 142.0 -67.0 77.7 23.9 13.4 -29.2 44 40 A E S S+ 0 0 127 -2,-2.7 -1,-0.2 1,-0.1 -3,-0.0 0.931 78.8 5.1 -97.7 -67.0 25.0 15.8 -26.5 45 41 A T S S- 0 0 114 -3,-0.4 -1,-0.1 0, 0.0 -2,-0.1 -0.292 126.7 -82.4-103.1 34.8 27.7 14.0 -24.6 46 42 A E - 0 0 132 113,-0.0 -3,-0.1 3,-0.0 2,-0.1 0.420 63.4-124.9 82.2 0.9 27.2 11.3 -27.2 47 43 A G + 0 0 19 -5,-0.2 -4,-0.1 1,-0.1 111,-0.0 -0.325 69.4 122.7 61.1-138.8 24.2 9.9 -25.4 48 44 A V + 0 0 107 1,-0.1 -1,-0.1 -2,-0.1 110,-0.0 0.924 28.9 173.9 51.1 55.2 24.3 6.2 -24.5 49 45 A P - 0 0 57 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.864 32.3-141.1 -60.3 -38.2 23.9 6.6 -20.7 50 46 A S S S+ 0 0 72 1,-0.1 -2,-0.0 0, 0.0 -3,-0.0 0.326 97.0 62.1 88.1 -5.5 23.7 2.8 -20.4 51 47 A T S > S+ 0 0 48 3,-0.1 4,-1.7 2,-0.1 5,-0.2 0.644 104.3 48.7-100.2 -43.0 21.0 3.2 -17.8 52 48 A A H > S+ 0 0 5 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.906 113.3 42.8 -62.0 -51.0 18.7 4.9 -20.4 53 49 A I H > S+ 0 0 80 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.754 109.2 60.6 -71.7 -23.7 19.1 2.4 -23.2 54 50 A R H > S+ 0 0 138 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.919 109.3 41.3 -68.5 -43.6 18.8 -0.5 -20.8 55 51 A E H X S+ 0 0 61 -4,-1.7 4,-1.6 2,-0.2 3,-0.3 0.874 111.3 55.9 -68.7 -42.0 15.3 0.6 -19.7 56 52 A I H X S+ 0 0 61 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.858 105.2 53.6 -60.1 -35.0 14.3 1.4 -23.3 57 53 A S H X S+ 0 0 47 -4,-1.6 4,-1.1 1,-0.2 -1,-0.2 0.807 105.4 52.9 -71.7 -28.9 15.2 -2.2 -24.3 58 54 A L H X S+ 0 0 20 -4,-0.9 4,-0.9 -3,-0.3 -1,-0.2 0.833 108.7 52.6 -69.0 -32.5 12.9 -3.4 -21.5 59 55 A L H >< S+ 0 0 49 -4,-1.6 3,-0.5 1,-0.2 -2,-0.2 0.911 107.6 48.0 -68.1 -46.8 10.2 -1.2 -23.1 60 56 A K H 3< S+ 0 0 119 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.775 105.8 61.4 -66.7 -27.5 10.6 -2.7 -26.6 61 57 A E H 3< S+ 0 0 127 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.832 81.7 102.2 -63.9 -37.0 10.5 -6.2 -25.1 62 58 A L << + 0 0 11 -4,-0.9 2,-0.4 -3,-0.5 60,-0.0 -0.329 43.2 172.0 -58.3 118.1 6.9 -5.6 -23.8 63 59 A N + 0 0 102 -2,-0.2 5,-0.1 6,-0.1 6,-0.1 -0.951 19.9 135.2-127.9 113.6 4.2 -7.3 -25.8 64 60 A H > - 0 0 43 -2,-0.4 3,-1.5 3,-0.3 54,-0.0 -0.984 61.5-118.2-155.2 147.0 0.8 -7.1 -24.3 65 61 A P T 3 S+ 0 0 92 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.645 114.7 51.4 -64.9 -15.1 -2.8 -6.3 -25.4 66 62 A N T 3 S+ 0 0 7 80,-0.1 81,-2.6 2,-0.1 2,-0.4 0.057 95.5 76.8-112.8 23.5 -2.9 -3.4 -23.0 67 63 A I B < S-f 147 0C 12 -3,-1.5 -3,-0.3 79,-0.3 81,-0.1 -0.999 96.0 -99.6-127.0 131.6 0.3 -1.7 -24.0 68 64 A V - 0 0 21 79,-2.2 2,-0.6 -2,-0.4 -2,-0.1 -0.183 43.0-110.0 -54.6 135.0 0.4 0.4 -27.2 69 65 A K - 0 0 83 -4,-0.1 16,-2.0 -6,-0.1 2,-0.8 -0.567 23.2-155.2 -76.2 116.0 1.9 -1.6 -30.1 70 66 A L E +D 84 0A 41 -2,-0.6 14,-0.2 14,-0.2 3,-0.1 -0.834 17.0 176.6 -87.2 110.8 5.3 -0.3 -31.3 71 67 A L E - 0 0 78 12,-2.6 2,-0.3 -2,-0.8 13,-0.2 0.904 55.9 -10.9 -82.0 -47.6 5.5 -1.5 -34.9 72 68 A D E -D 83 0A 53 11,-1.1 11,-2.8 2,-0.0 2,-0.4 -0.953 51.2-136.0-153.4 162.8 8.8 -0.0 -36.2 73 69 A V E -D 82 0A 39 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.962 19.1-158.9-132.5 114.9 11.6 2.4 -35.3 74 70 A I E -D 81 0A 6 7,-2.7 7,-2.8 -2,-0.4 2,-0.5 -0.841 2.8-158.8-104.3 115.4 13.0 4.8 -38.0 75 71 A H E +D 80 0A 142 -2,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.772 18.7 163.1 -90.5 129.5 16.4 6.4 -37.7 76 72 A T E > -D 79 0A 42 3,-1.9 3,-3.7 -2,-0.5 -2,-0.0 -0.962 59.7 -63.1-137.6 151.5 17.3 9.5 -39.6 77 73 A E T 3 S- 0 0 156 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 -0.046 123.1 -10.6 -43.1 112.5 20.2 11.8 -38.8 78 74 A N T 3 S+ 0 0 112 1,-0.2 -37,-0.5 -38,-0.0 2,-0.3 0.619 123.5 94.1 68.4 17.4 19.5 13.2 -35.3 79 75 A K E < - 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