==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-JUL-07 2QKR . COMPND 2 MOLECULE: CDC2-LIKE CDK2/CDC28 LIKE PROTEIN KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CRYPTOSPORIDIUM PARVUM IOWA II; . AUTHOR A.K.WERNIMONT,A.DONG,J.LEW,Y.H.LIN,A.HASSANALI, . 273 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14407.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 166 60.8 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 . 35 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 15 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 26.0 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 1 0 1 1 1 0 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 . 3 2 1 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 15 A Y 0 0 212 0, 0.0 2,-0.5 0, 0.0 7,-0.0 0.000 360.0 360.0 360.0 112.8 26.3 4.0 -4.0 2 16 A F - 0 0 70 7,-2.0 7,-1.8 62,-0.0 2,-0.5 -0.875 360.0-130.7-108.3 129.9 22.8 5.3 -3.5 3 17 A Q B -A 8 0A 120 -2,-0.5 60,-0.3 5,-0.2 5,-0.2 -0.677 24.8-176.9 -79.7 120.4 21.7 8.9 -4.4 4 18 A G - 0 0 12 3,-2.7 58,-0.2 -2,-0.5 56,-0.0 -0.140 42.9-102.2 -88.9-163.9 19.8 10.8 -1.7 5 19 A L S S+ 0 0 139 56,-0.5 3,-0.1 -2,-0.1 57,-0.1 0.603 119.8 31.2 -94.7 -14.6 18.4 14.2 -2.2 6 20 A M S S- 0 0 143 1,-0.4 2,-0.3 55,-0.1 54,-0.1 0.741 128.1 -13.3-110.4 -35.3 21.2 15.8 -0.2 7 21 A E - 0 0 47 -5,-0.1 -3,-2.7 18,-0.0 2,-0.4 -0.936 65.1 -95.3-160.9 170.1 24.3 13.6 -0.8 8 22 A K B A 3 0A 91 -2,-0.3 18,-0.4 -5,-0.2 -5,-0.2 -0.831 360.0 360.0 -99.2 143.6 25.6 10.2 -2.1 9 23 A Y 0 0 6 -7,-1.8 -7,-2.0 -2,-0.4 16,-0.2 -0.975 360.0 360.0-130.3 360.0 26.1 7.3 0.4 10 ! 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 11 26 A L 0 0 112 0, 0.0 12,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 63.8 29.3 0.9 4.7 12 27 A E - 0 0 108 2,-0.0 10,-3.1 1,-0.0 2,-0.5 -0.477 360.0-112.3 -87.5 164.1 29.1 -2.0 7.3 13 28 A K B +B 21 0B 76 8,-0.2 8,-0.2 -2,-0.1 -1,-0.0 -0.885 45.8 150.7-102.7 124.0 25.9 -4.0 8.1 14 29 A V + 0 0 79 6,-2.0 7,-0.2 -2,-0.5 -1,-0.1 0.057 34.5 136.8-135.6 24.9 24.5 -3.6 11.7 15 30 A G + 0 0 41 5,-0.3 2,-0.3 4,-0.0 6,-0.0 -0.085 23.8 168.3 -92.6 174.8 20.8 -4.2 11.2 16 31 A E 0 0 122 1,-0.1 -2,-0.0 -2,-0.0 4,-0.0 -0.965 360.0 360.0-165.6 170.8 17.8 -6.0 12.7 17 32 A G 0 0 126 -2,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.687 360.0 360.0 70.9 360.0 14.0 -6.4 12.8 18 ! 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 19 36 A V 0 0 83 0, 0.0 16,-2.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 95.1 17.7 -3.3 8.2 20 37 A V E - C 0 34B 31 14,-0.2 -6,-2.0 -4,-0.0 -5,-0.3 -0.834 360.0-177.6-101.8 129.5 20.2 -0.7 9.4 21 38 A Y E -BC 13 33B 73 12,-2.5 12,-1.6 -2,-0.5 2,-0.3 -0.677 26.4-121.0-108.7 169.0 23.6 -0.2 7.8 22 39 A K E - C 0 32B 56 -10,-3.1 2,-0.3 -2,-0.2 10,-0.2 -0.821 40.8-170.0-100.3 152.8 26.5 2.1 8.6 23 40 A A E - C 0 31B 3 8,-2.0 8,-1.9 -2,-0.3 2,-0.5 -0.968 23.5-130.8-149.7 163.2 27.5 4.6 5.8 24 41 A K E - C 0 30B 145 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.957 17.2-144.4-120.2 128.6 29.9 7.1 4.3 25 42 A D - 0 0 16 4,-2.6 -16,-0.1 -2,-0.5 6,-0.0 -0.276 33.7-107.0 -70.2 167.1 29.1 10.6 2.9 26 43 A S 0 0 82 -18,-0.4 -1,-0.1 -2,-0.1 -17,-0.1 0.554 360.0 360.0 -72.3 -8.7 31.0 12.0 -0.0 27 44 A Q 0 0 144 2,-0.2 -2,-0.1 0, 0.0 0, 0.0 0.013 360.0 360.0-123.4 360.0 32.7 14.3 2.4 28 ! 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 29 46 A R 0 0 173 0, 0.0 -4,-2.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 138.7 30.8 12.3 7.3 30 47 A I E +C 24 0B 100 -6,-0.2 44,-0.7 44,-0.1 2,-0.2 -0.664 360.0 165.8 -85.1 133.5 29.4 9.1 8.9 31 48 A V E -CD 23 73B 5 -8,-1.9 -8,-2.0 -2,-0.4 2,-0.4 -0.741 30.3-118.7-131.8-179.3 25.7 8.5 8.7 32 49 A A E -CD 22 72B 11 40,-2.5 40,-3.2 -2,-0.2 2,-0.6 -0.991 16.7-148.5-129.2 141.8 23.3 5.6 9.2 33 50 A L E -CD 21 71B 1 -12,-1.6 -12,-2.5 -2,-0.4 2,-0.6 -0.927 6.0-165.5-116.6 114.0 20.9 4.0 6.7 34 51 A K E -CD 20 70B 51 36,-2.8 36,-2.7 -2,-0.6 -14,-0.2 -0.869 14.8-161.5-100.0 115.9 17.6 2.5 7.7 35 52 A R E D 0 69B 70 -16,-2.6 34,-0.2 -2,-0.6 -2,-0.0 -0.624 360.0 360.0 -97.4 155.4 16.1 0.3 4.9 36 53 A I 0 0 106 32,-1.0 32,-0.4 -2,-0.2 -2,-0.0 -0.975 360.0 360.0-128.3 360.0 12.5 -0.9 4.5 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 64 A S > 0 0 120 0, 0.0 4,-1.8 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -82.2 4.0 3.1 5.1 39 65 A T H > + 0 0 78 1,-0.2 4,-1.5 2,-0.2 98,-0.1 0.564 360.0 63.5 -71.9 -6.3 5.4 3.6 8.6 40 66 A A H > S+ 0 0 2 2,-0.2 4,-1.5 3,-0.1 -1,-0.2 0.875 101.8 44.2 -83.2 -44.2 8.4 5.0 6.8 41 67 A I H > S+ 0 0 100 -3,-0.2 4,-2.2 2,-0.2 3,-0.2 0.918 113.6 53.4 -64.8 -42.9 6.7 8.0 5.2 42 68 A R H X S+ 0 0 44 -4,-1.8 4,-2.7 1,-0.2 5,-0.3 0.973 106.3 53.2 -48.6 -57.0 5.0 8.6 8.6 43 69 A E H X S+ 0 0 4 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.782 108.4 49.6 -54.5 -33.2 8.5 8.6 10.2 44 70 A I H X S+ 0 0 34 -4,-1.5 4,-2.4 -3,-0.2 -1,-0.2 0.951 112.2 45.6 -70.5 -48.7 9.7 11.3 7.8 45 71 A S H X S+ 0 0 73 -4,-2.2 4,-0.9 1,-0.2 -2,-0.2 0.927 117.9 44.3 -62.5 -45.8 6.8 13.7 8.3 46 72 A L H >X S+ 0 0 12 -4,-2.7 3,-0.7 -5,-0.2 4,-0.5 0.930 113.7 49.5 -61.9 -47.9 7.0 13.2 12.0 47 73 A L H >< S+ 0 0 4 -4,-2.1 3,-0.7 -5,-0.3 11,-0.2 0.813 104.8 57.3 -67.1 -31.6 10.8 13.5 12.2 48 74 A K H 3< S+ 0 0 70 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.803 106.1 52.6 -63.4 -28.6 10.8 16.7 10.1 49 75 A E H << S+ 0 0 101 -4,-0.9 2,-0.7 -3,-0.7 -1,-0.2 0.651 102.6 68.1 -78.7 -14.5 8.5 18.1 12.8 50 76 A L << + 0 0 1 -3,-0.7 2,-0.7 -4,-0.5 -1,-0.2 -0.745 53.3 162.5-118.5 86.7 11.0 17.1 15.5 51 77 A H + 0 0 133 -2,-0.7 5,-0.1 -3,-0.1 -3,-0.1 -0.872 26.9 130.3-104.8 106.5 14.3 19.0 15.6 52 78 A H > - 0 0 40 -2,-0.7 3,-2.1 3,-0.5 -2,-0.0 -0.987 66.0-119.9-159.5 140.0 15.9 18.5 19.0 53 79 A P T 3 S+ 0 0 89 0, 0.0 4,-0.1 0, 0.0 52,-0.1 0.689 116.7 50.7 -55.2 -21.1 19.4 17.5 20.4 54 80 A N T 3 S+ 0 0 2 79,-0.1 80,-3.0 50,-0.1 2,-0.5 0.193 97.5 75.7-107.6 11.7 17.6 14.5 22.0 55 81 A I B < S-f 134 0C 1 -3,-2.1 -3,-0.5 78,-0.3 80,-0.2 -0.994 91.9-114.4-122.0 121.2 15.8 13.3 19.0 56 82 A V - 0 0 4 78,-2.0 2,-0.3 -2,-0.5 -2,-0.1 -0.317 40.7-127.4 -51.6 124.5 17.9 11.4 16.4 57 83 A S - 0 0 39 -4,-0.1 16,-1.9 -6,-0.0 2,-0.5 -0.597 7.3-138.4 -91.1 140.8 17.9 13.7 13.4 58 84 A L E +E 72 0B 32 -2,-0.3 14,-0.2 -11,-0.2 3,-0.1 -0.846 23.5 174.7 -92.9 124.1 16.9 12.6 9.8 59 85 A I E - 0 0 68 12,-2.2 2,-0.3 -2,-0.5 13,-0.2 0.732 57.2 -5.1-105.8 -25.4 19.2 14.2 7.3 60 86 A D E -E 71 0B 10 11,-1.3 11,-2.5 -54,-0.1 2,-0.3 -0.959 53.0-138.6-159.7 170.3 18.2 12.7 4.0 61 87 A V E -E 70 0B 14 -2,-0.3 -56,-0.5 9,-0.2 2,-0.5 -0.998 6.5-158.2-141.9 141.3 16.0 10.1 2.2 62 88 A I E -E 69 0B 9 7,-2.7 7,-2.8 -2,-0.3 2,-0.6 -0.982 9.4-161.0-122.3 121.7 16.6 7.8 -0.7 63 89 A H E +E 68 0B 120 -2,-0.5 2,-0.3 -60,-0.3 5,-0.2 -0.901 21.1 156.2-105.5 123.4 13.7 6.5 -2.8 64 90 A S 0 0 90 3,-1.1 -2,-0.0 -2,-0.6 -62,-0.0 -0.953 360.0 360.0-136.8 160.3 14.2 3.4 -4.9 65 91 A E 0 0 223 -2,-0.3 -1,-0.2 3,-0.0 3,-0.0 0.843 360.0 360.0 -80.2 360.0 11.8 0.8 -6.3 66 ! 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 67 93 A C 0 0 44 0, 0.0 -3,-1.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 125.5 12.9 0.2 -1.2 68 94 A L E - 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