==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-JUL-08 3DXN . COMPND 2 MOLECULE: CALMODULIN-LIKE DOMAIN PROTEIN KINASE ISOFORM 3; . SOURCE 2 ORGANISM_SCIENTIFIC: TOXOPLASMA GONDII; . AUTHOR A.K.WERNIMONT,J.LEW,I.KOZIERADZKI,D.COSSAR,G.WASNEY,Y.H.LIN, . 258 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12670.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 14.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 19 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 31.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 1 1 0 1 1 0 2 1 0 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 0 1 0 1 1 2 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 19 A L > 0 0 76 0, 0.0 4,-0.5 0, 0.0 70,-0.0 0.000 360.0 360.0 360.0 -53.2 37.8 42.6 -12.7 2 20 A S T 4 + 0 0 107 2,-0.1 5,-0.1 1,-0.1 0, 0.0 0.547 360.0 65.6 -97.7 -12.2 35.5 45.0 -14.6 3 21 A D T 4 S+ 0 0 146 1,-0.1 -1,-0.1 3,-0.1 21,-0.1 0.858 103.4 42.3 -78.5 -38.6 37.7 48.1 -14.3 4 22 A R T 4 S+ 0 0 112 20,-0.1 20,-2.5 1,-0.1 2,-0.4 0.853 112.9 46.4 -80.2 -38.6 40.6 46.8 -16.4 5 23 A Y E < -A 23 0A 25 -4,-0.5 2,-0.5 18,-0.2 18,-0.2 -0.870 61.6-148.7-120.1 143.7 38.8 45.1 -19.3 6 24 A Q E -A 22 0A 112 16,-2.7 16,-2.7 -2,-0.4 2,-0.2 -0.932 25.7-126.6-108.7 121.7 36.0 46.0 -21.7 7 25 A R E +A 21 0A 142 -2,-0.5 14,-0.2 14,-0.2 3,-0.1 -0.468 31.4 169.6 -69.1 130.6 33.8 43.2 -23.0 8 26 A V E - 0 0 76 12,-3.3 2,-0.3 1,-0.4 13,-0.2 0.796 64.1 -28.4-100.9 -53.6 33.4 43.0 -26.8 9 27 A K E -A 20 0A 105 11,-1.2 11,-3.3 0, 0.0 -1,-0.4 -0.983 61.9 -95.7-159.2 160.9 31.7 39.6 -27.2 10 28 A K E -A 19 0A 86 -2,-0.3 9,-0.3 9,-0.2 3,-0.1 -0.673 31.0-178.2 -80.9 138.2 31.4 36.1 -25.7 11 29 A L E - 0 0 34 7,-3.5 2,-0.3 1,-0.3 8,-0.2 0.767 55.6 -21.4-106.3 -38.2 33.7 33.5 -27.3 12 30 A G E A 18 0A 6 6,-1.6 6,-2.7 75,-0.1 -1,-0.3 -0.987 360.0 360.0-166.2 171.2 32.9 30.3 -25.5 13 31 A S 0 0 77 -2,-0.3 3,-0.5 4,-0.2 -1,-0.1 0.150 360.0 360.0-148.7 360.0 31.4 28.3 -22.6 14 ! 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 15 34 A Y 0 0 69 0, 0.0 21,-0.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -43.4 35.6 25.4 -16.7 16 35 A G E - B 0 35A 25 -3,-0.5 2,-0.3 19,-0.2 19,-0.2 -0.925 360.0 -30.0 175.8-149.0 33.7 28.6 -17.4 17 36 A E E - B 0 34A 83 17,-1.3 17,-3.5 -2,-0.3 2,-0.5 -0.728 39.7-150.9-102.4 146.6 33.0 31.4 -19.8 18 37 A V E -AB 12 33A 20 -6,-2.7 -7,-3.5 -2,-0.3 -6,-1.6 -0.977 16.2-171.0-118.5 127.2 35.5 33.0 -22.3 19 38 A L E -AB 10 32A 29 13,-2.7 13,-3.0 -2,-0.5 2,-0.6 -0.911 25.1-129.8-119.3 143.6 35.1 36.6 -23.4 20 39 A L E +AB 9 31A 6 -11,-3.3 -12,-3.3 -2,-0.4 -11,-1.2 -0.832 42.6 179.3 -85.8 119.1 36.8 38.8 -26.0 21 40 A C E -AB 7 30A 7 9,-3.4 9,-3.3 -2,-0.6 2,-0.4 -0.916 26.5-139.3-129.5 150.1 38.0 41.9 -24.2 22 41 A K E -AB 6 29A 31 -16,-2.7 -16,-2.7 -2,-0.3 2,-0.5 -0.869 29.9-114.1-104.9 140.3 39.8 45.2 -24.9 23 42 A D E A 5 0A 17 5,-1.9 -18,-0.2 -2,-0.4 -19,-0.1 -0.627 360.0 360.0 -74.1 119.2 42.4 46.7 -22.5 24 43 A K 0 0 117 -20,-2.5 -1,-0.2 -2,-0.5 -19,-0.1 0.973 360.0 360.0 -67.5 360.0 40.9 49.9 -21.1 25 ! 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 26 45 A T 0 0 104 0, 0.0 -4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.3 47.5 49.4 -23.8 27 46 A G + 0 0 62 -5,-0.1 2,-0.1 2,-0.1 -3,-0.1 0.050 360.0 137.6-129.6 23.5 44.5 48.9 -26.1 28 47 A A - 0 0 39 -6,-0.1 -5,-1.9 1,-0.1 2,-0.3 -0.329 54.1-114.8 -74.4 152.5 45.2 45.3 -27.2 29 48 A E E -B 22 0A 62 -7,-0.2 54,-0.5 -2,-0.1 2,-0.3 -0.708 36.8-178.7 -90.5 138.9 42.4 42.7 -27.5 30 49 A R E -BC 21 82A 51 -9,-3.3 -9,-3.4 -2,-0.3 2,-0.6 -0.934 29.2-127.7-135.8 154.4 42.5 39.6 -25.2 31 50 A A E -BC 20 81A 0 50,-1.8 50,-3.0 -2,-0.3 2,-0.5 -0.936 29.9-164.5-103.5 117.8 40.6 36.4 -24.6 32 51 A I E -BC 19 80A 7 -13,-3.0 -13,-2.7 -2,-0.6 2,-0.5 -0.909 7.9-154.0-112.0 121.2 39.7 36.1 -20.9 33 52 A K E -BC 18 79A 6 46,-2.3 46,-2.1 -2,-0.5 2,-0.7 -0.816 7.1-155.0 -92.2 124.1 38.6 32.9 -19.3 34 53 A I E -BC 17 78A 37 -17,-3.5 -17,-1.3 -2,-0.5 2,-0.6 -0.901 10.5-170.4-101.0 111.5 36.4 33.3 -16.2 35 54 A I E -BC 16 77A 0 42,-2.6 42,-2.8 -2,-0.7 2,-0.3 -0.916 14.4-142.2-105.8 116.0 36.6 30.2 -14.0 36 55 A K E >> - C 0 76A 36 -21,-0.7 4,-0.8 -2,-0.6 3,-0.7 -0.618 7.2-141.0 -77.2 130.2 34.1 30.1 -11.1 37 56 A K G >4 S+ 0 0 59 38,-1.8 3,-0.6 -2,-0.3 -1,-0.1 0.842 102.5 53.9 -55.3 -38.9 35.4 28.7 -7.8 38 57 A S G 34 S+ 0 0 126 37,-0.3 -1,-0.2 1,-0.2 38,-0.1 0.768 102.4 57.6 -69.2 -28.9 32.1 26.9 -7.2 39 58 A S G <4 S+ 0 0 75 -3,-0.7 2,-0.3 -24,-0.1 -1,-0.2 0.681 105.0 57.5 -77.0 -20.0 32.1 25.2 -10.6 40 59 A V S << S- 0 0 30 -4,-0.8 2,-0.6 -3,-0.6 115,-0.0 -0.875 70.3-139.8-118.9 146.2 35.5 23.5 -10.0 41 60 A T - 0 0 82 -2,-0.3 2,-0.2 2,-0.0 -3,-0.1 -0.921 29.9-126.7-102.4 121.4 36.9 21.1 -7.3 42 61 A T - 0 0 98 -2,-0.6 113,-0.2 113,-0.2 112,-0.1 -0.432 26.3-179.9 -73.3 137.5 40.5 21.9 -6.3 43 62 A T + 0 0 78 111,-3.1 2,-0.3 -2,-0.2 112,-0.2 0.367 65.1 43.9-116.1 -0.9 43.1 19.2 -6.5 44 63 A S S S- 0 0 34 110,-0.6 110,-0.1 1,-0.1 2,-0.0 -0.837 86.3 -89.7-137.1 172.6 46.1 21.1 -5.3 45 64 A N >> - 0 0 112 -2,-0.3 4,-0.8 1,-0.1 3,-0.7 -0.212 43.4-100.5 -78.2 174.7 47.2 23.7 -2.6 46 65 A S H 3> S+ 0 0 122 1,-0.2 4,-0.6 2,-0.2 -1,-0.1 0.756 119.9 49.8 -68.9 -27.3 47.1 27.5 -2.9 47 66 A G H 3> S+ 0 0 47 1,-0.2 4,-0.7 2,-0.1 -1,-0.2 0.520 100.0 64.9 -90.7 -7.6 50.8 27.8 -3.6 48 67 A A H <> S+ 0 0 29 -3,-0.7 4,-1.4 2,-0.2 -2,-0.2 0.816 98.4 50.9 -84.9 -34.8 50.9 25.2 -6.4 49 68 A L H X S+ 0 0 16 -4,-0.8 4,-2.2 2,-0.2 -2,-0.1 0.900 109.1 50.3 -70.0 -43.3 48.6 27.0 -8.9 50 69 A L H X S+ 0 0 59 -4,-0.6 4,-1.4 1,-0.2 -1,-0.2 0.805 109.5 52.6 -64.8 -32.2 50.6 30.3 -8.7 51 70 A D H X S+ 0 0 61 -4,-0.7 4,-0.8 2,-0.2 -1,-0.2 0.860 110.4 46.9 -70.7 -38.3 53.8 28.4 -9.3 52 71 A E H X S+ 0 0 62 -4,-1.4 4,-2.7 2,-0.2 3,-0.5 0.859 107.0 57.5 -71.0 -37.9 52.4 26.7 -12.4 53 72 A V H X S+ 0 0 10 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.887 101.0 57.5 -57.7 -41.9 51.1 30.0 -13.7 54 73 A A H < S+ 0 0 49 -4,-1.4 4,-0.3 1,-0.2 -1,-0.2 0.813 112.1 41.7 -58.1 -33.4 54.7 31.4 -13.6 55 74 A V H >X S+ 0 0 60 -4,-0.8 3,-1.0 -3,-0.5 4,-0.8 0.875 110.7 55.6 -79.2 -42.3 55.7 28.5 -15.9 56 75 A L H 3< S+ 0 0 8 -4,-2.7 11,-0.6 1,-0.3 3,-0.3 0.781 103.0 56.4 -63.5 -30.3 52.6 28.8 -18.2 57 76 A K T 3< S+ 0 0 74 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.733 103.8 55.0 -70.8 -24.7 53.4 32.5 -18.8 58 77 A Q T <4 S+ 0 0 147 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 0.678 80.6 111.5 -83.3 -20.6 56.8 31.6 -20.1 59 78 A L < - 0 0 7 -4,-0.8 2,-0.4 -3,-0.3 8,-0.3 -0.343 43.4-178.2 -61.2 129.5 55.5 29.1 -22.7 60 79 A D + 0 0 116 -2,-0.1 5,-0.1 6,-0.1 -1,-0.1 -0.875 21.7 130.9-138.0 99.8 56.1 30.3 -26.3 61 80 A H > - 0 0 41 3,-0.4 3,-1.8 -2,-0.4 53,-0.0 -0.984 57.2-126.3-152.3 138.8 54.9 28.2 -29.2 62 81 A P T 3 S+ 0 0 75 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.730 112.7 45.6 -54.6 -27.4 52.8 28.9 -32.4 63 82 A N T 3 S+ 0 0 12 82,-0.1 83,-2.7 47,-0.1 2,-0.4 0.082 100.9 80.1-108.8 22.2 50.3 26.2 -31.4 64 83 A I B < S-e 146 0B 3 -3,-1.8 -3,-0.4 81,-0.3 2,-0.2 -0.997 84.0-113.9-132.9 127.7 49.9 27.1 -27.8 65 84 A M - 0 0 3 81,-2.5 2,-0.3 -2,-0.4 -6,-0.1 -0.419 34.4-126.3 -58.8 124.3 47.7 29.8 -26.3 66 85 A K - 0 0 52 -2,-0.2 16,-1.5 -4,-0.1 2,-0.6 -0.597 16.9-146.3 -74.5 131.2 49.9 32.5 -24.8 67 86 A L E +D 81 0A 8 -11,-0.6 14,-0.2 -2,-0.3 3,-0.1 -0.909 24.3 168.7-101.5 122.6 49.0 33.3 -21.2 68 87 A Y E + 0 0 86 12,-3.1 2,-0.3 -2,-0.6 13,-0.2 0.880 59.7 12.0 -96.0 -53.0 49.5 37.0 -20.2 69 88 A E E -D 80 0A 75 11,-1.5 11,-2.5 2,-0.0 2,-0.4 -0.925 47.9-161.6-134.1 153.6 47.8 37.5 -16.8 70 89 A F E +D 79 0A 40 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.927 20.9 179.7-135.9 109.8 46.3 35.5 -14.0 71 90 A F E -D 78 0A 67 7,-2.5 7,-2.5 -2,-0.4 2,-0.3 -0.713 6.8-163.7-108.4 160.0 44.0 37.4 -11.6 72 91 A E E +D 77 0A 111 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.993 14.0 160.3-140.1 147.1 42.1 36.3 -8.5 73 92 A D - 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0 0 35 -54,-0.5 2,-0.3 -53,-0.1 -1,-0.1 -0.363 38.8-174.6 -71.8 148.2 42.9 36.7 -28.9 84 103 A Y + 0 0 10 -2,-0.1 52,-0.2 -54,-0.1 53,-0.2 -0.959 12.1 172.1-142.9 134.6 41.3 34.0 -31.0 85 104 A R + 0 0 118 51,-2.1 52,-0.2 -2,-0.3 51,-0.2 0.415 65.8 74.7-120.8 -4.4 38.5 34.7 -33.6 86 105 A G S S- 0 0 11 49,-2.1 50,-0.2 1,-0.3 51,-0.1 0.272 87.8-137.9 -97.4 10.5 38.1 31.4 -35.4 87 106 A G - 0 0 20 48,-0.3 48,-3.0 49,-0.1 -1,-0.3 -0.318 41.7 -40.7 67.8-150.0 36.3 29.5 -32.6 88 107 A E B >> -F 134 0B 38 46,-0.2 4,-1.1 1,-0.1 3,-0.6 -0.681 44.3-114.7-111.1 163.4 37.1 25.9 -31.8 89 108 A L H 3> S+ 0 0 2 44,-2.6 4,-2.0 41,-1.3 42,-0.2 0.840 115.0 68.3 -62.0 -33.9 37.9 22.8 -33.8 90 109 A F H 3> S+ 0 0 75 40,-0.9 4,-1.5 43,-0.2 -1,-0.2 0.854 97.4 51.8 -50.9 -41.1 34.6 21.4 -32.4 91 110 A D H <> S+ 0 0 70 -3,-0.6 4,-2.0 1,-0.2 -1,-0.2 0.910 108.4 49.8 -63.3 -45.5 32.8 24.0 -34.5 92 111 A E H X S+ 0 0 60 -4,-1.1 4,-3.1 1,-0.2 5,-0.4 0.807 105.9 57.1 -64.1 -33.0 34.6 23.0 -37.7 93 112 A I H X S+ 0 0 26 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.889 108.1 46.7 -66.0 -41.0 33.8 19.3 -37.1 94 113 A I H < S+ 0 0 106 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.918 117.4 44.5 -62.6 -44.1 30.0 20.2 -37.0 95 114 A L H < S+ 0 0 131 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.898 126.9 27.1 -69.0 -44.3 30.4 22.3 -40.2 96 115 A R H < S- 0 0 96 -4,-3.1 2,-2.5 1,-0.1 -3,-0.2 0.723 80.4-160.4 -93.4 -24.8 32.6 19.8 -42.2 97 116 A Q S < S+ 0 0 148 -4,-2.2 2,-0.3 -5,-0.4 -1,-0.1 -0.378 76.7 19.0 71.0 -60.2 31.5 16.5 -40.6 98 117 A K S S- 0 0 83 -2,-2.5 2,-0.3 -3,-0.1 93,-0.2 -0.977 79.8-134.9-134.9 154.6 34.6 14.8 -41.8 99 118 A F - 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