==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-AUG-02 1MBY . COMPND 2 MOLECULE: SERINE/THREONINE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR G.C.LEUNG,J.W.HUDSON,A.KOZAROVA,A.DAVIDSON,J.W.DENNIS, . 150 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9436.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 107 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 49.3 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 . 4 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 . 7 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 0 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 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 4 0 4 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 1 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 1 845 A S 0 0 152 0, 0.0 2,-0.4 0, 0.0 22,-0.0 0.000 360.0 360.0 360.0 159.9 18.4 17.1 27.0 2 846 A V + 0 0 58 21,-0.1 2,-0.3 20,-0.1 20,-0.0 -0.758 360.0 159.1 -94.4 134.5 15.3 17.7 29.2 3 847 A F - 0 0 111 -2,-0.4 20,-2.3 0, 0.0 21,-0.2 -0.986 45.2 -89.1-150.2 159.6 12.5 19.7 27.7 4 848 A V E +A 22 0A 39 -2,-0.3 18,-0.2 18,-0.2 3,-0.1 -0.471 37.2 173.8 -68.0 137.3 8.7 20.3 28.2 5 849 A K E + 0 0 99 16,-3.0 69,-1.8 1,-0.4 2,-0.3 0.755 66.2 10.5-111.3 -47.5 6.6 17.9 26.2 6 850 A N E -AB 21 73A 14 15,-2.1 15,-3.4 67,-0.2 -1,-0.4 -0.991 62.6-177.1-136.6 144.4 3.0 18.7 27.4 7 851 A V E +AB 20 72A 33 65,-2.4 65,-3.1 -2,-0.3 2,-0.3 -0.985 6.5 167.6-140.0 147.7 1.6 21.5 29.5 8 852 A G E -AB 19 71A 3 11,-2.6 11,-3.0 -2,-0.3 2,-0.3 -0.973 7.1-175.2-153.7 163.8 -1.9 22.2 30.9 9 853 A W E -AB 18 70A 67 61,-2.4 61,-2.4 -2,-0.3 2,-0.4 -0.989 13.7-160.4-158.5 161.6 -3.7 24.5 33.3 10 854 A A E -AB 17 69A 40 7,-2.2 7,-2.4 -2,-0.3 2,-0.3 -0.921 20.3-173.2-148.0 118.7 -7.0 25.1 34.8 11 855 A T E -A 16 0A 52 57,-2.8 5,-0.2 -2,-0.4 57,-0.1 -0.843 11.7-179.5-118.6 154.5 -7.7 28.5 36.5 12 856 A Q - 0 0 139 3,-2.6 -1,-0.1 -2,-0.3 56,-0.1 0.110 58.8 -56.8-117.5-127.7 -10.6 29.9 38.5 13 857 A L S S- 0 0 56 54,-0.1 53,-0.1 -2,-0.1 3,-0.0 0.940 123.3 -3.8 -89.9 -55.6 -10.7 33.4 39.9 14 858 A T S S+ 0 0 58 18,-0.0 20,-2.6 20,-0.0 2,-0.3 0.098 127.9 43.7-125.2 21.7 -7.7 33.8 42.2 15 859 A S E + C 0 33A 53 18,-0.3 -3,-2.6 93,-0.1 2,-0.3 -0.967 56.2 169.1-155.3 167.5 -6.1 30.4 42.0 16 860 A G E -AC 11 32A 17 16,-2.0 16,-2.9 -2,-0.3 2,-0.4 -0.984 26.1-119.6-170.4 175.8 -5.2 27.7 39.5 17 861 A A E -AC 10 31A 33 -7,-2.4 -7,-2.2 -2,-0.3 2,-0.4 -0.962 19.1-161.2-131.8 143.4 -3.4 24.4 38.8 18 862 A V E -AC 9 30A 46 12,-2.8 12,-3.0 -2,-0.4 2,-0.4 -0.985 2.7-165.0-126.6 140.0 -0.7 23.8 36.3 19 863 A W E -AC 8 29A 55 -11,-3.0 -11,-2.6 -2,-0.4 2,-0.4 -0.955 7.4-179.3-124.0 145.2 0.5 20.5 34.9 20 864 A V E -AC 7 28A 1 8,-2.4 8,-2.3 -2,-0.4 2,-0.5 -0.995 10.5-165.0-146.4 135.1 3.6 19.7 33.0 21 865 A Q E -AC 6 27A 44 -15,-3.4 -16,-3.0 -2,-0.4 -15,-2.1 -0.990 15.0-151.8-122.2 128.0 5.0 16.6 31.5 22 866 A F E > -A 4 0A 1 4,-2.2 3,-2.0 -2,-0.5 -18,-0.2 -0.453 30.8-103.7 -94.6 170.0 8.7 16.4 30.4 23 867 A N T 3 S+ 0 0 63 -20,-2.3 -19,-0.1 1,-0.3 -1,-0.1 0.737 117.3 63.1 -65.8 -20.0 10.3 14.3 27.7 24 868 A D T 3 S- 0 0 62 -21,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.407 119.9-105.8 -84.2 4.4 11.7 12.0 30.4 25 869 A G S < S+ 0 0 31 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.0 0.330 79.5 130.0 90.8 -8.5 8.2 10.9 31.4 26 870 A S - 0 0 0 -5,-0.1 -4,-2.2 93,-0.1 2,-0.3 -0.311 39.5-157.4 -78.7 166.7 8.3 12.9 34.6 27 871 A Q E -CD 21 116A 59 89,-2.3 89,-3.7 -6,-0.2 2,-0.4 -0.999 13.6-158.8-146.7 147.4 5.5 15.2 35.6 28 872 A L E -CD 20 115A 0 -8,-2.3 -8,-2.4 -2,-0.3 2,-0.4 -0.959 5.7-170.8-122.6 138.0 4.9 18.2 37.9 29 873 A V E -CD 19 114A 61 85,-1.9 85,-2.4 -2,-0.4 2,-0.3 -0.996 17.1-179.2-128.3 123.9 1.4 19.2 39.1 30 874 A M E -CD 18 113A 13 -12,-3.0 -12,-2.8 -2,-0.4 2,-0.4 -0.941 20.9-151.8-128.6 146.9 1.4 22.6 40.9 31 875 A Q E -CD 17 112A 114 81,-1.9 80,-2.6 -2,-0.3 81,-1.3 -0.944 21.9-178.3-116.3 141.4 -1.3 24.7 42.5 32 876 A A E -CD 16 110A 27 -16,-2.9 -16,-2.0 -2,-0.4 2,-0.3 -0.888 8.4-163.5-134.1 166.5 -0.9 28.5 42.6 33 877 A G E -CD 15 109A 20 76,-2.0 76,-1.8 -2,-0.3 2,-0.5 -0.992 27.2-106.8-152.7 155.8 -2.7 31.6 44.0 34 878 A V E - D 0 108A 18 -20,-2.6 74,-0.3 -2,-0.3 3,-0.1 -0.721 23.9-174.1 -85.9 127.4 -2.9 35.4 43.6 35 879 A S E S+ 0 0 54 72,-2.2 16,-1.1 -2,-0.5 2,-0.3 0.613 70.8 10.9 -94.2 -19.0 -1.4 37.2 46.6 36 880 A S E -ED 50 107A 21 71,-1.2 71,-2.1 14,-0.2 2,-0.5 -0.943 56.7-156.4-161.7 143.4 -2.4 40.7 45.4 37 881 A I E -ED 49 106A 6 12,-2.4 12,-3.4 -2,-0.3 2,-0.7 -0.984 6.1-168.3-123.1 122.2 -4.6 42.4 42.9 38 882 A S E -ED 48 105A 35 67,-2.8 67,-2.3 -2,-0.5 2,-0.5 -0.948 13.1-168.2-112.7 109.7 -3.9 45.9 41.7 39 883 A Y E -ED 47 104A 9 8,-3.0 8,-2.7 -2,-0.7 2,-0.6 -0.879 10.0-163.3-105.3 125.7 -6.9 47.2 39.8 40 884 A T E -ED 46 103A 28 63,-3.3 63,-2.5 -2,-0.5 6,-0.2 -0.947 19.5-140.4-108.4 114.7 -6.7 50.4 37.7 41 885 A S > - 0 0 28 4,-2.7 3,-2.2 -2,-0.6 60,-0.0 -0.205 27.5-105.9 -67.0 162.1 -10.1 51.7 36.8 42 886 A P T 3 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.799 122.5 63.2 -61.0 -23.3 -10.9 53.2 33.4 43 887 A D T 3 S- 0 0 116 2,-0.1 3,-0.1 1,-0.1 -2,-0.0 0.402 120.2-108.3 -82.4 6.3 -10.9 56.5 35.3 44 888 A G S < S+ 0 0 49 -3,-2.2 2,-0.4 1,-0.3 -1,-0.1 0.357 75.5 132.3 88.3 -6.8 -7.2 56.1 36.3 45 889 A Q - 0 0 134 -5,-0.0 -4,-2.7 2,-0.0 2,-0.4 -0.645 43.7-149.5 -81.7 134.5 -7.7 55.4 40.0 46 890 A T E -E 40 0A 81 -2,-0.4 2,-0.4 -6,-0.2 -6,-0.2 -0.878 14.8-177.7-109.6 136.0 -5.7 52.4 41.3 47 891 A T E -E 39 0A 60 -8,-2.7 -8,-3.0 -2,-0.4 2,-0.4 -0.996 12.5-150.8-131.1 131.7 -6.8 50.2 44.2 48 892 A R E -E 38 0A 144 -2,-0.4 2,-0.5 -10,-0.2 -10,-0.3 -0.861 5.7-162.5-104.8 136.0 -4.9 47.2 45.6 49 893 A Y E -E 37 0A 27 -12,-3.4 -12,-2.4 -2,-0.4 6,-0.1 -0.973 11.3-146.0-119.2 120.3 -6.6 44.2 47.2 50 894 A G E > -E 36 0A 11 -2,-0.5 3,-1.7 -14,-0.2 -14,-0.2 -0.290 34.2 -98.0 -74.8 170.5 -4.5 41.9 49.5 51 895 A E T 3 S+ 0 0 129 -16,-1.1 -15,-0.1 1,-0.3 -1,-0.1 0.802 122.8 49.7 -61.5 -31.3 -5.2 38.2 49.6 52 896 A N T 3 S+ 0 0 167 -17,-0.2 2,-0.4 2,-0.1 -1,-0.3 0.155 91.0 97.5 -95.9 20.2 -7.3 38.5 52.7 53 897 A E S < S- 0 0 97 -3,-1.7 2,-0.2 1,-0.0 -4,-0.0 -0.845 79.3-111.9-108.6 145.2 -9.5 41.3 51.5 54 898 A K - 0 0 183 -2,-0.4 -4,-0.1 1,-0.1 -2,-0.1 -0.505 32.4-130.8 -72.1 140.0 -13.0 40.8 50.1 55 899 A L - 0 0 22 -2,-0.2 -1,-0.1 -6,-0.1 5,-0.0 -0.785 18.5-118.6 -95.4 134.6 -13.1 41.6 46.4 56 900 A P >> - 0 0 37 0, 0.0 4,-1.8 0, 0.0 3,-0.8 -0.308 30.0-110.1 -65.2 156.7 -15.9 43.8 45.1 57 901 A E H 3> S+ 0 0 116 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.850 113.6 59.7 -57.6 -39.1 -18.3 42.2 42.6 58 902 A Y H 3> S+ 0 0 113 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.827 107.6 46.9 -63.7 -28.3 -17.1 44.2 39.6 59 903 A I H <> S+ 0 0 0 -3,-0.8 4,-2.5 2,-0.2 -1,-0.2 0.890 110.4 52.3 -77.2 -40.3 -13.6 42.9 40.0 60 904 A K H X S+ 0 0 63 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.929 107.6 52.5 -59.9 -43.8 -14.7 39.3 40.4 61 905 A Q H < S+ 0 0 130 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.843 111.5 46.0 -62.3 -34.9 -16.8 39.5 37.2 62 906 A K H >< S+ 0 0 19 -4,-1.0 3,-0.9 -5,-0.2 4,-0.3 0.871 110.2 53.8 -75.8 -35.2 -13.7 40.8 35.3 63 907 A L H >X S+ 0 0 2 -4,-2.5 3,-2.1 1,-0.2 4,-0.7 0.888 101.3 60.7 -62.5 -39.6 -11.5 38.0 36.9 64 908 A Q T 3< S+ 0 0 112 -4,-2.4 3,-0.4 1,-0.3 -1,-0.2 0.741 91.0 67.2 -61.3 -21.9 -14.0 35.4 35.7 65 909 A L T <4 S+ 0 0 79 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.694 101.1 51.7 -71.9 -14.5 -13.3 36.5 32.1 66 910 A L T <4 S+ 0 0 40 -3,-2.1 -1,-0.2 -4,-0.3 -2,-0.2 0.689 79.3 112.9 -93.5 -20.9 -9.8 35.1 32.7 67 911 A S < + 0 0 30 -4,-0.7 2,-0.3 -3,-0.4 -55,-0.2 -0.295 44.5 147.2 -57.6 129.0 -10.8 31.6 34.0 68 912 A S - 0 0 51 -57,-0.1 -57,-2.8 -56,-0.1 2,-0.4 -0.983 45.0-132.9-159.6 166.7 -9.8 28.9 31.5 69 913 A I E -B 10 0A 121 -2,-0.3 2,-0.4 -59,-0.2 -59,-0.2 -0.995 28.6-178.8-124.1 128.4 -8.6 25.4 30.9 70 914 A L E -B 9 0A 51 -61,-2.4 -61,-2.4 -2,-0.4 2,-0.4 -0.983 11.7-177.4-133.3 142.4 -5.7 24.8 28.5 71 915 A L E -B 8 0A 112 -2,-0.4 2,-0.4 -63,-0.2 -63,-0.2 -0.990 7.0-179.6-135.9 127.8 -4.0 21.7 27.2 72 916 A M E -B 7 0A 119 -65,-3.1 -65,-2.4 -2,-0.4 2,-0.4 -0.997 2.1-176.0-133.1 130.1 -1.0 21.8 24.9 73 917 A F E -B 6 0A 118 -2,-0.4 2,-0.2 -67,-0.2 -67,-0.2 -0.967 31.3-116.0-126.6 141.3 0.9 18.8 23.5 74 918 A S 0 0 79 -69,-1.8 -69,-0.0 -2,-0.4 -2,-0.0 -0.552 360.0 360.0 -69.5 136.5 4.0 18.5 21.3 75 919 A N 0 0 211 -2,-0.2 -1,-0.1 0, 0.0 -2,-0.0 -0.483 360.0 360.0-120.1 360.0 2.9 16.8 18.1 76 !* 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 77 845 B S 0 0 153 0, 0.0 2,-0.2 0, 0.0 22,-0.1 0.000 360.0 360.0 360.0 -40.7 -19.9 43.5 26.6 78 846 B V + 0 0 62 21,-0.1 2,-0.3 20,-0.1 20,-0.0 -0.499 360.0 170.3 -70.2 134.2 -16.7 43.7 28.7 79 847 B F - 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