==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-JAN-09 3FUP . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE JAK2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.K.WILLIAMS,R.S.BAMERT,O.PATEL,E.FANTINO,J.ROSSJOHN, . 575 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28102.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 403 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 89 15.5 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 46 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 177 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 1 1 1 1 1 2 2 1 0 0 1 1 2 2 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 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 PARALLEL BRIDGES PER LADDER . 2 4 0 5 1 0 2 2 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 . 4 0 2 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 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 1 843 A Q 0 0 147 0, 0.0 2,-0.5 0, 0.0 74,-0.1 0.000 360.0 360.0 360.0-107.0 -78.3 4.0 2.8 2 844 A F - 0 0 34 72,-1.0 2,-0.4 5,-0.0 74,-0.3 -0.947 360.0-153.3-114.9 122.7 -75.6 2.8 0.4 3 845 A E > - 0 0 81 -2,-0.5 3,-1.3 1,-0.1 74,-0.1 -0.819 14.0-140.4 -99.1 134.3 -76.1 -0.4 -1.6 4 846 A E G > S+ 0 0 91 -2,-0.4 3,-1.4 72,-0.4 -1,-0.1 0.832 101.7 55.9 -54.4 -45.2 -73.2 -2.5 -2.9 5 847 A R G 3 S+ 0 0 188 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.640 105.4 54.0 -63.6 -16.4 -74.9 -3.3 -6.2 6 848 A H G < S+ 0 0 20 -3,-1.3 21,-3.6 2,-0.0 2,-0.6 0.230 89.8 93.2-103.6 11.6 -75.3 0.5 -6.9 7 849 A L E < -A 26 0A 24 -3,-1.4 2,-0.5 19,-0.2 19,-0.2 -0.924 58.0-163.1-118.9 114.2 -71.6 1.2 -6.4 8 850 A K E -A 25 0A 69 17,-2.5 17,-2.1 -2,-0.6 2,-0.2 -0.829 18.3-125.7-107.2 128.8 -69.2 1.3 -9.3 9 851 A F E +A 24 0A 121 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.512 34.1 163.5 -72.9 133.7 -65.5 1.1 -9.1 10 852 A L E - 0 0 80 13,-3.4 2,-0.3 1,-0.4 14,-0.2 0.731 58.4 -39.6-114.5 -51.0 -63.5 3.9 -10.8 11 853 A Q E -A 23 0A 105 12,-1.6 12,-4.0 0, 0.0 -1,-0.4 -0.987 55.9 -83.0-170.5 167.5 -60.1 3.7 -9.3 12 854 A Q E +A 22 0A 72 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.610 33.1 178.1 -73.0 129.1 -57.8 3.2 -6.3 13 855 A L E - 0 0 66 8,-4.1 2,-0.3 1,-0.4 9,-0.2 0.654 55.3 -48.0-104.7 -24.0 -57.3 6.4 -4.3 14 856 A G E -A 21 0A 27 7,-1.4 7,-2.7 2,-0.0 -1,-0.4 -0.972 37.2-126.7 175.7 168.6 -55.0 5.2 -1.6 15 857 A K E +A 20 0A 127 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.976 22.6 177.8-140.4 151.4 -54.1 2.7 1.1 16 858 A G E > -A 19 0A 13 3,-2.4 3,-1.2 -2,-0.3 2,-1.1 -0.859 58.8 -46.2-157.9 110.5 -53.3 3.4 4.7 17 859 A N T 3 S- 0 0 61 -2,-0.3 153,-0.1 1,-0.3 135,-0.0 -0.520 128.5 -16.3 67.6 -97.8 -52.4 1.1 7.6 18 860 A F T 3 S+ 0 0 83 -2,-1.1 25,-0.9 31,-0.1 26,-0.4 -0.064 122.8 84.2-128.7 31.8 -55.1 -1.6 7.1 19 861 A G E < -AB 16 42A 4 -3,-1.2 -3,-2.4 23,-0.3 2,-0.3 -0.923 54.6-156.0-126.5 157.1 -57.5 0.3 4.8 20 862 A S E -AB 15 41A 0 21,-2.7 21,-1.9 -2,-0.3 2,-0.4 -0.945 11.1-144.7-123.1 156.8 -57.8 1.0 1.1 21 863 A V E -AB 14 40A 28 -7,-2.7 -8,-4.1 -2,-0.3 -7,-1.4 -0.979 16.6-173.3-123.9 127.9 -59.7 3.9 -0.5 22 864 A E E -AB 12 39A 32 17,-2.6 17,-2.4 -2,-0.4 2,-0.7 -0.912 24.5-131.1-120.6 147.6 -61.5 3.7 -3.8 23 865 A M E +AB 11 38A 33 -12,-4.0 -13,-3.4 -2,-0.4 -12,-1.6 -0.853 41.5 165.2 -94.6 116.1 -63.2 6.1 -6.1 24 866 A C E -AB 9 37A 5 13,-2.1 13,-2.9 -2,-0.7 2,-0.5 -0.938 35.8-126.9-126.7 153.5 -66.7 4.8 -6.9 25 867 A R E -AB 8 36A 62 -17,-2.1 -17,-2.5 -2,-0.3 2,-0.7 -0.904 16.4-143.9 -97.2 125.8 -69.8 6.2 -8.4 26 868 A Y E +AB 7 35A 37 9,-2.7 9,-1.0 -2,-0.5 -19,-0.2 -0.805 31.3 166.3 -84.6 117.7 -73.0 5.7 -6.4 27 869 A D > + 0 0 1 -21,-3.6 3,-1.7 -2,-0.7 5,-0.2 -0.487 12.8 160.5-135.8 64.3 -75.6 5.1 -9.1 28 870 A P T 3 S+ 0 0 53 0, 0.0 -1,-0.1 0, 0.0 -21,-0.1 0.762 82.5 51.5 -60.0 -24.5 -78.8 3.8 -7.7 29 871 A L T 3 S- 0 0 134 -3,-0.1 -2,-0.0 -23,-0.1 -3,-0.0 0.588 99.6-141.6 -89.5 -8.4 -80.8 4.8 -10.7 30 872 A Q S < S+ 0 0 100 -3,-1.7 -3,-0.1 -24,-0.1 -4,-0.0 0.870 71.9 110.6 56.3 42.9 -78.2 3.0 -12.9 31 873 A D S S- 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.058 94.9-104.3-132.8 14.2 -78.4 5.8 -15.5 32 874 A N S S+ 0 0 100 -5,-0.2 -5,-0.1 1,-0.1 -6,-0.0 0.922 96.2 108.2 49.9 48.6 -74.9 7.3 -14.9 33 875 A T + 0 0 88 2,-0.1 -1,-0.1 -7,-0.0 -6,-0.1 0.204 48.6 116.7-124.9 9.2 -76.3 10.2 -13.0 34 876 A G - 0 0 16 1,-0.1 2,-0.4 -9,-0.1 -7,-0.2 -0.126 68.0 -98.5 -75.1 175.6 -75.1 9.1 -9.6 35 877 A E E -B 26 0A 102 -9,-1.0 -9,-2.7 1,-0.0 2,-0.5 -0.779 26.8-117.6-109.9 138.6 -72.5 10.9 -7.4 36 878 A V E +B 25 0A 40 -2,-0.4 50,-0.7 -11,-0.2 2,-0.2 -0.578 43.0 168.1 -78.0 121.8 -68.8 10.2 -7.1 37 879 A V E -BC 24 85A 0 -13,-2.9 -13,-2.1 -2,-0.5 2,-0.4 -0.768 34.8-115.6-124.6 169.9 -67.8 9.1 -3.6 38 880 A A E -BC 23 84A 7 46,-2.3 46,-3.4 -2,-0.2 2,-0.5 -0.937 26.6-161.9-107.5 136.8 -64.8 7.7 -1.8 39 881 A V E -BC 22 83A 1 -17,-2.4 -17,-2.6 -2,-0.4 2,-0.5 -0.965 2.2-160.2-122.1 121.3 -65.2 4.3 -0.2 40 882 A K E +BC 21 82A 5 42,-2.7 42,-3.1 -2,-0.5 2,-0.3 -0.881 17.0 172.2-103.1 131.1 -62.8 3.0 2.4 41 883 A K E -BC 20 81A 79 -21,-1.9 -21,-2.7 -2,-0.5 2,-0.4 -0.905 42.8 -94.1-124.3 156.8 -62.6 -0.8 3.0 42 884 A L E -B 19 0A 29 38,-0.6 3,-0.4 -2,-0.3 -23,-0.3 -0.678 29.1-144.6 -66.0 126.0 -60.4 -3.0 5.1 43 885 A Q S S+ 0 0 61 -25,-0.9 2,-0.3 -2,-0.4 -1,-0.1 0.775 94.1 11.6 -63.7 -31.7 -57.6 -4.2 2.7 44 886 A H S S- 0 0 153 -26,-0.4 -1,-0.3 -3,-0.0 2,-0.1 -0.833 92.2-128.2-146.9 110.5 -57.7 -7.6 4.6 45 887 A S + 0 0 80 -3,-0.4 2,-0.3 -2,-0.3 3,-0.1 -0.350 34.1 164.8 -65.6 131.4 -60.6 -8.2 7.0 46 888 A T - 0 0 57 -2,-0.1 4,-0.4 1,-0.1 5,-0.1 -0.849 44.7-122.3-130.4 166.6 -60.0 -9.3 10.6 47 889 A E S > S+ 0 0 122 -2,-0.3 4,-2.4 2,-0.2 3,-0.4 0.903 116.7 42.7 -76.3 -42.1 -62.2 -9.3 13.7 48 890 A E H > S+ 0 0 124 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.922 114.0 51.2 -64.4 -46.0 -59.8 -7.1 15.6 49 891 A H H > S+ 0 0 40 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.640 114.2 44.9 -69.7 -13.3 -59.2 -4.8 12.6 50 892 A L H > S+ 0 0 16 -3,-0.4 4,-3.3 -4,-0.4 5,-0.2 0.787 103.4 58.7-109.6 -39.6 -62.9 -4.4 12.1 51 893 A R H X S+ 0 0 107 -4,-2.4 4,-0.9 2,-0.2 -2,-0.2 0.880 113.8 45.1 -35.4 -47.1 -63.8 -3.8 15.7 52 894 A D H X S+ 0 0 54 -4,-1.6 4,-2.1 2,-0.2 -2,-0.3 0.884 109.8 53.2 -76.6 -40.4 -61.3 -1.0 15.1 53 895 A F H X S+ 0 0 5 -4,-1.1 4,-2.4 1,-0.2 -2,-0.2 0.926 104.4 54.5 -56.6 -48.0 -62.9 -0.1 11.7 54 896 A E H X S+ 0 0 91 -4,-3.3 4,-1.5 1,-0.2 -1,-0.2 0.818 110.4 48.8 -60.3 -31.6 -66.4 0.3 13.3 55 897 A R H X S+ 0 0 94 -4,-0.9 4,-2.8 2,-0.2 -1,-0.2 0.878 107.2 52.5 -70.9 -44.1 -64.9 2.7 15.8 56 898 A E H X S+ 0 0 16 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.897 109.4 52.2 -57.7 -41.0 -63.1 4.8 13.2 57 899 A I H X S+ 0 0 5 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.900 109.6 46.7 -62.8 -43.6 -66.4 5.0 11.5 58 900 A E H X S+ 0 0 118 -4,-1.5 4,-1.1 2,-0.2 -2,-0.2 0.859 110.9 55.0 -65.7 -37.1 -68.2 6.2 14.7 59 901 A I H >< S+ 0 0 12 -4,-2.8 3,-0.8 2,-0.2 4,-0.3 0.972 112.8 40.3 -58.6 -53.2 -65.3 8.7 15.1 60 902 A L H >< S+ 0 0 3 -4,-2.6 3,-2.0 1,-0.3 11,-0.3 0.914 110.7 56.1 -69.6 -44.0 -65.8 10.2 11.7 61 903 A K H 3< S+ 0 0 106 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.764 106.2 55.0 -51.3 -28.4 -69.6 10.2 11.8 62 904 A S T << S+ 0 0 30 -4,-1.1 2,-0.5 -3,-0.8 -1,-0.3 0.501 92.3 87.0 -86.8 -8.0 -69.1 12.3 15.1 63 905 A L < + 0 0 11 -3,-2.0 2,-0.4 -4,-0.3 8,-0.3 -0.813 45.7 170.0 -96.5 124.3 -67.0 14.9 13.4 64 906 A Q + 0 0 162 -2,-0.5 2,-0.3 6,-0.1 5,-0.1 -0.794 28.6 128.5-134.8 96.4 -68.7 17.9 11.6 65 907 A H > - 0 0 51 3,-0.4 3,-2.0 -2,-0.4 53,-0.1 -0.996 65.1-119.7-151.4 146.0 -66.2 20.5 10.6 66 908 A D T 3 S+ 0 0 105 -2,-0.3 -1,-0.1 1,-0.3 4,-0.1 0.801 116.3 45.9 -58.4 -28.7 -65.2 22.5 7.5 67 909 A N T 3 S+ 0 0 11 79,-0.1 80,-2.7 47,-0.1 2,-0.4 -0.033 97.6 85.4-108.5 29.2 -61.7 20.9 7.7 68 910 A I B < S-e 147 0B 3 -3,-2.0 -3,-0.4 78,-0.3 80,-0.2 -0.978 85.1-109.4-130.7 122.7 -62.7 17.3 8.3 69 911 A V - 0 0 3 78,-3.2 2,-0.8 -2,-0.4 -4,-0.1 -0.010 43.2-105.9 -48.6 157.8 -63.6 14.9 5.5 70 912 A K - 0 0 112 15,-0.1 15,-2.0 -6,-0.1 -1,-0.1 -0.789 16.8-143.2-115.9 98.5 -67.3 14.1 5.3 71 913 A Y E +D 84 0A 43 -2,-0.8 13,-0.3 -11,-0.3 3,-0.1 -0.308 20.0 176.5 -44.8 126.1 -68.9 10.8 6.3 72 914 A K E - 0 0 69 11,-3.5 2,-0.3 1,-0.4 12,-0.2 0.693 52.7 -77.7-103.9 -32.7 -71.7 10.1 3.9 73 915 A G E -D 83 0A 0 10,-1.8 10,-2.7 -72,-0.0 -1,-0.4 -0.986 45.7 -82.0 161.7-165.2 -72.7 6.7 5.2 74 916 A V E -D 82 0A 15 -2,-0.3 -72,-1.0 8,-0.2 2,-0.3 -0.854 21.8-150.9-131.0 165.8 -71.8 3.0 5.3 75 917 A C E -D 81 0A 1 6,-2.3 6,-1.9 -2,-0.3 2,-0.4 -0.909 14.0-159.1-143.8 115.9 -72.2 -0.1 3.2 76 918 A Y 0 0 139 -2,-0.3 -72,-0.4 -74,-0.3 4,-0.1 -0.883 360.0 360.0 -90.9 136.1 -72.5 -3.8 4.2 77 919 A S 0 0 91 -2,-0.4 -1,-0.3 2,-0.3 3,-0.2 0.201 360.0 360.0 -62.4 360.0 -72.1 -6.7 3.0 78 ! 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 79 924 A N 0 0 100 0, 0.0 -2,-0.3 0, 0.0 -4,-0.0 0.000 360.0 360.0 360.0 -51.4 -68.3 -6.9 4.3 80 925 A L - 0 0 13 -3,-0.2 -38,-0.6 -4,-0.1 2,-0.4 -0.192 360.0-178.6 -79.9 128.7 -68.2 -3.2 6.0 81 926 A K E -CD 41 75A 33 -6,-1.9 -6,-2.3 -40,-0.1 2,-0.6 -0.964 19.7-141.1-130.0 142.3 -67.5 -0.2 3.9 82 927 A L E -CD 40 74A 1 -42,-3.1 -42,-2.7 -2,-0.4 2,-0.6 -0.900 13.9-154.5-106.8 118.8 -67.2 3.5 4.8 83 928 A I E +CD 39 73A 0 -10,-2.7 -11,-3.5 -2,-0.6 -10,-1.8 -0.821 20.8 169.1 -95.3 120.4 -68.6 6.1 2.3 84 929 A M E -CD 38 71A 11 -46,-3.4 -46,-2.3 -2,-0.6 -13,-0.2 -0.797 42.5 -85.7-115.7 165.3 -67.1 9.6 2.4 85 930 A E E -C 37 0A 21 -15,-2.0 2,-0.5 -2,-0.3 -48,-0.2 -0.423 47.0-120.4 -55.0 142.1 -67.4 12.6 0.1 86 931 A Y - 0 0 64 -50,-0.7 -50,-0.1 -2,-0.1 -1,-0.1 -0.815 19.6-154.5 -90.2 125.9 -64.9 12.5 -2.7 87 932 A L > - 0 0 10 -2,-0.5 3,-1.7 1,-0.1 52,-0.2 -0.883 6.5-149.4-106.4 119.0 -62.4 15.4 -2.9 88 933 A P T 3 S+ 0 0 76 0, 0.0 52,-0.1 0, 0.0 -1,-0.1 0.552 86.0 57.9 -71.7 -12.9 -61.2 16.0 -6.4 89 934 A Y T 3 S- 0 0 120 50,-1.4 51,-0.1 1,-0.2 52,-0.1 0.422 93.7-144.0 -96.3 -1.1 -57.6 17.3 -5.8 90 935 A G < - 0 0 30 -3,-1.7 49,-2.7 49,-0.3 -1,-0.2 -0.238 48.6 -9.6 79.2-160.2 -56.4 14.2 -3.8 91 936 A S B > -F 138 0B 20 47,-0.2 4,-2.6 1,-0.1 47,-0.3 -0.363 60.7-122.7 -74.6 152.2 -54.0 14.2 -0.9 92 937 A L H > S+ 0 0 0 45,-2.7 4,-3.0 42,-0.8 5,-0.3 0.893 112.5 61.2 -59.9 -41.3 -52.1 17.4 0.1 93 938 A R H > S+ 0 0 80 41,-1.2 4,-1.7 44,-0.3 -1,-0.2 0.927 112.0 33.6 -46.4 -54.5 -48.9 15.4 -0.4 94 939 A D H > S+ 0 0 62 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.854 117.2 55.8 -78.6 -33.8 -49.6 14.6 -4.1 95 940 A Y H X S+ 0 0 6 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.948 111.2 42.7 -61.9 -45.9 -51.2 17.9 -4.8 96 941 A L H < S+ 0 0 0 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.857 113.5 52.1 -73.0 -35.1 -48.3 19.9 -3.5 97 942 A Q H >< S+ 0 0 41 -4,-1.7 3,-0.5 -5,-0.3 -1,-0.2 0.937 116.2 39.0 -61.1 -50.1 -45.7 17.7 -5.2 98 943 A K H 3< S+ 0 0 119 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.744 124.9 38.0 -72.6 -23.0 -47.4 18.0 -8.7 99 944 A H T 3< + 0 0 66 -4,-1.4 3,-0.5 -5,-0.2 4,-0.3 -0.363 63.2 132.0-134.0 49.1 -48.4 21.6 -8.3 100 945 A K S X S+ 0 0 94 -3,-0.5 3,-1.5 1,-0.3 -1,-0.1 0.937 72.4 71.0 -81.9 -51.9 -45.6 23.5 -6.5 101 946 A E T 3 S+ 0 0 105 1,-0.2 -1,-0.3 -4,-0.1 456,-0.1 0.678 99.1 37.0 48.9-106.2 -46.0 25.7 -9.1 102 947 A R T 3 S+ 0 0 138 -3,-0.5 2,-0.6 1,-0.1 -1,-0.2 0.301 103.4 86.8 -87.9 7.8 -49.4 27.2 -8.2 103 948 A I < - 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