==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-AUG-05 2AKO . COMPND 2 MOLECULE: GLUTAMATE 5-KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CAMPYLOBACTER JEJUNI; . AUTHOR J.GORMAN,L.SHAPIRO,S.K.BURLEY,NEW YORK SGX RESEARCH CENTER . 964 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40555.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 732 75.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 140 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 3.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 71 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 354 36.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.5 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 8 0 3 0 5 0 4 0 0 0 4 0 2 6 0 0 0 0 0 4 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 8 0 0 4 12 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 . 6 2 4 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 4 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 2 A K 0 0 139 0, 0.0 37,-2.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 126.1 4.6 -1.7 5.4 2 3 A R E -a 38 0A 20 35,-0.2 153,-2.9 151,-0.1 154,-1.0 -0.949 360.0-168.1-118.6 137.1 4.9 -5.3 6.5 3 4 A I E -ab 39 156A 0 35,-3.1 37,-2.2 -2,-0.4 2,-0.5 -0.934 16.6-142.4-125.0 149.6 1.8 -7.5 6.9 4 5 A V E -ab 40 157A 0 152,-2.8 154,-3.3 -2,-0.3 2,-0.5 -0.970 15.7-161.3-105.4 128.3 1.1 -10.9 8.4 5 6 A V E -ab 41 158A 1 35,-3.1 37,-3.1 -2,-0.5 2,-0.5 -0.951 5.9-168.0-107.1 121.9 -1.4 -13.0 6.5 6 7 A K E -ab 42 159A 2 152,-3.1 154,-3.1 -2,-0.5 2,-0.5 -0.946 2.1-169.8-112.2 127.7 -2.9 -15.9 8.4 7 8 A V E -ab 43 160A 0 35,-2.5 37,-1.0 -2,-0.5 154,-0.2 -0.976 14.3-141.7-118.6 125.7 -4.9 -18.6 6.7 8 9 A G > - 0 0 6 152,-1.5 4,-1.1 -2,-0.5 36,-0.2 -0.180 28.2 -98.7 -78.2 175.0 -6.9 -21.1 8.7 9 10 A S H >> S+ 0 0 20 1,-0.2 4,-1.2 2,-0.2 3,-0.8 0.933 118.7 51.8 -61.0 -51.2 -7.4 -24.8 8.0 10 11 A H H 34 S+ 0 0 82 1,-0.2 3,-0.3 2,-0.2 -1,-0.2 0.822 102.8 62.2 -55.6 -37.7 -10.8 -24.6 6.3 11 12 A V H 34 S+ 0 0 4 1,-0.2 -1,-0.2 149,-0.2 -2,-0.2 0.874 117.0 26.7 -59.7 -39.5 -9.5 -22.0 3.9 12 13 A I H << S+ 0 0 0 -4,-1.1 7,-2.5 -3,-0.8 2,-0.3 0.407 120.3 54.2-111.1 4.6 -6.9 -24.3 2.4 13 14 A S B < -H 18 0B 10 -4,-1.2 5,-0.2 5,-0.3 2,-0.2 -0.992 55.1-152.4-139.8 148.0 -8.5 -27.7 3.0 14 15 A E - 0 0 101 3,-2.1 5,-0.1 -2,-0.3 -2,-0.0 -0.377 53.0 -90.6 -89.1-176.5 -11.6 -29.8 2.4 15 16 A E S S+ 0 0 148 1,-0.2 3,-0.1 -2,-0.2 -5,-0.0 0.826 122.1 20.8 -74.0 -28.5 -12.3 -32.6 4.9 16 17 A N S S+ 0 0 70 2,-0.0 2,-0.3 1,-0.0 -1,-0.2 0.445 128.9 26.6-118.6 -2.9 -10.4 -35.3 3.1 17 18 A T S S- 0 0 76 34,-0.0 -3,-2.1 35,-0.0 2,-0.3 -0.899 81.4 -95.1-144.7 173.6 -8.1 -33.4 0.8 18 19 A L B -H 13 0B 9 -2,-0.3 2,-1.2 -5,-0.2 -5,-0.3 -0.723 40.2-118.8 -86.2 146.6 -6.2 -30.1 0.4 19 20 A S > + 0 0 6 -7,-2.5 4,-2.7 -2,-0.3 5,-0.2 -0.723 33.4 176.8 -89.9 93.3 -8.0 -27.4 -1.7 20 21 A F H > S+ 0 0 84 -2,-1.2 4,-3.3 1,-0.2 5,-0.2 0.888 80.5 57.9 -63.5 -38.5 -5.6 -26.8 -4.6 21 22 A E H > S+ 0 0 146 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.927 113.3 38.8 -52.6 -48.8 -8.1 -24.4 -6.1 22 23 A R H > S+ 0 0 31 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.858 115.8 51.5 -76.1 -33.0 -8.0 -22.2 -2.9 23 24 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.927 110.4 49.7 -66.5 -45.8 -4.2 -22.7 -2.4 24 25 A K H X S+ 0 0 118 -4,-3.3 4,-2.1 2,-0.2 -2,-0.2 0.902 112.6 47.3 -54.9 -47.5 -3.5 -21.6 -6.0 25 26 A N H X S+ 0 0 79 -4,-1.7 4,-1.8 -5,-0.2 -2,-0.2 0.892 113.0 48.9 -63.8 -40.3 -5.7 -18.5 -5.5 26 27 A L H X S+ 0 0 3 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.914 110.7 49.6 -64.2 -44.8 -4.1 -17.7 -2.2 27 28 A V H X S+ 0 0 2 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.887 109.5 50.7 -67.1 -39.7 -0.6 -18.1 -3.6 28 29 A A H X S+ 0 0 37 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.906 112.0 49.4 -60.5 -41.1 -1.4 -15.8 -6.6 29 30 A F H X S+ 0 0 2 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.930 110.5 49.3 -62.7 -46.2 -2.7 -13.3 -4.1 30 31 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.863 106.4 56.3 -61.7 -39.1 0.5 -13.5 -1.9 31 32 A A H X S+ 0 0 4 -4,-2.3 4,-0.6 2,-0.2 -1,-0.2 0.907 111.3 43.9 -59.2 -41.9 2.7 -13.1 -5.0 32 33 A K H >X S+ 0 0 123 -4,-1.6 3,-1.0 1,-0.2 4,-0.8 0.912 111.4 52.8 -69.4 -44.3 0.9 -9.8 -5.7 33 34 A L H >X S+ 0 0 0 -4,-2.6 4,-3.3 1,-0.2 3,-1.0 0.873 102.1 61.4 -55.9 -38.6 1.0 -8.7 -2.1 34 35 A X H 3< S+ 0 0 37 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.703 98.3 56.4 -66.0 -21.8 4.7 -9.3 -2.1 35 36 A E H << S+ 0 0 145 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.753 120.0 30.4 -76.2 -26.4 5.2 -6.6 -4.8 36 37 A K H << S+ 0 0 94 -3,-1.0 2,-0.3 -4,-0.8 -2,-0.2 0.732 126.9 21.0-103.6 -32.9 3.5 -4.0 -2.6 37 38 A Y S < S- 0 0 18 -4,-3.3 2,-0.5 -5,-0.1 -35,-0.2 -0.857 77.7-102.1-129.2 166.3 4.3 -5.2 1.0 38 39 A E E -a 2 0A 82 -37,-2.2 -35,-3.1 -2,-0.3 2,-0.4 -0.832 52.5-156.1 -80.9 129.2 6.7 -7.2 3.1 39 40 A V E -a 3 0A 7 -2,-0.5 2,-0.4 -37,-0.2 -35,-0.2 -0.942 24.2-174.6-124.9 130.5 4.7 -10.4 3.7 40 41 A I E -a 4 0A 0 -37,-2.2 -35,-3.1 -2,-0.4 2,-0.4 -0.989 17.4-151.4-116.2 129.2 4.8 -13.1 6.4 41 42 A L E -ac 5 124A 0 82,-2.5 84,-3.1 -2,-0.4 2,-0.5 -0.868 8.1-166.4-101.0 131.9 2.4 -16.1 5.9 42 43 A V E -ac 6 125A 0 -37,-3.1 -35,-2.5 -2,-0.4 2,-0.3 -0.988 20.8-172.2-112.6 117.3 1.1 -18.0 8.9 43 44 A T E -a 7 0A 0 82,-2.8 84,-0.3 -2,-0.5 2,-0.2 -0.824 16.7-175.1-112.6 148.7 -0.4 -21.3 7.7 44 45 A S + 0 0 14 -37,-1.0 -36,-0.1 -2,-0.3 97,-0.0 -0.378 51.3 87.5-111.2-160.0 -2.4 -24.0 9.2 45 46 A A > + 0 0 1 -2,-0.2 4,-2.2 3,-0.0 5,-0.1 0.562 43.8 126.4 82.0 11.7 -3.6 -27.3 7.6 46 47 A A H > S+ 0 0 4 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.865 78.0 52.9 -61.7 -36.3 -0.5 -29.4 8.4 47 48 A I H > S+ 0 0 26 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.928 108.2 48.1 -66.7 -45.6 -2.9 -31.9 9.9 48 49 A S H > S+ 0 0 9 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.932 112.7 50.1 -56.9 -48.1 -5.1 -32.1 6.8 49 50 A A H X S+ 0 0 0 -4,-2.2 4,-0.5 1,-0.2 3,-0.5 0.919 111.3 47.2 -59.2 -48.0 -2.0 -32.6 4.7 50 51 A G H >X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 3,-1.4 0.864 104.9 61.0 -60.5 -36.5 -0.7 -35.4 7.0 51 52 A H H 3< S+ 0 0 21 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.829 95.6 61.0 -63.4 -31.8 -4.1 -37.0 6.9 52 53 A T H 3< S+ 0 0 62 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.743 112.7 39.1 -62.1 -23.4 -3.8 -37.4 3.1 53 54 A K H << S+ 0 0 93 -3,-1.4 2,-0.3 -4,-0.5 -2,-0.2 0.688 128.5 27.6 -97.5 -27.6 -0.7 -39.5 3.8 54 55 A L < - 0 0 9 -4,-1.9 2,-1.6 2,-0.1 -1,-0.3 -0.902 69.1-148.1-144.8 114.2 -2.0 -41.4 6.9 55 56 A D + 0 0 99 -2,-0.3 2,-0.3 -3,-0.2 486,-0.1 -0.597 47.1 133.3 -85.8 78.6 -5.7 -42.1 7.5 56 57 A I - 0 0 0 -2,-1.6 793,-0.2 7,-0.1 792,-0.1 -0.933 63.5 -86.0-123.0 153.8 -6.0 -42.1 11.3 57 58 A D - 0 0 48 791,-1.0 3,-0.1 -2,-0.3 792,-0.1 -0.215 26.1-149.2 -62.9 146.6 -8.6 -40.3 13.3 58 59 A R S S+ 0 0 64 1,-0.1 6,-0.1 5,-0.1 -1,-0.1 0.445 76.9 86.1 -95.4 -3.4 -8.1 -36.6 14.2 59 60 A K S S+ 0 0 93 788,-0.1 2,-0.2 4,-0.1 -1,-0.1 0.915 72.9 77.1 -68.2 -46.2 -10.0 -36.5 17.5 60 61 A N S > S- 0 0 63 787,-0.4 4,-1.6 -3,-0.1 3,-0.0 -0.498 77.8-140.0 -68.0 131.1 -7.1 -37.6 19.7 61 62 A L H > S+ 0 0 47 -2,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.855 101.7 52.3 -59.0 -44.4 -4.6 -34.8 20.3 62 63 A I H > S+ 0 0 45 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.869 106.8 54.6 -66.5 -34.8 -1.5 -37.0 20.0 63 64 A N H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.881 106.1 53.1 -58.2 -41.9 -2.9 -38.2 16.6 64 65 A K H X S+ 0 0 46 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.918 106.8 51.2 -62.5 -44.4 -3.0 -34.6 15.6 65 66 A Q H X S+ 0 0 3 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.884 111.5 47.8 -55.9 -43.6 0.6 -34.1 16.5 66 67 A V H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.929 112.0 48.6 -64.7 -46.1 1.7 -37.1 14.4 67 68 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.888 111.2 51.2 -62.4 -38.8 -0.4 -36.0 11.5 68 69 A A H X S+ 0 0 4 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.886 107.1 53.9 -63.5 -39.4 1.2 -32.5 11.7 69 70 A A H < S+ 0 0 8 -4,-2.0 266,-2.6 1,-0.2 -2,-0.2 0.883 116.5 37.8 -64.3 -39.1 4.7 -34.0 11.8 70 71 A I H X S+ 0 0 4 -4,-1.9 4,-0.7 264,-0.3 -1,-0.2 0.848 121.9 44.6 -74.9 -38.4 4.0 -35.9 8.6 71 72 A G H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.2 5,-0.2 0.818 95.8 71.6 -83.0 -34.6 1.9 -33.1 7.0 72 73 A Q H X S+ 0 0 7 -4,-2.8 4,-2.2 1,-0.2 5,-0.2 0.930 101.2 42.3 -52.9 -57.4 4.0 -30.0 7.7 73 74 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.895 115.8 50.7 -61.7 -35.3 6.9 -30.6 5.3 74 75 A F H X S+ 0 0 50 -4,-0.7 4,-2.2 2,-0.2 -2,-0.2 0.898 107.8 52.9 -64.6 -41.1 4.5 -31.8 2.6 75 76 A L H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.907 109.1 49.9 -59.6 -41.5 2.4 -28.7 3.0 76 77 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.925 107.5 53.7 -64.1 -43.3 5.5 -26.5 2.5 77 78 A S H X S+ 0 0 40 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.891 108.3 51.1 -59.0 -39.4 6.4 -28.5 -0.6 78 79 A V H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.916 109.8 48.5 -63.0 -44.7 2.9 -27.7 -2.0 79 80 A Y H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.911 111.8 51.6 -60.5 -40.6 3.4 -24.0 -1.3 80 81 A N H X S+ 0 0 37 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.872 107.2 50.1 -67.5 -38.0 6.8 -24.1 -3.0 81 82 A E H < S+ 0 0 125 -4,-2.2 4,-0.5 2,-0.2 -1,-0.2 0.898 115.0 45.4 -66.3 -35.8 5.5 -25.8 -6.2 82 83 A L H >< S+ 0 0 22 -4,-1.8 3,-0.8 1,-0.2 4,-0.2 0.861 112.0 50.7 -73.2 -37.8 2.8 -23.1 -6.4 83 84 A L H ><>S+ 0 0 0 -4,-2.4 3,-2.1 1,-0.2 5,-1.9 0.780 94.8 73.2 -68.0 -30.6 5.2 -20.3 -5.6 84 85 A A G ><5S+ 0 0 56 -4,-1.7 3,-1.6 1,-0.3 -1,-0.2 0.784 84.2 68.4 -54.3 -29.8 7.5 -21.5 -8.3 85 86 A K G < 5S+ 0 0 160 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.775 108.0 36.9 -57.8 -28.9 4.9 -20.2 -10.8 86 87 A F G < 5S- 0 0 61 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.090 119.6-107.8-111.7 18.0 5.9 -16.7 -9.7 87 88 A N T < 5S+ 0 0 156 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.857 76.6 134.8 57.0 40.0 9.6 -17.5 -9.3 88 89 A K < - 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