==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-JAN-10 3LKK . COMPND 2 MOLECULE: GAMMA-GLUTAMYL KINASE RELATED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOPLASMA ACIDOPHILUM; . AUTHOR M.F.MABANGLO,C.P.HILL . 470 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20588.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 344 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 8.5 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 32 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 137 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 2 0 0 2 2 0 2 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 0 6 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 . 6 2 2 0 2 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 . 0 2 0 0 0 0 2 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 1 A M 0 0 73 0, 0.0 157,-1.8 0, 0.0 156,-1.4 0.000 360.0 360.0 360.0 137.8 5.0 2.4 -38.6 2 2 A M E -ab 38 158A 15 35,-2.5 37,-2.6 155,-0.2 38,-0.9 -0.946 360.0-165.6-119.6 140.6 2.0 0.1 -38.0 3 3 A I E -ab 40 159A 1 155,-2.0 157,-2.1 -2,-0.4 2,-0.4 -0.958 16.9-169.3-117.1 148.4 0.8 -1.6 -34.9 4 4 A L E -ab 41 160A 0 36,-2.1 38,-2.6 -2,-0.4 2,-0.5 -0.994 15.6-156.5-144.0 135.9 -1.7 -4.4 -35.2 5 5 A K E -ab 42 161A 16 155,-3.1 157,-2.5 -2,-0.4 2,-0.6 -0.927 8.7-151.7-110.9 131.2 -3.9 -6.4 -33.0 6 6 A I E -ab 43 162A 2 36,-2.9 38,-2.1 -2,-0.5 157,-0.1 -0.906 26.2-133.1 -92.8 111.5 -5.4 -9.9 -33.9 7 7 A G >> - 0 0 5 155,-2.2 4,-1.5 -2,-0.6 3,-1.2 -0.272 7.3-132.7 -63.8 144.0 -8.7 -10.3 -32.1 8 8 A G H 3> S+ 0 0 4 1,-0.2 4,-1.1 2,-0.2 39,-0.3 0.707 104.8 70.3 -66.3 -20.3 -9.4 -13.6 -30.3 9 9 A S H 34 S+ 0 0 20 153,-0.2 -1,-0.2 1,-0.2 5,-0.2 0.777 106.3 38.4 -67.5 -24.9 -12.8 -13.6 -31.9 10 10 A V H <4 S+ 0 0 0 -3,-1.2 -2,-0.2 152,-0.3 -1,-0.2 0.793 120.9 39.1 -97.3 -29.6 -11.0 -14.3 -35.3 11 11 A I H < S+ 0 0 0 -4,-1.5 10,-2.6 13,-0.1 2,-0.3 0.429 118.8 43.3-102.9 -0.4 -8.2 -16.7 -34.3 12 12 A T B < S-H 20 0B 0 -4,-1.1 2,-0.8 8,-0.3 8,-0.3 -0.960 81.8-116.5-131.9 163.0 -10.2 -18.7 -31.7 13 13 A D > - 0 0 45 6,-2.9 3,-1.7 -2,-0.3 6,-0.4 -0.876 31.0-157.8 -90.6 107.4 -13.7 -20.2 -31.5 14 14 A K T 3 S+ 0 0 100 -2,-0.8 -1,-0.1 1,-0.3 4,-0.1 0.706 85.3 57.5 -63.5 -21.4 -14.9 -18.1 -28.5 15 15 A S T 3 S+ 0 0 104 1,-0.1 2,-0.5 2,-0.1 -1,-0.3 0.578 100.9 61.3 -86.3 -12.0 -17.6 -20.6 -27.6 16 16 A A S X S- 0 0 32 -3,-1.7 3,-1.4 3,-0.2 -3,-0.3 -0.948 90.2-110.4-130.4 119.8 -15.3 -23.6 -27.1 17 17 A Y T 3 S- 0 0 66 -2,-0.5 31,-0.2 1,-0.3 3,-0.1 -0.061 94.5 -8.5 -50.5 129.2 -12.4 -23.7 -24.5 18 18 A R T 3 S+ 0 0 113 29,-2.3 2,-0.7 1,-0.2 -1,-0.3 0.827 92.1 147.9 56.6 37.9 -8.9 -23.6 -25.9 19 19 A T < - 0 0 55 -3,-1.4 -6,-2.9 -6,-0.4 28,-0.3 -0.908 27.9-164.7-113.3 110.7 -10.2 -24.0 -29.5 20 20 A A B -H 12 0B 27 -2,-0.7 2,-0.7 -8,-0.3 -8,-0.3 -0.483 23.0-136.9 -86.7 158.8 -8.0 -22.2 -32.1 21 21 A R > - 0 0 64 -10,-2.6 4,-2.2 1,-0.2 3,-0.4 -0.832 27.7-179.3-112.8 85.4 -8.9 -21.3 -35.8 22 22 A T H > S+ 0 0 75 -2,-0.7 4,-2.5 1,-0.3 5,-0.2 0.835 75.7 55.6 -57.9 -41.0 -5.5 -22.4 -37.2 23 23 A Y H > S+ 0 0 156 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.879 108.3 50.2 -65.7 -34.7 -6.4 -21.5 -40.8 24 24 A A H > S+ 0 0 2 -3,-0.4 4,-2.4 2,-0.2 5,-0.3 0.931 109.4 50.7 -66.5 -46.2 -7.2 -17.9 -39.6 25 25 A I H X S+ 0 0 6 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.954 114.8 44.6 -49.3 -51.5 -3.9 -17.7 -37.7 26 26 A R H X S+ 0 0 140 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.922 114.7 45.7 -66.4 -41.9 -2.0 -18.8 -40.9 27 27 A S H X S+ 0 0 55 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.926 114.5 47.4 -75.4 -36.7 -3.8 -16.7 -43.4 28 28 A I H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.2 -1,-0.2 0.969 113.3 48.4 -60.0 -49.9 -3.6 -13.5 -41.2 29 29 A V H X S+ 0 0 1 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.886 103.8 60.4 -65.8 -33.8 0.1 -14.0 -40.5 30 30 A K H X S+ 0 0 142 -4,-2.2 4,-0.7 -5,-0.2 -1,-0.2 0.957 111.7 40.8 -55.3 -49.5 0.8 -14.6 -44.2 31 31 A V H >< S+ 0 0 40 -4,-1.7 3,-1.2 1,-0.2 4,-0.4 0.925 111.0 56.0 -63.5 -43.0 -0.5 -11.1 -44.8 32 32 A L H >< S+ 0 0 0 -4,-2.9 3,-1.7 1,-0.2 -2,-0.2 0.890 99.6 62.8 -58.1 -34.7 1.2 -9.6 -41.7 33 33 A S H 3< S+ 0 0 39 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.783 99.7 53.1 -65.8 -23.3 4.6 -10.9 -43.0 34 34 A G T << S+ 0 0 60 -3,-1.2 2,-0.9 -4,-0.7 -1,-0.3 0.491 82.6 100.1 -87.6 -3.6 4.3 -8.7 -46.1 35 35 A I X - 0 0 29 -3,-1.7 3,-1.3 -4,-0.4 -33,-0.1 -0.698 57.1-165.1 -85.9 109.3 3.7 -5.5 -44.2 36 36 A E T 3 S+ 0 0 198 -2,-0.9 -1,-0.2 1,-0.3 -4,-0.0 0.861 82.4 43.9 -67.8 -34.0 7.1 -3.8 -44.1 37 37 A D T 3 S+ 0 0 71 -36,-0.1 -35,-2.5 -34,-0.0 2,-0.7 0.220 75.8 130.2 -99.7 17.2 6.5 -1.2 -41.4 38 38 A L E < +a 2 0A 11 -3,-1.3 -35,-0.2 -37,-0.2 3,-0.1 -0.575 25.3 168.8 -72.4 109.0 4.7 -3.6 -39.0 39 39 A V E + 0 0 21 -37,-2.6 2,-0.3 -2,-0.7 -36,-0.2 0.708 57.8 20.0-101.8 -18.0 6.5 -2.9 -35.7 40 40 A C E -a 3 0A 0 -38,-0.9 -36,-2.1 83,-0.2 2,-0.4 -0.984 57.4-159.6-153.9 136.3 4.4 -4.7 -33.0 41 41 A V E -ac 4 125A 0 83,-2.3 85,-2.3 -2,-0.3 2,-0.4 -0.970 11.2-176.3-120.7 128.3 1.7 -7.4 -33.0 42 42 A V E -ac 5 126A 0 -38,-2.6 -36,-2.9 -2,-0.4 2,-0.3 -0.917 4.7-169.6-114.0 147.6 -0.9 -7.9 -30.2 43 43 A H E -ac 6 127A 0 83,-1.5 85,-1.6 -2,-0.4 -36,-0.2 -0.995 14.7-131.4-136.7 157.2 -3.5 -10.6 -29.9 44 44 A G - 0 0 6 -38,-2.1 -38,-0.0 -2,-0.3 98,-0.0 -0.083 16.0-129.9 -86.9-173.1 -6.5 -11.3 -27.8 45 45 A G > + 0 0 8 1,-0.1 3,-2.8 82,-0.1 4,-0.2 0.716 31.4 170.0-118.1 -28.4 -7.3 -14.6 -26.0 46 46 A G G >> S- 0 0 2 1,-0.3 4,-1.6 2,-0.2 3,-1.4 -0.167 82.1 -2.7 39.8-123.8 -10.9 -15.5 -26.8 47 47 A S G 34 S+ 0 0 0 -39,-0.3 -29,-2.3 1,-0.3 -1,-0.3 0.519 129.6 68.7 -76.3 -4.6 -11.5 -19.1 -25.6 48 48 A F G <4 S+ 0 0 5 -3,-2.8 -1,-0.3 -31,-0.2 -2,-0.2 0.416 122.9 6.0 -88.7 -17.7 -7.8 -19.4 -24.5 49 49 A G T <> S+ 0 0 8 -3,-1.4 4,-2.0 -4,-0.2 5,-0.3 0.273 119.5 64.7-121.3 -26.3 -8.2 -16.8 -21.6 50 50 A H H X S+ 0 0 96 -4,-1.6 4,-1.9 1,-0.2 5,-0.2 0.778 101.6 48.3 -75.0 -30.2 -11.9 -15.7 -21.2 51 51 A I H > S+ 0 0 53 -5,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.964 117.7 37.7 -71.2 -52.4 -13.4 -19.1 -20.1 52 52 A K H > S+ 0 0 40 -3,-0.3 4,-2.4 -5,-0.2 -2,-0.2 0.904 113.5 59.1 -64.8 -33.6 -10.9 -20.0 -17.4 53 53 A A H X>S+ 0 0 4 -4,-2.0 5,-2.5 1,-0.2 4,-0.9 0.956 110.6 41.2 -58.0 -52.0 -10.7 -16.4 -16.3 54 54 A M H ><5S+ 0 0 158 -4,-1.9 3,-0.5 -5,-0.3 -1,-0.2 0.899 114.7 52.5 -62.8 -39.5 -14.5 -16.3 -15.6 55 55 A E H 3<5S+ 0 0 110 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.854 116.4 37.9 -67.5 -33.8 -14.4 -19.7 -14.0 56 56 A F H 3<5S- 0 0 33 -4,-2.4 13,-0.2 -5,-0.2 -1,-0.2 0.382 117.2-102.1-105.0 5.7 -11.5 -18.9 -11.6 57 57 A G T <<5 - 0 0 37 -4,-0.9 -3,-0.2 -3,-0.5 -4,-0.1 0.863 54.9-173.6 81.2 38.8 -12.5 -15.3 -10.7 58 58 A L < + 0 0 9 -5,-2.5 -1,-0.3 -6,-0.2 2,-0.1 -0.955 65.7 32.8-116.2 133.4 -10.1 -13.3 -12.8 59 59 A P S S+ 0 0 87 0, 0.0 80,-0.2 0, 0.0 -1,-0.1 0.569 109.2 83.1 -71.2 156.0 -9.8 -10.4 -12.7 60 60 A G E S-I 138 0C 17 78,-1.9 78,-2.6 -2,-0.1 3,-0.1 -0.987 78.0 -29.1 170.2-177.5 -10.6 -10.2 -9.0 61 61 A P E -I 137 0C 94 0, 0.0 2,-0.4 0, 0.0 76,-0.3 -0.230 66.7-102.3 -56.2 147.2 -9.3 -10.5 -5.4 62 62 A K + 0 0 70 74,-2.1 -5,-0.0 4,-0.1 -4,-0.0 -0.572 58.6 141.7 -68.0 128.6 -6.5 -12.9 -4.7 63 63 A N > - 0 0 63 -2,-0.4 4,-2.4 -3,-0.1 5,-0.3 -0.926 66.9 -88.4-154.9 175.3 -7.6 -16.1 -3.2 64 64 A P H > S+ 0 0 111 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.856 125.5 50.7 -65.7 -27.8 -6.4 -19.7 -3.6 65 65 A R H > S+ 0 0 171 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.954 113.9 41.0 -68.0 -49.7 -8.9 -20.3 -6.5 66 66 A S H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.788 110.7 59.9 -69.5 -26.3 -7.9 -17.2 -8.5 67 67 A S H X S+ 0 0 1 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.903 109.6 41.4 -65.3 -47.5 -4.2 -17.8 -7.8 68 68 A I H X S+ 0 0 49 -4,-1.4 4,-2.0 -5,-0.3 -2,-0.2 0.892 113.4 54.6 -65.2 -39.1 -4.4 -21.3 -9.4 69 69 A G H X S+ 0 0 0 -4,-2.3 4,-3.3 -13,-0.2 5,-0.3 0.874 100.4 60.6 -61.1 -36.4 -6.5 -19.7 -12.2 70 70 A Y H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.943 105.8 46.6 -54.3 -48.2 -3.8 -17.2 -12.8 71 71 A S H X S+ 0 0 3 -4,-1.2 4,-2.3 1,-0.2 -1,-0.2 0.940 115.3 46.5 -61.1 -45.2 -1.3 -20.0 -13.6 72 72 A I H X S+ 0 0 21 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.905 112.4 48.1 -65.8 -44.9 -3.8 -21.7 -15.9 73 73 A V H X S+ 0 0 4 -4,-3.3 4,-2.5 1,-0.2 -1,-0.2 0.912 113.5 47.4 -65.7 -42.0 -4.9 -18.6 -17.8 74 74 A H H X S+ 0 0 2 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.921 113.3 48.1 -64.9 -44.9 -1.4 -17.5 -18.4 75 75 A R H X S+ 0 0 20 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.947 111.9 50.1 -60.7 -47.9 -0.3 -21.0 -19.6 76 76 A D H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.926 110.0 50.4 -56.4 -47.2 -3.4 -21.2 -21.9 77 77 A M H X S+ 0 0 3 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.872 107.4 53.8 -60.2 -40.5 -2.5 -17.8 -23.4 78 78 A E H X S+ 0 0 4 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.901 106.6 53.6 -57.7 -43.9 1.1 -18.9 -24.0 79 79 A N H X S+ 0 0 38 -4,-2.1 4,-0.9 2,-0.2 -2,-0.2 0.882 112.4 42.7 -57.4 -45.4 -0.3 -21.9 -25.9 80 80 A L H >X S+ 0 0 0 -4,-2.0 4,-1.3 1,-0.2 3,-1.1 0.955 113.3 53.1 -65.8 -45.3 -2.3 -19.7 -28.2 81 81 A D H >X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.3 3,-0.6 0.888 102.6 57.5 -57.6 -40.7 0.6 -17.3 -28.5 82 82 A L H 3X S+ 0 0 4 -4,-2.7 4,-2.7 1,-0.3 -1,-0.3 0.785 101.7 56.7 -65.5 -26.7 3.0 -20.0 -29.6 83 83 A M H S+ 0 0 0 -4,-2.6 5,-2.4 2,-0.2 -2,-0.2 0.917 110.2 48.0 -58.1 -43.6 5.3 -15.9 -38.0 89 89 A I H ><5S+ 0 0 21 -4,-2.7 3,-1.8 1,-0.2 -2,-0.2 0.929 108.1 56.4 -66.1 -35.0 8.5 -17.9 -37.9 90 90 A E H 3<5S+ 0 0 120 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.871 105.4 50.9 -62.9 -34.6 7.3 -19.9 -40.9 91 91 A M T 3<5S- 0 0 85 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.379 122.7-106.7 -85.6 6.4 6.9 -16.7 -42.9 92 92 A G T < 5S+ 0 0 50 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.636 71.6 145.4 78.5 13.2 10.4 -15.7 -42.1 93 93 A M < - 0 0 22 -5,-2.4 -1,-0.2 -6,-0.2 29,-0.1 -0.368 52.5-128.0 -69.2 169.1 9.4 -13.0 -39.6 94 94 A R + 0 0 51 27,-0.2 29,-2.1 -2,-0.1 -5,-0.1 -0.560 42.0 169.3-118.9 64.5 11.5 -12.3 -36.5 95 95 A P E -d 123 0A 1 0, 0.0 2,-0.3 0, 0.0 27,-0.0 -0.363 15.4-177.3 -79.5 157.7 8.9 -12.5 -33.8 96 96 A I E -d 124 0A 2 27,-1.5 29,-2.1 -2,-0.1 2,-0.2 -0.911 23.7-131.3-151.9 120.4 9.6 -12.5 -30.0 97 97 A S E -d 125 0A 3 -2,-0.3 29,-0.2 27,-0.2 -15,-0.0 -0.540 20.3-176.0 -77.4 140.0 6.9 -12.8 -27.5 98 98 A V - 0 0 0 27,-2.8 29,-0.2 -2,-0.2 2,-0.1 -0.820 18.1-151.9-130.8 89.7 7.0 -10.3 -24.6 99 99 A P > - 0 0 3 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.401 17.1-134.3 -66.3 138.9 4.2 -11.2 -22.2 100 100 A I G > S+ 0 0 1 27,-0.5 3,-1.4 1,-0.3 28,-0.1 0.830 105.3 68.7 -53.5 -33.0 2.7 -8.4 -20.1 101 101 A S G 3 S+ 0 0 6 1,-0.2 -1,-0.3 30,-0.1 31,-0.1 0.639 98.8 49.5 -67.4 -11.3 2.9 -10.9 -17.1 102 102 A A G < S+ 0 0 2 -3,-1.8 -1,-0.2 2,-0.1 2,-0.2 0.481 92.4 96.9-105.9 -1.3 6.8 -10.6 -17.3 103 103 A L S < S- 0 0 7 -3,-1.4 8,-0.1 -4,-0.3 236,-0.1 -0.570 82.5-102.7 -90.0 150.3 7.0 -6.7 -17.3 104 104 A R - 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