==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-OCT-11 3U6U . COMPND 2 MOLECULE: PUTATIVE ACETYLGLUTAMATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR P.KARTHE,T.S.KUMAREVEL,S.KURAMITSU,S.YOKOYAMA,RIKEN STRUCTUR . 514 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20780.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 394 76.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.8 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-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 . 49 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 151 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 4.5 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 1 1 2 0 0 2 2 1 5 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 8 0 2 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 . 4 5 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 . 3 2 2 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 41 0, 0.0 167,-2.0 0, 0.0 168,-0.9 0.000 360.0 360.0 360.0 136.7 17.8 69.6 6.2 2 2 A I E -ab 31 169A 5 28,-1.3 30,-1.9 165,-0.2 2,-0.5 -0.996 360.0-154.4-129.4 126.5 21.0 71.2 5.2 3 3 A V E -ab 32 170A 0 166,-1.9 168,-3.0 -2,-0.4 2,-0.5 -0.890 10.1-166.0-103.4 128.0 23.1 73.2 7.6 4 4 A V E -ab 33 171A 0 28,-2.8 30,-2.7 -2,-0.5 2,-0.6 -0.964 4.7-162.5-118.9 121.9 25.4 75.9 6.0 5 5 A K E -ab 34 172A 13 166,-3.7 168,-2.9 -2,-0.5 2,-0.6 -0.903 8.3-153.5-103.9 120.3 28.2 77.6 8.0 6 6 A V E - b 0 173A 0 28,-3.3 30,-0.3 -2,-0.6 168,-0.1 -0.841 20.7-130.2 -94.8 121.4 29.5 80.8 6.5 7 7 A G - 0 0 10 166,-2.4 29,-0.4 -2,-0.6 167,-0.1 -0.168 1.0-137.6 -67.4 163.8 33.1 81.4 7.5 8 8 A G + 0 0 13 27,-0.1 31,-1.8 29,-0.1 32,-0.4 0.288 62.3 118.9-105.4 8.3 34.3 84.7 8.9 9 9 A A S > S- 0 0 34 29,-0.1 3,-1.1 1,-0.1 27,-0.1 -0.443 77.4 -85.7 -74.8 149.4 37.6 84.8 7.0 10 10 A E T 3 S+ 0 0 141 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 -0.144 108.5 40.8 -53.1 143.4 38.2 87.8 4.7 11 11 A G T 3 + 0 0 48 1,-0.3 -1,-0.2 -3,-0.1 163,-0.1 0.266 67.1 151.3 103.5 -13.8 36.8 87.3 1.2 12 12 A I < - 0 0 18 -3,-1.1 2,-1.1 1,-0.1 -1,-0.3 -0.276 43.3-137.1 -54.7 135.1 33.5 85.7 1.7 13 13 A N > + 0 0 54 220,-3.1 4,-2.3 1,-0.2 3,-0.2 -0.710 25.9 177.7 -97.7 82.8 31.1 86.6 -1.1 14 14 A Y H > S+ 0 0 14 -2,-1.1 4,-3.1 1,-0.2 5,-0.2 0.852 77.7 56.3 -54.2 -39.8 27.9 87.2 0.9 15 15 A E H > S+ 0 0 111 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.947 110.0 45.0 -58.9 -48.7 25.9 88.2 -2.2 16 16 A A H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 221,-0.3 0.886 113.9 50.0 -63.3 -39.7 26.7 84.9 -3.8 17 17 A V H X S+ 0 0 0 -4,-2.3 4,-2.9 216,-0.2 5,-0.3 0.950 112.9 46.0 -63.6 -48.7 25.9 83.0 -0.6 18 18 A A H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 5,-0.3 0.932 112.1 51.5 -59.2 -47.6 22.6 84.8 -0.2 19 19 A K H X S+ 0 0 96 -4,-2.8 4,-2.0 -5,-0.2 -1,-0.2 0.927 115.2 41.3 -56.7 -47.7 21.6 84.3 -3.8 20 20 A D H X S+ 0 0 2 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.909 114.8 50.0 -70.0 -42.7 22.3 80.6 -3.7 21 21 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 -5,-0.2 -2,-0.2 0.918 112.4 48.6 -61.9 -42.4 20.7 80.0 -0.3 22 22 A A H X S+ 0 0 0 -4,-2.8 4,-2.9 -5,-0.3 -1,-0.2 0.907 109.2 52.6 -63.9 -42.5 17.6 81.8 -1.4 23 23 A S H X S+ 0 0 44 -4,-2.0 4,-0.9 -5,-0.3 -1,-0.2 0.922 113.2 43.7 -59.7 -45.3 17.4 79.8 -4.6 24 24 A L H X>S+ 0 0 8 -4,-2.2 5,-2.0 1,-0.2 4,-0.6 0.908 113.0 52.4 -66.5 -42.2 17.6 76.6 -2.7 25 25 A W H ><5S+ 0 0 64 -4,-2.6 3,-1.2 1,-0.2 -2,-0.2 0.903 107.0 52.1 -61.2 -43.1 15.1 77.9 -0.0 26 26 A K H 3<5S+ 0 0 121 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.748 103.4 59.6 -66.6 -22.5 12.6 78.8 -2.7 27 27 A E H 3<5S- 0 0 124 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.649 125.4-100.9 -78.9 -16.5 12.8 75.3 -4.1 28 28 A G T <<5S+ 0 0 60 -3,-1.2 2,-0.5 -4,-0.6 -3,-0.2 0.470 70.9 149.2 109.6 4.8 11.7 73.9 -0.8 29 29 A V < - 0 0 38 -5,-2.0 -1,-0.3 1,-0.1 2,-0.2 -0.615 48.8-125.8 -75.4 120.6 15.1 72.8 0.5 30 30 A K + 0 0 107 -2,-0.5 -28,-1.3 105,-0.0 2,-0.3 -0.487 40.5 179.1 -66.1 132.8 15.1 73.0 4.3 31 31 A L E -a 2 0A 2 -2,-0.2 2,-0.4 -30,-0.2 -28,-0.2 -0.987 28.5-169.1-144.3 148.0 18.0 75.1 5.4 32 32 A L E -a 3 0A 0 -30,-1.9 -28,-2.8 -2,-0.3 2,-0.4 -0.994 17.3-157.6-133.8 124.3 19.7 76.5 8.5 33 33 A L E -ac 4 137A 0 103,-2.3 105,-3.6 -2,-0.4 2,-0.4 -0.887 10.9-178.7-108.7 137.4 22.4 79.2 8.1 34 34 A V E +ac 5 138A 0 -30,-2.7 -28,-3.3 -2,-0.4 2,-0.2 -0.992 12.4 178.8-129.0 135.0 25.1 79.9 10.6 35 35 A H - 0 0 1 103,-2.3 -28,-0.1 -2,-0.4 -27,-0.1 -0.702 11.7-158.0-129.0-176.4 27.6 82.7 10.0 36 36 A G - 0 0 4 -29,-0.4 -29,-0.1 -30,-0.3 44,-0.1 -0.302 12.3-158.3-134.6-141.0 30.6 84.3 11.7 37 37 A G > + 0 0 1 -2,-0.1 4,-1.9 43,-0.1 5,-0.2 0.384 39.0 135.5 159.0 28.2 32.5 87.6 11.5 38 38 A S H > S+ 0 0 44 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.952 78.0 46.9 -60.8 -52.7 36.0 87.1 13.0 39 39 A A H > S+ 0 0 22 -31,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.935 116.3 43.9 -56.6 -49.8 37.9 89.0 10.3 40 40 A E H > S+ 0 0 52 -32,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.818 111.5 55.5 -67.2 -29.3 35.5 92.0 10.3 41 41 A T H X S+ 0 0 1 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.920 104.7 52.3 -68.5 -43.1 35.5 92.0 14.1 42 42 A N H X S+ 0 0 42 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.908 110.4 49.4 -58.5 -42.2 39.3 92.3 14.3 43 43 A K H X S+ 0 0 138 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.922 113.0 44.4 -64.1 -47.0 39.2 95.3 12.0 44 44 A V H X S+ 0 0 21 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.902 112.5 52.4 -65.2 -41.2 36.4 97.1 13.9 45 45 A A H <>S+ 0 0 5 -4,-2.8 5,-2.7 2,-0.2 -1,-0.2 0.911 110.6 49.3 -59.6 -42.1 38.1 96.3 17.2 46 46 A E H ><5S+ 0 0 109 -4,-2.1 3,-2.0 -5,-0.2 -2,-0.2 0.964 110.9 48.5 -60.1 -54.2 41.3 97.8 15.8 47 47 A A H 3<5S+ 0 0 61 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.732 108.7 55.3 -59.9 -24.9 39.5 100.9 14.6 48 48 A L T 3<5S- 0 0 33 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.400 119.7-107.8 -90.7 3.0 37.9 101.3 18.0 49 49 A G T < 5S+ 0 0 53 -3,-2.0 -3,-0.2 -4,-0.2 -2,-0.1 0.859 90.5 109.3 75.4 35.6 41.3 101.3 19.8 50 50 A H < - 0 0 73 -5,-2.7 -4,-0.1 -6,-0.1 -3,-0.1 -0.468 57.6-155.2-142.6 66.4 40.9 97.9 21.3 51 51 A P - 0 0 74 0, 0.0 -8,-0.1 0, 0.0 -9,-0.1 -0.025 25.6-104.2 -43.7 134.3 43.3 95.5 19.4 52 52 A P - 0 0 30 0, 0.0 2,-0.4 0, 0.0 12,-0.1 -0.191 31.4-154.2 -61.9 154.4 42.4 91.8 19.5 53 53 A R - 0 0 173 10,-0.3 10,-3.7 2,-0.0 2,-0.4 -0.995 8.8-170.8-132.6 128.8 44.2 89.5 21.7 54 54 A F E -H 62 0B 102 -2,-0.4 2,-0.5 8,-0.2 8,-0.2 -0.888 9.5-151.1-121.7 149.1 44.6 85.9 21.1 55 55 A L E -H 61 0B 82 6,-1.9 6,-1.5 -2,-0.4 2,-0.6 -0.967 16.0-129.5-117.2 141.1 45.9 83.5 23.4 56 56 A T - 0 0 94 -2,-0.5 -2,-0.0 4,-0.2 0, 0.0 -0.798 19.4-161.5 -96.0 121.7 47.7 80.4 22.3 57 57 A H 0 0 111 -2,-0.6 4,-0.0 1,-0.1 -1,-0.0 -0.270 360.0 360.0 -87.9 176.0 46.5 77.1 23.8 58 58 A P 0 0 180 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.551 360.0 360.0 -87.3 360.0 48.7 74.1 23.6 59 ! 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 60 62 A V 0 0 91 0, 0.0 2,-0.3 0, 0.0 -4,-0.2 0.000 360.0 360.0 360.0 166.1 44.1 80.1 19.0 61 63 A S E -H 55 0B 21 -6,-1.5 -6,-1.9 -4,-0.0 2,-0.2 -0.984 360.0-108.6-150.7 137.1 41.2 81.9 20.7 62 64 A R E -H 54 0B 19 -2,-0.3 2,-0.9 -8,-0.2 -8,-0.2 -0.447 32.1-125.2 -65.6 125.2 40.1 85.5 21.1 63 65 A L - 0 0 45 -10,-3.7 2,-0.8 -2,-0.2 -10,-0.3 -0.642 34.0-157.8 -72.5 110.4 40.6 86.8 24.6 64 66 A T + 0 0 0 -2,-0.9 50,-3.2 4,-0.1 2,-0.1 -0.756 22.7 163.6-104.8 95.5 37.1 87.9 25.3 65 67 A D > - 0 0 72 -2,-0.8 4,-2.5 48,-0.2 5,-0.2 -0.447 57.2 -87.4 -93.8 175.0 36.6 90.6 28.0 66 68 A R H > S+ 0 0 182 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.907 127.8 47.5 -49.2 -52.6 33.3 92.6 28.3 67 69 A K H > S+ 0 0 62 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.909 112.3 49.8 -58.4 -43.5 34.4 95.3 25.9 68 70 A T H > S+ 0 0 18 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.886 108.0 54.1 -63.0 -38.5 35.5 92.8 23.3 69 71 A L H X S+ 0 0 11 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.867 106.3 52.9 -63.8 -35.8 32.2 90.9 23.6 70 72 A E H X S+ 0 0 87 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.899 111.4 44.7 -66.0 -41.7 30.4 94.2 22.9 71 73 A I H X S+ 0 0 10 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.896 111.2 55.0 -68.1 -39.2 32.4 94.7 19.7 72 74 A F H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 5,-0.5 0.921 110.6 45.3 -57.5 -47.4 31.9 91.0 18.9 73 75 A E H X>S+ 0 0 7 -4,-2.5 5,-1.3 2,-0.2 4,-1.3 0.924 108.4 56.4 -65.2 -44.3 28.1 91.6 19.2 74 76 A M H <>S+ 0 0 8 -4,-2.5 5,-2.3 258,-0.2 4,-0.5 0.925 119.3 31.6 -52.4 -47.3 28.2 94.8 17.2 75 77 A V H <>S+ 0 0 0 -4,-2.3 5,-3.2 3,-0.2 6,-0.4 0.942 127.1 36.3 -79.8 -52.0 29.8 93.0 14.2 76 78 A Y H <>S+ 0 0 24 -4,-3.0 5,-1.5 -5,-0.2 -3,-0.2 0.969 130.3 29.8 -66.0 -54.8 28.4 89.4 14.4 77 79 A C T <5S+ 0 0 1 -4,-1.3 -3,-0.2 -5,-0.5 -1,-0.2 0.747 134.9 26.0 -79.1 -28.4 24.9 90.3 15.6 78 80 A G T >S+ 0 0 0 -4,-2.4 5,-2.7 2,-0.2 3,-0.3 0.921 110.2 50.7 -67.3 -43.5 18.3 87.2 1.6 89 91 A Q H ><5S+ 0 0 6 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.901 107.9 54.0 -60.6 -39.8 15.2 89.3 1.7 90 92 A K H 3<5S+ 0 0 85 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.834 107.2 51.9 -62.9 -31.3 16.3 91.0 -1.5 91 93 A E T 3<5S- 0 0 56 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.413 126.0-102.6 -84.6 -0.1 16.6 87.6 -3.1 92 94 A G T < 5S+ 0 0 48 -3,-1.6 2,-0.5 1,-0.3 -3,-0.2 0.619 80.9 127.6 90.9 11.9 13.0 86.7 -2.0 93 95 A A < - 0 0 0 -5,-2.7 2,-2.1 -6,-0.1 -1,-0.3 -0.905 60.8-130.7-105.7 128.8 13.9 84.5 1.0 94 96 A N - 0 0 35 -2,-0.5 41,-2.3 39,-0.3 2,-0.1 -0.453 37.8-177.3 -79.6 74.1 12.1 85.3 4.3 95 97 A A E -d 135 0A 0 -2,-2.1 262,-3.0 -10,-0.3 2,-0.4 -0.412 15.7-166.0 -75.1 144.5 15.2 85.3 6.5 96 98 A I E -d 136 0A 0 39,-2.3 41,-2.6 260,-0.3 2,-0.4 -0.990 13.2-146.6-131.3 120.2 15.1 85.8 10.3 97 99 A G E +d 137 0A 0 -2,-0.4 2,-0.3 39,-0.2 41,-0.2 -0.751 22.3 170.7 -93.8 134.4 18.3 86.5 12.1 98 100 A L E -d 138 0A 0 39,-2.1 41,-1.5 -2,-0.4 2,-0.2 -0.995 22.0-148.3-141.6 146.8 19.0 85.4 15.6 99 101 A S E > -d 139 0A 1 -2,-0.3 3,-0.8 39,-0.2 6,-0.4 -0.593 41.4-100.4-102.7 170.3 21.9 85.2 18.0 100 102 A G T 3 S+ 0 0 0 41,-1.4 6,-2.2 39,-1.2 43,-0.3 0.714 120.6 62.0 -64.5 -19.7 22.2 82.5 20.7 101 103 A L T > S+ 0 0 0 40,-0.4 3,-1.7 3,-0.2 2,-0.3 0.820 81.9 95.7 -73.3 -33.4 20.9 84.9 23.3 102 104 A D G X S- 0 0 0 -3,-0.8 3,-1.6 1,-0.3 248,-0.3 -0.445 111.0 -14.5 -67.7 120.5 17.6 85.3 21.6 103 105 A G G 3 S- 0 0 0 246,-3.1 -1,-0.3 -2,-0.3 247,-0.1 0.739 117.7 -76.1 58.7 22.1 14.9 83.0 23.0 104 106 A R G < S+ 0 0 96 -3,-1.7 -1,-0.3 245,-0.4 -3,-0.2 0.897 80.5 165.2 54.8 41.8 17.9 81.2 24.6 105 107 A L < + 0 0 0 -3,-1.6 17,-2.3 -6,-0.4 2,-0.5 0.886 65.3 27.7 -55.0 -46.0 18.6 79.7 21.2 106 108 A F E S+I 121 0C 0 -6,-2.2 37,-3.0 15,-0.2 2,-0.4 -0.976 72.9 176.3-125.4 119.7 22.1 78.5 22.2 107 109 A V E +Ij 120 143C 17 13,-2.6 12,-2.8 -2,-0.5 13,-2.6 -0.962 13.7 136.4-124.8 139.5 23.0 77.7 25.8 108 110 A G E - 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U 0 498F 0 -18,-2.5 -18,-2.5 -2,-0.3 2,-0.5 -0.848 57.9-165.6 -99.3 124.2 3.1 113.0 31.0 517 267 C V E -tU 459 497F 20 -59,-2.2 -57,-2.5 -2,-0.5 2,-0.5 -0.938 2.2-163.9-113.9 121.4 -0.2 111.1 30.4 518 268 C V E tU 460 496F 0 -22,-3.2 -22,-2.1 -2,-0.5 -59,-0.0 -0.909 360.0 360.0-105.8 128.6 -2.1 111.6 27.1 519 269 C R 0 0 143 -59,-1.6 -1,-0.1 -2,-0.5 -22,-0.0 0.497 360.0 360.0-144.0 360.0 -5.7 110.4 27.1