==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-MAY-12 4F04 . COMPND 2 MOLECULE: ASPARTATE CARBAMOYLTRANSFERASE CATALYTIC CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.W.PETERSON,G.M.COCKRELL,E.R.KANTROWITZ . 906 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38658.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 611 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 92 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 97 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 68 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 115 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 204 22.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 3 0 4 2 2 2 3 0 2 1 0 2 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 2 6 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 . 1 1 4 0 8 2 1 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 . 1 0 2 1 3 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 1 A A 0 0 103 0, 0.0 306,-0.2 0, 0.0 305,-0.1 0.000 360.0 360.0 360.0 147.7 37.1 46.6 -8.8 2 2 A N > - 0 0 6 304,-1.7 3,-1.8 303,-0.2 305,-0.0 -0.341 360.0-100.9 -67.8 157.6 35.7 43.5 -7.1 3 3 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 16,-0.1 0.757 121.9 44.0 -53.4 -27.0 33.4 44.2 -4.1 4 4 A L T > S+ 0 0 4 302,-0.1 3,-2.0 15,-0.1 2,-0.1 0.374 78.1 133.2-102.6 1.7 36.3 43.4 -1.7 5 5 A Y T < S- 0 0 67 -3,-1.8 298,-0.2 1,-0.3 299,-0.2 -0.357 87.4 -8.0 -58.5 124.3 39.2 45.2 -3.4 6 6 A Q T 3 S+ 0 0 71 297,-2.4 -1,-0.3 1,-0.2 2,-0.3 0.667 101.1 147.2 62.5 19.3 41.2 47.3 -0.8 7 7 A K < - 0 0 101 -3,-2.0 2,-0.3 295,-0.1 -1,-0.2 -0.609 52.0-120.8 -84.9 143.8 38.6 46.5 1.9 8 8 A H - 0 0 66 -2,-0.3 2,-0.5 115,-0.1 117,-0.2 -0.620 19.2-151.8 -71.3 141.5 39.3 46.1 5.6 9 9 A I B +a 125 0A 0 115,-2.7 117,-2.9 -2,-0.3 127,-0.1 -0.777 45.7 131.3-118.2 83.9 38.3 42.6 6.8 10 10 A I + 0 0 3 -2,-0.5 2,-0.4 1,-0.3 -1,-0.1 0.843 63.5 13.5-103.0 -46.6 37.5 43.2 10.5 11 11 A S > - 0 0 1 -3,-0.2 3,-1.9 1,-0.1 -1,-0.3 -0.999 53.6-136.4-142.6 136.4 34.2 41.7 11.4 12 12 A I G > S+ 0 0 0 -2,-0.4 3,-2.3 1,-0.3 -1,-0.1 0.851 106.4 70.0 -56.1 -33.3 31.7 39.3 9.9 13 13 A N G 3 S+ 0 0 69 1,-0.3 -1,-0.3 -3,-0.1 158,-0.0 0.741 96.8 51.8 -56.6 -23.3 29.0 41.8 11.0 14 14 A D G < S+ 0 0 86 -3,-1.9 2,-0.3 2,-0.1 -1,-0.3 0.462 98.6 82.5 -90.1 -6.4 30.4 44.2 8.3 15 15 A L < - 0 0 16 -3,-2.3 2,-0.2 -4,-0.3 -6,-0.0 -0.788 68.1-141.9-104.9 148.0 30.2 41.6 5.5 16 16 A S > - 0 0 50 -2,-0.3 4,-1.7 1,-0.1 3,-0.2 -0.485 32.6-104.3 -93.9 171.0 27.1 40.7 3.5 17 17 A R H > S+ 0 0 97 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.827 122.4 58.1 -62.3 -34.6 26.2 37.2 2.3 18 18 A D H > S+ 0 0 122 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.860 103.2 52.6 -65.6 -36.5 27.4 38.2 -1.2 19 19 A D H > S+ 0 0 27 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.950 109.7 48.7 -60.7 -48.5 30.8 39.0 0.2 20 20 A L H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.925 111.3 48.8 -58.8 -48.4 31.0 35.6 1.8 21 21 A N H X S+ 0 0 53 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.810 107.8 56.9 -61.3 -32.8 30.0 33.8 -1.4 22 22 A L H X S+ 0 0 28 -4,-1.6 4,-2.4 2,-0.2 5,-0.2 0.951 106.9 46.9 -65.0 -49.2 32.5 35.8 -3.3 23 23 A V H X S+ 0 0 1 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.958 113.5 49.7 -53.2 -53.0 35.4 34.6 -1.1 24 24 A L H X S+ 0 0 12 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.857 109.9 49.5 -56.3 -42.2 34.2 31.0 -1.4 25 25 A A H X S+ 0 0 48 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.909 112.3 48.0 -67.1 -42.6 33.9 31.1 -5.2 26 26 A T H X S+ 0 0 2 -4,-2.4 4,-2.3 2,-0.2 5,-0.3 0.886 108.1 56.3 -62.4 -38.2 37.4 32.5 -5.5 27 27 A A H X S+ 0 0 0 -4,-2.6 4,-1.8 -5,-0.2 -2,-0.2 0.934 106.8 49.0 -60.8 -46.7 38.6 29.8 -3.1 28 28 A A H X S+ 0 0 53 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.944 111.1 50.5 -54.5 -53.6 37.3 27.1 -5.4 29 29 A K H X S+ 0 0 87 -4,-2.1 4,-3.4 1,-0.2 -2,-0.2 0.913 112.0 44.0 -52.2 -54.2 38.9 28.7 -8.5 30 30 A L H < S+ 0 0 3 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.773 110.9 56.2 -68.1 -28.7 42.4 29.0 -7.1 31 31 A K H < S+ 0 0 94 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.930 116.7 35.9 -63.5 -44.9 42.2 25.5 -5.6 32 32 A A H < S+ 0 0 71 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.880 136.0 22.3 -73.1 -39.0 41.5 24.2 -9.1 33 33 A N S < S- 0 0 99 -4,-3.4 -1,-0.2 -5,-0.2 -2,-0.2 -0.728 81.2-153.6-137.0 83.6 43.8 26.7 -10.9 34 34 A P - 0 0 90 0, 0.0 -3,-0.1 0, 0.0 32,-0.1 -0.225 4.8-156.3 -59.3 142.8 46.5 28.2 -8.8 35 35 A Q > - 0 0 63 30,-0.1 3,-2.5 1,-0.1 4,-0.3 -0.732 12.6-178.1-121.3 79.8 47.9 31.6 -9.7 36 36 A P T 3 S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 0.488 81.4 40.1 -63.7 -7.1 51.4 31.4 -8.1 37 37 A E T > S+ 0 0 112 1,-0.1 3,-1.6 30,-0.1 29,-0.1 0.223 77.0 110.5-125.0 10.7 52.2 35.0 -9.3 38 38 A L T < S+ 0 0 30 -3,-2.5 29,-0.2 1,-0.3 28,-0.1 0.882 91.1 33.9 -54.2 -38.9 48.9 36.8 -8.7 39 39 A L T > S+ 0 0 0 27,-3.3 3,-1.9 -4,-0.3 -1,-0.3 0.082 82.8 146.8-108.7 25.0 50.4 38.7 -5.8 40 40 A K T < + 0 0 108 -3,-1.6 28,-0.2 26,-0.3 3,-0.1 -0.346 69.6 26.0 -59.9 139.8 54.0 39.2 -7.1 41 41 A H T 3 S+ 0 0 167 26,-0.5 2,-0.4 1,-0.3 -1,-0.3 0.432 95.6 120.1 78.0 1.2 55.5 42.5 -6.0 42 42 A K < - 0 0 57 -3,-1.9 27,-3.1 25,-0.2 2,-0.4 -0.787 46.3-164.5 -87.8 139.5 53.3 42.6 -2.9 43 43 A V E -b 69 0A 48 -2,-0.4 57,-3.3 25,-0.2 58,-0.6 -0.998 12.2-168.2-121.1 126.9 54.9 42.7 0.5 44 44 A I E -bc 70 101A 0 25,-2.4 27,-2.3 -2,-0.4 2,-0.4 -0.924 16.4-130.7-121.2 135.7 52.4 41.9 3.3 45 45 A A E -bc 71 102A 2 56,-2.6 58,-3.0 -2,-0.4 2,-0.6 -0.711 11.7-164.4 -86.0 135.4 52.9 42.2 7.1 46 46 A S E +bc 72 103A 0 25,-2.9 27,-2.2 -2,-0.4 2,-0.7 -0.937 16.5 177.7-116.0 101.2 52.0 39.3 9.3 47 47 A C E +bc 73 104A 1 56,-3.5 58,-2.0 -2,-0.6 2,-0.7 -0.868 6.1 178.4-116.2 100.0 51.8 40.8 12.8 48 48 A F E + c 0 105A 1 25,-2.6 58,-0.2 -2,-0.7 4,-0.1 -0.902 11.4 175.4-107.4 111.9 50.8 38.4 15.6 49 49 A F S S+ 0 0 18 56,-3.3 2,-0.3 -2,-0.7 27,-0.2 0.364 75.1 33.6 -95.0 -2.4 50.6 39.9 19.1 50 50 A E S S- 0 0 33 55,-0.3 55,-0.1 56,-0.1 0, 0.0 -0.943 105.1 -64.2-141.4 172.4 49.4 36.7 20.6 51 51 A A + 0 0 86 -2,-0.3 2,-0.3 -3,-0.0 -2,-0.1 -0.027 52.7 159.9 -60.4 150.3 50.0 33.0 19.8 52 52 A S + 0 0 30 22,-0.1 -4,-0.0 -4,-0.1 53,-0.0 -0.953 21.8 167.3-163.4 143.3 49.1 31.1 16.6 53 53 A T S > S+ 0 0 84 -2,-0.3 4,-1.8 3,-0.1 5,-0.3 0.581 86.5 29.1-115.1 -60.9 49.9 28.0 14.7 54 54 A R H > S+ 0 0 76 2,-0.2 4,-3.0 3,-0.2 5,-0.4 0.946 120.9 47.5 -66.5 -53.3 47.3 27.6 12.0 55 55 A T H > S+ 0 0 6 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.935 118.0 39.4 -62.8 -46.8 46.2 31.1 11.3 56 56 A R H > S+ 0 0 53 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.959 120.0 44.2 -68.8 -47.9 49.7 32.6 11.0 57 57 A L H X S+ 0 0 80 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.875 115.0 47.5 -68.4 -36.7 51.3 29.7 9.1 58 58 A S H X S+ 0 0 13 -4,-3.0 4,-3.1 -5,-0.3 -1,-0.2 0.902 112.7 50.5 -67.5 -37.2 48.4 29.3 6.7 59 59 A F H X S+ 0 0 0 -4,-1.8 4,-2.2 -5,-0.4 -2,-0.2 0.946 114.0 43.2 -65.2 -46.0 48.2 33.0 6.0 60 60 A E H X S+ 0 0 36 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.888 113.5 51.6 -68.9 -38.8 51.9 33.2 5.3 61 61 A T H X S+ 0 0 53 -4,-2.4 4,-2.4 -5,-0.2 5,-0.2 0.958 109.4 51.5 -59.1 -48.6 51.8 30.0 3.2 62 62 A S H X S+ 0 0 0 -4,-3.1 4,-0.8 1,-0.2 -2,-0.2 0.886 106.9 53.1 -51.7 -46.4 48.9 31.5 1.3 63 63 A M H ><>S+ 0 0 0 -4,-2.2 5,-2.9 1,-0.2 3,-0.5 0.900 111.4 46.0 -58.7 -42.3 50.9 34.7 0.6 64 64 A H H ><5S+ 0 0 110 -4,-1.9 3,-1.4 1,-0.2 -2,-0.2 0.893 106.7 56.9 -69.8 -39.2 53.8 32.7 -0.8 65 65 A R H 3<5S+ 0 0 158 -4,-2.4 -1,-0.2 1,-0.3 -27,-0.2 0.651 110.8 46.4 -62.4 -17.5 51.6 30.5 -3.0 66 66 A L T <<5S- 0 0 2 -4,-0.8 -27,-3.3 -3,-0.5 -26,-0.3 0.394 122.8-108.9-106.4 -1.5 50.4 33.7 -4.5 67 67 A G T < 5S+ 0 0 24 -3,-1.4 -26,-0.5 1,-0.3 -3,-0.2 0.549 71.1 136.9 92.1 10.0 53.9 35.0 -4.9 68 68 A A < - 0 0 3 -5,-2.9 -1,-0.3 -28,-0.2 2,-0.2 -0.519 49.9-123.8 -88.7 156.4 53.9 37.8 -2.3 69 69 A S E -b 43 0A 70 -27,-3.1 -25,-2.4 -30,-0.2 2,-0.4 -0.617 23.5-144.0 -94.8 162.9 56.6 38.5 0.2 70 70 A V E +b 44 0A 33 -27,-0.2 2,-0.3 -2,-0.2 -25,-0.2 -0.987 20.6 170.2-133.8 130.6 56.1 38.5 4.0 71 71 A V E +b 45 0A 75 -27,-2.3 -25,-2.9 -2,-0.4 2,-0.3 -0.929 31.9 82.8-127.8 162.6 57.4 40.6 6.8 72 72 A G E -b 46 0A 48 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.999 59.8 -85.7 154.4-148.4 56.4 40.7 10.5 73 73 A F E -b 47 0A 45 -27,-2.2 -25,-2.6 -2,-0.3 3,-0.1 -0.977 5.2-150.3-161.4 153.8 56.7 39.0 13.9 74 74 A S S S+ 0 0 65 -2,-0.3 2,-0.3 1,-0.2 -22,-0.1 0.365 90.5 38.8-108.9 2.8 55.0 36.2 15.8 75 75 A D > - 0 0 87 -24,-0.1 3,-0.6 -26,-0.1 -1,-0.2 -0.984 67.8-145.6-155.2 132.8 55.6 37.8 19.2 76 76 A S G > S+ 0 0 29 -2,-0.3 3,-1.9 -27,-0.2 6,-0.6 0.606 78.3 94.6 -82.0 -7.0 55.4 41.4 20.2 77 77 A A G 3 S+ 0 0 33 1,-0.3 -1,-0.2 5,-0.1 -28,-0.0 0.702 89.0 40.2 -64.7 -22.6 58.2 41.2 22.8 78 78 A N G < S+ 0 0 133 -3,-0.6 -1,-0.3 4,-0.1 2,-0.2 0.214 94.4 95.9-114.1 20.6 60.9 42.4 20.4 79 79 A T S <> S- 0 0 22 -3,-1.9 4,-1.8 1,-0.1 5,-0.2 -0.504 92.4-106.4 -89.1 169.8 59.0 45.1 18.6 80 80 A S H > S+ 0 0 48 1,-0.2 4,-2.0 2,-0.2 6,-1.4 0.766 124.6 60.2 -72.4 -19.8 59.4 48.7 19.8 81 81 A L H 4 S+ 0 0 39 4,-0.2 4,-0.4 3,-0.2 -1,-0.2 0.867 106.8 47.0 -66.7 -36.2 55.9 48.2 21.2 82 82 A G H 4 S+ 0 0 33 -6,-0.6 -2,-0.2 -3,-0.2 -1,-0.2 0.894 129.4 17.2 -73.3 -38.9 57.2 45.4 23.4 83 83 A K H < S+ 0 0 141 -4,-1.8 -3,-0.2 -7,-0.2 -2,-0.2 0.608 127.5 41.0-113.1 -14.5 60.4 47.1 24.7 84 84 A K S < S- 0 0 172 -4,-2.0 -3,-0.2 -5,-0.2 -4,-0.1 0.411 103.2-109.6-122.8 0.2 60.1 50.9 24.3 85 85 A G + 0 0 67 -4,-0.4 -4,-0.2 -5,-0.4 -3,-0.1 0.666 55.1 166.2 86.3 19.1 56.5 51.5 25.2 86 86 A E - 0 0 61 -6,-1.4 -1,-0.2 1,-0.1 -2,-0.1 -0.379 34.9-118.1 -69.7 142.4 55.1 52.4 21.8 87 87 A T > - 0 0 41 1,-0.1 4,-1.6 -2,-0.1 -1,-0.1 -0.291 18.3-118.7 -71.2 165.5 51.4 52.5 21.2 88 88 A L H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.856 114.2 60.2 -70.0 -36.4 49.6 50.1 18.8 89 89 A A H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.934 106.6 43.7 -56.9 -48.9 48.5 53.2 16.9 90 90 A D H > S+ 0 0 85 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.888 110.8 56.7 -68.1 -35.6 52.1 54.4 16.2 91 91 A T H X S+ 0 0 7 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.913 111.6 41.9 -57.9 -45.3 53.0 50.8 15.3 92 92 A I H X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.902 108.7 60.6 -71.0 -36.8 50.3 50.7 12.7 93 93 A S H < S+ 0 0 45 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.860 113.7 35.9 -61.2 -34.7 51.2 54.3 11.5 94 94 A V H >< S+ 0 0 62 -4,-2.0 3,-2.1 2,-0.1 4,-0.2 0.913 115.1 51.9 -82.6 -45.4 54.7 53.2 10.6 95 95 A I H >X S+ 0 0 22 -4,-2.2 3,-2.0 1,-0.3 4,-1.5 0.848 101.0 64.1 -60.5 -30.7 54.1 49.7 9.3 96 96 A S T 3< S+ 0 0 18 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.1 0.520 95.1 59.8 -75.6 -0.4 51.4 51.0 7.0 97 97 A T T <4 S+ 0 0 105 -3,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.436 110.1 43.9 -97.3 -1.7 54.1 53.0 5.1 98 98 A Y T <4 S+ 0 0 160 -3,-2.0 -2,-0.2 -4,-0.2 2,-0.2 0.777 107.0 45.1-105.8 -42.3 55.9 49.7 4.3 99 99 A V < - 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