==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-JUL-12 4FYV . COMPND 2 MOLECULE: ASPARTATE CARBAMOYLTRANSFERASE CATALYTIC CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR G.M.COCKRELL,E.R.KANTROWITZ . 908 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40791.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 613 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 96 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 87 9.6 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 . 2 0.2 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 . 2 0.2 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 . 64 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 117 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 210 23.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.6 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 3 3 3 2 2 2 0 0 2 0 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 0 3 4 5 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 PARALLEL BRIDGES PER LADDER . 0 0 5 1 6 3 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 0 2 2 2 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 97 0, 0.0 306,-0.2 0, 0.0 305,-0.1 0.000 360.0 360.0 360.0 168.9 37.0 46.0 -8.8 2 2 A N > - 0 0 8 304,-2.1 3,-2.0 303,-0.3 305,-0.0 -0.423 360.0-105.4 -73.6 154.2 35.7 43.1 -6.8 3 3 A P T 3 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 16,-0.1 0.735 119.7 44.3 -52.4 -26.7 33.4 43.9 -3.8 4 4 A L T > S+ 0 0 5 302,-0.1 3,-2.5 15,-0.1 302,-0.0 0.459 77.8 134.5-101.8 -1.1 36.1 43.2 -1.3 5 5 A Y T < S- 0 0 75 -3,-2.0 298,-0.2 1,-0.3 299,-0.2 -0.263 87.0 -7.5 -53.2 120.3 39.0 45.0 -3.0 6 6 A Q T 3 S+ 0 0 64 297,-2.5 -1,-0.3 1,-0.2 2,-0.2 0.642 101.4 140.2 66.4 17.5 40.9 47.1 -0.4 7 7 A K < - 0 0 116 -3,-2.5 2,-0.2 116,-0.1 -1,-0.2 -0.622 54.3-118.3 -88.6 150.9 38.3 46.4 2.3 8 8 A H - 0 0 68 -2,-0.2 2,-0.6 115,-0.1 117,-0.2 -0.618 16.7-147.0 -80.2 145.7 39.1 45.8 5.9 9 9 A I B +a 125 0A 1 115,-2.6 117,-3.1 -2,-0.2 127,-0.1 -0.818 46.8 133.1-117.8 92.6 38.0 42.4 7.3 10 10 A I + 0 0 6 -2,-0.6 2,-0.4 1,-0.3 -1,-0.1 0.804 60.6 16.0-111.5 -46.2 37.1 43.0 10.9 11 11 A S > - 0 0 0 1,-0.1 3,-2.0 123,-0.1 4,-0.4 -0.996 56.3-131.5-143.5 143.8 33.8 41.5 11.9 12 12 A I G > S+ 0 0 0 -2,-0.4 3,-1.2 1,-0.3 -1,-0.1 0.806 108.2 65.8 -61.8 -26.6 31.4 38.9 10.6 13 13 A N G 3 S+ 0 0 54 1,-0.3 -1,-0.3 -3,-0.1 158,-0.0 0.596 97.3 54.7 -74.2 -7.6 28.6 41.4 11.2 14 14 A D G < S+ 0 0 90 -3,-2.0 2,-0.6 2,-0.1 -1,-0.3 0.480 93.3 84.3 -99.5 -6.7 30.2 43.6 8.4 15 15 A L < - 0 0 8 -3,-1.2 -6,-0.0 -4,-0.4 -1,-0.0 -0.876 69.7-147.3-101.4 122.4 30.1 40.9 5.8 16 16 A S > - 0 0 52 -2,-0.6 4,-2.3 1,-0.1 5,-0.1 -0.207 32.1-102.3 -72.1 172.8 26.9 40.3 3.8 17 17 A R H > S+ 0 0 79 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.845 125.6 53.7 -64.4 -35.9 25.9 36.8 2.6 18 18 A D H > S+ 0 0 125 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.876 107.6 51.0 -66.8 -37.3 27.1 37.8 -0.9 19 19 A D H > S+ 0 0 29 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.943 111.2 47.7 -60.6 -50.1 30.5 38.7 0.6 20 20 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.934 112.3 49.1 -57.9 -46.9 30.6 35.3 2.4 21 21 A N H X S+ 0 0 54 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.850 109.9 52.6 -61.4 -36.5 29.7 33.5 -0.8 22 22 A L H X S+ 0 0 30 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.903 109.4 48.0 -67.3 -43.1 32.3 35.4 -2.7 23 23 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.939 114.7 46.3 -62.0 -45.2 35.0 34.5 -0.3 24 24 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.906 112.5 48.8 -65.9 -42.9 34.0 30.8 -0.4 25 25 A A H X S+ 0 0 41 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.919 112.4 49.1 -63.3 -41.3 33.7 30.7 -4.2 26 26 A T H X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.907 110.4 51.8 -63.1 -38.4 37.1 32.3 -4.5 27 27 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.892 107.5 51.5 -64.9 -41.8 38.5 29.7 -2.0 28 28 A A H X S+ 0 0 44 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.916 110.3 50.2 -59.8 -45.2 37.1 26.9 -4.0 29 29 A K H X S+ 0 0 79 -4,-2.1 4,-3.6 2,-0.2 -2,-0.2 0.895 111.1 46.4 -59.1 -45.4 38.8 28.2 -7.1 30 30 A L H < S+ 0 0 1 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.870 110.1 53.7 -72.2 -35.1 42.2 28.6 -5.5 31 31 A K H < S+ 0 0 73 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.941 117.1 38.8 -58.4 -47.5 42.0 25.1 -4.0 32 32 A A H < S+ 0 0 72 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.896 133.7 21.3 -71.7 -44.9 41.2 23.8 -7.5 33 33 A N S < S- 0 0 113 -4,-3.6 -1,-0.2 -5,-0.2 -2,-0.1 -0.754 81.7-150.0-131.8 91.4 43.7 26.1 -9.4 34 34 A P - 0 0 88 0, 0.0 -3,-0.1 0, 0.0 32,-0.1 -0.065 3.9-157.5 -55.2 150.2 46.5 27.6 -7.3 35 35 A Q > + 0 0 62 30,-0.2 3,-1.8 1,-0.1 4,-0.3 -0.633 14.6 176.3-131.6 76.4 47.9 31.0 -8.2 36 36 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 0.542 79.2 41.5 -66.4 -8.5 51.3 31.0 -6.7 37 37 A E T > S+ 0 0 121 1,-0.1 3,-2.2 3,-0.1 29,-0.1 0.373 78.1 107.7-118.1 4.1 52.3 34.4 -8.1 38 38 A L T < S+ 0 0 35 -3,-1.8 29,-0.2 1,-0.3 -1,-0.1 0.886 92.6 31.2 -47.2 -46.8 49.0 36.4 -7.6 39 39 A L T > S+ 0 0 0 27,-2.8 3,-2.1 -4,-0.3 -1,-0.3 0.007 83.6 151.3-107.2 29.2 50.5 38.5 -4.8 40 40 A K T < S+ 0 0 112 -3,-2.2 28,-0.2 1,-0.3 3,-0.1 -0.356 70.6 22.0 -56.2 139.2 54.1 38.6 -6.0 41 41 A H T 3 S+ 0 0 157 26,-0.5 2,-0.3 1,-0.3 -1,-0.3 0.493 94.8 121.3 75.3 5.3 55.7 41.8 -4.8 42 42 A K < - 0 0 69 -3,-2.1 27,-2.8 25,-0.2 2,-0.5 -0.785 49.5-154.4 -90.3 145.3 53.2 42.3 -2.0 43 43 A V E -b 69 0A 48 -2,-0.3 57,-3.0 25,-0.2 58,-0.7 -0.991 11.7-166.5-119.5 126.4 54.6 42.5 1.5 44 44 A I E -bc 70 101A 0 25,-2.7 27,-2.3 -2,-0.5 2,-0.5 -0.919 15.7-134.1-118.9 134.5 52.2 41.6 4.3 45 45 A A E -bc 71 102A 2 56,-2.5 58,-2.9 -2,-0.4 2,-0.8 -0.779 8.9-159.5 -87.2 128.0 52.7 42.2 8.0 46 46 A S E -bc 72 103A 0 25,-3.0 27,-1.9 -2,-0.5 2,-1.0 -0.849 18.3-176.5-105.8 92.3 51.9 39.2 10.3 47 47 A C E +bc 73 104A 2 56,-3.2 58,-2.2 -2,-0.8 2,-1.3 -0.731 12.1 175.4-103.3 90.2 51.3 41.1 13.6 48 48 A F E +bc 74 105A 0 25,-2.4 27,-2.7 -2,-1.0 58,-0.1 -0.649 10.4 164.2 -98.3 80.9 50.6 38.7 16.4 49 49 A F S S+ 0 0 19 56,-1.6 27,-1.5 -2,-1.3 2,-0.5 0.859 84.2 42.5 -59.1 -37.8 50.4 41.0 19.4 50 50 A E S S- 0 0 49 55,-1.4 -1,-0.2 -3,-0.2 55,-0.1 -0.966 105.2-120.1-105.2 129.2 48.8 37.9 21.0 51 51 A A + 0 0 42 -2,-0.5 2,-0.1 23,-0.1 23,-0.1 -0.389 40.2 162.1 -71.4 142.5 50.7 34.8 20.1 52 52 A S > - 0 0 19 -2,-0.1 4,-3.1 1,-0.1 5,-0.2 -0.524 14.2-174.1-161.6 91.0 48.9 32.1 18.2 53 53 A T H > S+ 0 0 91 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.860 84.4 47.9 -57.5 -44.6 51.1 29.5 16.5 54 54 A R H > S+ 0 0 132 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.940 117.3 41.1 -66.5 -45.1 48.4 27.6 14.7 55 55 A T H > S+ 0 0 11 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.892 115.6 50.9 -70.9 -38.9 46.6 30.7 13.4 56 56 A R H X S+ 0 0 56 -4,-3.1 4,-3.2 2,-0.2 5,-0.3 0.926 110.5 47.5 -64.6 -47.6 49.8 32.5 12.4 57 57 A L H X S+ 0 0 88 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.896 112.0 51.4 -61.5 -40.2 51.3 29.6 10.5 58 58 A S H X S+ 0 0 17 -4,-1.7 4,-2.2 -5,-0.3 -2,-0.2 0.963 114.1 43.0 -60.0 -50.5 48.0 29.1 8.7 59 59 A F H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.924 115.8 47.0 -64.1 -45.0 47.9 32.8 7.7 60 60 A E H X S+ 0 0 37 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.865 110.3 53.3 -69.9 -32.9 51.6 33.0 6.7 61 61 A T H X S+ 0 0 55 -4,-2.5 4,-2.3 -5,-0.3 -1,-0.2 0.936 107.9 51.4 -62.1 -43.9 51.3 29.9 4.7 62 62 A S H X S+ 0 0 0 -4,-2.2 4,-0.6 -5,-0.2 -2,-0.2 0.880 107.9 52.6 -62.4 -38.3 48.4 31.4 2.8 63 63 A M H ><>S+ 0 0 0 -4,-2.0 5,-2.1 1,-0.2 3,-1.1 0.953 111.7 45.0 -60.4 -48.2 50.5 34.5 2.1 64 64 A H H ><5S+ 0 0 107 -4,-2.3 3,-1.7 1,-0.3 -2,-0.2 0.831 102.5 65.2 -67.9 -30.0 53.3 32.5 0.7 65 65 A R H 3<5S+ 0 0 160 -4,-2.3 -1,-0.3 1,-0.3 -30,-0.2 0.699 106.8 44.0 -65.8 -17.2 50.9 30.3 -1.4 66 66 A L T <<5S- 0 0 0 -3,-1.1 -27,-2.8 -4,-0.6 -1,-0.3 0.297 123.5-107.2-106.6 5.2 50.1 33.4 -3.3 67 67 A G T < 5 + 0 0 23 -3,-1.7 -26,-0.5 1,-0.2 -3,-0.2 0.550 69.3 145.2 87.0 7.6 53.7 34.5 -3.6 68 68 A A < - 0 0 3 -5,-2.1 -1,-0.2 -6,-0.2 2,-0.2 -0.432 47.0-123.3 -77.0 154.5 53.6 37.4 -1.1 69 69 A S E -b 43 0A 69 -27,-2.8 -25,-2.7 -30,-0.3 2,-0.4 -0.643 25.9-146.2 -91.0 157.4 56.5 38.3 1.2 70 70 A V E +b 44 0A 36 -2,-0.2 2,-0.3 -27,-0.2 -25,-0.2 -0.982 21.1 173.8-132.0 130.1 55.9 38.3 5.0 71 71 A V E +b 45 0A 77 -27,-2.3 -25,-3.0 -2,-0.4 2,-0.3 -0.941 30.0 118.9-122.6 156.0 57.3 40.4 7.9 72 72 A G E -b 46 0A 53 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.995 39.1-131.7 177.2-172.4 56.0 40.1 11.4 73 73 A F E -b 47 0A 54 -27,-1.9 -25,-2.4 -2,-0.3 2,-0.3 -0.963 9.8-141.1-157.4 169.8 56.3 39.4 15.1 74 74 A S E +b 48 0A 53 -2,-0.3 -25,-0.2 -27,-0.2 -23,-0.1 -0.920 26.9 163.9-142.6 114.2 54.7 37.6 17.9 75 75 A D + 0 0 30 -27,-2.7 -25,-0.2 -2,-0.3 -26,-0.1 0.629 29.5 135.0 -92.3-111.7 54.5 39.1 21.4 76 76 A S S S+ 0 0 58 -27,-1.5 -1,-0.1 2,-0.3 -26,-0.1 0.128 79.2 78.4 68.5 -15.3 52.2 38.0 24.3 77 77 A A S S+ 0 0 77 -3,-0.1 2,-0.3 -28,-0.1 6,-0.1 0.935 75.3 70.5 -82.8 -56.8 55.5 38.5 26.1 78 78 A N + 0 0 66 1,-0.2 -2,-0.3 -29,-0.1 6,-0.1 -0.531 67.3 134.1 -56.4 119.7 55.4 42.3 26.3 79 79 A T S S- 0 0 92 -2,-0.3 5,-0.2 4,-0.1 -1,-0.2 0.566 70.6 -25.2-138.0 -66.7 52.6 42.7 28.8 80 80 A S S S+ 0 0 108 3,-0.1 -2,-0.1 0, 0.0 0, 0.0 0.343 108.2 83.6-151.7 0.9 52.8 45.1 31.8 81 81 A L S S- 0 0 165 0, 0.0 -3,-0.1 0, 0.0 0, 0.0 0.605 139.5 -54.9 -76.4 -14.6 56.4 45.7 32.7 82 82 A G S S- 0 0 46 2,-0.1 2,-0.8 3,-0.0 -4,-0.1 -0.015 70.9-173.2 170.7 -30.2 55.9 48.2 29.9 83 83 A K S S- 0 0 74 -6,-0.1 2,-0.3 1,-0.1 -3,-0.1 -0.414 77.2 -36.1 49.1 -98.5 54.6 46.0 27.1 84 84 A K - 0 0 65 -2,-0.8 -1,-0.1 -5,-0.2 4,-0.1 -0.887 55.6-163.2-145.2 114.2 54.8 48.8 24.7 85 85 A G + 0 0 79 -2,-0.3 -2,-0.1 2,-0.1 3,-0.1 0.739 68.6 99.8 -68.6 -23.1 53.9 52.2 26.2 86 86 A E S S- 0 0 100 1,-0.1 -2,-0.1 2,-0.1 2,-0.1 -0.351 86.1-107.9 -58.2 139.6 53.4 53.3 22.6 87 87 A T > - 0 0 34 1,-0.1 4,-2.2 -2,-0.0 5,-0.2 -0.424 14.4-124.2 -67.9 147.2 49.8 53.4 21.5 88 88 A L H > S+ 0 0 7 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.888 114.3 63.7 -48.8 -42.0 48.5 50.8 19.1 89 89 A A H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.937 105.4 42.6 -52.0 -48.4 47.5 53.8 17.0 90 90 A D H > S+ 0 0 82 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.889 111.2 54.6 -67.4 -42.3 51.1 54.8 16.6 91 91 A T H X S+ 0 0 14 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.936 113.8 42.5 -54.7 -48.2 52.3 51.2 15.9 92 92 A I H X S+ 0 0 0 -4,-3.0 4,-3.0 2,-0.2 -2,-0.2 0.932 109.5 57.0 -66.5 -43.8 49.8 50.9 13.1 93 93 A S H < S+ 0 0 47 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.876 114.8 40.4 -54.1 -38.2 50.6 54.5 11.8 94 94 A V H >< S+ 0 0 61 -4,-2.3 3,-2.1 -5,-0.2 4,-0.4 0.969 115.8 47.1 -73.2 -55.1 54.2 53.3 11.5 95 95 A I H >X S+ 0 0 21 -4,-3.0 3,-1.9 1,-0.3 4,-1.6 0.828 102.0 64.9 -62.6 -30.1 53.6 49.8 10.1 96 96 A S T 3< S+ 0 0 20 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.594 95.8 58.9 -73.3 -7.0 51.1 51.0 7.6 97 97 A T T <4 S+ 0 0 107 -3,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.556 110.1 44.7 -87.3 -10.6 53.9 52.9 5.8 98 98 A Y T <4 S+ 0 0 161 -3,-1.9 -2,-0.2 -4,-0.4 2,-0.2 0.823 109.3 44.4 -95.4 -42.2 55.8 49.7 5.4 99 99 A V < - 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