==== 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 4FYY . COMPND 2 MOLECULE: ASPARTATE CARBAMOYLTRANSFERASE CATALYTIC CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR G.M.COCKRELL,E.R.KANTROWITZ . 915 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40126.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 626 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 94 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 97 10.6 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 . 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 . 1 0.1 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 . 69 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 113 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 215 23.5 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 1 2 3 4 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 . 8 0 2 6 4 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 . 2 0 4 0 8 1 2 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 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 97 0, 0.0 306,-0.2 0, 0.0 305,-0.1 0.000 360.0 360.0 360.0 170.4 37.0 46.4 -9.0 2 2 A N > - 0 0 10 304,-2.6 3,-1.8 303,-0.2 305,-0.0 -0.252 360.0-107.9 -62.0 154.8 35.9 43.4 -6.9 3 3 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 16,-0.1 0.674 116.6 45.4 -63.6 -21.3 33.7 44.4 -3.9 4 4 A L T > S+ 0 0 5 302,-0.1 3,-2.2 298,-0.1 2,-0.1 0.377 78.4 134.7-102.8 2.5 36.4 43.7 -1.3 5 5 A Y T < S- 0 0 76 -3,-1.8 298,-0.2 1,-0.3 299,-0.2 -0.333 86.3 -7.9 -57.8 124.1 39.3 45.4 -3.1 6 6 A Q T 3 S+ 0 0 65 297,-3.0 -1,-0.3 1,-0.2 2,-0.2 0.659 102.8 141.4 62.7 18.9 41.3 47.5 -0.6 7 7 A K < - 0 0 106 -3,-2.2 2,-0.3 295,-0.1 -1,-0.2 -0.609 54.6-118.7 -88.4 149.9 38.6 46.9 2.1 8 8 A H - 0 0 69 -2,-0.2 2,-0.6 115,-0.1 117,-0.2 -0.646 17.7-149.1 -80.5 145.3 39.4 46.3 5.7 9 9 A I B +a 125 0A 1 115,-2.4 117,-3.0 -2,-0.3 127,-0.1 -0.841 46.2 131.7-117.6 92.0 38.3 42.9 7.1 10 10 A I + 0 0 2 -2,-0.6 2,-0.4 1,-0.3 -1,-0.1 0.793 60.5 21.3-111.0 -45.0 37.5 43.5 10.7 11 11 A S > - 0 0 0 1,-0.1 3,-1.7 123,-0.1 4,-0.3 -0.991 54.0-136.6-140.4 140.5 34.2 42.0 11.7 12 12 A I G > S+ 0 0 0 -2,-0.4 3,-1.2 1,-0.3 -1,-0.1 0.813 107.9 65.3 -59.5 -29.1 31.7 39.4 10.4 13 13 A N G 3 S+ 0 0 59 1,-0.2 -1,-0.3 -3,-0.1 158,-0.0 0.670 98.2 52.8 -73.0 -10.8 29.0 41.9 11.1 14 14 A D G < S+ 0 0 87 -3,-1.7 2,-0.5 2,-0.1 -1,-0.2 0.434 94.1 85.4 -95.6 -7.4 30.4 44.2 8.4 15 15 A L S < S- 0 0 9 -3,-1.2 2,-0.1 -4,-0.3 -6,-0.0 -0.877 70.1-146.3-100.4 127.5 30.4 41.4 5.7 16 16 A S > - 0 0 51 -2,-0.5 4,-2.1 1,-0.1 5,-0.2 -0.315 31.9-101.8 -80.4 171.6 27.1 40.8 3.8 17 17 A R H > S+ 0 0 81 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.888 125.8 53.7 -60.6 -37.5 26.0 37.4 2.6 18 18 A D H > S+ 0 0 125 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.893 107.1 50.8 -64.1 -39.4 27.2 38.3 -0.9 19 19 A D H > S+ 0 0 30 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.890 110.6 49.3 -62.4 -43.2 30.7 39.2 0.5 20 20 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.933 111.1 48.6 -64.4 -46.8 30.8 35.8 2.3 21 21 A N H X S+ 0 0 57 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.842 109.7 54.4 -59.9 -34.5 29.8 34.0 -0.8 22 22 A L H X S+ 0 0 29 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.915 108.3 47.0 -67.8 -44.5 32.5 35.9 -2.8 23 23 A V H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.928 114.5 47.9 -61.6 -44.2 35.3 34.9 -0.5 24 24 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.889 110.7 50.3 -66.7 -39.1 34.1 31.3 -0.5 25 25 A A H X S+ 0 0 42 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.907 112.4 47.8 -63.4 -41.5 33.9 31.2 -4.3 26 26 A T H X S+ 0 0 2 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.893 110.1 52.7 -66.0 -40.2 37.3 32.7 -4.6 27 27 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.892 107.8 50.9 -61.4 -42.8 38.6 30.1 -2.1 28 28 A A H X S+ 0 0 44 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.904 111.1 49.3 -61.1 -41.7 37.2 27.3 -4.1 29 29 A K H X S+ 0 0 82 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.915 111.1 47.0 -65.6 -44.6 38.8 28.6 -7.3 30 30 A L H < S+ 0 0 1 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.812 110.2 54.4 -69.6 -29.8 42.3 29.0 -5.7 31 31 A K H < S+ 0 0 77 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.920 114.1 41.4 -66.6 -41.9 42.0 25.5 -4.2 32 32 A A H < S+ 0 0 70 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.881 134.0 16.4 -72.1 -42.2 41.3 24.1 -7.7 33 33 A N S < S- 0 0 120 -4,-3.0 -1,-0.3 -5,-0.1 -2,-0.1 -0.799 81.6-144.7-138.1 96.6 43.9 26.2 -9.5 34 34 A P - 0 0 90 0, 0.0 -3,-0.1 0, 0.0 32,-0.1 -0.126 4.0-154.9 -56.3 150.2 46.6 27.9 -7.5 35 35 A Q > + 0 0 56 30,-0.2 3,-1.5 1,-0.1 4,-0.3 -0.750 17.2 175.6-125.9 83.0 48.0 31.4 -8.4 36 36 A P T 3 S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 0.525 79.4 40.2 -71.6 -9.3 51.5 31.3 -6.9 37 37 A E T > S+ 0 0 130 1,-0.1 3,-1.6 3,-0.1 29,-0.1 0.277 78.4 109.0-121.4 10.4 52.5 34.7 -8.3 38 38 A L T < S+ 0 0 36 -3,-1.5 29,-0.2 1,-0.3 28,-0.1 0.887 91.8 32.1 -54.1 -42.0 49.3 36.6 -7.8 39 39 A L T > S+ 0 0 1 27,-3.0 3,-2.2 -4,-0.3 -1,-0.3 0.014 83.2 153.2-109.4 28.2 50.8 38.8 -5.1 40 40 A K T < S+ 0 0 88 -3,-1.6 28,-0.2 1,-0.3 3,-0.1 -0.298 71.1 20.5 -53.5 139.0 54.4 38.9 -6.3 41 41 A H T 3 S+ 0 0 171 26,-0.5 2,-0.3 1,-0.3 -1,-0.3 0.439 95.2 124.3 72.0 2.3 56.1 42.1 -5.1 42 42 A K < - 0 0 72 -3,-2.2 27,-3.0 25,-0.2 2,-0.5 -0.728 48.6-154.6 -86.0 142.9 53.6 42.5 -2.3 43 43 A V E -b 69 0A 47 -2,-0.3 57,-2.9 25,-0.2 58,-0.8 -0.987 12.2-167.2-115.6 125.2 55.0 42.8 1.3 44 44 A I E -bc 70 101A 0 25,-2.7 27,-2.1 -2,-0.5 2,-0.5 -0.929 14.9-135.6-118.0 135.5 52.5 41.8 4.0 45 45 A A E -bc 71 102A 2 56,-2.7 58,-2.9 -2,-0.4 2,-0.8 -0.783 8.7-161.4 -91.6 128.8 53.0 42.5 7.7 46 46 A S E -bc 72 103A 0 25,-2.9 27,-2.0 -2,-0.5 2,-0.9 -0.876 17.1-178.3-109.9 95.7 52.2 39.6 10.0 47 47 A C E +bc 73 104A 1 56,-3.2 58,-2.1 -2,-0.8 2,-1.2 -0.771 11.3 176.4-108.0 90.7 51.7 41.4 13.4 48 48 A F E +bc 74 105A 0 25,-2.7 27,-2.1 -2,-0.9 58,-0.2 -0.662 10.4 164.4 -98.8 81.0 50.9 39.0 16.2 49 49 A F S S+ 0 0 26 56,-1.7 27,-0.9 -2,-1.2 2,-0.5 0.830 83.8 43.0 -62.5 -35.0 50.8 41.4 19.2 50 50 A E S S- 0 0 49 55,-1.4 -1,-0.2 -3,-0.2 55,-0.1 -0.980 105.5-119.3-106.3 127.0 49.1 38.4 20.8 51 51 A A + 0 0 42 -2,-0.5 2,-0.1 23,-0.1 -2,-0.1 -0.326 40.9 160.4 -66.0 143.2 50.9 35.2 19.9 52 52 A S > - 0 0 22 1,-0.1 4,-3.1 -4,-0.1 5,-0.2 -0.473 15.0-172.8-163.4 88.4 49.0 32.4 18.0 53 53 A T H > S+ 0 0 91 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.877 85.1 46.5 -50.7 -49.3 51.3 29.9 16.3 54 54 A R H > S+ 0 0 123 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.915 116.4 42.8 -68.4 -42.4 48.5 28.1 14.4 55 55 A T H > S+ 0 0 11 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.922 117.0 48.7 -67.4 -41.9 46.7 31.2 13.1 56 56 A R H X S+ 0 0 58 -4,-3.1 4,-3.0 2,-0.2 5,-0.3 0.945 110.7 48.3 -65.2 -49.5 50.0 32.8 12.2 57 57 A L H X S+ 0 0 90 -4,-3.1 4,-2.4 -5,-0.2 -1,-0.2 0.919 113.4 49.6 -55.2 -44.5 51.5 29.8 10.4 58 58 A S H X S+ 0 0 14 -4,-1.9 4,-2.1 -5,-0.3 -2,-0.2 0.944 113.2 44.7 -59.2 -49.8 48.2 29.5 8.4 59 59 A F H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.930 114.7 47.9 -64.2 -45.9 48.1 33.2 7.5 60 60 A E H X S+ 0 0 37 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.867 109.1 53.5 -65.5 -35.9 51.8 33.3 6.5 61 61 A T H X S+ 0 0 56 -4,-2.4 4,-2.7 -5,-0.3 -1,-0.2 0.932 107.6 51.9 -62.4 -42.3 51.5 30.1 4.4 62 62 A S H X S+ 0 0 0 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.900 107.9 51.9 -59.0 -43.0 48.6 31.7 2.6 63 63 A M H ><>S+ 0 0 0 -4,-2.0 5,-2.1 1,-0.2 3,-1.0 0.956 112.7 45.0 -58.2 -49.4 50.7 34.8 1.9 64 64 A H H ><5S+ 0 0 105 -4,-2.4 3,-1.7 1,-0.3 -2,-0.2 0.857 104.0 61.5 -63.7 -36.6 53.5 32.7 0.4 65 65 A R H 3<5S+ 0 0 162 -4,-2.7 -1,-0.3 1,-0.3 -27,-0.2 0.717 108.5 45.5 -63.3 -20.5 51.2 30.5 -1.6 66 66 A L T <<5S- 0 0 0 -3,-1.0 -27,-3.0 -4,-0.8 -1,-0.3 0.362 121.8-110.4-100.7 1.8 50.2 33.7 -3.4 67 67 A G T < 5 + 0 0 5 -3,-1.7 -26,-0.5 1,-0.3 -3,-0.2 0.600 68.0 143.0 84.5 11.2 53.9 34.8 -3.8 68 68 A A < - 0 0 3 -5,-2.1 -1,-0.3 -28,-0.2 2,-0.2 -0.487 49.1-121.6 -79.8 155.2 53.9 37.7 -1.3 69 69 A S E -b 43 0A 70 -27,-3.0 -25,-2.7 -30,-0.3 2,-0.4 -0.667 27.0-145.1 -91.1 156.3 56.8 38.5 1.0 70 70 A V E +b 44 0A 35 -2,-0.2 2,-0.3 -27,-0.2 -25,-0.2 -0.977 22.2 171.6-131.5 131.9 56.3 38.5 4.8 71 71 A V E +b 45 0A 77 -27,-2.1 -25,-2.9 -2,-0.4 2,-0.3 -0.936 29.9 110.1-125.9 153.8 57.7 40.6 7.6 72 72 A G E -b 46 0A 51 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.999 43.7-117.5 172.8-165.5 56.4 40.5 11.2 73 73 A F E -b 47 0A 71 -27,-2.0 -25,-2.7 -2,-0.3 2,-0.4 -0.982 9.3-141.8-157.1 157.0 56.6 39.6 14.8 74 74 A S E -b 48 0A 52 -2,-0.3 -25,-0.2 -27,-0.2 -23,-0.1 -0.975 32.5-178.6-124.1 147.5 54.9 37.5 17.5 75 75 A D + 0 0 46 -27,-2.1 -25,-0.2 -2,-0.4 -26,-0.1 0.163 53.3 121.9-123.8-130.9 54.6 39.0 20.9 76 76 A S + 0 0 68 -27,-0.9 3,-0.2 -26,-0.0 -1,-0.1 0.783 66.9 121.6 51.0 32.6 53.5 38.5 24.5 77 77 A A + 0 0 66 1,-0.2 2,-0.4 -28,-0.2 3,-0.3 0.499 46.4 76.3-102.8 -10.3 57.3 39.3 24.6 78 78 A N > + 0 0 60 1,-0.2 4,-1.1 2,-0.1 -1,-0.2 -0.313 65.2 152.0 -85.4 46.3 56.8 42.3 26.8 79 79 A T T 4 S- 0 0 117 -2,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.748 80.0 -6.9 -49.6 -38.2 56.3 39.6 29.5 80 80 A S T 4 S+ 0 0 113 -3,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.294 117.5 84.5-145.6 -2.2 57.5 41.7 32.4 81 81 A L T 4 S- 0 0 163 1,-0.2 2,-0.2 -4,-0.1 -2,-0.1 0.914 97.1-121.6 -68.3 -43.0 58.8 44.8 30.7 82 82 A G < - 0 0 35 -4,-1.1 -1,-0.2 3,-0.0 -2,-0.1 -0.664 34.2 -45.3 128.6 177.5 55.2 46.1 30.7 83 83 A K S S- 0 0 169 -2,-0.2 3,-0.1 1,-0.2 -3,-0.0 -0.205 81.0 -64.6 -69.8 171.3 52.6 47.3 28.2 84 84 A K - 0 0 53 1,-0.2 -1,-0.2 2,-0.1 4,-0.1 -0.120 27.3-165.8 -51.9 145.7 53.5 49.7 25.4 85 85 A G S S+ 0 0 83 -3,-0.1 2,-0.2 2,-0.1 -1,-0.2 0.721 84.1 69.2 -86.8 -45.8 54.7 53.2 26.0 86 86 A E S S- 0 0 101 1,-0.1 -2,-0.1 -3,-0.1 -1,-0.0 -0.483 93.8-116.4 -75.3 135.4 54.0 53.7 22.3 87 87 A T > - 0 0 31 -2,-0.2 4,-2.1 1,-0.1 5,-0.1 -0.264 13.9-123.6 -68.0 152.9 50.4 53.7 21.2 88 88 A L H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.876 115.5 62.4 -59.2 -36.9 49.0 51.1 18.9 89 89 A A H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.946 105.7 43.0 -52.7 -51.6 48.0 54.1 16.8 90 90 A D H > S+ 0 0 82 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.883 111.1 54.6 -64.0 -40.9 51.7 55.1 16.4 91 91 A T H X S+ 0 0 28 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.932 113.8 42.3 -58.3 -45.2 52.8 51.5 15.7 92 92 A I H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.892 108.2 58.5 -70.7 -39.1 50.3 51.3 12.9 93 93 A S H < S+ 0 0 47 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.852 114.7 39.4 -56.6 -34.2 51.1 54.8 11.6 94 94 A V H >< S+ 0 0 61 -4,-1.8 3,-2.0 -5,-0.2 4,-0.3 0.941 115.2 48.1 -80.1 -52.8 54.7 53.5 11.1 95 95 A I H >X S+ 0 0 22 -4,-2.7 3,-2.2 1,-0.3 4,-1.7 0.858 103.0 63.7 -60.2 -35.0 54.1 50.0 9.9 96 96 A S T 3< S+ 0 0 18 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.589 96.8 57.9 -69.8 -8.7 51.6 51.3 7.3 97 97 A T T <4 S+ 0 0 108 -3,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.523 111.0 45.4 -88.1 -6.8 54.4 53.2 5.6 98 98 A Y T <4 S+ 0 0 161 -3,-2.2 -2,-0.2 -4,-0.3 2,-0.2 0.834 109.7 40.0 -98.1 -43.7 56.2 49.9 5.2 99 99 A V < - 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