==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-MAR-04 1SKU . COMPND 2 MOLECULE: ASPARTATE CARBAMOYLTRANSFERASE CATALYTIC CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR N.ALAM,K.A.STIEGLITZ,M.D.CABAN,S.GOURINATH,H.TSURUTA,E.R.KAN . 916 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43511.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 509 55.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 88 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 5.5 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 . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 1 0.1 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 . 63 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 193 21.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.8 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 5 4 0 1 0 4 3 1 1 3 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 2 2 5 4 1 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 . 7 3 4 1 1 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 0 2 1 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 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 0 120 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 125.0 0.0 -27.3 46.1 2 2 A N + 0 0 82 1,-0.1 305,-0.1 305,-0.1 304,-0.1 -0.775 360.0 178.6-167.3 116.9 -0.6 -26.4 42.5 3 3 A P S S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 16,-0.1 0.943 92.5 27.4 -79.7 -54.6 -1.9 -28.3 39.4 4 4 A L S > S+ 0 0 2 3,-0.1 3,-1.1 15,-0.1 2,-0.4 0.131 85.6 131.2-100.1 18.8 -1.7 -25.7 36.6 5 5 A Y T 3 S- 0 0 91 1,-0.3 298,-0.2 301,-0.1 299,-0.1 -0.607 86.7 -4.1 -75.8 125.4 1.2 -23.6 38.1 6 6 A Q T 3 S+ 0 0 61 297,-0.8 -1,-0.3 -2,-0.4 297,-0.1 0.811 101.9 154.0 61.6 34.5 3.8 -22.9 35.4 7 7 A K < - 0 0 50 -3,-1.1 117,-0.3 1,-0.1 -1,-0.1 -0.276 51.0-117.7 -87.1 171.5 1.9 -25.1 32.8 8 8 A H - 0 0 61 115,-0.1 116,-0.4 -2,-0.1 -1,-0.1 0.982 28.0-175.6 -76.4 -61.6 1.8 -25.0 29.0 9 9 A I + 0 0 1 2,-0.1 117,-1.3 116,-0.1 3,-0.1 0.998 35.2 130.3 53.3 74.7 -1.8 -24.3 28.0 10 10 A I + 0 0 0 1,-0.4 2,-0.3 115,-0.2 103,-0.1 0.673 68.1 15.3-118.4 -46.5 -1.4 -24.5 24.2 11 11 A S >> - 0 0 5 124,-0.1 3,-0.7 123,-0.1 4,-0.6 -0.941 66.9-122.9-135.7 158.8 -4.3 -26.8 23.1 12 12 A I T 34 S+ 0 0 1 -2,-0.3 3,-0.2 1,-0.2 8,-0.1 0.708 105.4 69.8 -73.0 -22.1 -7.5 -28.2 24.7 13 13 A N T 34 S+ 0 0 71 1,-0.2 -1,-0.2 -3,-0.0 0, 0.0 0.789 95.2 54.2 -65.7 -29.3 -6.4 -31.8 24.2 14 14 A D T <4 S+ 0 0 57 -3,-0.7 2,-0.5 2,-0.1 -1,-0.2 0.800 94.7 82.2 -74.1 -30.7 -3.7 -31.4 26.9 15 15 A L < - 0 0 4 -4,-0.6 -1,-0.0 -3,-0.2 2,-0.0 -0.680 68.2-160.0 -81.6 127.6 -6.3 -30.2 29.4 16 16 A S > - 0 0 67 -2,-0.5 4,-1.8 1,-0.0 5,-0.2 -0.057 38.8 -86.3 -91.7-170.8 -8.3 -33.0 31.2 17 17 A R H > S+ 0 0 100 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.839 130.6 51.9 -65.9 -35.9 -11.6 -32.9 33.1 18 18 A D H > S+ 0 0 135 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.788 109.6 51.2 -73.2 -22.7 -9.9 -31.8 36.3 19 19 A D H > S+ 0 0 27 2,-0.2 4,-1.1 1,-0.2 -2,-0.2 0.883 110.7 46.6 -81.0 -38.8 -8.0 -28.9 34.4 20 20 A L H X S+ 0 0 1 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.837 111.1 52.0 -70.9 -35.0 -11.2 -27.4 32.8 21 21 A N H X S+ 0 0 64 -4,-1.4 4,-1.2 1,-0.2 -1,-0.2 0.698 106.7 53.7 -76.1 -21.7 -13.1 -27.6 36.2 22 22 A L H X S+ 0 0 47 -4,-0.6 4,-1.2 2,-0.2 -1,-0.2 0.789 110.8 45.7 -79.8 -31.4 -10.3 -25.7 38.0 23 23 A V H X S+ 0 0 0 -4,-1.1 4,-1.1 2,-0.2 -2,-0.2 0.801 114.8 47.0 -80.7 -32.3 -10.4 -22.8 35.5 24 24 A L H X S+ 0 0 0 -4,-1.6 4,-1.1 2,-0.2 -2,-0.2 0.852 114.6 46.3 -75.6 -37.4 -14.3 -22.6 35.5 25 25 A A H X S+ 0 0 36 -4,-1.2 4,-0.7 2,-0.2 -2,-0.2 0.829 113.8 48.5 -72.9 -34.3 -14.5 -22.7 39.3 26 26 A T H X S+ 0 0 5 -4,-1.2 4,-1.7 2,-0.2 -1,-0.2 0.763 109.4 53.6 -75.5 -27.4 -11.7 -20.1 39.6 27 27 A A H X S+ 0 0 0 -4,-1.1 4,-0.8 1,-0.2 -2,-0.2 0.780 109.4 48.0 -76.1 -29.1 -13.4 -17.9 37.0 28 28 A A H X S+ 0 0 36 -4,-1.1 4,-0.9 2,-0.2 -2,-0.2 0.665 113.0 49.8 -80.9 -19.4 -16.7 -18.0 39.1 29 29 A K H X S+ 0 0 96 -4,-0.7 4,-0.8 2,-0.2 -2,-0.2 0.809 111.5 44.3 -90.6 -36.0 -14.7 -17.2 42.3 30 30 A L H < S+ 0 0 1 -4,-1.7 -2,-0.2 2,-0.2 -3,-0.1 0.715 113.2 53.3 -81.1 -24.2 -12.8 -14.2 41.0 31 31 A K H < S+ 0 0 84 -4,-0.8 -2,-0.2 1,-0.2 -1,-0.2 0.886 113.7 42.3 -70.9 -42.7 -16.0 -12.9 39.4 32 32 A A H < S+ 0 0 84 -4,-0.9 -2,-0.2 1,-0.3 -1,-0.2 0.684 134.3 20.7 -74.5 -20.3 -17.7 -13.2 42.7 33 33 A N S < S- 0 0 89 -4,-0.8 -1,-0.3 2,-0.0 -2,-0.1 -0.645 81.8-150.9-153.6 84.8 -14.7 -11.7 44.5 34 34 A P - 0 0 83 0, 0.0 -3,-0.1 0, 0.0 32,-0.1 -0.329 2.2-158.9 -62.9 138.4 -12.2 -9.7 42.5 35 35 A Q > + 0 0 48 1,-0.1 3,-1.1 -5,-0.1 4,-0.3 -0.845 11.1 179.5-118.5 90.4 -8.5 -9.6 43.5 36 36 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 30,-0.1 0.381 79.3 46.9 -76.3 4.9 -7.0 -6.5 42.0 37 37 A E T 3 S+ 0 0 126 3,-0.1 3,-0.4 30,-0.0 30,-0.2 -0.073 77.2 105.4-134.6 34.0 -3.5 -7.2 43.5 38 38 A L S < S+ 0 0 24 -3,-1.1 29,-0.1 28,-0.7 28,-0.1 0.952 88.6 33.9 -76.8 -53.9 -3.0 -10.9 42.7 39 39 A L S > S+ 0 0 0 27,-1.0 3,-1.0 -4,-0.3 30,-0.2 -0.162 87.0 153.4 -96.6 38.4 -0.4 -10.5 39.9 40 40 A K T 3 + 0 0 88 -3,-0.4 28,-0.2 1,-0.2 3,-0.1 -0.423 65.4 16.8 -72.7 144.2 1.3 -7.4 41.4 41 41 A H T 3 S+ 0 0 166 26,-0.5 2,-0.4 1,-0.2 -1,-0.2 0.783 102.8 116.0 61.7 31.3 4.9 -6.8 40.4 42 42 A K < - 0 0 54 -3,-1.0 27,-0.9 25,-0.2 2,-0.3 -0.984 53.6-151.1-134.3 121.5 4.5 -9.3 37.5 43 43 A V E -a 69 0A 46 -2,-0.4 57,-1.8 25,-0.2 58,-0.5 -0.684 8.9-167.8 -92.9 142.5 4.8 -8.3 33.8 44 44 A I E -a 70 0A 0 25,-1.2 27,-1.3 -2,-0.3 2,-0.2 -0.993 12.4-141.7-131.7 126.6 2.9 -10.2 31.0 45 45 A A E -ab 71 102A 2 56,-2.4 58,-0.8 -2,-0.4 2,-0.3 -0.554 4.0-159.5 -81.5 148.2 3.7 -9.7 27.3 46 46 A S E -a 72 0A 0 25,-1.4 2,-1.6 -2,-0.2 27,-1.1 -0.733 14.7-178.3-126.2 80.1 0.8 -9.7 24.7 47 47 A C E +a 73 0A 2 -2,-0.3 2,-1.2 25,-0.2 58,-1.2 -0.551 2.1 178.4 -87.8 77.0 2.7 -10.6 21.5 48 48 A F E +ac 74 105A 0 -2,-1.6 27,-1.2 25,-1.3 58,-0.1 -0.663 11.7 167.6 -85.0 93.9 -0.1 -10.4 18.9 49 49 A F S S+ 0 0 31 56,-1.8 2,-0.5 -2,-1.2 28,-0.3 0.904 75.1 54.1 -69.1 -44.7 1.7 -11.2 15.6 50 50 A E S S- 0 0 67 55,-1.8 2,-1.1 -3,-0.2 26,-0.1 -0.824 102.4-117.3 -87.3 130.0 -1.7 -11.6 14.0 51 51 A A + 0 0 55 -2,-0.5 2,-0.5 24,-0.4 23,-0.1 -0.578 45.1 162.6 -77.4 98.8 -3.9 -8.5 14.6 52 52 A S > - 0 0 13 -2,-1.1 4,-0.8 1,-0.1 5,-0.1 -0.984 15.4-172.6-114.3 121.6 -6.9 -9.5 16.7 53 53 A T H > S+ 0 0 96 -2,-0.5 4,-1.2 2,-0.2 -1,-0.1 0.944 80.5 40.2 -81.9 -51.0 -8.6 -6.5 18.3 54 54 A R H > S+ 0 0 113 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.825 115.5 51.3 -69.4 -33.5 -11.2 -8.1 20.6 55 55 A T H > S+ 0 0 4 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.810 108.4 50.9 -77.5 -31.6 -9.0 -11.0 21.8 56 56 A R H X S+ 0 0 56 -4,-0.8 4,-2.2 1,-0.2 -1,-0.2 0.806 111.6 47.2 -74.2 -31.9 -6.1 -8.7 22.8 57 57 A L H X S+ 0 0 84 -4,-1.2 4,-0.6 2,-0.2 -2,-0.2 0.654 108.4 54.1 -86.6 -18.4 -8.3 -6.4 24.9 58 58 A S H X S+ 0 0 13 -4,-1.0 4,-0.8 2,-0.2 -1,-0.2 0.729 115.7 41.4 -80.1 -26.0 -10.0 -9.3 26.7 59 59 A F H X S+ 0 0 0 -4,-0.8 4,-1.4 2,-0.2 -2,-0.2 0.890 115.3 47.3 -83.8 -46.6 -6.6 -10.6 27.7 60 60 A E H X S+ 0 0 30 -4,-2.2 4,-1.5 1,-0.2 -3,-0.2 0.678 110.1 54.8 -72.6 -20.5 -4.9 -7.2 28.5 61 61 A T H X S+ 0 0 59 -4,-0.6 4,-1.3 2,-0.2 -1,-0.2 0.888 107.3 49.7 -73.3 -43.6 -8.0 -6.3 30.6 62 62 A S H X S+ 0 0 0 -4,-0.8 4,-0.6 2,-0.2 -2,-0.2 0.777 110.2 51.6 -65.7 -29.1 -7.6 -9.5 32.6 63 63 A M H ><>S+ 0 0 0 -4,-1.4 5,-2.1 1,-0.2 3,-0.8 0.940 114.2 41.8 -69.9 -49.5 -3.9 -8.7 33.2 64 64 A H H 3<5S+ 0 0 112 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.642 105.5 66.5 -72.2 -16.3 -4.7 -5.2 34.4 65 65 A R H 3<5S+ 0 0 156 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.715 104.5 43.5 -79.2 -22.8 -7.7 -6.5 36.5 66 66 A L T <<5S- 0 0 0 -3,-0.8 -27,-1.0 -4,-0.6 -28,-0.7 0.440 125.2-102.0 -97.4 -5.0 -5.3 -8.5 38.7 67 67 A G T 5S+ 0 0 19 -4,-0.4 -26,-0.5 1,-0.3 -3,-0.2 0.582 74.3 139.5 96.6 13.0 -2.9 -5.5 39.0 68 68 A A < - 0 0 3 -5,-2.1 -1,-0.3 -28,-0.2 -25,-0.2 -0.538 50.0-119.1 -85.4 154.3 -0.2 -6.7 36.5 69 69 A S E -a 43 0A 58 -27,-0.9 -25,-1.2 -30,-0.2 2,-0.4 -0.422 26.3-139.9 -85.4 167.5 1.6 -4.5 34.0 70 70 A V E +a 44 0A 32 -27,-0.2 2,-0.3 -2,-0.1 -25,-0.2 -0.990 22.0 178.5-138.0 139.8 1.4 -5.0 30.2 71 71 A V E +a 45 0A 81 -27,-1.3 -25,-1.4 -2,-0.4 2,-0.3 -0.872 29.3 151.4-139.5 103.9 3.8 -4.8 27.3 72 72 A G E -a 46 0A 44 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.931 26.1-162.4-139.5 157.4 2.3 -5.7 23.9 73 73 A F E -a 47 0A 67 -27,-1.1 -25,-1.3 -2,-0.3 2,-0.3 -0.907 5.6-157.1-133.0 161.9 2.4 -5.1 20.1 74 74 A S E -a 48 0A 53 -2,-0.3 2,-0.4 -27,-0.1 -25,-0.2 -0.869 8.3-156.6-145.4 108.0 0.1 -5.6 17.1 75 75 A D - 0 0 54 -27,-1.2 2,-1.4 -2,-0.3 -24,-0.4 -0.700 16.8-136.0 -86.3 132.5 1.4 -5.9 13.6 76 76 A S S S- 0 0 100 -2,-0.4 -26,-0.1 1,-0.2 -1,-0.1 -0.599 72.8 -51.2 -90.9 76.4 -1.1 -5.1 10.8 77 77 A A S S- 0 0 96 -2,-1.4 -1,-0.2 -28,-0.3 -27,-0.1 0.980 76.1-166.9 54.4 89.0 -0.4 -8.0 8.4 78 78 A N + 0 0 85 -29,-0.3 -29,-0.0 -3,-0.2 -28,-0.0 0.238 50.0 103.3 -97.3-167.7 3.4 -8.0 7.9 79 79 A T > - 0 0 111 1,-0.2 3,-0.8 2,-0.1 2,-0.3 0.917 51.3-178.5 86.0 39.9 5.4 -9.9 5.2 80 80 A S T 3 - 0 0 76 1,-0.2 -1,-0.2 3,-0.0 -2,-0.1 -0.598 64.9 -9.4 -76.6 121.6 6.0 -6.7 3.1 81 81 A L T 3 S- 0 0 183 -2,-0.3 2,-1.0 1,-0.2 -1,-0.2 0.792 119.3 -71.1 61.1 40.3 8.0 -7.5 -0.2 82 82 A G S < S+ 0 0 52 -3,-0.8 2,-0.5 0, 0.0 -1,-0.2 -0.733 112.3 56.9 90.5 -94.9 9.0 -11.1 0.7 83 83 A K + 0 0 193 -2,-1.0 2,-0.2 -4,-0.0 -3,-0.0 -0.700 59.8 164.3 -96.8 124.4 11.5 -11.3 3.5 84 84 A K - 0 0 144 -2,-0.5 -3,-0.0 2,-0.1 -1,-0.0 -0.478 35.0 -40.5-120.1 179.9 11.0 -9.7 6.8 85 85 A G S S- 0 0 74 -2,-0.2 2,-0.2 1,-0.0 -1,-0.0 0.834 77.1 -33.6 -20.6-143.2 12.3 -9.8 10.4 86 86 A E - 0 0 111 1,-0.1 5,-0.1 2,-0.0 -2,-0.1 -0.523 61.8 -91.1 -90.0 174.5 13.4 -12.4 12.7 87 87 A T > - 0 0 57 -2,-0.2 4,-0.9 1,-0.1 -1,-0.1 -0.353 33.5-118.5 -81.2 162.8 12.5 -15.9 13.3 88 88 A L H > S+ 0 0 12 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.710 114.7 53.7 -78.1 -22.4 9.8 -16.7 15.8 89 89 A A H > S+ 0 0 3 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.796 108.7 50.8 -75.7 -31.5 12.2 -18.8 18.0 90 90 A D H > S+ 0 0 86 2,-0.2 4,-0.8 1,-0.1 -2,-0.2 0.705 111.9 47.6 -77.3 -22.2 14.5 -15.8 18.1 91 91 A T H X S+ 0 0 20 -4,-0.9 4,-1.8 2,-0.2 -2,-0.2 0.907 110.5 47.8 -85.0 -46.3 11.7 -13.5 19.2 92 92 A I H X S+ 0 0 2 -4,-1.6 4,-1.4 1,-0.2 -2,-0.2 0.850 108.3 57.4 -63.3 -37.1 10.2 -15.6 22.0 93 93 A S H X S+ 0 0 39 -4,-1.2 4,-0.8 1,-0.2 -1,-0.2 0.901 111.4 39.7 -60.6 -45.4 13.7 -16.2 23.5 94 94 A V H < S+ 0 0 62 -4,-0.8 4,-0.5 1,-0.2 -1,-0.2 0.793 116.3 51.3 -77.7 -29.4 14.5 -12.5 23.9 95 95 A I H X S+ 0 0 32 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.720 101.6 64.3 -76.0 -22.6 10.9 -11.7 25.1 96 96 A S H < S+ 0 0 11 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.827 98.4 50.9 -74.6 -33.9 11.1 -14.5 27.6 97 97 A T T < S+ 0 0 124 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.708 109.7 54.1 -75.3 -21.0 13.9 -12.9 29.7 98 98 A Y T 4 S+ 0 0 165 -4,-0.5 -2,-0.2 -3,-0.1 -1,-0.2 0.941 113.7 28.0 -73.5 -50.6 11.9 -9.7 29.8 99 99 A V < - 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