==== 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 22-MAY-06 2H3E . COMPND 2 MOLECULE: ASPARTATE CARBAMOYLTRANSFERASE CATALYTIC CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.ELDO,J.P.CARDIA,E.M.O'DAY,J.XIA,H.TSURUTA,E.R.KANTROWITZ . 912 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38415.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 609 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 92 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 92 10.1 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 . 5 0.5 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 . 72 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 202 22.1 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 4 1 3 2 3 2 2 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 3 4 7 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 0 4 1 8 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 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 96 0, 0.0 306,-0.2 0, 0.0 305,-0.1 0.000 360.0 360.0 360.0 114.4 36.7 45.7 -9.0 2 2 A N > - 0 0 7 304,-2.3 3,-1.9 303,-0.3 305,-0.0 -0.223 360.0 -97.7 -62.3 159.3 35.2 42.7 -7.3 3 3 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 16,-0.1 0.763 122.8 46.0 -50.5 -29.8 32.9 43.5 -4.3 4 4 A L T > S+ 0 0 3 15,-0.1 3,-1.8 302,-0.1 2,-0.1 0.323 76.7 134.6-100.1 7.3 35.8 42.8 -1.8 5 5 A Y T < S- 0 0 78 -3,-1.9 298,-0.2 1,-0.3 299,-0.2 -0.361 85.8 -7.2 -61.4 131.8 38.7 44.7 -3.5 6 6 A Q T 3 S+ 0 0 77 297,-2.8 2,-0.3 1,-0.2 -1,-0.3 0.735 103.8 145.1 54.3 27.2 40.7 46.9 -1.1 7 7 A K < - 0 0 110 -3,-1.8 -1,-0.2 116,-0.1 2,-0.2 -0.732 52.1-120.6-101.4 144.1 38.1 46.0 1.6 8 8 A H - 0 0 65 -2,-0.3 2,-0.5 115,-0.1 117,-0.2 -0.539 16.0-154.8 -76.3 145.1 38.7 45.4 5.4 9 9 A I B +a 125 0A 1 115,-2.2 117,-3.1 -2,-0.2 127,-0.1 -0.814 44.1 131.3-122.9 86.2 37.7 42.0 6.7 10 10 A I + 0 0 3 -2,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.828 64.1 12.3-106.0 -46.5 37.0 42.6 10.3 11 11 A S > - 0 0 1 -3,-0.1 3,-1.5 123,-0.1 4,-0.4 -0.996 54.6-135.3-139.9 143.3 33.6 41.1 11.4 12 12 A I G > S+ 0 0 0 -2,-0.3 3,-1.4 1,-0.3 -1,-0.1 0.800 106.1 71.3 -64.6 -24.4 31.1 38.7 9.8 13 13 A N G 3 S+ 0 0 69 1,-0.3 -1,-0.3 -3,-0.1 158,-0.0 0.779 96.5 51.1 -60.7 -25.5 28.5 41.1 11.0 14 14 A D G < S+ 0 0 85 -3,-1.5 -1,-0.3 2,-0.1 2,-0.2 0.560 100.5 80.5 -87.8 -12.5 29.8 43.5 8.2 15 15 A L < - 0 0 20 -3,-1.4 2,-0.3 -4,-0.4 -6,-0.0 -0.619 67.1-142.7 -98.5 157.5 29.6 40.9 5.5 16 16 A S >> - 0 0 50 -2,-0.2 4,-2.2 1,-0.1 3,-0.5 -0.781 32.9-102.0-115.4 161.1 26.6 39.7 3.5 17 17 A R H 3> S+ 0 0 91 -2,-0.3 4,-2.6 1,-0.3 5,-0.2 0.853 123.8 54.5 -46.8 -39.5 25.6 36.2 2.2 18 18 A D H 3> S+ 0 0 118 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.924 105.4 50.7 -63.5 -45.4 26.9 37.4 -1.2 19 19 A D H <> S+ 0 0 30 -3,-0.5 4,-1.6 1,-0.2 -2,-0.2 0.941 112.2 47.8 -57.1 -48.4 30.3 38.3 0.1 20 20 A L H X S+ 0 0 1 -4,-2.2 4,-2.1 1,-0.2 3,-0.4 0.928 111.4 49.9 -57.6 -48.8 30.6 34.9 1.8 21 21 A N H X S+ 0 0 57 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.863 106.4 57.0 -59.2 -37.5 29.5 33.1 -1.4 22 22 A L H X S+ 0 0 28 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.864 106.8 48.4 -63.2 -37.4 32.0 35.1 -3.4 23 23 A V H X S+ 0 0 2 -4,-1.6 4,-2.8 -3,-0.4 -2,-0.2 0.944 111.9 48.3 -69.1 -47.4 34.9 33.8 -1.2 24 24 A L H X S+ 0 0 6 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.909 111.8 49.1 -60.0 -44.1 33.8 30.2 -1.4 25 25 A A H X S+ 0 0 43 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.942 113.0 47.7 -60.4 -48.1 33.4 30.3 -5.2 26 26 A T H X S+ 0 0 1 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.892 109.1 53.7 -59.8 -41.6 36.8 31.9 -5.5 27 27 A A H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.913 108.4 50.6 -59.9 -42.4 38.3 29.3 -3.2 28 28 A A H X S+ 0 0 51 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.904 110.8 48.4 -62.4 -43.2 36.9 26.6 -5.4 29 29 A K H X S+ 0 0 100 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.917 113.9 45.7 -64.2 -45.3 38.4 28.1 -8.6 30 30 A L H < S+ 0 0 2 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.797 109.8 53.8 -69.6 -30.3 41.8 28.5 -7.1 31 31 A K H < S+ 0 0 93 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.912 114.9 42.6 -68.9 -39.4 41.8 25.0 -5.6 32 32 A A H < S+ 0 0 67 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.897 134.0 16.7 -71.5 -43.2 41.0 23.8 -9.1 33 33 A N S < S- 0 0 118 -4,-2.9 -1,-0.3 -5,-0.1 -2,-0.1 -0.774 80.6-150.8-137.7 91.9 43.5 26.1 -10.9 34 34 A P - 0 0 82 0, 0.0 -3,-0.1 0, 0.0 32,-0.1 -0.216 3.4-149.3 -60.0 148.4 46.2 27.7 -8.7 35 35 A Q > - 0 0 48 1,-0.1 3,-1.8 30,-0.1 4,-0.3 -0.729 14.8-178.3-124.0 79.5 47.5 31.1 -9.7 36 36 A P T 3 S+ 0 0 75 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.659 84.0 37.4 -48.6 -27.6 51.2 31.2 -8.5 37 37 A E T > S+ 0 0 126 1,-0.1 3,-2.0 2,-0.1 29,-0.1 0.384 80.8 109.2-110.9 1.7 51.8 34.7 -9.7 38 38 A L T < S+ 0 0 31 -3,-1.8 29,-0.2 1,-0.3 -1,-0.1 0.800 93.8 27.4 -49.2 -34.9 48.4 36.2 -8.9 39 39 A L T > S+ 0 0 1 27,-3.2 3,-1.4 -4,-0.3 -1,-0.3 0.068 83.9 145.7-118.6 25.4 49.9 38.3 -6.1 40 40 A K T < + 0 0 108 -3,-2.0 28,-0.2 1,-0.3 3,-0.1 -0.299 68.5 30.7 -59.0 146.3 53.5 38.7 -7.2 41 41 A H T 3 S+ 0 0 159 26,-0.5 2,-0.4 1,-0.3 -1,-0.3 0.549 94.0 121.6 78.5 7.6 55.0 42.1 -6.2 42 42 A K < - 0 0 59 -3,-1.4 27,-2.7 25,-0.2 2,-0.5 -0.823 46.6-161.0-103.7 143.8 52.8 42.2 -3.1 43 43 A V E -b 69 0A 50 -2,-0.4 57,-3.3 25,-0.2 58,-0.7 -0.990 14.0-172.0-123.6 119.6 54.2 42.5 0.4 44 44 A I E -bc 70 101A 0 25,-2.3 27,-2.1 -2,-0.5 2,-0.4 -0.921 18.2-131.3-117.5 140.5 51.8 41.5 3.2 45 45 A A E -bc 71 102A 2 56,-2.7 58,-2.7 -2,-0.4 2,-0.6 -0.714 11.3-165.3 -90.1 136.0 52.2 41.8 7.0 46 46 A S E +bc 72 103A 0 25,-2.4 27,-2.0 -2,-0.4 2,-0.7 -0.912 17.9 176.1-119.9 95.7 51.6 38.8 9.2 47 47 A C E +bc 73 104A 3 56,-3.4 58,-1.7 -2,-0.6 2,-0.7 -0.829 7.2 177.4-111.7 98.0 51.3 40.3 12.7 48 48 A F E + c 0 105A 1 25,-2.7 28,-0.2 -2,-0.7 58,-0.2 -0.857 13.6 170.0-105.4 109.1 50.4 37.9 15.5 49 49 A F S S+ 0 0 19 56,-2.5 2,-0.3 -2,-0.7 57,-0.2 0.296 74.7 49.4 -92.4 6.1 50.3 39.4 18.9 50 50 A E S S- 0 0 31 55,-0.2 55,-0.1 56,-0.1 0, 0.0 -0.979 102.8 -79.0-144.0 151.8 48.7 36.2 20.2 51 51 A A + 0 0 80 -2,-0.3 2,-0.3 5,-0.0 -2,-0.1 -0.062 54.5 160.0 -52.5 149.7 49.6 32.5 19.8 52 52 A S + 0 0 24 22,-0.1 -4,-0.0 -4,-0.1 53,-0.0 -0.896 26.2 167.9-173.0 141.2 48.7 30.7 16.6 53 53 A T S > S+ 0 0 85 -2,-0.3 4,-1.6 3,-0.1 5,-0.3 0.665 86.7 28.7-118.6 -62.8 49.6 27.6 14.5 54 54 A R H > S+ 0 0 60 3,-0.2 4,-3.1 2,-0.2 5,-0.5 0.949 119.7 50.1 -67.9 -53.9 46.9 27.1 11.8 55 55 A T H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.936 118.0 37.0 -54.7 -53.1 45.8 30.7 11.2 56 56 A R H > S+ 0 0 54 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.936 122.1 43.4 -68.3 -45.3 49.3 32.2 10.8 57 57 A L H X S+ 0 0 82 -4,-1.6 4,-2.7 2,-0.2 5,-0.2 0.913 115.1 46.8 -68.7 -42.7 50.9 29.3 8.9 58 58 A S H X S+ 0 0 13 -4,-3.1 4,-2.4 -5,-0.3 -1,-0.2 0.912 114.0 51.3 -65.0 -37.1 48.0 28.7 6.6 59 59 A F H X S+ 0 0 0 -4,-1.7 4,-1.9 -5,-0.5 -2,-0.2 0.908 113.5 42.5 -64.2 -44.4 47.8 32.4 5.9 60 60 A E H X S+ 0 0 41 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.877 112.5 53.2 -70.9 -38.1 51.6 32.7 5.1 61 61 A T H X S+ 0 0 53 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.932 110.3 49.7 -60.8 -43.2 51.5 29.5 3.1 62 62 A S H X S+ 0 0 0 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.878 107.1 53.5 -62.8 -41.2 48.6 31.0 1.1 63 63 A M H <>S+ 0 0 0 -4,-1.9 5,-2.8 1,-0.2 3,-0.3 0.928 114.2 41.8 -60.7 -44.3 50.5 34.3 0.5 64 64 A H H ><5S+ 0 0 108 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.861 108.2 60.5 -69.5 -37.2 53.5 32.3 -0.9 65 65 A R H 3<5S+ 0 0 154 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.793 109.3 44.3 -59.5 -29.5 51.1 30.0 -2.8 66 66 A L T 3<5S- 0 0 1 -4,-1.4 -27,-3.2 -3,-0.3 -1,-0.3 0.233 124.5-103.6-100.0 9.9 49.9 33.2 -4.6 67 67 A G T < 5S+ 0 0 25 -3,-1.9 -26,-0.5 1,-0.2 -3,-0.2 0.513 74.5 134.2 83.9 7.0 53.4 34.6 -5.2 68 68 A A < - 0 0 4 -5,-2.8 -1,-0.2 -6,-0.2 2,-0.2 -0.487 50.2-124.2 -90.7 159.8 53.5 37.3 -2.5 69 69 A S E -b 43 0A 73 -27,-2.7 -25,-2.3 -30,-0.2 2,-0.4 -0.649 23.5-143.6 -97.4 157.9 56.3 38.1 0.1 70 70 A V E +b 44 0A 35 -2,-0.2 2,-0.3 -27,-0.2 -25,-0.2 -0.966 20.4 171.1-130.6 140.8 55.7 38.2 3.8 71 71 A V E +b 45 0A 74 -27,-2.1 -25,-2.4 -2,-0.4 2,-0.3 -0.952 33.2 82.8-136.6 155.9 57.0 40.3 6.7 72 72 A G E -b 46 0A 51 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -1.000 58.9 -89.0 154.2-152.4 55.9 40.4 10.3 73 73 A F E -b 47 0A 48 -27,-2.0 -25,-2.7 -2,-0.3 3,-0.1 -0.978 3.5-151.4-160.7 154.7 56.2 38.8 13.7 74 74 A S S S+ 0 0 64 -2,-0.3 2,-0.3 1,-0.3 -22,-0.1 0.226 90.1 44.6-115.5 10.4 54.5 36.0 15.7 75 75 A D > - 0 0 83 -24,-0.1 3,-1.3 -26,-0.1 -1,-0.3 -0.844 64.8-151.9-158.6 113.6 55.2 37.5 19.1 76 76 A S G > S+ 0 0 30 -2,-0.3 3,-1.5 1,-0.3 6,-0.5 0.581 79.2 95.4 -62.7 -8.4 54.8 41.2 20.0 77 77 A A G 3 S+ 0 0 32 1,-0.3 -1,-0.3 5,-0.1 -28,-0.0 0.696 90.2 37.0 -58.4 -22.7 57.6 40.8 22.6 78 78 A N G < S+ 0 0 137 -3,-1.3 -1,-0.3 4,-0.1 2,-0.2 0.252 95.1 96.6-116.3 12.7 60.3 42.0 20.2 79 79 A T S <> S- 0 0 20 -3,-1.5 4,-1.4 -4,-0.1 3,-0.5 -0.445 91.1-107.3 -88.5 169.9 58.3 44.8 18.4 80 80 A S H > S+ 0 0 52 1,-0.2 4,-1.6 2,-0.2 6,-1.3 0.685 121.6 63.1 -73.8 -13.9 58.7 48.3 19.7 81 81 A L H 4 S+ 0 0 38 4,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.814 106.7 44.1 -76.3 -29.8 55.2 48.0 21.0 82 82 A G H 4 S+ 0 0 34 -6,-0.5 -2,-0.2 -3,-0.5 -1,-0.2 0.792 128.0 22.4 -85.4 -29.6 56.4 45.2 23.3 83 83 A K H < S+ 0 0 150 -4,-1.4 -3,-0.2 -7,-0.1 -2,-0.2 0.559 126.6 41.0-115.9 -9.7 59.7 46.7 24.6 84 84 A K S < S- 0 0 166 -4,-1.6 -3,-0.2 -5,-0.2 -2,-0.1 0.347 105.4-107.6-120.8 5.8 59.3 50.5 24.1 85 85 A G + 0 0 72 -4,-0.3 -4,-0.2 1,-0.2 2,-0.2 0.744 57.2 167.9 77.2 26.1 55.7 51.2 25.2 86 86 A E - 0 0 61 -6,-1.3 -1,-0.2 1,-0.1 -2,-0.1 -0.466 34.2-117.5 -78.9 142.3 54.3 51.9 21.8 87 87 A T > - 0 0 40 -2,-0.2 4,-1.5 1,-0.1 -1,-0.1 -0.310 17.8-124.5 -71.6 156.9 50.6 52.1 21.0 88 88 A L H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.865 111.5 60.2 -68.8 -34.3 49.0 49.6 18.6 89 89 A A H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.936 105.8 43.1 -58.2 -53.1 47.8 52.6 16.7 90 90 A D H > S+ 0 0 84 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.845 111.4 57.6 -63.8 -32.0 51.3 54.0 15.9 91 91 A T H X S+ 0 0 7 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.921 111.6 40.4 -63.9 -44.7 52.4 50.5 15.1 92 92 A I H X S+ 0 0 2 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.906 109.3 61.3 -70.3 -40.6 49.7 50.2 12.5 93 93 A S H < S+ 0 0 43 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.876 113.5 35.9 -52.8 -40.7 50.4 53.8 11.3 94 94 A V H >< S+ 0 0 61 -4,-2.0 3,-1.6 2,-0.1 -1,-0.2 0.876 115.2 52.0 -84.1 -38.1 53.9 52.8 10.4 95 95 A I H >X S+ 0 0 26 -4,-2.2 3,-2.1 1,-0.3 4,-1.8 0.872 100.5 64.4 -67.2 -30.8 53.4 49.3 9.2 96 96 A S T 3< S+ 0 0 18 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.1 0.535 94.9 60.8 -70.4 -1.2 50.7 50.5 6.8 97 97 A T T <4 S+ 0 0 100 -3,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.404 110.5 40.1-101.2 0.3 53.4 52.5 5.0 98 98 A Y T <4 S+ 0 0 166 -3,-2.1 2,-0.2 -4,-0.2 -2,-0.2 0.718 108.4 55.3-113.4 -38.8 55.3 49.4 4.1 99 99 A V < - 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