==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-JUL-06 2HSE . COMPND 2 MOLECULE: ASPARTATE CARBAMOYLTRANSFERASE CATALYTIC CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.WANG,E.R.KANTROWITZ . 915 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38785.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 601 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 89 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 89 9.7 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 . 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 . 75 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 112 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 197 21.5 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 4 3 3 1 3 1 1 1 2 1 0 2 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 1 4 4 5 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 3 3 6 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 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 96 0, 0.0 306,-0.2 0, 0.0 305,-0.1 0.000 360.0 360.0 360.0 106.2 -39.2 -49.5 86.5 2 2 A N > - 0 0 12 304,-1.3 3,-1.4 303,-0.2 305,-0.1 -0.288 360.0 -95.5 -72.2 166.3 -40.9 -52.5 84.9 3 3 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 16,-0.1 0.735 124.8 44.3 -57.1 -23.9 -39.2 -54.1 81.9 4 4 A L T > S+ 0 0 4 302,-0.1 3,-1.9 298,-0.1 302,-0.1 0.453 78.9 130.7-102.0 -3.9 -41.4 -52.1 79.5 5 5 A Y T < S- 0 0 81 -3,-1.4 298,-0.2 1,-0.3 299,-0.2 -0.283 86.1 -5.3 -55.8 129.1 -41.3 -48.7 81.1 6 6 A Q T 3 S+ 0 0 75 297,-2.6 -1,-0.3 1,-0.2 2,-0.2 0.726 101.5 146.0 55.8 28.1 -40.4 -45.9 78.6 7 7 A K < - 0 0 108 -3,-1.9 2,-0.4 295,-0.1 -1,-0.2 -0.554 52.7-121.3 -93.6 156.8 -39.9 -48.5 75.9 8 8 A H - 0 0 66 -2,-0.2 2,-0.6 115,-0.2 117,-0.2 -0.809 20.2-158.9 -92.1 135.6 -40.6 -48.2 72.2 9 9 A I B +a 125 0A 2 115,-2.0 117,-2.7 -2,-0.4 127,-0.2 -0.835 43.7 127.6-117.5 89.5 -43.0 -50.9 71.0 10 10 A I + 0 0 4 -2,-0.6 2,-0.3 1,-0.3 -1,-0.1 0.664 64.7 21.5-120.7 -20.2 -42.4 -51.1 67.3 11 11 A S > - 0 0 2 -3,-0.2 3,-3.5 1,-0.1 -1,-0.3 -0.865 55.3-141.7-156.4 120.3 -41.7 -54.7 66.3 12 12 A I G > S+ 0 0 0 1,-0.3 3,-2.8 -2,-0.3 -1,-0.1 0.781 101.2 72.7 -45.7 -32.2 -42.6 -58.0 67.9 13 13 A N G 3 S+ 0 0 68 1,-0.3 -1,-0.3 -3,-0.1 158,-0.0 0.694 94.7 53.6 -58.5 -17.8 -39.2 -59.3 66.7 14 14 A D G < S+ 0 0 84 -3,-3.5 -1,-0.3 2,-0.1 2,-0.3 0.364 98.2 87.2 -96.7 0.4 -37.7 -57.0 69.4 15 15 A L < - 0 0 22 -3,-2.8 2,-0.3 -4,-0.2 -6,-0.0 -0.721 65.5-140.0-106.4 157.2 -39.9 -58.6 72.2 16 16 A S > - 0 0 42 -2,-0.3 4,-2.1 1,-0.1 3,-0.4 -0.779 32.2-106.9-111.8 157.0 -39.4 -61.6 74.4 17 17 A R H > S+ 0 0 80 -2,-0.3 4,-2.1 1,-0.3 5,-0.2 0.865 125.0 52.7 -45.3 -37.3 -41.8 -64.3 75.5 18 18 A D H > S+ 0 0 117 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.933 103.5 53.7 -67.5 -46.5 -41.5 -62.5 78.9 19 19 A D H > S+ 0 0 32 -3,-0.4 4,-1.8 1,-0.2 -2,-0.2 0.946 111.9 46.2 -52.4 -51.7 -42.4 -59.1 77.5 20 20 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 5,-0.3 0.928 111.5 50.6 -58.0 -48.9 -45.6 -60.5 75.9 21 21 A N H X S+ 0 0 60 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.2 0.841 107.7 54.3 -60.6 -33.2 -46.6 -62.4 79.1 22 22 A L H X S+ 0 0 32 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.908 107.6 50.2 -67.9 -39.6 -46.1 -59.3 81.1 23 23 A V H X S+ 0 0 1 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.975 114.7 41.9 -61.8 -55.3 -48.5 -57.3 78.9 24 24 A L H X S+ 0 0 10 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.887 111.8 56.3 -59.8 -40.6 -51.3 -59.9 79.0 25 25 A A H X S+ 0 0 41 -4,-2.4 4,-1.4 -5,-0.3 -1,-0.2 0.951 111.0 44.7 -55.2 -48.9 -50.7 -60.4 82.8 26 26 A T H X S+ 0 0 4 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.875 106.7 59.0 -62.8 -41.5 -51.2 -56.6 83.2 27 27 A A H X S+ 0 0 0 -4,-2.5 4,-3.6 1,-0.2 5,-0.3 0.947 105.5 49.5 -53.4 -51.9 -54.3 -56.6 80.9 28 28 A A H X S+ 0 0 49 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.869 110.6 50.8 -56.4 -40.1 -56.0 -59.1 83.2 29 29 A K H X S+ 0 0 81 -4,-1.4 4,-4.4 2,-0.2 -2,-0.2 0.974 116.3 39.7 -61.8 -55.7 -55.2 -57.0 86.3 30 30 A L H < S+ 0 0 2 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.854 115.7 51.7 -62.8 -38.0 -56.6 -53.8 84.7 31 31 A K H < S+ 0 0 95 -4,-3.6 -1,-0.2 -5,-0.3 -2,-0.2 0.931 118.3 38.2 -63.8 -43.6 -59.5 -55.7 83.2 32 32 A A H < S+ 0 0 70 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.884 134.1 25.2 -71.8 -43.0 -60.2 -57.2 86.6 33 33 A N S < S- 0 0 101 -4,-4.4 -1,-0.3 -5,-0.2 -2,-0.2 -0.729 81.8-150.6-129.7 86.6 -59.4 -53.9 88.4 34 34 A P - 0 0 85 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.263 0.9-154.8 -55.8 133.2 -59.7 -50.8 86.3 35 35 A Q > - 0 0 55 1,-0.1 3,-2.0 30,-0.1 4,-0.3 -0.729 12.4-176.4-113.3 77.0 -57.3 -48.0 87.4 36 36 A P T 3 S+ 0 0 75 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.630 81.2 35.5 -47.0 -25.7 -59.2 -44.8 86.2 37 37 A E T > S+ 0 0 113 1,-0.1 3,-2.0 30,-0.1 29,-0.1 0.298 76.7 116.5-117.7 9.7 -56.5 -42.4 87.1 38 38 A L T < S+ 0 0 27 -3,-2.0 29,-0.2 1,-0.3 -1,-0.1 0.839 89.5 30.9 -46.9 -39.4 -53.4 -44.4 86.4 39 39 A L T > S+ 0 0 0 27,-3.5 3,-1.2 -4,-0.3 -1,-0.3 -0.069 80.1 152.4-115.1 34.7 -52.3 -41.9 83.7 40 40 A K T < S+ 0 0 108 -3,-2.0 28,-0.2 1,-0.3 3,-0.1 -0.341 70.1 27.1 -60.4 144.0 -53.7 -38.6 85.0 41 41 A H T 3 S+ 0 0 168 26,-0.5 2,-0.4 1,-0.3 -1,-0.3 0.718 94.5 126.6 72.8 22.2 -51.6 -35.7 83.7 42 42 A K < - 0 0 59 -3,-1.2 27,-3.1 25,-0.4 2,-0.5 -0.898 42.0-165.2-112.5 140.6 -50.5 -37.6 80.6 43 43 A V E -b 69 0A 46 -2,-0.4 57,-2.5 25,-0.2 58,-0.6 -0.954 11.0-173.8-126.0 111.5 -50.9 -36.3 77.1 44 44 A I E -bc 70 101A 0 25,-2.1 27,-2.5 -2,-0.5 2,-0.4 -0.852 19.5-132.5-107.7 141.2 -50.5 -38.8 74.3 45 45 A A E -bc 71 102A 2 56,-2.4 58,-2.8 -2,-0.4 2,-0.7 -0.763 10.6-160.5 -90.4 132.4 -50.4 -38.1 70.6 46 46 A S E +bc 72 103A 1 25,-3.1 27,-2.0 -2,-0.4 2,-0.7 -0.905 18.0 179.4-111.2 97.9 -52.6 -40.3 68.4 47 47 A C E +bc 73 104A 2 56,-3.1 58,-2.0 -2,-0.7 2,-0.7 -0.819 7.2 176.1-109.8 99.8 -51.1 -39.9 64.9 48 48 A F E + c 0 105A 1 25,-2.7 58,-0.2 -2,-0.7 4,-0.1 -0.852 12.7 173.0-106.3 107.0 -52.7 -41.8 62.1 49 49 A F S S+ 0 0 18 56,-3.1 2,-0.3 -2,-0.7 57,-0.2 0.284 75.8 39.2 -90.9 10.3 -51.3 -41.2 58.6 50 50 A E S S- 0 0 37 55,-0.3 55,-0.1 56,-0.1 0, 0.0 -0.959 103.0 -67.6-152.7 163.5 -53.5 -44.0 57.3 51 51 A A + 0 0 81 -2,-0.3 2,-0.3 5,-0.0 -2,-0.1 -0.134 51.2 160.7 -63.9 152.2 -57.0 -45.3 57.9 52 52 A S + 0 0 24 22,-0.1 -4,-0.0 -4,-0.1 53,-0.0 -0.893 23.9 164.1-170.0 136.8 -58.2 -46.9 61.1 53 53 A T S > S+ 0 0 87 -2,-0.3 4,-1.9 3,-0.1 5,-0.3 0.664 86.0 30.4-113.2 -66.7 -61.4 -47.8 62.9 54 54 A R H > S+ 0 0 61 1,-0.2 4,-2.7 2,-0.2 5,-0.4 0.965 122.0 41.3 -61.1 -63.3 -60.4 -50.4 65.6 55 55 A T H > S+ 0 0 3 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.863 118.8 45.4 -64.7 -29.8 -56.9 -49.7 66.5 56 56 A R H > S+ 0 0 55 2,-0.2 4,-1.8 3,-0.1 -1,-0.2 0.930 117.5 41.5 -78.2 -42.7 -57.3 -45.9 66.6 57 57 A L H X S+ 0 0 87 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.917 116.6 47.9 -70.3 -40.7 -60.6 -45.7 68.5 58 58 A S H X S+ 0 0 9 -4,-2.7 4,-3.0 -5,-0.3 5,-0.2 0.959 110.9 52.3 -63.9 -46.6 -59.6 -48.5 71.1 59 59 A F H X S+ 0 0 0 -4,-1.5 4,-2.1 -5,-0.4 -1,-0.2 0.919 113.8 43.2 -54.6 -45.9 -56.2 -46.8 71.7 60 60 A E H X S+ 0 0 34 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.877 111.5 52.7 -68.7 -37.7 -57.9 -43.5 72.4 61 61 A T H X S+ 0 0 53 -4,-2.6 4,-2.4 1,-0.2 3,-0.2 0.940 108.8 52.6 -63.1 -41.3 -60.6 -45.0 74.5 62 62 A S H X S+ 0 0 0 -4,-3.0 4,-0.8 1,-0.2 6,-0.2 0.932 104.7 53.9 -56.8 -50.7 -57.8 -46.7 76.5 63 63 A M H <>S+ 0 0 0 -4,-2.1 5,-3.1 1,-0.2 3,-0.4 0.851 113.3 43.3 -55.4 -36.7 -56.0 -43.5 77.1 64 64 A H H ><5S+ 0 0 105 -4,-1.6 3,-1.6 -3,-0.2 -1,-0.2 0.836 106.8 60.4 -77.6 -32.6 -59.2 -42.0 78.5 65 65 A R H 3<5S+ 0 0 160 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.583 110.3 43.0 -69.7 -9.7 -60.0 -45.1 80.5 66 66 A L T 3<5S- 0 0 0 -4,-0.8 -27,-3.5 -3,-0.4 -1,-0.3 0.190 123.3-104.8-117.1 9.0 -56.7 -44.5 82.3 67 67 A G T < 5S+ 0 0 21 -3,-1.6 -26,-0.5 1,-0.3 -25,-0.4 0.556 74.3 136.8 80.6 8.4 -57.2 -40.8 82.7 68 68 A A < - 0 0 3 -5,-3.1 2,-0.3 -6,-0.2 -1,-0.3 -0.572 48.1-133.3 -86.9 153.2 -54.8 -39.6 80.0 69 69 A S E -b 43 0A 63 -27,-3.1 -25,-2.1 -30,-0.2 2,-0.4 -0.769 22.9-140.4-103.2 154.0 -55.8 -36.8 77.6 70 70 A V E +b 44 0A 35 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.909 21.5 175.3-125.4 145.5 -55.2 -37.1 73.9 71 71 A V E +b 45 0A 75 -27,-2.5 -25,-3.1 -2,-0.4 2,-0.3 -0.951 33.5 83.9-135.7 156.4 -54.1 -35.0 70.9 72 72 A G E -b 46 0A 51 -2,-0.3 2,-0.3 -27,-0.3 -25,-0.2 -1.000 57.8 -88.7 154.5-154.7 -53.5 -35.9 67.2 73 73 A F E -b 47 0A 48 -27,-2.0 -25,-2.7 -2,-0.3 3,-0.1 -0.988 2.0-154.1-158.0 153.3 -55.0 -36.5 63.8 74 74 A S S S+ 0 0 64 -2,-0.3 2,-0.4 1,-0.2 -22,-0.1 0.411 89.9 45.6-111.0 1.1 -56.6 -39.3 61.8 75 75 A D > - 0 0 89 -26,-0.1 3,-0.7 -24,-0.1 -1,-0.2 -0.995 65.7-153.8-143.7 129.8 -55.8 -37.8 58.5 76 76 A S G > S+ 0 0 28 -2,-0.4 3,-1.4 1,-0.2 6,-0.4 0.503 76.2 93.7 -86.7 0.6 -52.4 -36.3 57.5 77 77 A A G 3 S+ 0 0 36 1,-0.3 -1,-0.2 5,-0.1 -28,-0.0 0.661 88.8 43.5 -67.2 -15.6 -53.9 -34.0 54.9 78 78 A N G < S+ 0 0 136 -3,-0.7 -1,-0.3 4,-0.1 2,-0.2 0.215 94.2 92.0-116.3 17.3 -54.2 -31.2 57.3 79 79 A T S <> S- 0 0 24 -3,-1.4 4,-1.2 1,-0.1 5,-0.2 -0.468 92.0-105.2 -95.2 175.8 -50.9 -31.4 59.1 80 80 A S H >>S+ 0 0 48 1,-0.2 4,-2.5 2,-0.2 6,-1.4 0.795 122.5 60.9 -72.7 -27.4 -47.8 -29.4 57.9 81 81 A L H 45S+ 0 0 40 4,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.839 107.3 47.7 -66.3 -30.2 -46.4 -32.7 56.4 82 82 A G H 45S+ 0 0 33 -6,-0.4 -2,-0.2 -3,-0.1 -1,-0.2 0.792 129.1 15.0 -82.9 -28.5 -49.5 -32.8 54.3 83 83 A K H <5S+ 0 0 154 -4,-1.2 -2,-0.2 -7,-0.1 -3,-0.2 0.659 128.7 41.6-121.0 -17.8 -49.7 -29.2 52.9 84 84 A K T <5S- 0 0 169 -4,-2.5 -3,-0.2 -5,-0.2 -4,-0.1 0.395 104.4-110.1-112.9 0.8 -46.3 -27.6 53.5 85 85 A G < + 0 0 65 -5,-0.5 -4,-0.2 -4,-0.3 -3,-0.1 0.676 54.1 167.5 81.0 21.5 -44.0 -30.4 52.6 86 86 A E - 0 0 57 -6,-1.4 -1,-0.2 1,-0.1 -2,-0.0 -0.392 34.2-120.0 -70.6 142.9 -42.6 -31.2 56.1 87 87 A T > - 0 0 43 1,-0.1 4,-1.5 -2,-0.1 -1,-0.1 -0.300 18.0-120.3 -73.7 167.3 -40.7 -34.4 56.5 88 88 A L H > S+ 0 0 1 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.754 112.7 61.5 -78.5 -26.9 -41.9 -37.0 59.0 89 89 A A H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.949 107.9 41.9 -64.0 -48.5 -38.6 -36.7 60.9 90 90 A D H > S+ 0 0 83 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.893 110.2 58.9 -65.1 -37.8 -39.4 -33.0 61.6 91 91 A T H X S+ 0 0 6 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.886 111.3 41.4 -58.8 -38.5 -43.0 -33.9 62.4 92 92 A I H X S+ 0 0 2 -4,-2.0 4,-3.1 2,-0.2 -1,-0.2 0.893 109.0 59.0 -77.2 -39.1 -41.8 -36.2 65.1 93 93 A S H < S+ 0 0 42 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.921 112.9 38.3 -57.9 -44.7 -39.1 -33.9 66.4 94 94 A V H >< S+ 0 0 62 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 0.934 116.3 50.6 -74.9 -41.4 -41.7 -31.2 67.2 95 95 A I H >X S+ 0 0 22 -4,-1.7 3,-2.9 -5,-0.3 4,-1.5 0.920 100.8 62.1 -61.8 -40.3 -44.4 -33.5 68.4 96 96 A S T 3< S+ 0 0 24 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.576 94.7 67.7 -61.4 -4.8 -42.0 -35.3 70.8 97 97 A T T <4 S+ 0 0 106 -3,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.440 107.9 33.6 -92.0 -3.7 -41.7 -31.8 72.4 98 98 A Y T <4 S+ 0 0 158 -3,-2.9 2,-0.2 -4,-0.1 -2,-0.2 0.697 107.4 59.2-121.7 -35.6 -45.4 -31.9 73.6 99 99 A V < - 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