==== 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 30-JUL-05 2AIR . COMPND 2 MOLECULE: ASPARTATE CARBAMOYLTRANSFERASE CATALYTIC CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.HUANG,W.N.LIPSCOMB . 928 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43921.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 617 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 94 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 7.8 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 . 2 0.2 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 . 78 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 116 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 214 23.1 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 2 2 1 2 5 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 . 7 0 2 4 6 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 1 4 1 4 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 1 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 85 0, 0.0 306,-0.2 0, 0.0 305,-0.1 0.000 360.0 360.0 360.0 -68.4 86.1 51.3 26.0 2 2 A N > - 0 0 18 304,-2.3 3,-2.1 303,-0.2 305,-0.0 -0.358 360.0-108.1 -69.0 150.9 87.8 48.8 23.8 3 3 A P T 3 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 16,-0.1 0.721 117.5 44.5 -48.1 -32.6 89.9 50.2 20.9 4 4 A L T > S+ 0 0 10 302,-0.1 3,-2.0 15,-0.1 2,-0.1 0.396 78.8 131.9 -99.6 3.6 87.4 49.0 18.2 5 5 A Y T < S- 0 0 56 -3,-2.1 298,-0.2 1,-0.3 299,-0.2 -0.364 87.0 -6.0 -59.6 127.6 84.3 50.2 20.0 6 6 A Q T 3 S+ 0 0 78 297,-2.6 -1,-0.3 1,-0.2 2,-0.2 0.605 102.5 137.2 62.6 15.2 82.1 52.1 17.5 7 7 A K < - 0 0 114 -3,-2.0 2,-0.4 116,-0.1 -1,-0.2 -0.575 58.0-113.6 -91.2 155.3 84.8 52.0 14.8 8 8 A H - 0 0 65 -2,-0.2 2,-0.8 115,-0.1 3,-0.2 -0.711 19.2-150.8 -86.2 137.3 84.2 51.2 11.1 9 9 A I B +a 125 0A 3 115,-1.9 117,-3.1 -2,-0.4 127,-0.1 -0.822 46.4 131.2-109.5 90.6 85.6 47.9 9.9 10 10 A I + 0 0 9 -2,-0.8 2,-0.4 1,-0.3 -1,-0.2 0.822 61.4 25.7-109.3 -45.9 86.3 48.6 6.2 11 11 A S > - 0 0 1 -3,-0.2 3,-2.0 123,-0.1 4,-0.3 -0.984 59.8-137.8-128.9 137.1 89.9 47.6 5.2 12 12 A I G > S+ 0 0 4 -2,-0.4 3,-1.0 1,-0.3 -1,-0.1 0.784 106.4 64.8 -59.7 -23.7 92.2 45.0 6.7 13 13 A N G 3 S+ 0 0 75 1,-0.3 -1,-0.3 -3,-0.0 158,-0.0 0.647 90.7 60.8 -74.2 -16.6 94.9 47.6 6.3 14 14 A D G < S+ 0 0 93 -3,-2.0 2,-0.6 2,-0.1 -1,-0.3 0.472 88.8 95.2 -86.6 -2.5 93.3 50.0 8.8 15 15 A L < - 0 0 7 -3,-1.0 2,-0.1 -4,-0.3 -6,-0.0 -0.812 67.8-149.6 -97.0 119.7 93.8 47.3 11.3 16 16 A S > - 0 0 47 -2,-0.6 4,-2.3 1,-0.1 5,-0.2 -0.297 32.9 -99.5 -77.2 166.5 96.9 47.5 13.4 17 17 A R H > S+ 0 0 80 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.901 125.8 50.3 -52.9 -46.3 98.7 44.4 14.8 18 18 A D H > S+ 0 0 118 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.864 106.9 55.3 -62.8 -37.0 97.0 44.9 18.2 19 19 A D H > S+ 0 0 28 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.952 108.3 47.9 -60.8 -48.8 93.6 45.2 16.5 20 20 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.930 113.4 47.8 -57.6 -46.0 94.1 41.8 14.8 21 21 A N H X S+ 0 0 62 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.926 111.8 50.2 -60.9 -45.3 95.2 40.3 18.1 22 22 A L H X S+ 0 0 37 -4,-3.1 4,-2.6 2,-0.2 5,-0.2 0.932 112.3 46.3 -59.4 -48.5 92.2 41.8 19.9 23 23 A V H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.960 115.9 46.0 -59.1 -50.5 89.8 40.5 17.3 24 24 A L H X S+ 0 0 0 -4,-2.9 4,-1.9 -5,-0.2 -2,-0.2 0.872 112.5 49.8 -61.3 -39.1 91.4 37.0 17.4 25 25 A A H X S+ 0 0 38 -4,-3.1 4,-2.1 -5,-0.2 -1,-0.2 0.938 112.3 47.9 -65.2 -46.0 91.5 36.9 21.2 26 26 A T H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 5,-0.3 0.922 109.1 54.6 -59.5 -44.8 87.8 37.9 21.4 27 27 A A H X S+ 0 0 0 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.889 108.7 47.7 -57.1 -42.7 86.9 35.3 18.8 28 28 A A H X S+ 0 0 41 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.902 111.3 51.1 -66.9 -40.6 88.6 32.5 20.8 29 29 A K H X S+ 0 0 63 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.881 110.9 46.8 -63.9 -42.4 86.9 33.7 24.0 30 30 A L H < S+ 0 0 1 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.797 110.5 54.9 -70.8 -27.4 83.4 33.7 22.4 31 31 A K H < S+ 0 0 70 -4,-1.4 -2,-0.2 -5,-0.3 -1,-0.2 0.867 112.8 41.3 -72.3 -35.6 84.2 30.3 21.0 32 32 A A H < S+ 0 0 71 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.805 132.8 19.7 -80.6 -33.0 85.0 28.9 24.4 33 33 A N S < S- 0 0 98 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.1 -0.790 81.3-146.5-143.1 95.5 82.1 30.6 26.2 34 34 A P - 0 0 92 0, 0.0 -3,-0.1 0, 0.0 32,-0.1 -0.196 3.2-156.7 -59.0 150.2 79.1 31.9 24.1 35 35 A Q > + 0 0 64 30,-0.2 3,-1.4 1,-0.1 4,-0.3 -0.729 14.1 177.6-131.7 79.0 77.3 35.0 25.1 36 36 A P T 3 S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.497 79.6 40.8 -58.6 -13.5 73.8 34.7 23.5 37 37 A E T > S+ 0 0 127 1,-0.1 3,-1.7 2,-0.1 4,-0.2 0.291 78.0 109.1-121.9 7.3 72.4 37.9 24.9 38 38 A L T < S+ 0 0 41 -3,-1.4 3,-0.2 1,-0.3 29,-0.2 0.869 94.9 27.1 -51.8 -43.3 75.4 40.2 24.5 39 39 A L T > S+ 0 0 3 27,-3.5 3,-3.0 -4,-0.3 30,-0.3 0.075 84.5 144.3-109.6 24.1 73.7 42.2 21.7 40 40 A K T < S+ 0 0 120 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.742 72.7 31.7 -26.2 -64.0 70.2 41.5 22.9 41 41 A H T 3 S+ 0 0 157 -4,-0.2 -1,-0.3 -3,-0.2 2,-0.2 0.225 95.2 112.2 -92.7 17.1 68.5 44.8 22.1 42 42 A K < - 0 0 79 -3,-3.0 27,-2.7 57,-0.0 2,-0.5 -0.584 51.7-153.9 -88.5 150.7 70.6 45.7 19.0 43 43 A V E -b 69 0A 50 -2,-0.2 57,-3.0 25,-0.2 58,-0.8 -0.988 14.5-167.3-126.2 120.7 69.2 45.7 15.5 44 44 A I E -bc 70 101A 0 25,-3.2 27,-2.1 -2,-0.5 2,-0.5 -0.877 15.0-135.6-114.3 141.6 71.6 45.1 12.7 45 45 A A E -bc 71 102A 2 56,-2.8 58,-2.9 -2,-0.4 2,-0.8 -0.818 8.2-163.1 -97.3 126.7 71.2 45.6 8.9 46 46 A S E -bc 72 103A 0 25,-3.1 27,-1.9 -2,-0.5 2,-0.9 -0.875 17.2-179.4-106.0 95.7 72.5 42.9 6.6 47 47 A C E +bc 73 104A 0 56,-3.3 58,-2.3 -2,-0.8 2,-1.2 -0.771 10.0 177.0-104.4 92.2 72.7 44.8 3.3 48 48 A F E +bc 74 105A 0 25,-3.0 27,-0.6 -2,-0.9 28,-0.2 -0.726 8.4 170.2 -97.3 91.0 73.9 42.6 0.5 49 49 A F S S+ 0 0 32 56,-2.3 2,-0.5 -2,-1.2 57,-0.2 0.805 82.8 43.7 -64.5 -27.4 73.7 44.9 -2.5 50 50 A E S S- 0 0 62 55,-0.7 -1,-0.2 -3,-0.2 25,-0.1 -0.982 103.6-114.5-119.4 125.8 75.5 42.0 -4.1 51 51 A A + 0 0 33 -2,-0.5 -2,-0.1 23,-0.1 23,-0.0 -0.334 43.9 158.6 -61.5 137.6 74.3 38.5 -3.3 52 52 A S > - 0 0 1 879,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.406 12.9-177.6-162.3 73.8 76.7 36.3 -1.3 53 53 A T H > S+ 0 0 77 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.814 77.4 48.3 -42.4 -53.0 74.7 33.6 0.4 54 54 A R H > S+ 0 0 60 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.959 118.0 37.5 -62.0 -54.0 77.5 31.9 2.3 55 55 A T H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.814 117.5 54.9 -69.9 -25.7 79.1 35.0 3.8 56 56 A R H X S+ 0 0 62 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.966 110.0 43.4 -70.0 -51.8 75.7 36.4 4.3 57 57 A L H X S+ 0 0 90 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.867 114.7 52.4 -61.0 -34.7 74.4 33.5 6.3 58 58 A S H X S+ 0 0 15 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.924 112.1 44.6 -65.9 -45.1 77.7 33.4 8.2 59 59 A F H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.948 115.4 47.2 -64.4 -48.3 77.3 37.1 9.1 60 60 A E H X S+ 0 0 37 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.844 109.2 53.3 -64.3 -35.0 73.7 36.8 10.0 61 61 A T H X S+ 0 0 58 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.906 106.5 54.0 -66.2 -40.6 74.2 33.6 12.1 62 62 A S H X S+ 0 0 0 -4,-1.8 4,-0.8 1,-0.2 -2,-0.2 0.918 107.5 51.1 -57.4 -45.0 76.9 35.6 14.0 63 63 A M H ><>S+ 0 0 0 -4,-1.8 5,-1.7 1,-0.2 3,-1.1 0.950 111.7 45.5 -58.7 -51.1 74.4 38.3 14.7 64 64 A H H ><5S+ 0 0 108 -4,-2.3 3,-1.9 1,-0.3 -1,-0.2 0.863 105.0 60.7 -62.9 -36.8 71.8 35.9 16.1 65 65 A R H 3<5S+ 0 0 161 -4,-2.6 -1,-0.3 1,-0.3 -30,-0.2 0.692 106.9 48.0 -65.1 -16.7 74.3 34.0 18.2 66 66 A L T <<5S- 0 0 0 -3,-1.1 -27,-3.5 -4,-0.8 -1,-0.3 0.327 121.8-110.3-102.0 4.8 74.9 37.3 20.1 67 67 A G T < 5S+ 0 0 22 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.420 70.5 139.0 84.9 -2.0 71.2 37.9 20.4 68 68 A A < - 0 0 3 -5,-1.7 2,-0.3 -6,-0.2 -1,-0.2 -0.288 50.3-119.6 -75.1 161.3 70.8 40.8 18.0 69 69 A S E -b 43 0A 66 -27,-2.7 -25,-3.2 -30,-0.3 2,-0.4 -0.684 24.7-145.3 -97.8 156.5 68.0 41.3 15.5 70 70 A V E +b 44 0A 36 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.981 22.2 168.0-132.0 133.0 68.5 41.4 11.8 71 71 A V E +b 45 0A 77 -27,-2.1 -25,-3.1 -2,-0.4 2,-0.3 -0.904 31.0 108.3-128.4 157.7 66.8 43.3 8.9 72 72 A G E -b 46 0A 48 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.996 46.2-116.0 164.5-168.1 68.2 43.5 5.4 73 73 A F E -b 47 0A 55 -27,-1.9 -25,-3.0 -2,-0.3 2,-0.6 -0.965 13.0-145.7-164.9 146.5 68.1 42.5 1.7 74 74 A S E -b 48 0A 27 -2,-0.3 2,-3.7 -27,-0.2 -25,-0.2 -0.780 29.7-168.3-111.0 72.1 70.2 40.6 -0.8 75 75 A D + 0 0 22 -2,-0.6 2,-4.4 -27,-0.6 4,-0.3 0.041 28.5 152.7 -61.7 37.9 69.0 43.1 -3.4 76 76 A S S S- 0 0 60 -2,-3.7 -1,-0.2 1,-0.3 -26,-0.1 -0.208 91.6 -53.4 -65.4 53.2 70.5 40.8 -5.9 77 77 A A S S+ 0 0 89 -2,-4.4 -1,-0.3 -28,-0.2 -2,-0.1 0.823 127.3 95.1 76.8 34.1 67.9 42.2 -8.3 78 78 A N + 0 0 112 -4,-0.1 2,-0.3 0, 0.0 -2,-0.2 -0.108 63.9 74.2-147.9 42.6 64.9 41.5 -6.0 79 79 A T S S- 0 0 49 -4,-0.3 2,-3.0 -6,-0.1 -6,-0.0 -0.958 95.4 -95.9-148.5 156.7 64.2 44.7 -4.0 80 80 A S - 0 0 131 -2,-0.3 3,-0.2 3,-0.0 -5,-0.0 -0.072 66.1-177.3 -70.1 43.3 62.7 48.1 -5.0 81 81 A L - 0 0 70 -2,-3.0 2,-0.5 1,-0.2 5,-0.1 0.053 44.8 -78.7 -40.4 148.5 66.3 49.0 -5.4 82 82 A G - 0 0 26 1,-0.2 2,-4.4 4,-0.1 -1,-0.2 -0.432 51.0-119.3 -56.8 108.8 67.0 52.6 -6.4 83 83 A K - 0 0 180 -2,-0.5 -1,-0.2 1,-0.3 -2,-0.0 -0.170 67.6 -68.4 -52.8 65.8 66.2 52.2 -10.1 84 84 A K S S+ 0 0 199 -2,-4.4 -1,-0.3 1,-0.1 -2,-0.1 0.779 133.3 87.2 47.3 28.2 69.8 53.2 -10.8 85 85 A G + 0 0 53 1,-0.1 -1,-0.1 2,-0.1 -3,-0.1 0.723 61.7 71.6-114.0 -70.9 68.6 56.6 -9.5 86 86 A E S S- 0 0 100 1,-0.1 -1,-0.1 -5,-0.1 -4,-0.1 -0.267 82.0-124.8 -54.7 129.4 68.9 56.8 -5.7 87 87 A T > - 0 0 31 1,-0.1 4,-1.9 -3,-0.1 5,-0.1 -0.289 14.6-117.7 -74.0 160.3 72.5 57.1 -4.7 88 88 A L H > S+ 0 0 10 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.876 116.6 61.8 -64.7 -35.3 74.2 54.7 -2.2 89 89 A A H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.952 105.3 43.9 -53.6 -54.6 74.7 57.8 -0.1 90 90 A D H > S+ 0 0 87 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.879 110.9 55.0 -59.8 -41.0 71.0 58.4 0.2 91 91 A T H X S+ 0 0 24 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.941 113.0 42.5 -58.5 -44.8 70.3 54.7 0.9 92 92 A I H X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 -2,-0.2 0.863 107.9 58.2 -69.2 -39.4 72.8 54.8 3.8 93 93 A S H < S+ 0 0 47 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.792 114.2 41.0 -61.9 -27.7 71.6 58.1 5.2 94 94 A V H >< S+ 0 0 60 -4,-1.5 3,-2.1 -3,-0.2 4,-0.4 0.944 116.9 45.3 -83.5 -55.9 68.1 56.5 5.5 95 95 A I H >X S+ 0 0 21 -4,-2.7 3,-1.7 1,-0.3 4,-1.6 0.844 103.0 65.3 -57.6 -36.6 69.2 53.1 6.7 96 96 A S T 3< S+ 0 0 14 -4,-3.2 -1,-0.3 1,-0.3 24,-0.2 0.591 98.1 56.3 -65.5 -6.8 71.6 54.6 9.3 97 97 A T T <4 S+ 0 0 103 -3,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.597 108.3 47.3 -96.5 -13.3 68.6 56.1 11.1 98 98 A Y T <4 S+ 0 0 168 -3,-1.7 -2,-0.2 -4,-0.4 2,-0.2 0.844 110.0 40.1 -92.4 -42.7 66.9 52.7 11.5 99 99 A V < - 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