==== 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 (CARBAMOYL-P,ASPARTATE) 26-APR-90 5AT1 . COMPND 2 MOLECULE: ASPARTATE CARBAMOYLTRANSFERASE (T STATE), CATALYT . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.C.STEVENS,J.E.GOUAUX,W.N.LIPSCOMB . 912 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40277.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 649 71.2 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 . 88 9.6 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 . 2 0.2 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 . 2 0.2 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 . 93 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 124 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 208 22.8 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+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 3 1 3 0 5 2 2 0 2 0 0 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 3 3 7 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 . 1 0 3 2 5 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 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 70 0, 0.0 306,-0.2 0, 0.0 305,-0.1 0.000 360.0 360.0 360.0 149.0 37.6 46.7 -8.9 2 2 A N > - 0 0 26 304,-2.8 3,-1.2 303,-0.4 305,-0.0 -0.174 360.0-102.9 -65.9 164.3 36.2 43.8 -6.8 3 3 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 16,-0.1 0.899 118.6 43.8 -50.3 -46.1 33.9 44.6 -3.7 4 4 A L T > S+ 0 0 0 15,-0.1 3,-1.7 2,-0.1 2,-0.2 0.297 78.9 138.1 -90.2 10.3 36.7 44.0 -1.1 5 5 A Y T < S- 0 0 52 -3,-1.2 298,-0.2 1,-0.3 299,-0.2 -0.360 84.7 -12.6 -68.1 129.3 39.5 45.8 -2.9 6 6 A Q T 3 S+ 0 0 93 297,-2.6 -1,-0.3 1,-0.2 2,-0.2 0.594 103.9 138.9 52.9 19.7 41.7 47.9 -0.5 7 7 A K < - 0 0 86 -3,-1.7 2,-0.5 116,-0.1 -1,-0.2 -0.562 58.9-115.2 -92.6 145.9 38.9 47.4 2.1 8 8 A H - 0 0 56 -2,-0.2 2,-1.1 -3,-0.1 117,-0.2 -0.747 19.1-148.5 -82.2 118.8 39.7 46.6 5.8 9 9 A I B +a 125 0A 1 115,-1.0 117,-1.8 -2,-0.5 127,-0.1 -0.796 45.4 136.1 -88.6 101.9 38.6 43.1 6.9 10 10 A I + 0 0 1 -2,-1.1 2,-0.3 1,-0.3 -1,-0.2 0.738 59.0 19.4-116.7 -31.7 37.8 43.7 10.6 11 11 A S - 0 0 0 1,-0.2 3,-0.5 123,-0.1 -1,-0.3 -0.996 52.6-138.8-143.8 145.8 34.6 42.0 11.6 12 12 A I S > S+ 0 0 0 -2,-0.3 3,-2.3 1,-0.2 -1,-0.2 0.942 109.8 61.6 -60.9 -38.8 32.3 39.2 10.3 13 13 A N T 3 S+ 0 0 65 1,-0.3 -1,-0.2 -3,-0.1 120,-0.0 0.823 99.5 52.2 -55.2 -41.0 29.5 41.5 11.2 14 14 A D T 3 S+ 0 0 75 -3,-0.5 2,-0.4 2,-0.1 -1,-0.3 0.413 95.6 84.0 -75.0 -3.6 30.7 44.3 8.7 15 15 A L S < S- 0 0 5 -3,-2.3 2,-0.1 -4,-0.3 -6,-0.0 -0.875 75.2-134.7-108.7 138.5 30.8 41.8 5.7 16 16 A S >> - 0 0 52 -2,-0.4 4,-2.5 1,-0.1 3,-0.6 -0.480 27.8-102.0 -84.1 163.1 27.6 41.1 3.8 17 17 A R H 3> S+ 0 0 87 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.878 125.7 52.1 -49.6 -36.2 26.2 37.7 2.6 18 18 A D H 3> S+ 0 0 120 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.893 107.7 49.9 -75.6 -33.9 27.6 38.6 -0.8 19 19 A D H <> S+ 0 0 13 -3,-0.6 4,-2.8 2,-0.2 -2,-0.2 0.930 109.0 52.2 -66.6 -43.9 31.1 39.4 0.5 20 20 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.954 112.6 46.7 -55.2 -47.5 31.2 36.1 2.4 21 21 A N H X S+ 0 0 49 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.828 109.4 51.7 -65.5 -38.4 30.3 34.3 -0.8 22 22 A L H X S+ 0 0 44 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.894 110.4 50.5 -65.7 -40.0 32.7 36.2 -2.9 23 23 A V H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.978 112.4 46.8 -62.4 -51.5 35.4 35.2 -0.4 24 24 A L H X S+ 0 0 2 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.822 111.4 50.5 -62.7 -31.1 34.4 31.6 -0.5 25 25 A A H X S+ 0 0 51 -4,-2.0 4,-1.9 2,-0.2 3,-0.4 0.989 111.5 47.5 -71.5 -50.1 34.3 31.5 -4.3 26 26 A T H X S+ 0 0 5 -4,-2.3 4,-2.6 1,-0.3 5,-0.2 0.895 111.1 52.4 -50.7 -48.4 37.7 33.0 -4.7 27 27 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.3 -1,-0.3 0.851 106.4 51.4 -55.7 -43.2 39.1 30.6 -2.2 28 28 A A H X S+ 0 0 43 -4,-1.6 4,-1.5 -3,-0.4 -1,-0.3 0.849 111.5 50.1 -69.9 -29.1 37.7 27.6 -4.0 29 29 A K H X S+ 0 0 77 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.969 110.1 46.9 -70.2 -52.2 39.4 28.9 -7.2 30 30 A L H < S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.785 108.9 57.8 -58.1 -34.6 42.9 29.5 -5.7 31 31 A K H < S+ 0 0 77 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.951 113.9 36.4 -60.0 -49.5 42.6 26.1 -4.1 32 32 A A H < S+ 0 0 73 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.1 0.892 131.8 26.2 -71.2 -42.4 42.1 24.4 -7.5 33 33 A N S < S- 0 0 93 -4,-3.0 -1,-0.3 -5,-0.1 2,-0.3 -0.946 84.9-149.5-128.3 97.5 44.4 26.6 -9.6 34 34 A P - 0 0 79 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.556 5.6-158.3 -69.0 130.3 47.1 28.1 -7.4 35 35 A Q > + 0 0 59 -2,-0.3 3,-0.9 1,-0.1 -5,-0.0 -0.809 15.1 178.4-109.8 94.6 48.4 31.5 -8.5 36 36 A P T 3 S+ 0 0 78 0, 0.0 30,-0.1 0, 0.0 -1,-0.1 0.372 73.5 41.8 -77.3 0.7 51.8 31.5 -6.8 37 37 A E T > S+ 0 0 136 28,-0.1 3,-0.7 3,-0.1 30,-0.1 0.043 77.4 109.9-138.1 30.7 53.1 34.9 -7.9 38 38 A L T < S+ 0 0 45 -3,-0.9 29,-0.2 1,-0.2 28,-0.1 0.928 86.8 37.3 -73.8 -46.8 50.0 37.1 -7.6 39 39 A L T > S+ 0 0 0 27,-2.7 3,-2.4 24,-0.2 30,-0.3 0.190 86.1 152.8 -93.5 24.6 51.2 39.2 -4.6 40 40 A K T < + 0 0 94 -3,-0.7 28,-0.2 1,-0.3 3,-0.1 -0.338 68.1 16.4 -60.8 128.8 54.7 39.2 -6.1 41 41 A H T 3 S+ 0 0 150 26,-0.5 -1,-0.3 1,-0.4 2,-0.2 0.320 95.7 117.9 85.1 -1.7 56.5 42.4 -4.9 42 42 A K < - 0 0 65 -3,-2.4 27,-2.2 25,-0.3 2,-0.5 -0.653 52.7-151.2 -83.2 152.3 54.1 43.2 -2.1 43 43 A V E -b 69 0A 46 -2,-0.2 57,-2.3 25,-0.2 58,-0.5 -0.992 13.8-164.6-118.4 129.4 55.7 43.1 1.5 44 44 A I E -b 70 0A 0 25,-3.1 27,-2.3 -2,-0.5 2,-0.5 -0.920 13.0-136.6-117.5 144.9 53.2 42.2 4.1 45 45 A A E -bc 71 102A 2 56,-2.2 58,-2.6 -2,-0.4 2,-0.7 -0.868 7.6-160.1 -98.0 132.0 53.6 42.8 7.8 46 46 A S E -bc 72 103A 0 25,-2.8 27,-2.2 -2,-0.5 2,-1.0 -0.858 17.1-178.4-114.7 90.6 52.6 39.9 10.1 47 47 A C E +bc 73 104A 3 56,-2.8 58,-1.8 -2,-0.7 2,-1.1 -0.712 9.0 173.2 -95.0 85.3 52.2 41.8 13.4 48 48 A F E + c 0 105A 0 25,-3.2 58,-0.2 -2,-1.0 28,-0.1 -0.768 8.3 169.5 -92.5 95.8 51.3 39.3 16.2 49 49 A F S S+ 0 0 26 56,-2.7 27,-2.1 -2,-1.1 2,-0.4 0.674 84.9 40.0 -77.6 -15.3 51.4 41.4 19.4 50 50 A E S S- 0 0 50 55,-0.7 2,-0.3 25,-0.2 55,-0.2 -0.959 102.2-126.5-119.3 139.2 49.7 38.3 20.9 51 51 A A + 0 0 46 -2,-0.4 2,-0.3 23,-0.2 23,-0.1 -0.731 37.3 160.2-101.7 146.1 51.2 35.1 19.6 52 52 A S > - 0 0 26 -2,-0.3 4,-1.4 1,-0.1 5,-0.1 -0.858 19.7-162.4-151.6 115.8 49.4 32.1 17.9 53 53 A T H > S+ 0 0 94 -2,-0.3 4,-3.6 2,-0.2 5,-0.3 0.963 87.2 52.3 -76.3 -43.7 51.6 29.9 15.8 54 54 A R H > S+ 0 0 114 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.933 115.7 41.1 -52.6 -54.3 48.9 28.1 13.8 55 55 A T H > S+ 0 0 14 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.885 117.4 48.3 -61.6 -40.5 47.2 31.4 12.7 56 56 A R H X S+ 0 0 56 -4,-1.4 4,-2.6 1,-0.2 5,-0.3 0.911 114.8 44.4 -70.2 -37.4 50.5 33.0 12.1 57 57 A L H X S+ 0 0 94 -4,-3.6 4,-1.4 2,-0.2 -2,-0.2 0.804 112.9 52.4 -84.2 -22.9 51.8 30.0 10.1 58 58 A S H X S+ 0 0 14 -4,-2.4 4,-2.6 -5,-0.3 -2,-0.2 0.981 116.1 41.2 -69.5 -43.4 48.4 29.8 8.2 59 59 A F H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.877 115.9 45.8 -72.5 -45.4 48.7 33.5 7.3 60 60 A Q H X S+ 0 0 36 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.859 113.5 50.7 -69.1 -33.7 52.4 33.6 6.4 61 61 A T H X S+ 0 0 51 -4,-1.4 4,-3.5 -5,-0.3 -2,-0.2 0.950 109.3 52.5 -69.1 -42.5 52.1 30.4 4.4 62 62 A S H < S+ 0 0 0 -4,-2.6 4,-0.3 2,-0.2 -2,-0.2 0.919 111.1 46.8 -52.0 -48.6 49.1 32.1 2.6 63 63 A M H ><>S+ 0 0 0 -4,-2.4 5,-1.9 1,-0.2 3,-1.6 0.972 116.7 42.8 -59.8 -52.5 51.3 35.2 1.8 64 64 A H H ><5S+ 0 0 107 -4,-2.8 3,-2.5 1,-0.3 -2,-0.2 0.903 105.0 63.0 -62.7 -36.9 54.1 33.0 0.6 65 65 A R T 3<5S+ 0 0 157 -4,-3.5 -1,-0.3 1,-0.3 -2,-0.2 0.559 110.9 41.7 -65.0 -5.4 51.7 30.7 -1.4 66 66 A L T < 5S- 0 0 0 -3,-1.6 -27,-2.7 -4,-0.3 -1,-0.3 0.015 125.1-104.4-127.2 14.0 50.9 33.9 -3.4 67 67 A G T < 5 + 0 0 27 -3,-2.5 -26,-0.5 1,-0.2 2,-0.3 0.801 68.9 144.2 67.1 37.8 54.5 35.0 -3.6 68 68 A A < - 0 0 2 -5,-1.9 2,-0.3 -28,-0.2 -1,-0.2 -0.787 46.5-123.3-106.2 150.2 54.5 37.9 -1.1 69 69 A S E -b 43 0A 64 -27,-2.2 -25,-3.1 -2,-0.3 2,-0.3 -0.604 26.3-150.6 -86.1 150.3 57.4 38.9 1.2 70 70 A V E +b 44 0A 35 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.899 19.4 176.4-124.7 143.1 56.7 39.0 4.9 71 71 A V E +b 45 0A 74 -27,-2.3 -25,-2.8 -2,-0.3 2,-0.3 -0.968 33.9 108.0-131.3 147.7 58.2 41.1 7.7 72 72 A G E -b 46 0A 51 -2,-0.3 2,-0.3 -27,-0.3 -25,-0.2 -0.993 44.6-122.9 176.0-165.1 56.8 40.8 11.3 73 73 A F E -b 47 0A 50 -27,-2.2 -25,-3.2 -2,-0.3 2,-0.2 -0.937 6.9-149.8-161.2 166.5 56.9 39.7 15.0 74 74 A S + 0 0 50 -2,-0.3 -25,-0.2 -27,-0.2 -23,-0.2 -0.803 29.3 150.6-134.8 171.6 54.9 37.7 17.5 75 75 A D - 0 0 35 -2,-0.2 -25,-0.2 1,-0.1 3,-0.2 0.196 35.5-178.4-164.5 -91.1 54.9 38.5 21.3 76 76 A S S S+ 0 0 84 -27,-2.1 2,-0.2 1,-0.3 -26,-0.1 0.597 95.2 37.1 59.4 19.7 52.5 38.1 24.2 77 77 A A S S- 0 0 59 -28,-0.3 2,-0.5 -3,-0.0 -1,-0.3 -0.569 123.0 -21.5-163.1-144.5 55.4 39.9 26.1 78 78 A N - 0 0 96 -3,-0.2 5,-0.1 1,-0.2 3,-0.1 -0.771 55.1-162.1 -85.7 126.6 57.9 42.7 25.2 79 79 A T - 0 0 35 3,-1.1 2,-0.2 -2,-0.5 -1,-0.2 0.968 49.4 -80.2 -64.2 -62.0 58.1 42.9 21.4 80 80 A S S S- 0 0 88 2,-0.9 -1,-0.3 0, 0.0 0, 0.0 -0.765 96.6 -19.1 178.9-148.8 61.3 44.8 20.9 81 81 A L S > S+ 0 0 166 -2,-0.2 2,-1.1 2,-0.1 3,-1.0 0.766 116.7 96.0 -47.3 -25.7 61.5 48.6 21.3 82 82 A G T 3 + 0 0 20 1,-0.2 -3,-1.1 3,-0.1 -2,-0.9 -0.626 69.9 60.6 -70.9 97.1 57.8 48.5 20.7 83 83 A K T 3 S+ 0 0 124 -2,-1.1 2,-1.0 -5,-0.1 -1,-0.2 -0.260 74.1 91.2 177.9 -53.5 56.7 48.6 24.3 84 84 A K S < S- 0 0 178 -3,-1.0 2,-0.8 1,-0.2 -1,-0.1 -0.498 117.5 -51.1 -76.6 100.2 57.9 51.9 25.8 85 85 A G S S+ 0 0 52 -2,-1.0 2,-0.3 1,-0.2 -1,-0.2 0.184 93.4 137.9 67.1 -16.1 55.2 54.4 25.3 86 86 A E - 0 0 80 -2,-0.8 2,-0.2 -5,-0.3 -1,-0.2 -0.445 48.0-146.1 -64.6 110.3 54.8 53.7 21.7 87 87 A T > - 0 0 39 -2,-0.3 4,-1.7 1,-0.1 5,-0.2 -0.607 21.0-113.5 -72.5 150.7 51.1 53.8 21.4 88 88 A L H > S+ 0 0 10 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.894 118.8 60.8 -52.0 -38.6 49.6 51.3 18.9 89 89 A A H > S+ 0 0 0 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.956 107.7 43.3 -52.3 -49.8 48.5 54.4 16.9 90 90 A D H > S+ 0 0 80 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.770 110.7 54.7 -69.8 -29.0 52.2 55.4 16.5 91 91 A T H X S+ 0 0 24 -4,-1.7 4,-3.0 2,-0.2 -1,-0.2 0.908 113.6 41.6 -71.0 -43.9 53.3 51.9 15.7 92 92 A I H X S+ 0 0 2 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.961 109.4 59.1 -71.6 -47.9 50.8 51.7 12.9 93 93 A S H < S+ 0 0 54 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.773 114.6 37.5 -50.3 -37.0 51.6 55.2 11.8 94 94 A V H >< S+ 0 0 60 -4,-1.6 3,-2.2 -5,-0.1 -2,-0.2 0.950 115.9 49.7 -79.6 -57.4 55.2 54.1 11.3 95 95 A I H >X S+ 0 0 26 -4,-3.0 3,-2.4 1,-0.3 4,-1.9 0.839 101.5 64.0 -58.4 -27.2 54.6 50.6 9.9 96 96 A S T 3< S+ 0 0 22 -4,-2.9 -1,-0.3 1,-0.3 25,-0.2 0.523 94.1 62.6 -74.2 -3.5 52.0 51.8 7.2 97 97 A T T <4 S+ 0 0 106 -3,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.319 112.5 35.2 -90.6 -1.5 54.8 53.8 5.7 98 98 A Y T <4 S+ 0 0 157 -3,-2.4 -2,-0.2 -4,-0.1 2,-0.1 0.658 109.3 55.9-117.9 -47.2 56.7 50.4 4.9 99 99 A V < - 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