==== 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 14-AUG-92 1RAC . COMPND 2 MOLECULE: ASPARTATE CARBAMOYLTRANSFERASE CATALYTIC CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.P.KOSMAN,J.E.GOUAUX,W.N.LIPSCOMB . 926 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41937.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 645 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 95 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 91 9.8 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 . 4 0.4 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 . 1 0.1 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 . 87 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 124 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 211 22.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.1 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 4 1 1 4 2 2 0 1 1 0 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 2 5 5 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 . 1 0 5 1 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 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 81 0, 0.0 306,-0.2 0, 0.0 305,-0.1 0.000 360.0 360.0 360.0-152.8 37.0 46.9 -8.6 2 2 A N > - 0 0 24 304,-2.2 3,-0.9 303,-0.2 305,-0.0 -0.435 360.0-106.7 -73.0 161.1 36.1 43.6 -6.8 3 3 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 16,-0.1 0.896 118.4 43.8 -57.3 -36.9 33.8 44.6 -3.8 4 4 A L T > S+ 0 0 0 15,-0.1 3,-2.5 2,-0.1 302,-0.0 0.557 78.3 137.0 -92.0 -0.4 36.5 43.9 -1.3 5 5 A Y T < S- 0 0 51 -3,-0.9 298,-0.2 1,-0.3 299,-0.1 -0.195 85.0 -7.0 -51.7 121.0 39.4 45.6 -3.1 6 6 A Q T 3 S+ 0 0 81 297,-2.2 -1,-0.3 1,-0.2 2,-0.2 0.589 101.8 143.4 65.7 17.2 41.4 47.7 -0.6 7 7 A K < - 0 0 73 -3,-2.5 2,-0.3 116,-0.1 -1,-0.2 -0.554 53.6-119.0 -86.6 152.5 38.9 47.1 2.2 8 8 A H - 0 0 56 -2,-0.2 2,-0.7 115,-0.1 117,-0.2 -0.645 19.4-150.4 -87.5 141.1 39.7 46.5 5.9 9 9 A I B +a 125 0A 0 115,-2.1 117,-2.4 -2,-0.3 127,-0.1 -0.847 45.2 132.8-119.2 88.8 38.6 43.1 7.2 10 10 A I + 0 0 3 -2,-0.7 2,-0.4 1,-0.3 -1,-0.2 0.782 61.1 19.2-111.2 -36.8 37.8 43.6 10.8 11 11 A S > - 0 0 0 -3,-0.2 3,-1.6 1,-0.1 -1,-0.3 -0.994 54.8-137.1-142.5 144.7 34.5 42.1 11.7 12 12 A I G > S+ 0 0 0 -2,-0.4 3,-1.6 1,-0.3 -1,-0.1 0.800 106.1 67.7 -69.6 -19.3 32.2 39.5 10.3 13 13 A N G 3 S+ 0 0 66 1,-0.3 -1,-0.3 -3,-0.1 158,-0.0 0.781 95.5 54.9 -65.6 -31.3 29.4 41.8 11.1 14 14 A D G < S+ 0 0 82 -3,-1.6 2,-0.5 2,-0.1 -1,-0.3 0.216 92.9 80.1 -83.2 -1.8 30.6 44.2 8.4 15 15 A L S < S- 0 0 4 -3,-1.6 2,-0.1 -4,-0.1 -6,-0.0 -0.962 72.4-140.9-117.8 131.7 30.6 41.7 5.5 16 16 A S > - 0 0 57 -2,-0.5 4,-2.3 1,-0.1 5,-0.2 -0.320 32.3 -93.9 -78.0 174.6 27.3 41.0 3.8 17 17 A R H > S+ 0 0 91 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.937 126.1 50.3 -53.0 -49.8 26.1 37.6 2.5 18 18 A D H > S+ 0 0 113 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.885 107.9 52.3 -66.1 -36.0 27.4 38.3 -1.0 19 19 A D H > S+ 0 0 19 1,-0.2 4,-2.5 2,-0.2 3,-0.3 0.976 109.2 50.1 -65.2 -46.2 30.9 39.3 0.3 20 20 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.3 -1,-0.2 0.872 112.5 47.8 -56.8 -37.9 31.1 36.1 2.3 21 21 A N H X S+ 0 0 48 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.3 0.898 108.1 54.9 -75.5 -30.0 30.2 34.2 -0.9 22 22 A L H X S+ 0 0 46 -4,-2.3 4,-2.6 -3,-0.3 -2,-0.2 0.930 109.8 46.6 -67.2 -43.2 32.7 36.0 -3.0 23 23 A V H X S+ 0 0 1 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.968 113.8 48.0 -60.3 -50.4 35.4 35.1 -0.6 24 24 A L H X S+ 0 0 2 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.787 111.1 51.0 -63.2 -31.6 34.2 31.5 -0.6 25 25 A A H X S+ 0 0 43 -4,-2.6 4,-1.7 2,-0.2 3,-0.4 0.925 110.9 47.3 -69.2 -49.0 34.0 31.4 -4.3 26 26 A T H X S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 3,-0.5 0.970 107.9 56.5 -57.3 -50.2 37.6 32.7 -4.8 27 27 A A H X S+ 0 0 1 -4,-3.0 4,-1.6 1,-0.3 -1,-0.2 0.799 104.5 52.2 -54.9 -30.2 39.0 30.3 -2.2 28 28 A A H X S+ 0 0 43 -4,-1.0 4,-2.5 -3,-0.4 -1,-0.3 0.917 111.7 47.2 -71.8 -37.8 37.6 27.3 -4.2 29 29 A K H X S+ 0 0 75 -4,-1.7 4,-3.2 -3,-0.5 -2,-0.2 0.879 112.1 48.8 -67.9 -42.3 39.3 28.7 -7.4 30 30 A L H < S+ 0 0 2 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.854 110.5 52.1 -68.7 -29.6 42.6 29.3 -5.6 31 31 A K H < S+ 0 0 75 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.984 117.8 37.9 -68.5 -51.0 42.4 25.8 -4.2 32 32 A A H < S+ 0 0 69 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.902 130.4 22.2 -65.6 -45.9 41.8 24.4 -7.7 33 33 A N S < S- 0 0 100 -4,-3.2 -1,-0.2 -5,-0.1 -2,-0.1 -0.873 83.6-151.1-133.6 92.8 44.2 26.6 -9.9 34 34 A P - 0 0 84 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.237 8.5-157.9 -61.1 148.9 46.9 28.1 -7.8 35 35 A Q > + 0 0 56 30,-0.2 3,-1.5 -5,-0.1 -5,-0.0 -0.612 12.4 177.7-132.8 84.4 48.5 31.4 -8.7 36 36 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.413 77.5 45.7 -66.4 -5.0 51.9 31.6 -7.0 37 37 A E T > S+ 0 0 142 1,-0.1 3,-0.9 3,-0.1 30,-0.1 0.091 76.3 111.6-129.0 26.0 53.1 35.0 -8.4 38 38 A L T < S+ 0 0 35 -3,-1.5 29,-0.2 1,-0.2 -1,-0.1 0.876 88.3 30.5 -66.8 -40.6 49.9 36.9 -7.7 39 39 A L T > S+ 0 0 0 27,-3.5 3,-2.8 24,-0.2 30,-0.3 -0.039 83.0 156.8-112.6 34.6 51.3 39.1 -5.0 40 40 A K T < S+ 0 0 102 -3,-0.9 28,-0.2 1,-0.3 3,-0.1 -0.380 72.1 17.5 -58.5 130.0 54.8 39.2 -6.4 41 41 A H T 3 S+ 0 0 159 26,-0.4 2,-0.3 1,-0.3 -1,-0.3 0.450 95.3 121.7 80.7 5.9 56.4 42.4 -5.0 42 42 A K < - 0 0 67 -3,-2.8 27,-2.8 25,-0.2 2,-0.5 -0.759 47.5-157.4 -92.7 142.8 53.9 42.9 -2.2 43 43 A V E -b 69 0A 48 -2,-0.3 57,-2.8 25,-0.2 58,-0.7 -0.997 9.8-168.6-116.6 120.4 55.3 43.0 1.4 44 44 A I E -bc 70 101A 0 25,-2.4 27,-2.0 -2,-0.5 2,-0.5 -0.847 15.9-134.3-102.4 147.5 52.7 42.1 4.1 45 45 A A E -bc 71 102A 3 56,-2.0 58,-2.5 -2,-0.3 2,-0.9 -0.914 7.4-158.1-101.4 128.7 53.4 42.7 7.9 46 46 A S E +bc 72 103A 0 25,-2.4 27,-2.2 -2,-0.5 2,-1.3 -0.807 17.7 179.5-108.7 82.5 52.5 39.9 10.2 47 47 A C E +bc 73 104A 0 56,-1.9 2,-1.7 -2,-0.9 58,-1.6 -0.646 4.4 176.1 -85.7 82.8 52.2 41.8 13.5 48 48 A F E +bc 74 105A 0 25,-2.9 27,-1.6 -2,-1.3 58,-0.1 -0.553 9.3 171.1 -92.4 86.8 51.2 39.3 16.1 49 49 A F S S+ 0 0 20 -2,-1.7 2,-0.4 56,-1.5 57,-0.2 0.737 79.1 44.1 -62.8 -18.3 51.2 41.3 19.2 50 50 A E S S- 0 0 58 55,-1.0 2,-0.2 -3,-0.2 26,-0.2 -0.996 99.5-116.6-122.4 134.5 49.7 38.2 20.8 51 51 A A + 0 0 43 -2,-0.4 2,-0.2 24,-0.3 23,-0.1 -0.533 42.1 154.4 -86.9 137.7 51.2 34.8 19.9 52 52 A S > - 0 0 21 -2,-0.2 4,-2.5 1,-0.1 5,-0.3 -0.779 19.8-168.2-146.6 100.7 49.4 32.0 18.0 53 53 A T H > S+ 0 0 96 1,-0.2 4,-2.9 -2,-0.2 5,-0.3 0.971 87.0 50.0 -55.2 -50.5 51.6 29.7 16.2 54 54 A R H > S+ 0 0 141 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.790 115.9 41.1 -58.1 -37.6 48.8 28.1 14.2 55 55 A T H > S+ 0 0 13 2,-0.2 4,-2.0 3,-0.1 -1,-0.2 0.876 115.4 50.6 -80.8 -35.1 47.2 31.3 13.0 56 56 A R H X S+ 0 0 63 -4,-2.5 4,-2.4 1,-0.2 3,-0.3 0.991 112.6 45.8 -71.1 -52.0 50.5 33.0 12.3 57 57 A L H X S+ 0 0 81 -4,-2.9 4,-2.0 -5,-0.3 -1,-0.2 0.791 110.3 53.1 -57.5 -30.6 51.8 30.1 10.2 58 58 A S H X S+ 0 0 14 -4,-0.9 4,-2.3 -5,-0.3 -1,-0.2 0.964 113.7 44.7 -72.4 -39.5 48.5 29.7 8.2 59 59 A F H X S+ 0 0 1 -4,-2.0 4,-2.3 -3,-0.3 -2,-0.2 0.898 114.1 46.0 -70.5 -48.5 48.6 33.4 7.3 60 60 A E H X S+ 0 0 36 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.884 111.5 52.5 -66.0 -38.4 52.3 33.5 6.4 61 61 A T H X S+ 0 0 54 -4,-2.0 4,-2.8 -5,-0.3 -2,-0.2 0.934 110.1 51.2 -62.5 -40.3 52.0 30.3 4.4 62 62 A S H X S+ 0 0 0 -4,-2.3 4,-0.6 2,-0.2 -2,-0.2 0.933 109.5 49.6 -55.3 -43.8 49.0 32.1 2.6 63 63 A M H ><>S+ 0 0 0 -4,-2.3 5,-2.4 1,-0.2 3,-1.5 0.971 114.3 44.0 -62.2 -50.7 51.2 35.1 2.0 64 64 A H H ><5S+ 0 0 105 -4,-3.0 3,-2.2 1,-0.3 -1,-0.2 0.859 104.2 60.9 -70.0 -32.6 54.0 33.0 0.6 65 65 A R H 3<5S+ 0 0 165 -4,-2.8 -1,-0.3 1,-0.3 -30,-0.2 0.579 108.8 47.7 -70.9 -7.1 51.8 30.6 -1.6 66 66 A L T <<5S- 0 0 0 -3,-1.5 -27,-3.5 -4,-0.6 -1,-0.3 0.128 124.7-109.2-108.9 11.9 50.7 33.8 -3.4 67 67 A G T < 5 + 0 0 30 -3,-2.2 -26,-0.4 1,-0.2 -3,-0.2 0.651 67.4 145.6 77.3 18.9 54.3 34.9 -3.7 68 68 A A < - 0 0 3 -5,-2.4 2,-0.2 -6,-0.2 -1,-0.2 -0.464 45.7-122.0 -85.6 160.4 54.3 37.7 -1.2 69 69 A S E -b 43 0A 68 -27,-2.8 -25,-2.4 -30,-0.3 2,-0.4 -0.622 25.7-148.3 -90.6 163.6 57.2 38.8 1.1 70 70 A V E +b 44 0A 35 -27,-0.2 2,-0.3 -2,-0.2 -25,-0.2 -0.994 22.3 169.1-140.4 131.9 56.7 38.9 4.9 71 71 A V E +b 45 0A 75 -27,-2.0 -25,-2.4 -2,-0.4 2,-0.3 -0.951 34.8 100.3-129.8 151.0 58.1 41.1 7.7 72 72 A G E -b 46 0A 46 -2,-0.3 2,-0.3 -27,-0.3 -25,-0.2 -0.990 45.3-127.2 169.4-157.0 56.6 40.9 11.2 73 73 A F E -b 47 0A 49 -27,-2.2 -25,-2.9 -2,-0.3 2,-0.3 -0.950 6.1-138.6-169.3 169.2 56.9 39.6 14.7 74 74 A S E -b 48 0A 40 -2,-0.3 2,-0.5 -27,-0.2 -25,-0.2 -0.970 22.4-150.2-135.8 150.7 55.1 37.8 17.6 75 75 A D + 0 0 39 -27,-1.6 2,-0.4 -2,-0.3 -24,-0.3 -0.776 31.5 153.7-135.2 88.0 55.5 38.9 21.1 76 76 A S S S- 0 0 83 -2,-0.5 3,-0.1 -26,-0.2 -2,-0.1 -0.903 91.2 -28.8 -94.2 148.4 55.3 36.8 24.1 77 77 A A S S+ 0 0 106 -2,-0.4 2,-0.2 1,-0.1 -1,-0.1 0.498 126.6 58.5 10.9 58.1 57.4 38.6 26.9 78 78 A N + 0 0 125 1,-0.2 -1,-0.1 0, 0.0 -3,-0.1 -0.570 59.0 65.2-158.9-152.6 59.8 40.3 24.4 79 79 A T - 0 0 88 -2,-0.2 2,-0.8 -5,-0.1 -1,-0.2 0.360 68.1-109.1 -13.6 111.4 60.4 42.7 21.4 80 80 A S + 0 0 80 2,-0.1 2,-0.1 3,-0.0 -1,-0.1 -0.030 64.6 117.3 -23.6 -22.0 59.6 46.3 21.7 81 81 A L S S+ 0 0 65 -2,-0.8 2,-0.8 1,-0.2 7,-0.1 -0.375 92.1 9.6 -86.1 138.9 56.5 47.8 19.8 82 82 A G S > S+ 0 0 19 5,-0.2 2,-2.6 -2,-0.1 4,-1.3 -0.770 80.0 165.5 97.1 -70.8 53.7 49.2 21.8 83 83 A K T 4 - 0 0 177 -2,-0.8 -2,-0.1 2,-0.2 2,-0.1 -0.392 66.8 -81.7 63.0 -63.4 56.1 48.9 24.9 84 84 A K T 4 S+ 0 0 199 -2,-2.6 3,-0.1 2,-0.2 -1,-0.1 0.188 127.1 46.2 121.4 108.0 53.7 51.2 26.9 85 85 A G T 4 S+ 0 0 75 1,-0.3 2,-0.6 -2,-0.1 -2,-0.2 -0.396 97.4 80.6 129.5 -42.4 54.5 54.7 26.0 86 86 A E S < S- 0 0 61 -4,-1.3 -1,-0.3 4,-0.0 -2,-0.2 -0.761 84.4-135.9 -89.6 118.7 54.6 53.9 22.4 87 87 A T > - 0 0 30 -2,-0.6 4,-1.6 1,-0.1 3,-0.5 -0.403 14.7-122.8 -71.7 156.1 50.9 53.8 21.3 88 88 A L H > S+ 0 0 8 1,-0.2 4,-2.6 2,-0.2 3,-0.4 0.964 116.2 58.8 -57.9 -39.1 49.4 51.2 19.0 89 89 A A H > S+ 0 0 0 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.760 105.2 45.1 -60.8 -30.9 48.5 54.2 16.9 90 90 A D H > S+ 0 0 80 -3,-0.5 4,-1.6 2,-0.2 -1,-0.3 0.774 110.6 54.8 -86.5 -21.6 52.1 55.3 16.4 91 91 A T H X S+ 0 0 1 -4,-1.6 4,-3.3 -3,-0.4 5,-0.2 0.959 114.0 41.0 -70.0 -50.6 53.2 51.7 15.7 92 92 A I H X S+ 0 0 0 -4,-2.6 4,-3.7 1,-0.2 5,-0.2 0.969 112.1 54.0 -64.5 -55.9 50.7 51.5 12.9 93 93 A S H < S+ 0 0 45 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.750 116.5 40.9 -46.1 -37.2 51.3 55.0 11.6 94 94 A V H >< S+ 0 0 69 -4,-1.6 3,-2.1 -3,-0.2 4,-0.3 0.962 117.2 45.9 -77.1 -57.8 55.0 54.0 11.4 95 95 A I H >X S+ 0 0 22 -4,-3.3 3,-1.8 1,-0.3 4,-1.4 0.830 102.1 66.5 -58.7 -28.3 54.5 50.5 10.0 96 96 A S T 3< S+ 0 0 19 -4,-3.7 -1,-0.3 1,-0.3 25,-0.2 0.515 95.3 57.4 -77.2 4.0 51.9 51.7 7.4 97 97 A T T <4 S+ 0 0 111 -3,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.459 110.7 44.8 -96.1 -10.2 54.7 53.7 5.6 98 98 A Y T <4 S+ 0 0 164 -3,-1.8 -2,-0.2 -4,-0.3 2,-0.2 0.749 109.6 47.2-100.8 -36.2 56.7 50.5 5.1 99 99 A V < - 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