==== 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/TRANSFERASE REGULATOR 28-JUN-07 2QGF . COMPND 2 MOLECULE: ASPARTATE CARBAMOYLTRANSFERASE CATALYTIC CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR B.STEC,M.K.WILLIAMS,K.A.STIEGLITZ,E.R.KANTROWITZ . 926 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41434.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 636 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 94 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 95 10.3 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 . 6 0.6 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 . 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 . 70 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 125 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 213 23.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.6 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 4 2 2 4 1 3 0 0 3 0 2 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 2 5 6 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 5 0 4 5 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 0 104 0, 0.0 306,-0.2 0, 0.0 305,-0.1 0.000 360.0 360.0 360.0 135.4 37.4 46.7 -9.0 2 2 A N > - 0 0 20 304,-1.9 3,-1.3 303,-0.2 305,-0.0 0.097 360.0-109.3 -41.5 147.1 36.1 43.8 -6.8 3 3 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 16,-0.1 0.827 118.3 43.3 -49.2 -38.2 33.9 44.6 -3.8 4 4 A L T > S+ 0 0 0 15,-0.1 3,-2.5 2,-0.1 -2,-0.1 0.576 79.7 131.0 -91.8 -6.7 36.6 43.8 -1.3 5 5 A Y T < S- 0 0 79 -3,-1.3 298,-0.2 1,-0.3 299,-0.2 -0.185 88.1 -8.5 -48.7 124.8 39.4 45.5 -3.1 6 6 A Q T 3 S+ 0 0 78 297,-2.3 -1,-0.3 1,-0.2 2,-0.2 0.580 101.5 135.3 61.5 9.3 41.3 47.7 -0.6 7 7 A K < - 0 0 85 -3,-2.5 2,-0.3 116,-0.1 -1,-0.2 -0.523 57.4-116.5 -83.1 163.0 38.7 47.1 2.2 8 8 A H - 0 0 58 -2,-0.2 2,-0.8 115,-0.1 117,-0.2 -0.743 15.0-142.8 -97.3 141.9 39.7 46.4 5.7 9 9 A I B +a 125 0A 2 115,-1.5 117,-2.9 -2,-0.3 127,-0.1 -0.758 48.8 134.8-107.3 84.9 38.7 43.0 7.1 10 10 A I + 0 0 3 -2,-0.8 2,-0.3 1,-0.3 -1,-0.2 0.913 62.6 11.3 -96.2 -54.2 37.8 43.8 10.8 11 11 A S > - 0 0 1 1,-0.1 3,-1.8 123,-0.1 -1,-0.3 -0.957 60.1-128.3-132.0 149.1 34.5 42.2 11.8 12 12 A I G > S+ 0 0 0 -2,-0.3 3,-2.1 1,-0.3 -1,-0.1 0.840 107.4 68.2 -64.0 -28.5 32.3 39.5 10.3 13 13 A N G 3 S+ 0 0 65 1,-0.3 -1,-0.3 -3,-0.0 158,-0.0 0.698 90.7 60.7 -64.0 -17.3 29.4 41.9 10.8 14 14 A D G < S+ 0 0 72 -3,-1.8 2,-0.5 2,-0.1 -1,-0.3 0.500 91.6 84.1 -87.0 -6.3 30.9 44.2 8.2 15 15 A L < - 0 0 5 -3,-2.1 2,-0.1 -4,-0.2 -6,-0.0 -0.873 68.9-149.2-104.9 130.0 30.6 41.5 5.6 16 16 A S >> - 0 0 50 -2,-0.5 4,-2.1 1,-0.1 3,-0.7 -0.448 35.7 -98.3 -85.7 169.0 27.3 40.9 3.7 17 17 A R H 3> S+ 0 0 80 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.847 126.8 55.4 -56.0 -35.3 26.1 37.5 2.4 18 18 A D H 3> S+ 0 0 124 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.872 106.3 49.5 -67.4 -37.2 27.5 38.6 -1.0 19 19 A D H <> S+ 0 0 14 -3,-0.7 4,-2.6 2,-0.2 5,-0.2 0.937 109.4 51.0 -67.2 -47.7 31.0 39.3 0.4 20 20 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.944 112.2 47.2 -54.0 -50.1 31.2 35.9 2.2 21 21 A N H X S+ 0 0 54 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.862 109.2 54.0 -62.1 -38.0 30.2 34.1 -1.0 22 22 A L H X S+ 0 0 47 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.936 111.2 45.6 -62.5 -46.3 32.8 36.1 -3.1 23 23 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.962 114.8 48.0 -62.2 -46.1 35.6 35.1 -0.7 24 24 A L H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.844 110.2 51.0 -65.7 -32.6 34.4 31.5 -0.7 25 25 A A H X S+ 0 0 48 -4,-2.5 4,-1.6 -5,-0.2 -1,-0.2 0.927 112.1 47.3 -71.0 -42.5 34.1 31.4 -4.5 26 26 A T H X S+ 0 0 6 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.866 109.0 54.5 -63.3 -38.7 37.7 32.8 -4.8 27 27 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.906 105.9 51.2 -62.0 -45.2 39.1 30.3 -2.2 28 28 A A H X S+ 0 0 44 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.904 112.7 47.1 -60.1 -42.9 37.7 27.3 -4.1 29 29 A K H X S+ 0 0 96 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.915 110.1 51.1 -64.6 -47.4 39.3 28.6 -7.3 30 30 A L H < S+ 0 0 1 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.819 109.9 52.6 -62.2 -27.7 42.7 29.3 -5.7 31 31 A K H < S+ 0 0 81 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.915 115.5 39.4 -73.0 -39.6 42.5 25.8 -4.3 32 32 A A H < S+ 0 0 66 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.2 0.969 131.4 20.1 -71.7 -59.0 41.9 24.3 -7.8 33 33 A N S < S- 0 0 103 -4,-2.9 -1,-0.3 -5,-0.1 -2,-0.1 -0.887 86.3-147.5-120.8 94.8 44.2 26.5 -10.0 34 34 A P - 0 0 84 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.270 7.1-154.2 -60.4 144.2 47.0 28.1 -7.7 35 35 A Q > + 0 0 81 -5,-0.1 3,-1.9 1,-0.1 4,-0.3 -0.598 16.9 175.5-126.9 75.5 48.4 31.6 -8.5 36 36 A P T 3 S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 30,-0.1 0.264 79.5 36.8 -60.4 -2.4 52.0 31.6 -6.9 37 37 A E T > S+ 0 0 128 3,-0.1 3,-1.6 30,-0.1 29,-0.1 0.240 80.0 111.0-136.6 10.8 53.1 35.0 -8.2 38 38 A L T < S+ 0 0 53 -3,-1.9 29,-0.2 1,-0.3 28,-0.1 0.898 91.6 32.0 -52.6 -46.8 49.8 36.8 -7.9 39 39 A L T > S+ 0 0 0 27,-3.0 3,-2.3 -4,-0.3 -1,-0.3 0.185 85.1 149.3 -99.2 15.2 51.2 39.0 -5.0 40 40 A K T < + 0 0 104 -3,-1.6 28,-0.2 26,-0.3 3,-0.1 -0.220 68.4 24.0 -51.5 129.7 54.8 39.1 -6.2 41 41 A H T 3 S+ 0 0 158 26,-0.5 -1,-0.3 1,-0.4 2,-0.2 0.371 94.3 117.3 91.4 -2.8 56.4 42.3 -5.1 42 42 A K < - 0 0 72 -3,-2.3 27,-2.4 25,-0.1 2,-0.5 -0.642 51.9-151.2 -90.9 154.9 54.0 43.0 -2.2 43 43 A V E -b 69 0A 44 -2,-0.2 57,-3.0 25,-0.2 58,-0.7 -0.986 12.3-166.0-126.7 120.6 55.4 43.1 1.4 44 44 A I E -bc 70 101A 0 25,-2.6 27,-2.3 -2,-0.5 2,-0.5 -0.867 14.6-136.3-110.3 136.8 53.0 42.1 4.1 45 45 A A E -bc 71 102A 2 56,-2.3 58,-2.6 -2,-0.4 2,-0.9 -0.839 6.9-157.5 -94.9 122.1 53.5 42.8 7.8 46 46 A S E -bc 72 103A 0 25,-2.6 27,-1.9 -2,-0.5 2,-0.9 -0.877 19.3-177.4 -95.6 92.7 52.6 39.8 10.1 47 47 A C E +bc 73 104A 0 56,-2.9 58,-2.1 -2,-0.9 2,-1.2 -0.718 9.6 174.0-101.6 87.1 52.0 41.8 13.4 48 48 A F E + c 0 105A 0 25,-1.9 28,-0.2 -2,-0.9 58,-0.2 -0.749 10.4 166.6 -94.4 88.8 51.3 39.4 16.2 49 49 A F S S+ 0 0 25 56,-2.3 27,-0.8 -2,-1.2 2,-0.4 0.724 82.5 44.5 -69.2 -24.0 51.1 41.6 19.2 50 50 A E S S- 0 0 57 55,-0.9 2,-0.2 -3,-0.2 -1,-0.1 -0.984 103.3-118.9-115.4 127.3 49.5 38.4 20.8 51 51 A A + 0 0 48 -2,-0.4 2,-0.2 23,-0.1 23,-0.1 -0.464 42.3 158.3 -75.7 139.9 51.4 35.2 19.9 52 52 A S > - 0 0 18 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.658 16.0-173.9-161.3 98.6 49.6 32.5 18.0 53 53 A T H > S+ 0 0 84 2,-0.2 4,-2.7 3,-0.2 5,-0.3 0.884 83.8 51.7 -65.1 -46.6 51.7 30.0 16.0 54 54 A R H > S+ 0 0 138 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.971 118.2 40.1 -57.2 -48.3 48.9 28.1 14.2 55 55 A T H > S+ 0 0 9 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.834 116.4 48.1 -69.1 -38.9 47.4 31.3 12.9 56 56 A R H X S+ 0 0 55 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.977 112.5 48.8 -68.1 -50.8 50.7 33.0 12.2 57 57 A L H X S+ 0 0 88 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.876 113.6 47.8 -55.2 -38.9 52.1 30.0 10.3 58 58 A S H X S+ 0 0 18 -4,-1.9 4,-2.5 -5,-0.3 -1,-0.2 0.944 113.5 45.2 -69.8 -46.6 48.9 29.7 8.3 59 59 A F H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.961 116.4 46.9 -62.4 -49.8 48.6 33.4 7.3 60 60 A E H X S+ 0 0 37 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.854 109.8 51.9 -61.6 -37.8 52.3 33.5 6.5 61 61 A T H X S+ 0 0 53 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.932 109.9 52.1 -63.9 -40.5 52.1 30.3 4.4 62 62 A S H X S+ 0 0 0 -4,-2.5 4,-0.9 2,-0.2 -2,-0.2 0.923 107.3 51.3 -59.6 -42.3 49.2 32.0 2.6 63 63 A M H ><>S+ 0 0 0 -4,-2.4 5,-1.6 1,-0.2 3,-0.9 0.953 112.0 47.5 -62.1 -42.7 51.3 35.0 2.0 64 64 A H H ><5S+ 0 0 110 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 0.805 101.6 61.8 -67.3 -33.8 54.1 32.8 0.5 65 65 A R H 3<5S+ 0 0 155 -4,-2.3 -1,-0.2 1,-0.3 -27,-0.2 0.742 107.1 47.3 -65.2 -22.4 51.8 30.7 -1.7 66 66 A L T <<5S- 0 0 0 -3,-0.9 -27,-3.0 -4,-0.9 -26,-0.3 0.169 121.2-105.1-103.3 11.0 50.9 33.9 -3.6 67 67 A G T < 5S+ 0 0 28 -3,-1.7 -26,-0.5 1,-0.2 -3,-0.2 0.368 71.6 141.2 83.2 -2.2 54.5 35.1 -4.0 68 68 A A < - 0 0 3 -5,-1.6 2,-0.2 -6,-0.2 -1,-0.2 -0.272 47.4-123.7 -75.1 157.7 54.4 37.9 -1.3 69 69 A S E -b 43 0A 68 -27,-2.4 -25,-2.6 -30,-0.3 2,-0.4 -0.636 22.5-147.7 -94.0 161.3 57.2 38.8 1.1 70 70 A V E +b 44 0A 36 -2,-0.2 2,-0.3 -27,-0.2 -25,-0.2 -0.993 20.9 168.7-138.6 129.9 56.7 38.9 4.9 71 71 A V E +b 45 0A 73 -27,-2.3 -25,-2.6 -2,-0.4 2,-0.3 -0.915 32.4 101.9-128.9 153.4 58.1 41.1 7.7 72 72 A G E -b 46 0A 46 -2,-0.3 2,-0.2 -27,-0.3 -25,-0.2 -0.982 46.8-119.1 163.6-166.8 56.8 41.1 11.2 73 73 A F E -b 47 0A 68 -27,-1.9 -25,-1.9 -2,-0.3 2,-0.2 -0.853 13.0-147.1-156.2 177.8 57.1 40.0 14.7 74 74 A S + 0 0 54 -2,-0.2 -23,-0.1 1,-0.2 3,-0.1 -0.811 60.5 17.7-142.9-170.8 55.3 38.0 17.5 75 75 A D - 0 0 94 -2,-0.2 2,-2.3 1,-0.2 -1,-0.2 0.525 52.6-158.6 -2.5 89.2 54.8 37.8 21.3 76 76 A S - 0 0 41 -27,-0.8 2,-2.5 -28,-0.2 -1,-0.2 -0.426 15.6-176.3 -78.0 65.1 55.8 41.3 22.6 77 77 A A - 0 0 74 -2,-2.3 2,-0.3 -3,-0.1 -1,-0.1 -0.390 5.4-179.1 -69.2 75.8 56.3 39.8 26.1 78 78 A N - 0 0 58 -2,-2.5 2,-0.8 1,-0.1 3,-0.5 -0.665 41.3-103.0 -77.2 134.9 57.1 43.1 27.8 79 79 A T S S- 0 0 91 -2,-0.3 3,-0.3 1,-0.2 -1,-0.1 -0.507 97.9 -19.0 -64.4 105.5 57.9 42.5 31.4 80 80 A S S S- 0 0 25 -2,-0.8 2,-2.1 1,-0.2 3,-0.4 0.967 79.4-140.5 54.2 87.9 54.6 43.7 33.0 81 81 A L + 0 0 80 -3,-0.5 3,-0.3 1,-0.2 -1,-0.2 -0.434 50.0 144.5 -78.1 63.9 53.2 45.8 30.2 82 82 A G S S- 0 0 58 -2,-2.1 2,-0.3 1,-0.4 -1,-0.2 0.913 93.3 -5.1 -65.1 -39.8 51.8 48.7 32.3 83 83 A K - 0 0 178 -3,-0.4 -1,-0.4 4,-0.0 3,-0.1 -0.870 62.6-163.3-153.4 112.2 52.8 50.8 29.3 84 84 A K - 0 0 96 -3,-0.3 2,-0.8 -2,-0.3 3,-0.1 0.490 49.8-121.5 -75.4 -4.3 54.7 49.1 26.5 85 85 A G S S+ 0 0 42 -4,-0.0 -1,-0.2 1,-0.0 -4,-0.0 -0.838 82.2 66.6 108.2-101.6 55.6 52.7 25.6 86 86 A E S S- 0 0 121 -2,-0.8 -2,-0.2 -3,-0.1 2,-0.2 -0.205 83.8-114.7 -58.3 145.0 54.5 53.7 22.1 87 87 A T > - 0 0 42 1,-0.1 4,-1.4 -4,-0.1 3,-0.3 -0.528 20.2-120.3 -78.9 156.6 50.8 53.9 21.4 88 88 A L H > S+ 0 0 11 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.786 114.7 62.6 -66.1 -30.4 49.4 51.4 18.9 89 89 A A H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.926 105.7 45.5 -60.5 -40.1 48.2 54.4 16.9 90 90 A D H > S+ 0 0 84 -3,-0.3 4,-1.2 1,-0.2 -2,-0.2 0.800 109.5 53.3 -74.3 -35.1 51.9 55.4 16.5 91 91 A T H X S+ 0 0 28 -4,-1.4 4,-2.9 2,-0.2 -1,-0.2 0.888 112.0 44.8 -67.4 -43.4 53.1 51.9 15.6 92 92 A I H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.912 108.4 57.8 -70.1 -39.6 50.6 51.5 12.9 93 93 A S H < S+ 0 0 46 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.808 114.6 39.1 -56.3 -37.7 51.3 55.1 11.6 94 94 A V H >< S+ 0 0 60 -4,-1.2 3,-1.9 2,-0.1 4,-0.3 0.935 115.4 49.1 -79.1 -49.3 54.9 54.0 11.2 95 95 A I H >X S+ 0 0 23 -4,-2.9 3,-1.9 1,-0.3 4,-1.6 0.833 100.9 65.1 -62.0 -29.5 54.4 50.5 9.9 96 96 A S T 3< S+ 0 0 17 -4,-2.6 -1,-0.3 1,-0.3 25,-0.1 0.548 93.4 62.0 -72.8 -5.5 51.9 51.6 7.3 97 97 A T T <4 S+ 0 0 105 -3,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.507 109.4 41.0 -92.6 -8.7 54.7 53.5 5.5 98 98 A Y T <4 S+ 0 0 159 -3,-1.9 -2,-0.2 -4,-0.3 2,-0.2 0.790 110.2 48.2-101.5 -46.4 56.7 50.3 4.9 99 99 A V < - 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