==== 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 26-JUN-98 9ATC . COMPND 2 MOLECULE: ASPARTATE TRANSCARBAMOYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.HA,N.M.ALLEWELL . 456 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21033.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 280 61.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 38 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 21.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 1 1 1 2 0 1 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 2 2 2 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 . 3 1 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 1 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 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 0 112 0, 0.0 305,-0.1 0, 0.0 306,-0.1 0.000 360.0 360.0 360.0 127.3 17.1 46.7 12.3 2 2 A N > - 0 0 24 303,-0.3 3,-0.5 300,-0.2 305,-0.1 -0.476 360.0-119.3 -74.8 150.4 17.8 44.8 9.1 3 3 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 16,-0.1 0.581 115.9 40.4 -62.1 -14.4 15.3 45.4 6.1 4 4 A L T > S+ 0 0 5 298,-0.2 3,-2.0 301,-0.2 2,-0.2 0.373 80.1 133.2-114.2 -1.0 14.4 41.7 6.3 5 5 A Y T < S- 0 0 88 -3,-0.5 298,-0.2 1,-0.3 299,-0.1 -0.451 87.0 -1.0 -61.8 128.9 14.2 41.1 10.1 6 6 A Q T 3 S+ 0 0 93 297,-1.5 -1,-0.3 1,-0.3 118,-0.1 0.266 100.4 141.5 68.3 3.1 11.1 39.2 11.0 7 7 A K < - 0 0 41 -3,-2.0 2,-0.6 295,-0.1 -1,-0.3 -0.317 51.3-134.8 -73.8 144.1 10.0 39.2 7.3 8 8 A H - 0 0 46 115,-0.2 2,-1.0 -3,-0.1 117,-0.2 -0.919 16.0-148.9 -94.1 125.2 8.3 36.1 5.9 9 9 A I B +a 125 0A 5 115,-1.3 117,-1.6 -2,-0.6 127,-0.1 -0.854 41.8 142.0 -96.4 95.8 10.0 35.5 2.6 10 10 A I + 0 0 1 -2,-1.0 2,-0.3 1,-0.2 -1,-0.2 0.828 56.5 27.2-105.7 -45.5 7.2 33.9 0.5 11 11 A S - 0 0 0 1,-0.1 -1,-0.2 123,-0.1 3,-0.2 -0.751 59.1-134.5-118.9 167.1 7.5 35.2 -3.1 12 12 A I S > S+ 0 0 0 -2,-0.3 3,-0.8 1,-0.2 -1,-0.1 0.780 113.1 49.7 -83.3 -30.8 10.1 36.5 -5.4 13 13 A N T 3 S+ 0 0 83 1,-0.2 -1,-0.2 -3,-0.0 158,-0.0 0.243 98.3 70.3 -91.4 14.8 7.9 39.4 -6.5 14 14 A D T 3 S+ 0 0 77 -3,-0.2 -1,-0.2 2,-0.1 2,-0.2 0.533 95.1 69.1 -89.1 -24.3 7.3 40.1 -2.8 15 15 A L S < S- 0 0 13 -3,-0.8 2,-0.3 -4,-0.1 -3,-0.0 -0.561 77.8-135.8 -94.0 161.0 10.9 41.2 -2.7 16 16 A S >> - 0 0 71 -2,-0.2 4,-1.8 1,-0.1 3,-1.1 -0.805 29.1-105.2-114.5 158.6 12.4 44.3 -4.3 17 17 A R H 3> S+ 0 0 86 -2,-0.3 4,-2.1 1,-0.3 5,-0.1 0.836 116.8 58.6 -47.1 -44.2 15.7 44.6 -6.2 18 18 A D H 3> S+ 0 0 132 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.745 111.4 38.1 -64.6 -30.7 17.4 46.3 -3.3 19 19 A D H <> S+ 0 0 33 -3,-1.1 4,-1.5 2,-0.2 -1,-0.2 0.611 111.5 57.4 -94.1 -16.7 16.9 43.4 -0.8 20 20 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.860 109.7 48.1 -65.2 -41.2 17.4 40.8 -3.5 21 21 A N H X S+ 0 0 78 -4,-2.1 4,-2.0 -5,-0.3 -2,-0.2 0.827 110.6 50.3 -66.2 -33.8 20.7 42.7 -3.7 22 22 A L H X S+ 0 0 58 -4,-0.5 4,-1.0 2,-0.2 -1,-0.2 0.777 110.2 49.9 -76.4 -25.7 21.0 42.4 0.1 23 23 A V H X S+ 0 0 1 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.949 114.7 43.6 -72.7 -49.7 20.4 38.7 -0.0 24 24 A L H X S+ 0 0 2 -4,-2.4 4,-2.0 1,-0.2 5,-0.2 0.915 112.2 50.1 -59.6 -51.8 23.0 38.1 -2.7 25 25 A A H X S+ 0 0 48 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.852 111.1 50.9 -57.0 -38.2 25.7 40.4 -1.2 26 26 A T H X S+ 0 0 12 -4,-1.0 4,-2.6 2,-0.2 5,-0.3 0.833 108.0 52.3 -65.1 -39.9 25.3 38.7 2.2 27 27 A A H X S+ 0 0 0 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.875 105.7 52.9 -62.5 -44.0 25.6 35.2 0.6 28 28 A A H X S+ 0 0 34 -4,-2.0 4,-0.6 1,-0.2 -1,-0.2 0.885 113.0 48.8 -55.3 -40.0 28.9 36.1 -1.1 29 29 A K H >X S+ 0 0 96 -4,-1.2 4,-2.3 2,-0.2 3,-0.8 0.918 108.1 46.9 -67.4 -58.0 30.0 37.2 2.4 30 30 A L H 3< S+ 0 0 3 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.724 110.6 57.3 -60.3 -25.1 29.0 34.2 4.6 31 31 A K H 3< S+ 0 0 71 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.785 109.1 46.2 -69.1 -34.7 30.7 32.0 1.9 32 32 A A H << S+ 0 0 80 -3,-0.8 -2,-0.2 -4,-0.6 -3,-0.1 0.964 131.4 12.6 -71.9 -61.0 33.8 34.0 2.4 33 33 A N S < S- 0 0 66 -4,-2.3 -1,-0.3 2,-0.0 -2,-0.1 -0.874 85.4-141.2-124.9 96.8 34.0 34.0 6.1 34 34 A P - 0 0 89 0, 0.0 -3,-0.1 0, 0.0 32,-0.1 -0.138 2.0-148.4 -54.1 148.7 31.6 31.5 7.7 35 35 A Q > + 0 0 50 30,-0.2 3,-1.8 1,-0.1 4,-0.3 -0.438 20.2 179.1-118.7 65.0 29.7 32.4 11.0 36 36 A P T 3 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 30,-0.0 0.452 76.9 30.7 -52.3 -25.0 29.3 29.0 12.7 37 37 A E T 3 S+ 0 0 138 3,-0.1 3,-0.5 30,-0.1 30,-0.2 -0.226 83.4 114.1-125.9 36.2 27.6 29.9 15.9 38 38 A L S < S+ 0 0 38 -3,-1.8 29,-0.1 1,-0.2 28,-0.1 0.948 89.2 32.6 -71.0 -58.6 25.6 33.0 14.6 39 39 A L S > S+ 0 0 9 27,-2.0 3,-2.1 -4,-0.3 30,-0.3 0.020 90.3 156.7 -84.3 27.8 22.2 31.4 15.1 40 40 A K T 3 + 0 0 116 -3,-0.5 28,-0.2 1,-0.3 3,-0.1 -0.324 67.8 14.8 -58.9 139.9 23.5 29.4 18.2 41 41 A H T 3 S+ 0 0 162 26,-0.6 -1,-0.3 1,-0.3 2,-0.2 0.244 95.0 124.1 73.4 -9.1 20.6 28.5 20.4 42 42 A K < - 0 0 15 -3,-2.1 27,-2.8 25,-0.0 2,-0.5 -0.621 50.5-147.1 -81.0 144.4 17.8 29.1 17.8 43 43 A V E -b 69 0A 44 -2,-0.2 57,-3.0 25,-0.2 58,-0.8 -0.956 15.6-169.4-113.7 125.3 15.5 26.3 17.0 44 44 A I E -bc 70 101A 0 25,-2.6 27,-2.0 -2,-0.5 2,-0.5 -0.938 15.5-133.2-121.0 140.3 14.1 26.0 13.5 45 45 A A E -bc 71 102A 4 56,-2.1 58,-2.3 -2,-0.4 2,-1.1 -0.781 5.1-159.0 -93.1 125.6 11.3 23.8 12.1 46 46 A S E +bc 72 103A 0 25,-2.4 27,-3.0 -2,-0.5 2,-1.0 -0.813 19.1 179.5-102.9 89.8 11.8 21.8 8.9 47 47 A C E +bc 73 104A 1 56,-2.6 58,-2.2 -2,-1.1 2,-1.1 -0.747 8.5 170.7 -89.7 85.4 8.1 21.3 8.0 48 48 A F E +bc 74 105A 0 25,-2.5 27,-2.3 -2,-1.0 58,-0.2 -0.637 5.4 168.7 -98.0 78.8 8.1 19.3 4.7 49 49 A F S S+ 0 0 7 56,-1.5 2,-0.5 -2,-1.1 28,-0.3 0.638 81.4 46.1 -54.9 -24.3 4.4 18.5 4.5 50 50 A E S S- 0 0 61 55,-0.5 -1,-0.2 -3,-0.2 26,-0.1 -0.993 101.3-125.3-116.3 117.4 5.5 17.5 1.0 51 51 A A + 0 0 44 24,-0.8 2,-0.2 -2,-0.5 -2,-0.1 -0.296 44.6 150.1 -61.5 151.2 8.6 15.4 1.0 52 52 A S > - 0 0 31 -4,-0.1 4,-0.8 53,-0.0 -2,-0.1 -0.604 21.3-170.4-176.9 105.5 11.4 16.6 -1.2 53 53 A T H > S+ 0 0 79 -2,-0.2 4,-2.8 2,-0.2 5,-0.3 0.754 79.6 61.3 -88.7 -19.6 14.8 15.6 0.2 54 54 A R H > S+ 0 0 128 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.863 111.4 40.9 -71.6 -31.9 17.1 17.7 -2.0 55 55 A T H > S+ 0 0 12 2,-0.1 4,-2.2 3,-0.1 -1,-0.2 0.805 117.6 50.7 -78.9 -31.0 15.5 20.9 -0.8 56 56 A R H X S+ 0 0 60 -4,-0.8 4,-2.9 2,-0.2 5,-0.2 0.944 107.6 48.0 -72.4 -53.3 15.4 19.6 2.8 57 57 A L H X S+ 0 0 104 -4,-2.8 4,-0.9 2,-0.2 -1,-0.2 0.789 115.2 49.5 -57.3 -31.6 19.1 18.4 3.1 58 58 A S H X S+ 0 0 19 -4,-0.7 4,-2.3 -5,-0.3 3,-0.4 0.948 113.7 43.0 -68.8 -57.6 20.1 21.8 1.7 59 59 A F H X S+ 0 0 0 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.903 114.9 50.8 -54.8 -47.8 17.9 23.9 4.1 60 60 A E H X S+ 0 0 35 -4,-2.9 4,-1.2 2,-0.2 -1,-0.2 0.718 108.8 49.1 -68.4 -27.4 18.9 21.7 7.0 61 61 A T H X S+ 0 0 57 -4,-0.9 4,-2.3 -3,-0.4 5,-0.2 0.907 108.4 56.8 -73.6 -41.5 22.6 22.0 6.5 62 62 A S H < S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.2 4,-0.2 0.747 106.0 48.5 -56.2 -32.7 22.2 25.7 6.1 63 63 A M H ><>S+ 0 0 0 -4,-1.2 5,-2.3 -5,-0.2 3,-1.0 0.920 114.0 47.7 -71.1 -46.8 20.6 26.0 9.5 64 64 A H H ><5S+ 0 0 103 -4,-1.2 3,-1.6 1,-0.2 -2,-0.2 0.751 100.0 62.9 -64.0 -36.9 23.4 23.9 11.0 65 65 A R T 3<5S+ 0 0 167 -4,-2.3 -1,-0.2 1,-0.3 -30,-0.2 0.555 107.2 48.1 -66.8 -10.7 26.3 25.8 9.4 66 66 A L T < 5S- 0 0 0 -3,-1.0 -27,-2.0 -5,-0.2 -1,-0.3 0.143 125.2-106.3-109.4 11.4 25.1 28.8 11.4 67 67 A G T < 5S+ 0 0 30 -3,-1.6 -26,-0.6 1,-0.2 -3,-0.2 0.514 70.2 144.3 79.7 6.3 24.9 26.7 14.6 68 68 A A < - 0 0 4 -5,-2.3 2,-0.3 -28,-0.2 -1,-0.2 -0.331 45.9-123.6 -79.4 158.3 21.0 26.3 14.8 69 69 A S E -b 43 0A 64 -27,-2.8 -25,-2.6 -30,-0.3 2,-0.4 -0.688 22.2-148.4 -99.9 153.1 19.1 23.3 16.0 70 70 A V E +b 44 0A 31 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.985 20.5 170.6-127.4 128.6 16.5 21.6 13.8 71 71 A V E +b 45 0A 71 -27,-2.0 -25,-2.4 -2,-0.4 2,-0.3 -0.933 34.7 103.4-120.2 154.3 13.3 19.7 14.7 72 72 A G E -b 46 0A 53 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.972 46.0-102.8 172.1-157.5 10.9 18.7 11.8 73 73 A F E -b 47 0A 45 -27,-3.0 -25,-2.5 -2,-0.3 2,-0.6 -0.935 9.4-146.9-169.1 146.0 9.4 16.2 9.5 74 74 A S E -b 48 0A 56 -2,-0.3 2,-0.5 -27,-0.1 -25,-0.2 -0.969 37.4-157.4-106.9 113.9 9.1 14.7 6.0 75 75 A D + 0 0 11 -27,-2.3 -24,-0.8 -2,-0.6 2,-0.3 -0.852 25.1 175.2 -96.1 143.4 5.5 13.7 5.8 76 76 A S S S- 0 0 93 -2,-0.5 -26,-0.1 -26,-0.1 -27,-0.1 -0.806 77.5 -63.7-144.6 90.2 4.3 11.1 3.5 77 77 A A S S+ 0 0 92 -2,-0.3 -2,-0.1 -28,-0.3 -28,-0.0 0.597 125.3 80.5 33.1 33.2 0.5 10.9 4.5 78 78 A N + 0 0 85 3,-0.1 2,-0.2 5,-0.0 -1,-0.2 0.590 48.9 114.5-136.2 -14.0 1.3 9.6 8.0 79 79 A T - 0 0 25 1,-0.2 5,-0.2 3,-0.1 -4,-0.0 -0.493 61.2-139.8 -63.6 122.4 2.3 12.6 10.3 80 80 A S S >> S+ 0 0 83 -2,-0.2 4,-1.0 3,-0.1 3,-0.7 0.915 79.5 75.2 -52.6 -47.5 -0.4 12.9 12.9 81 81 A L T 34 S+ 0 0 42 1,-0.2 -2,-0.1 2,-0.2 -3,-0.1 -0.446 101.9 10.9 -78.0 151.8 -0.4 16.7 12.7 82 82 A G T 34 S+ 0 0 13 -2,-0.2 -1,-0.2 5,-0.2 6,-0.1 0.871 120.3 74.1 54.1 45.5 -1.9 18.7 10.0 83 83 A K T <4 S+ 0 0 85 -3,-0.7 -2,-0.2 4,-0.1 -3,-0.1 0.396 73.3 54.7-141.6 -78.1 -3.5 15.6 8.8 84 84 A K S < S- 0 0 180 -4,-1.0 -3,-0.1 1,-0.2 3,-0.1 0.683 134.5 -53.2 -43.2 -34.6 -6.6 13.8 10.4 85 85 A G S S+ 0 0 62 1,-0.1 2,-0.4 2,-0.0 -1,-0.2 0.156 99.3 130.8 175.4 -15.2 -8.7 17.0 10.3 86 86 A E - 0 0 73 -6,-0.3 -1,-0.1 1,-0.1 5,-0.1 -0.462 60.7-122.8 -65.8 113.7 -6.4 19.5 12.0 87 87 A T > - 0 0 41 -2,-0.4 4,-0.8 1,-0.1 -5,-0.2 -0.215 12.0-121.5 -49.2 142.9 -6.3 22.5 9.8 88 88 A L H > S+ 0 0 9 1,-0.2 4,-1.8 2,-0.2 3,-0.2 0.797 115.9 60.4 -60.5 -28.7 -2.8 23.6 8.5 89 89 A A H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.974 105.8 44.5 -58.4 -55.7 -3.7 26.9 10.3 90 90 A D H 4 S+ 0 0 87 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.521 109.4 56.9 -64.1 -13.4 -4.0 25.2 13.7 91 91 A T H >X S+ 0 0 0 -4,-0.8 4,-2.0 -3,-0.2 3,-1.0 0.862 109.1 45.3 -78.9 -49.4 -0.8 23.2 13.1 92 92 A I H 3X S+ 0 0 0 -4,-1.8 4,-3.0 1,-0.2 -2,-0.2 0.895 104.9 64.0 -59.6 -39.9 1.2 26.4 12.5 93 93 A S H 3< S+ 0 0 44 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.716 111.8 34.7 -57.2 -26.5 -0.5 27.9 15.6 94 94 A V H X4 S+ 0 0 62 -3,-1.0 3,-0.7 -4,-0.3 4,-0.4 0.722 116.4 52.3-100.6 -26.3 1.1 25.3 17.8 95 95 A I H >X S+ 0 0 9 -4,-2.0 3,-1.9 1,-0.2 4,-1.2 0.921 100.6 66.3 -66.3 -45.5 4.5 25.0 16.0 96 96 A S T 3< S+ 0 0 16 -4,-3.0 -1,-0.2 1,-0.3 25,-0.2 0.518 94.0 60.3 -52.4 -7.3 4.8 28.8 16.2 97 97 A T T <4 S+ 0 0 116 -3,-0.7 -1,-0.3 -5,-0.2 -2,-0.2 0.716 111.8 31.1 -97.4 -22.2 5.2 28.6 20.0 98 98 A Y T <4 S+ 0 0 142 -3,-1.9 2,-0.2 -4,-0.4 -2,-0.2 0.545 109.6 61.3-114.9 -5.8 8.3 26.4 20.3 99 99 A V < - 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