==== 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 1RAA . 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) . 42166.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 630 68.0 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 . 93 10.0 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 . 2 0.2 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 . 81 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 118 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 210 22.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.9 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 1 4 2 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 4 3 4 2 2 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 82 0, 0.0 306,-0.2 0, 0.0 305,-0.1 0.000 360.0 360.0 360.0-173.7 37.1 46.8 -8.8 2 2 A N > - 0 0 24 304,-2.8 3,-1.3 303,-0.2 305,-0.0 -0.362 360.0-106.7 -69.9 157.4 36.1 43.7 -6.8 3 3 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 16,-0.1 0.853 118.0 41.8 -51.8 -38.0 33.8 44.6 -3.8 4 4 A L T > S+ 0 0 0 15,-0.1 3,-2.2 2,-0.1 2,-0.1 0.499 79.1 136.8 -95.4 1.8 36.5 44.0 -1.2 5 5 A Y T < S- 0 0 54 -3,-1.3 298,-0.2 1,-0.3 299,-0.1 -0.286 84.5 -5.7 -57.0 123.6 39.4 45.6 -3.1 6 6 A Q T 3 S+ 0 0 88 297,-1.7 -1,-0.3 1,-0.2 2,-0.2 0.529 102.7 140.0 68.4 12.5 41.4 47.8 -0.6 7 7 A K < - 0 0 80 -3,-2.2 2,-0.3 295,-0.1 -1,-0.2 -0.557 55.8-117.6 -85.9 152.9 38.9 47.2 2.2 8 8 A H - 0 0 57 -2,-0.2 2,-0.8 115,-0.1 3,-0.2 -0.631 18.9-150.6 -88.3 136.6 39.7 46.5 5.9 9 9 A I B +a 125 0A 0 115,-1.6 117,-2.4 -2,-0.3 127,-0.1 -0.830 45.1 134.5-112.8 88.5 38.5 43.1 7.1 10 10 A I + 0 0 4 -2,-0.8 2,-0.4 1,-0.3 -1,-0.2 0.802 60.6 18.5-110.0 -36.0 37.8 43.7 10.7 11 11 A S > - 0 0 0 -3,-0.2 3,-1.2 1,-0.1 -1,-0.3 -0.996 53.6-136.5-140.7 148.9 34.5 42.1 11.6 12 12 A I G > S+ 0 0 0 -2,-0.4 3,-2.0 1,-0.3 -1,-0.1 0.832 107.4 66.3 -62.1 -29.3 32.0 39.4 10.3 13 13 A N G 3 S+ 0 0 72 1,-0.3 -1,-0.3 -3,-0.1 0, 0.0 0.766 97.1 53.5 -62.5 -31.6 29.3 41.9 11.1 14 14 A D G < S+ 0 0 78 -3,-1.2 2,-0.5 2,-0.1 -1,-0.3 0.286 93.6 83.0 -79.5 -5.6 30.6 44.2 8.5 15 15 A L S < S- 0 0 3 -3,-2.0 2,-0.1 -4,-0.1 -6,-0.0 -0.934 71.0-140.4-113.8 134.2 30.6 41.6 5.6 16 16 A S > - 0 0 51 -2,-0.5 4,-2.4 1,-0.1 5,-0.2 -0.284 31.2-100.4 -78.6 172.2 27.3 41.0 3.7 17 17 A R H > S+ 0 0 93 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.931 126.7 52.2 -59.8 -42.3 26.1 37.5 2.5 18 18 A D H > S+ 0 0 111 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.951 107.3 51.2 -64.7 -44.7 27.4 38.4 -1.0 19 19 A D H > S+ 0 0 18 1,-0.2 4,-2.4 2,-0.2 3,-0.3 0.961 110.7 49.1 -58.1 -46.2 30.9 39.4 0.4 20 20 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.878 112.1 49.1 -59.8 -34.9 31.1 36.0 2.3 21 21 A N H X S+ 0 0 48 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.900 108.2 53.0 -74.4 -33.7 30.1 34.2 -0.9 22 22 A L H X S+ 0 0 50 -4,-2.3 4,-2.5 -3,-0.3 -1,-0.2 0.887 109.6 48.4 -67.4 -41.9 32.6 36.0 -3.0 23 23 A V H X S+ 0 0 1 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.959 114.1 46.9 -62.6 -45.4 35.4 35.1 -0.6 24 24 A L H X S+ 0 0 2 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.792 111.0 51.3 -66.3 -32.3 34.2 31.5 -0.7 25 25 A A H X S+ 0 0 45 -4,-2.4 4,-1.5 2,-0.2 3,-0.3 0.941 112.2 45.9 -67.5 -50.8 34.0 31.4 -4.4 26 26 A T H X S+ 0 0 3 -4,-2.5 4,-2.6 1,-0.2 3,-0.5 0.943 108.1 56.7 -58.8 -45.9 37.5 32.8 -4.8 27 27 A A H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.3 -1,-0.2 0.842 105.1 52.0 -59.9 -34.9 39.0 30.4 -2.2 28 28 A A H X S+ 0 0 47 -4,-1.3 4,-2.2 -3,-0.3 -1,-0.3 0.889 110.6 48.4 -66.2 -35.9 37.6 27.4 -4.2 29 29 A K H X S+ 0 0 71 -4,-1.5 4,-3.2 -3,-0.5 -2,-0.2 0.913 112.4 47.8 -67.4 -45.9 39.3 28.7 -7.4 30 30 A L H < S+ 0 0 1 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.853 110.4 52.6 -65.6 -33.2 42.6 29.3 -5.7 31 31 A K H < S+ 0 0 71 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.978 117.4 38.4 -63.2 -52.0 42.4 25.8 -4.2 32 32 A A H < S+ 0 0 69 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.871 129.6 23.9 -65.7 -41.4 41.8 24.4 -7.7 33 33 A N S < S- 0 0 98 -4,-3.2 -1,-0.2 -5,-0.1 -2,-0.1 -0.884 82.8-145.8-136.2 95.0 44.2 26.6 -9.8 34 34 A P - 0 0 91 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.361 8.6-161.6 -62.3 138.4 47.1 28.0 -7.8 35 35 A Q > + 0 0 60 30,-0.1 3,-1.6 1,-0.1 -5,-0.0 -0.527 13.9 174.8-122.0 76.9 48.4 31.4 -8.7 36 36 A P T 3 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 30,-0.1 0.331 74.1 44.7 -64.8 2.2 51.8 31.6 -7.0 37 37 A E T > S+ 0 0 141 3,-0.1 3,-1.0 1,-0.1 30,-0.1 0.093 77.0 111.6-132.7 24.6 53.1 35.0 -8.3 38 38 A L T < S+ 0 0 35 -3,-1.6 29,-0.2 1,-0.2 28,-0.1 0.874 88.4 30.3 -63.5 -39.3 49.9 36.9 -7.8 39 39 A L T > S+ 0 0 0 27,-3.2 3,-2.3 24,-0.2 30,-0.3 -0.045 83.3 153.7-117.0 33.1 51.3 39.1 -5.0 40 40 A K T < S+ 0 0 103 -3,-1.0 28,-0.2 1,-0.3 3,-0.1 -0.410 70.6 19.7 -58.9 136.4 54.8 39.1 -6.3 41 41 A H T 3 S+ 0 0 160 26,-0.4 2,-0.3 1,-0.3 -1,-0.3 0.468 96.1 120.5 78.1 5.4 56.5 42.4 -5.0 42 42 A K < - 0 0 63 -3,-2.3 27,-2.8 25,-0.1 2,-0.5 -0.774 49.2-155.9 -97.2 144.3 54.0 42.9 -2.2 43 43 A V E -b 69 0A 50 -2,-0.3 57,-2.8 25,-0.2 58,-0.8 -0.995 10.0-169.2-116.7 122.1 55.3 43.0 1.4 44 44 A I E -bc 70 101A 0 25,-2.5 27,-1.9 -2,-0.5 2,-0.5 -0.854 15.9-135.1-102.9 147.1 52.8 42.1 4.1 45 45 A A E -bc 71 102A 2 56,-1.9 58,-2.5 -2,-0.4 2,-1.0 -0.910 6.5-157.4-102.6 126.1 53.5 42.7 7.9 46 46 A S E +bc 72 103A 0 25,-2.2 27,-2.5 -2,-0.5 2,-1.1 -0.799 19.1 179.5-105.7 84.9 52.5 39.8 10.3 47 47 A C E +bc 73 104A 2 56,-2.0 58,-1.7 -2,-1.0 2,-1.3 -0.689 5.1 175.7 -88.3 87.2 52.2 41.8 13.5 48 48 A F E +bc 74 105A 0 25,-2.8 27,-1.8 -2,-1.1 58,-0.2 -0.650 11.6 172.0 -96.3 92.4 51.2 39.4 16.2 49 49 A F S S+ 0 0 17 56,-1.8 2,-0.4 -2,-1.3 57,-0.2 0.720 80.7 45.6 -68.2 -14.1 51.2 41.4 19.3 50 50 A E S S- 0 0 60 55,-0.9 2,-0.2 -3,-0.2 -1,-0.2 -0.998 97.7-119.6-130.2 129.3 49.7 38.2 20.8 51 51 A A + 0 0 42 -2,-0.4 2,-0.1 24,-0.3 23,-0.1 -0.459 41.6 154.9 -80.2 139.9 51.2 34.9 19.9 52 52 A S > - 0 0 23 -2,-0.2 4,-2.5 1,-0.0 3,-0.3 -0.681 18.7-170.2-158.5 88.2 49.4 32.3 18.2 53 53 A T H > S+ 0 0 94 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.925 83.9 52.1 -54.5 -39.9 51.7 30.0 16.3 54 54 A R H > S+ 0 0 143 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.826 114.8 40.5 -66.9 -40.0 48.9 28.1 14.4 55 55 A T H > S+ 0 0 11 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.844 115.2 53.5 -74.5 -40.6 47.2 31.3 13.0 56 56 A R H X S+ 0 0 60 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.979 110.5 44.7 -66.3 -46.9 50.5 32.9 12.3 57 57 A L H X S+ 0 0 82 -4,-2.9 4,-2.2 -5,-0.2 5,-0.2 0.853 110.7 53.8 -67.8 -34.3 51.8 30.0 10.3 58 58 A S H X S+ 0 0 15 -4,-1.1 4,-2.1 -5,-0.3 -1,-0.2 0.960 113.5 43.8 -60.5 -43.2 48.6 29.6 8.3 59 59 A F H X S+ 0 0 2 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.890 113.3 47.6 -71.7 -47.6 48.7 33.3 7.3 60 60 A E H X S+ 0 0 37 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.914 112.4 50.5 -62.3 -44.6 52.4 33.5 6.5 61 61 A T H X S+ 0 0 52 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.915 110.2 51.8 -58.1 -40.7 52.1 30.3 4.4 62 62 A S H X S+ 0 0 0 -4,-2.1 4,-0.7 -5,-0.2 -2,-0.2 0.957 109.8 49.4 -56.2 -47.7 49.0 32.0 2.7 63 63 A M H ><>S+ 0 0 0 -4,-2.5 5,-2.2 1,-0.2 3,-1.2 0.941 115.4 42.5 -54.8 -50.4 51.2 35.0 2.0 64 64 A H H ><5S+ 0 0 111 -4,-3.0 3,-1.5 1,-0.3 -1,-0.2 0.818 104.2 63.1 -72.0 -28.8 54.0 32.9 0.6 65 65 A R H 3<5S+ 0 0 162 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.648 107.8 45.0 -71.2 -18.8 51.8 30.7 -1.5 66 66 A L T <<5S- 0 0 0 -3,-1.2 -27,-3.2 -4,-0.7 -1,-0.3 0.106 123.4-108.6-107.7 12.1 50.7 33.8 -3.5 67 67 A G T < 5 + 0 0 28 -3,-1.5 -26,-0.4 1,-0.2 -3,-0.2 0.498 68.9 142.5 81.2 8.3 54.2 34.9 -3.7 68 68 A A < - 0 0 3 -5,-2.2 -1,-0.2 -6,-0.2 2,-0.2 -0.344 47.7-119.8 -79.0 161.0 54.2 37.8 -1.3 69 69 A S E -b 43 0A 66 -27,-2.8 -25,-2.5 -30,-0.3 2,-0.4 -0.629 25.6-147.9 -89.8 164.0 57.1 38.8 1.0 70 70 A V E +b 44 0A 35 -27,-0.2 2,-0.3 -2,-0.2 -25,-0.2 -0.989 22.4 168.4-140.8 132.0 56.7 38.9 4.9 71 71 A V E +b 45 0A 76 -27,-1.9 -25,-2.2 -2,-0.4 2,-0.3 -0.940 35.5 101.6-129.0 153.5 58.2 41.0 7.7 72 72 A G E -b 46 0A 46 -2,-0.3 2,-0.3 -27,-0.3 -25,-0.2 -0.983 45.8-125.8 170.5-155.2 56.6 41.0 11.2 73 73 A F E -b 47 0A 54 -27,-2.5 -25,-2.8 -2,-0.3 2,-0.3 -0.954 6.6-138.5-169.1 170.1 56.9 39.6 14.7 74 74 A S E -b 48 0A 37 -2,-0.3 2,-0.6 -27,-0.2 -25,-0.2 -0.976 25.3-153.1-132.6 142.8 55.1 37.7 17.6 75 75 A D + 0 0 38 -27,-1.8 2,-0.5 -2,-0.3 -24,-0.3 -0.850 29.1 156.3-129.5 103.3 55.6 39.1 21.1 76 76 A S S S- 0 0 79 -2,-0.6 3,-0.1 -26,-0.1 -2,-0.1 -0.996 88.1 -32.4-112.2 130.7 55.3 37.1 24.2 77 77 A A S S+ 0 0 103 -2,-0.5 2,-0.2 1,-0.1 -1,-0.1 0.697 127.4 62.1 24.5 66.3 57.4 38.9 27.0 78 78 A N + 0 0 136 1,-0.1 -1,-0.1 0, 0.0 -3,-0.1 -0.771 62.1 65.7-172.2-161.1 60.0 40.3 24.6 79 79 A T - 0 0 81 -2,-0.2 2,-0.7 -3,-0.1 -1,-0.1 0.509 69.9-107.6 2.9 102.4 60.4 42.7 21.5 80 80 A S > + 0 0 87 2,-0.1 3,-1.6 3,-0.0 6,-0.2 0.073 69.5 105.9 1.8 -48.5 59.8 46.4 21.7 81 81 A L T 3 S+ 0 0 64 -2,-0.7 7,-0.1 1,-0.3 6,-0.0 -0.286 86.2 19.0 -85.3 146.1 56.6 47.6 19.9 82 82 A G T 3 S+ 0 0 31 5,-0.2 2,-0.5 -2,-0.0 -1,-0.3 0.135 85.1 166.5 88.7 -11.5 53.5 48.8 21.6 83 83 A K < - 0 0 163 -3,-1.6 -2,-0.1 1,-0.2 2,-0.1 0.214 58.5 -90.9 10.8 -51.8 56.0 49.1 24.6 84 84 A K S S+ 0 0 203 2,-0.6 -1,-0.2 -2,-0.5 2,-0.2 0.438 126.4 44.2 98.5 99.4 53.8 51.2 26.9 85 85 A G S S+ 0 0 73 1,-0.3 2,-0.4 -3,-0.2 -2,-0.1 -0.672 99.0 77.5 133.0 -65.7 54.9 54.6 25.9 86 86 A E S S- 0 0 66 -6,-0.2 -2,-0.6 -2,-0.2 -1,-0.3 -0.538 83.9-139.6 -64.3 117.0 54.7 53.7 22.2 87 87 A T > - 0 0 31 -2,-0.4 4,-2.0 -3,-0.1 3,-0.4 -0.438 15.8-121.1 -72.6 158.3 51.0 53.8 21.3 88 88 A L H > S+ 0 0 7 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.970 115.7 59.0 -59.2 -42.8 49.4 51.2 19.0 89 89 A A H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.745 106.6 44.1 -55.1 -33.0 48.4 54.2 16.8 90 90 A D H > S+ 0 0 77 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.847 110.2 54.8 -86.8 -28.5 52.0 55.3 16.4 91 91 A T H X S+ 0 0 1 -4,-2.0 4,-3.2 2,-0.2 3,-0.4 0.970 114.9 41.6 -59.2 -51.7 53.2 51.7 15.8 92 92 A I H X S+ 0 0 0 -4,-2.8 4,-3.4 1,-0.3 -2,-0.2 0.958 110.4 55.3 -66.0 -53.7 50.6 51.5 13.0 93 93 A S H < S+ 0 0 46 -4,-1.9 -1,-0.3 2,-0.2 -2,-0.2 0.753 116.0 40.5 -45.7 -38.0 51.3 55.0 11.6 94 94 A V H >< S+ 0 0 68 -4,-1.7 3,-2.1 -3,-0.4 4,-0.4 0.956 115.4 47.4 -79.2 -58.7 54.9 54.0 11.3 95 95 A I H >X S+ 0 0 23 -4,-3.2 3,-2.2 1,-0.3 4,-1.7 0.861 101.9 68.5 -54.1 -27.6 54.5 50.4 10.0 96 96 A S T 3< S+ 0 0 18 -4,-3.4 -1,-0.3 1,-0.3 25,-0.2 0.473 95.8 53.3 -77.4 4.0 51.9 51.7 7.4 97 97 A T T <4 S+ 0 0 112 -3,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.399 110.4 48.3-103.7 -6.8 54.6 53.5 5.5 98 98 A Y T <4 S+ 0 0 170 -3,-2.2 -2,-0.2 -4,-0.4 2,-0.2 0.802 110.1 44.5 -97.5 -38.9 56.7 50.4 5.2 99 99 A V < - 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