==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-MAY-97 1AKM . COMPND 2 MOLECULE: ORNITHINE TRANSCARBAMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.F.HEAD,B.SEATON,L.JIN . 966 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34119.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 752 77.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 135 14.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 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-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 . 3 0.3 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 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 125 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 338 35.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 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 6 6 0 0 0 3 3 3 0 9 3 0 0 0 0 3 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 0 3 6 12 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 3 3 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 S 0 0 120 0, 0.0 14,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 138.3 15.2 82.2 -0.1 2 2 A G - 0 0 52 1,-0.2 318,-0.0 3,-0.0 321,-0.0 0.285 360.0-150.1 -24.1 122.8 13.7 79.8 2.4 3 3 A F > + 0 0 30 316,-0.1 3,-2.4 2,-0.1 -1,-0.2 0.674 60.1 125.3 -71.3 -15.3 16.2 77.7 4.3 4 4 A Y T 3 S- 0 0 100 1,-0.3 316,-0.2 317,-0.1 317,-0.2 -0.207 87.5 -10.7 -63.3 122.9 13.5 75.0 4.5 5 5 A H T 3 S+ 0 0 91 315,-2.5 -1,-0.3 1,-0.2 315,-0.1 0.462 100.2 138.5 59.9 18.6 14.8 71.8 3.1 6 6 A K < - 0 0 50 -3,-2.4 -1,-0.2 313,-0.1 2,-0.2 -0.296 50.6-126.7 -77.4 157.1 17.9 73.4 1.7 7 7 A H - 0 0 55 116,-0.2 2,-0.3 -3,-0.1 118,-0.2 -0.439 9.4-138.0 -85.4 179.0 21.3 71.7 2.0 8 8 A F B +a 125 0A 0 116,-2.7 118,-2.8 -2,-0.2 127,-0.1 -0.761 46.4 140.9-145.6 93.1 24.3 73.5 3.6 9 9 A L S S- 0 0 11 1,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.471 70.6 -9.7-112.9 -16.0 27.2 72.6 1.4 10 10 A K > - 0 0 30 1,-0.1 3,-0.8 123,-0.1 -1,-0.4 -0.892 66.0-111.7-174.0 158.0 29.3 75.9 1.2 11 11 A L G > S+ 0 0 1 -2,-0.3 3,-2.1 1,-0.2 -1,-0.1 0.929 107.0 65.4 -71.4 -39.1 28.7 79.5 2.3 12 12 A L G 3 S+ 0 0 38 1,-0.3 -1,-0.2 -3,-0.1 163,-0.0 0.534 83.6 74.5 -65.4 -5.9 28.5 81.0 -1.2 13 13 A D G < S+ 0 0 82 -3,-0.8 -1,-0.3 2,-0.1 2,-0.3 0.400 95.3 66.9 -79.5 5.5 25.3 79.1 -2.0 14 14 A F S < S- 0 0 12 -3,-2.1 -6,-0.0 4,-0.0 -3,-0.0 -0.865 83.8-122.9-121.2 156.5 23.6 81.6 0.4 15 15 A T >> - 0 0 68 -2,-0.3 4,-2.8 1,-0.1 3,-0.5 -0.623 34.0-107.6 -84.9 163.4 23.1 85.4 0.1 16 16 A P H 3> S+ 0 0 52 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.843 123.4 54.9 -54.1 -29.6 24.5 87.8 2.8 17 17 A A H 3> S+ 0 0 65 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.890 108.8 46.6 -76.6 -31.1 20.9 88.2 4.0 18 18 A E H <> S+ 0 0 14 -3,-0.5 4,-2.6 2,-0.2 3,-0.3 0.977 113.3 48.9 -69.2 -52.2 20.4 84.5 4.3 19 19 A L H X S+ 0 0 4 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.948 110.6 50.9 -48.4 -53.7 23.8 84.2 6.2 20 20 A N H X S+ 0 0 80 -4,-2.8 4,-2.7 1,-0.3 -1,-0.2 0.820 109.0 52.1 -56.0 -36.3 22.7 87.1 8.5 21 21 A S H X S+ 0 0 65 -4,-1.7 4,-2.8 -3,-0.3 -1,-0.3 0.939 109.3 47.8 -66.0 -50.4 19.5 85.3 9.2 22 22 A L H X S+ 0 0 2 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.984 112.3 51.2 -52.1 -55.8 21.3 82.0 10.1 23 23 A L H X S+ 0 0 1 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.892 111.6 46.3 -52.9 -41.5 23.6 84.0 12.4 24 24 A Q H X S+ 0 0 84 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.933 110.9 51.7 -71.4 -35.4 20.7 85.7 14.1 25 25 A L H X S+ 0 0 48 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.932 108.3 53.5 -61.0 -40.6 18.8 82.4 14.5 26 26 A A H X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.812 109.8 48.3 -60.3 -36.3 22.0 81.0 16.1 27 27 A A H X S+ 0 0 27 -4,-1.6 4,-2.3 -5,-0.3 -1,-0.2 0.871 109.6 50.0 -77.9 -37.8 22.1 83.9 18.5 28 28 A K H X S+ 0 0 105 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.955 113.4 46.9 -63.9 -45.4 18.3 83.5 19.6 29 29 A L H X S+ 0 0 7 -4,-2.6 4,-2.1 2,-0.2 5,-0.3 0.865 110.7 52.7 -65.6 -35.7 18.8 79.8 20.2 30 30 A K H X S+ 0 0 17 -4,-1.6 4,-2.3 -5,-0.2 3,-0.3 0.983 112.8 44.2 -60.5 -52.6 22.0 80.5 22.2 31 31 A A H X S+ 0 0 56 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.880 112.8 53.1 -61.3 -35.4 20.2 83.0 24.4 32 32 A D H <>S+ 0 0 15 -4,-2.6 5,-2.5 2,-0.2 6,-0.3 0.870 110.2 45.0 -69.8 -36.9 17.3 80.7 24.8 33 33 A K H ><5S+ 0 0 56 -4,-2.1 3,-2.2 -3,-0.3 -2,-0.2 0.983 116.0 47.9 -69.2 -52.8 19.3 77.6 26.0 34 34 A K H 3<5S+ 0 0 123 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.866 114.8 45.5 -57.6 -33.9 21.3 79.8 28.3 35 35 A S T 3<5S- 0 0 64 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.437 114.0-116.3 -87.2 -9.4 18.1 81.4 29.6 36 36 A G T < 5S+ 0 0 69 -3,-2.2 -3,-0.2 -4,-0.3 -2,-0.1 0.633 87.6 99.4 88.1 14.4 16.2 78.0 30.0 37 37 A K < + 0 0 134 -5,-2.5 2,-0.3 -6,-0.2 -4,-0.2 -0.274 41.8 156.6-135.2 57.9 13.4 78.6 27.4 38 38 A E - 0 0 45 -6,-0.3 2,-0.9 -5,-0.2 -9,-0.1 -0.611 36.7-140.1 -77.2 128.5 14.6 76.8 24.3 39 39 A E - 0 0 135 -2,-0.3 2,-0.6 2,-0.0 -2,-0.1 -0.853 14.8-141.8 -94.6 103.7 11.8 75.8 22.0 40 40 A A + 0 0 43 -2,-0.9 3,-0.3 1,-0.2 29,-0.1 -0.546 26.7 173.9 -62.5 109.0 12.7 72.4 20.7 41 41 A K + 0 0 93 -2,-0.6 -1,-0.2 1,-0.2 282,-0.1 0.373 68.7 57.7-103.6 5.4 11.6 72.6 17.1 42 42 A L > + 0 0 3 27,-2.0 3,-1.9 24,-0.2 2,-0.6 0.043 62.3 145.6-120.7 33.1 12.9 69.2 15.9 43 43 A T T 3 S+ 0 0 92 -3,-0.3 27,-0.1 1,-0.3 -1,-0.1 0.405 76.5 27.1 -63.5 10.3 11.1 66.9 18.3 44 44 A G T 3 S+ 0 0 36 -2,-0.6 -1,-0.3 -3,-0.1 2,-0.1 0.511 91.2 119.0-144.3 0.8 10.5 64.0 16.0 45 45 A K < - 0 0 62 -3,-1.9 27,-2.1 21,-0.1 2,-0.5 -0.368 47.5-153.0 -77.6 143.0 13.4 64.3 13.5 46 46 A N E -b 72 0A 0 25,-0.2 55,-2.8 -2,-0.1 56,-0.8 -0.982 14.9-167.4-117.8 122.4 16.0 61.6 13.0 47 47 A I E -bc 73 102A 0 25,-2.4 27,-2.0 -2,-0.5 2,-0.4 -0.843 10.0-147.1-109.9 143.9 19.4 62.9 11.8 48 48 A A E -bc 74 103A 0 54,-2.2 56,-3.2 -2,-0.4 2,-0.7 -0.951 5.8-157.4-111.9 132.9 22.2 60.7 10.5 49 49 A L E -bc 75 104A 0 25,-2.6 27,-3.1 -2,-0.4 2,-0.6 -0.910 8.1-169.6-115.2 99.8 25.8 61.9 11.1 50 50 A I E -bc 76 105A 9 54,-2.9 56,-1.8 -2,-0.7 2,-0.5 -0.825 5.5-179.3 -91.4 125.6 28.2 60.3 8.5 51 51 A F E + c 0 106A 2 25,-2.7 56,-0.2 -2,-0.6 3,-0.1 -0.936 12.1 175.8-125.6 99.6 31.8 60.9 9.5 52 52 A E S S+ 0 0 6 54,-3.5 2,-0.4 -2,-0.5 55,-0.2 0.753 82.6 26.4 -72.1 -27.1 34.2 59.5 7.0 53 53 A K S S- 0 0 95 53,-0.6 -1,-0.3 -3,-0.1 53,-0.0 -0.997 101.6 -97.9-134.7 143.9 37.0 61.0 8.9 54 54 A D + 0 0 77 -2,-0.4 2,-0.1 -3,-0.1 -2,-0.1 0.185 35.8 167.8 -58.5 166.6 36.9 61.7 12.6 55 55 A S > - 0 0 13 -4,-0.1 4,-1.5 1,-0.1 5,-0.2 -0.433 19.7-163.4-178.6 107.7 36.2 64.8 14.5 56 56 A T H > S+ 0 0 75 1,-0.2 4,-2.1 2,-0.1 -1,-0.1 0.958 94.2 46.8 -54.3 -47.7 35.6 64.8 18.3 57 57 A R H > S+ 0 0 44 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.734 107.0 47.1 -66.5 -51.2 34.1 68.3 17.9 58 58 A T H > S+ 0 0 1 2,-0.2 4,-2.9 3,-0.2 5,-0.3 0.950 113.5 52.3 -65.3 -42.6 31.8 68.3 15.0 59 59 A R H X S+ 0 0 24 -4,-1.5 4,-3.1 1,-0.2 -2,-0.2 0.958 111.4 46.4 -54.5 -53.0 30.1 65.1 16.3 60 60 A C H X S+ 0 0 7 -4,-2.1 4,-2.9 -5,-0.2 5,-0.4 0.920 113.3 48.3 -57.1 -49.4 29.6 66.7 19.7 61 61 A S H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.924 115.3 45.4 -60.0 -38.9 28.2 70.0 18.3 62 62 A F H X S+ 0 0 1 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.879 115.7 46.0 -74.2 -34.5 25.8 68.0 16.0 63 63 A E H X S+ 0 0 4 -4,-3.1 4,-2.4 -5,-0.3 -2,-0.2 0.980 116.6 42.4 -72.5 -52.0 24.7 65.7 18.8 64 64 A V H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 5,-0.2 0.898 116.3 50.1 -60.4 -41.9 24.2 68.4 21.5 65 65 A A H X S+ 0 0 0 -4,-2.3 4,-1.2 -5,-0.4 -1,-0.2 0.953 113.5 43.8 -60.1 -53.0 22.5 70.7 19.0 66 66 A A H ><>S+ 0 0 0 -4,-2.1 5,-2.2 1,-0.2 3,-0.7 0.946 114.3 50.6 -54.7 -52.7 20.1 68.0 17.7 67 67 A Y H ><5S+ 0 0 27 -4,-2.4 3,-1.1 1,-0.3 -1,-0.2 0.775 103.6 56.2 -58.3 -42.0 19.3 66.7 21.1 68 68 A D H 3<5S+ 0 0 16 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.813 110.2 48.6 -60.0 -33.0 18.4 70.1 22.7 69 69 A Q T <<5S- 0 0 1 -4,-1.2 -27,-2.0 -3,-0.7 -1,-0.2 0.362 124.8-101.3 -89.2 2.2 15.9 70.5 19.9 70 70 A G T < 5S+ 0 0 23 -3,-1.1 -3,-0.2 1,-0.3 2,-0.2 0.537 77.1 130.0 96.2 7.3 14.3 67.0 20.3 71 71 A A < - 0 0 3 -5,-2.2 2,-0.4 -6,-0.2 -1,-0.3 -0.566 50.8-132.8 -96.0 157.5 15.9 65.1 17.5 72 72 A R E -b 46 0A 54 -27,-2.1 -25,-2.4 -2,-0.2 2,-0.3 -0.881 19.9-143.5-109.1 146.7 17.6 61.7 17.8 73 73 A V E -b 47 0A 4 -2,-0.4 2,-0.6 -27,-0.2 -25,-0.2 -0.873 11.6-161.5-112.4 140.3 21.0 61.1 16.2 74 74 A T E -b 48 0A 0 -27,-2.0 -25,-2.6 -2,-0.3 2,-0.6 -0.960 19.5-152.3-116.3 104.9 22.5 58.0 14.5 75 75 A Y E -b 49 0A 40 -2,-0.6 2,-0.7 -27,-0.2 -25,-0.2 -0.695 10.9-170.9 -81.5 121.8 26.3 58.4 14.4 76 76 A L E -b 50 0A 25 -27,-3.1 -25,-2.7 -2,-0.6 3,-0.1 -0.880 19.3-172.6-111.5 95.4 27.9 56.6 11.4 77 77 A G > - 0 0 10 -2,-0.7 3,-0.9 -27,-0.2 2,-0.7 -0.310 41.3 -69.6 -89.7 173.7 31.6 56.8 12.1 78 78 A P T 3 S+ 0 0 45 0, 0.0 -1,-0.1 0, 0.0 -26,-0.1 -0.444 102.4 92.6 -63.9 99.2 34.7 55.9 10.1 79 79 A S T 3 + 0 0 95 -2,-0.7 3,-0.1 1,-0.6 623,-0.1 0.127 62.8 72.0-159.3 -42.9 34.2 52.1 10.3 80 80 A G S < S- 0 0 38 -3,-0.9 -1,-0.6 1,-0.1 3,-0.1 -0.449 104.3 -84.7 -77.6 156.7 32.3 50.9 7.3 81 81 A S - 0 0 62 1,-0.1 5,-0.1 -3,-0.1 3,-0.1 -0.455 68.1 -95.0 -49.7 137.2 34.2 51.0 3.9 82 82 A Q > - 0 0 46 1,-0.2 3,-3.0 -3,-0.1 4,-0.2 -0.343 46.0 -79.1 -80.0 146.1 33.7 54.6 2.8 83 83 A I T 3 S+ 0 0 24 1,-0.3 -1,-0.2 2,-0.1 5,-0.1 -0.185 121.8 32.3 -39.6 111.9 31.0 55.7 0.5 84 84 A G T 3 S+ 0 0 23 3,-1.5 837,-0.9 -3,-0.1 -1,-0.3 -0.111 101.3 83.6 121.1 -24.9 32.1 54.9 -3.1 85 85 A H S < S- 0 0 96 -3,-3.0 837,-1.4 835,-0.2 838,-0.3 0.995 114.2 -3.8 -76.3 -62.7 34.0 51.8 -2.2 86 86 A K S S+ 0 0 105 -4,-0.2 2,-0.4 1,-0.2 -1,-0.1 0.558 133.0 39.2-105.2 -17.9 31.4 49.0 -2.0 87 87 A E S S- 0 0 15 -5,-0.2 -3,-1.5 826,-0.1 -1,-0.2 -0.990 85.8-102.7-141.9 146.2 28.1 51.0 -2.7 88 88 A S >> - 0 0 14 -2,-0.4 4,-2.9 826,-0.2 3,-0.5 -0.299 19.1-132.7 -62.9 143.2 27.2 53.9 -4.9 89 89 A I H 3> S+ 0 0 22 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.958 115.4 57.8 -57.0 -45.0 26.9 57.5 -3.4 90 90 A K H 3> S+ 0 0 60 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.776 111.7 38.5 -53.1 -35.1 23.7 57.4 -5.4 91 91 A D H <> S+ 0 0 2 -3,-0.5 4,-1.9 2,-0.2 5,-0.2 0.900 113.7 52.3 -86.8 -41.3 22.5 54.3 -3.5 92 92 A T H >X S+ 0 0 22 -4,-2.9 4,-2.6 2,-0.2 3,-0.6 0.979 115.0 44.2 -51.9 -59.6 23.8 55.3 0.0 93 93 A A H 3X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.946 111.7 52.7 -50.4 -57.7 22.0 58.6 -0.3 94 94 A R H 3< S+ 0 0 48 -4,-1.2 4,-0.3 -5,-0.3 -1,-0.2 0.779 113.3 43.1 -51.9 -35.0 18.8 57.1 -1.7 95 95 A V H XX S+ 0 0 17 -4,-1.9 3,-1.6 -3,-0.6 4,-0.5 0.937 112.8 52.9 -77.1 -45.0 18.5 54.6 1.2 96 96 A L H >X S+ 0 0 15 -4,-2.6 4,-2.6 1,-0.3 3,-2.1 0.913 103.0 56.1 -60.0 -42.4 19.4 57.1 3.8 97 97 A G H 3< S+ 0 0 24 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.1 0.630 97.8 65.0 -68.1 -13.5 16.8 59.6 2.8 98 98 A R H <4 S+ 0 0 82 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.689 118.5 22.1 -77.0 -20.8 14.1 56.9 3.2 99 99 A M H << S+ 0 0 12 -3,-2.1 2,-0.3 -4,-0.5 -2,-0.2 0.762 113.4 60.6-114.3 -38.4 14.8 56.8 6.9 100 100 A Y < - 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