==== 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 LIGASE 26-OCT-01 1K97 . COMPND 2 MOLECULE: ARGININOSUCCINATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.T.LEMKE,P.L.HOWELL . 433 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21560.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 304 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 11.1 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 29 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 142 32.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.3 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 0 0 1 0 1 1 1 0 2 2 1 0 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 0 0 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 PARALLEL BRIDGES PER LADDER . 1 2 0 3 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 T 0 0 148 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 177.1 27.8 -2.5 27.2 2 2 A T + 0 0 54 1,-0.2 150,-2.6 149,-0.1 2,-0.7 0.885 360.0 56.4 -81.9 -43.0 26.7 -0.1 29.9 3 3 A I B S-a 152 0A 89 148,-0.2 2,-0.6 150,-0.0 150,-0.2 -0.835 77.8-146.4 -98.1 115.7 28.7 2.9 28.7 4 4 A L - 0 0 35 148,-3.0 150,-0.5 -2,-0.7 3,-0.0 -0.696 6.8-163.8 -80.8 120.0 27.9 4.0 25.1 5 5 A K S S+ 0 0 66 -2,-0.6 2,-0.3 148,-0.1 154,-0.2 0.839 71.5 36.3 -74.3 -33.2 31.1 5.3 23.5 6 6 A H S S- 0 0 95 152,-0.1 -1,-0.1 153,-0.1 3,-0.0 -0.921 103.4 -72.8-127.2 151.8 29.3 7.0 20.6 7 7 A L - 0 0 22 -2,-0.3 2,-1.9 1,-0.2 -2,-0.1 -0.027 39.3-132.6 -41.7 120.5 26.0 8.9 20.1 8 8 A P > - 0 0 13 0, 0.0 3,-2.1 0, 0.0 -1,-0.2 -0.549 29.0-147.0 -77.8 81.1 22.9 6.6 20.2 9 9 A V T 3 S+ 0 0 101 -2,-1.9 26,-0.2 1,-0.3 25,-0.1 -0.210 77.0 15.2 -53.6 134.0 21.3 8.0 17.0 10 10 A G T 3 S+ 0 0 58 24,-2.8 -1,-0.3 1,-0.3 2,-0.2 0.224 102.9 114.4 87.7 -12.8 17.5 7.9 17.2 11 11 A Q S < S- 0 0 97 -3,-2.1 25,-2.8 1,-0.1 2,-0.5 -0.541 72.1-108.7 -97.5 158.6 17.3 7.2 20.9 12 12 A R E -b 36 0A 118 -2,-0.2 2,-0.5 23,-0.2 111,-0.3 -0.709 37.1-170.8 -80.9 122.1 16.0 9.2 23.9 13 13 A I E -b 37 0A 0 23,-2.1 25,-3.0 -2,-0.5 2,-0.5 -0.973 10.7-150.8-120.2 123.8 19.0 10.5 25.9 14 14 A G E -bc 38 125A 0 110,-3.6 112,-1.3 -2,-0.5 2,-0.4 -0.800 16.9-172.3 -94.1 128.9 18.4 12.1 29.3 15 15 A I E -bc 39 126A 1 23,-2.8 25,-2.0 -2,-0.5 2,-1.1 -0.964 32.1-117.5-125.9 141.3 21.0 14.7 30.3 16 16 A A E -b 40 0A 18 110,-1.8 2,-1.1 -2,-0.4 112,-0.3 -0.648 35.7-161.3 -71.8 101.8 21.5 16.6 33.6 17 17 A F + 0 0 2 23,-1.9 42,-0.1 -2,-1.1 3,-0.1 -0.734 27.3 161.9 -95.2 90.0 20.9 20.1 32.3 18 18 A S - 0 0 73 -2,-1.1 -1,-0.2 1,-0.2 2,-0.1 0.705 55.1-116.5 -77.8 -19.0 22.4 22.4 34.9 19 19 A G + 0 0 20 1,-0.2 4,-0.2 -3,-0.2 -1,-0.2 -0.212 67.6 103.7 98.3 163.3 22.4 25.1 32.2 20 20 A G S > S- 0 0 38 1,-0.2 4,-2.6 2,-0.1 3,-0.2 -0.248 85.3 -64.3 107.8 159.6 25.6 26.6 30.9 21 21 A L H > S+ 0 0 13 1,-0.2 4,-3.6 2,-0.2 5,-0.4 0.857 124.8 55.6 -49.2 -50.2 27.6 26.2 27.7 22 22 A D H > S+ 0 0 60 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.923 117.4 33.2 -54.9 -51.5 28.6 22.5 28.1 23 23 A T H > S+ 0 0 1 -4,-0.2 4,-1.9 -3,-0.2 -1,-0.2 0.869 120.4 52.0 -74.7 -35.2 25.1 21.1 28.6 24 24 A S H X S+ 0 0 4 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.956 112.3 44.1 -64.6 -50.6 23.5 23.7 26.2 25 25 A A H X S+ 0 0 0 -4,-3.6 4,-2.8 -5,-0.2 -1,-0.2 0.893 111.4 55.5 -60.9 -39.9 26.0 22.9 23.4 26 26 A A H X S+ 0 0 0 -4,-1.7 4,-3.0 -5,-0.4 5,-0.3 0.883 104.4 53.6 -61.1 -40.2 25.5 19.2 24.0 27 27 A L H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.946 112.6 42.8 -59.3 -51.1 21.8 19.5 23.6 28 28 A L H X S+ 0 0 20 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.940 115.9 49.1 -60.5 -48.8 22.1 21.1 20.2 29 29 A W H X S+ 0 0 3 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.901 114.7 43.5 -59.0 -45.3 24.8 18.8 19.1 30 30 A M H <>S+ 0 0 0 -4,-3.0 5,-3.0 2,-0.2 4,-0.5 0.926 115.5 47.7 -66.8 -45.3 22.9 15.6 20.1 31 31 A R H <5S+ 0 0 83 -4,-2.7 3,-0.4 -5,-0.3 -2,-0.2 0.835 115.0 50.0 -62.3 -32.0 19.7 16.9 18.7 32 32 A Q H <5S+ 0 0 99 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.863 107.0 51.2 -75.0 -40.0 21.7 17.8 15.6 33 33 A K T <5S- 0 0 71 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.429 128.7 -89.4 -81.0 2.3 23.4 14.4 15.3 34 34 A G T 5S+ 0 0 38 -4,-0.5 -24,-2.8 -3,-0.4 2,-0.2 0.561 84.8 124.7 106.5 8.0 20.1 12.5 15.4 35 35 A A < - 0 0 1 -5,-3.0 -1,-0.3 -26,-0.2 -23,-0.2 -0.621 58.8-127.2 -98.0 161.2 19.5 11.9 19.1 36 36 A V E -b 12 0A 31 -25,-2.8 -23,-2.1 -2,-0.2 2,-0.3 -0.825 31.1-158.5-108.1 92.6 16.4 12.9 21.0 37 37 A P E -b 13 0A 0 0, 0.0 28,-3.2 0, 0.0 29,-0.6 -0.528 9.3-167.2 -80.0 134.4 17.6 14.8 24.1 38 38 A Y E -bd 14 66A 26 -25,-3.0 -23,-2.8 -2,-0.3 2,-0.4 -0.947 13.8-142.0-115.4 136.0 15.6 15.2 27.3 39 39 A A E -bd 15 67A 1 27,-2.6 29,-2.1 -2,-0.4 2,-0.4 -0.824 17.5-179.3-105.8 139.3 16.6 17.7 29.9 40 40 A Y E -bd 16 68A 1 -25,-2.0 -23,-1.9 -2,-0.4 2,-0.5 -0.989 6.9-168.8-134.9 122.8 16.4 17.2 33.7 41 41 A T E - d 0 69A 4 27,-2.8 29,-3.3 -2,-0.4 2,-0.5 -0.956 14.9-138.9-117.0 128.9 17.5 20.0 36.0 42 42 A A E - d 0 70A 12 -2,-0.5 2,-1.0 27,-0.2 29,-0.2 -0.743 7.0-142.3 -90.6 127.7 17.9 19.4 39.8 43 43 A N E + d 0 71A 20 27,-3.4 29,-2.3 -2,-0.5 30,-0.3 -0.801 34.3 161.2 -86.0 107.0 16.7 22.1 42.1 44 44 A L - 0 0 13 -2,-1.0 152,-2.5 28,-0.1 153,-0.2 0.217 58.7-109.4-112.1 11.7 19.4 21.9 44.7 45 45 A G - 0 0 19 150,-0.2 150,-0.1 1,-0.2 -2,-0.1 0.883 45.8-162.3 62.4 38.3 18.8 25.3 46.3 46 46 A Q > - 0 0 45 148,-0.2 3,-1.8 1,-0.2 -1,-0.2 -0.308 19.1-138.5 -57.3 130.9 22.1 26.5 44.8 47 47 A P T 3 S+ 0 0 53 0, 0.0 -1,-0.2 0, 0.0 149,-0.0 0.747 104.6 48.0 -62.2 -23.5 23.3 29.7 46.6 48 48 A D T 3 S+ 0 0 85 2,-0.0 2,-0.5 172,-0.0 -2,-0.1 0.202 94.2 89.4-104.0 15.5 24.4 31.1 43.2 49 49 A E < + 0 0 62 -3,-1.8 3,-0.1 1,-0.1 0, 0.0 -0.960 39.0 165.8-114.6 127.6 21.1 30.2 41.4 50 50 A E S S+ 0 0 105 -2,-0.5 -1,-0.1 1,-0.2 2,-0.1 0.468 72.0 36.9-117.0 -5.6 18.3 32.8 41.4 51 51 A D >> + 0 0 81 1,-0.1 3,-0.8 2,-0.0 4,-0.5 -0.503 52.7 162.7-151.1 76.8 16.0 31.5 38.6 52 52 A Y T >4 S+ 0 0 24 1,-0.2 3,-1.2 2,-0.2 -1,-0.1 0.842 76.0 63.7 -62.4 -38.3 15.6 27.7 38.3 53 53 A D T 3> S+ 0 0 99 1,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.781 94.9 61.9 -60.2 -26.7 12.4 28.0 36.3 54 54 A A H <> S+ 0 0 32 -3,-0.8 4,-1.6 1,-0.2 -1,-0.3 0.800 92.4 67.1 -69.7 -28.0 14.4 29.6 33.5 55 55 A I H S+ 0 0 15 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.888 111.1 55.9 -60.3 -32.1 14.2 24.1 31.6 57 57 A R H X S+ 0 0 152 -4,-0.8 4,-2.3 1,-0.2 -2,-0.2 0.887 104.9 50.5 -66.8 -35.8 13.0 26.8 29.2 58 58 A R H X S+ 0 0 28 -4,-1.6 4,-1.9 -3,-0.2 -1,-0.2 0.883 107.8 53.7 -68.7 -36.1 16.5 27.3 27.9 59 59 A A H <>S+ 0 0 0 -4,-2.0 5,-2.3 1,-0.2 -2,-0.2 0.949 110.6 46.9 -61.7 -45.6 16.7 23.5 27.3 60 60 A M H ><5S+ 0 0 88 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.889 109.0 54.0 -62.3 -39.1 13.5 23.7 25.3 61 61 A E H 3<5S+ 0 0 120 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.851 108.1 52.6 -62.7 -32.6 14.8 26.7 23.4 62 62 A Y T 3<5S- 0 0 23 -4,-1.9 -1,-0.3 -3,-0.2 -2,-0.2 0.294 131.6 -86.2 -88.0 8.6 17.8 24.6 22.5 63 63 A G T < 5 + 0 0 23 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.465 66.3 161.8 107.1 -0.6 15.9 21.7 21.1 64 64 A A < - 0 0 6 -5,-2.3 -1,-0.2 -6,-0.2 -26,-0.2 -0.266 40.2-139.2 -57.0 137.3 15.1 19.5 24.1 65 65 A E S S- 0 0 94 -28,-3.2 2,-0.3 1,-0.3 -27,-0.2 0.894 88.0 -13.6 -61.9 -40.6 12.3 17.0 23.4 66 66 A N E -d 38 0A 70 -29,-0.6 -27,-2.6 2,-0.0 2,-0.4 -0.964 67.6-150.2-155.9 159.9 11.1 17.9 26.9 67 67 A A E -d 39 0A 16 -2,-0.3 2,-0.3 -29,-0.2 -27,-0.2 -0.998 12.8-175.4-141.5 134.2 12.6 19.6 29.9 68 68 A R E -d 40 0A 66 -29,-2.1 -27,-2.8 -2,-0.4 2,-0.6 -0.962 20.7-145.8-133.8 149.6 11.9 19.1 33.6 69 69 A L E -d 41 0A 51 -2,-0.3 2,-0.6 -29,-0.2 -27,-0.2 -0.965 19.5-160.8-110.6 114.1 12.9 20.7 36.9 70 70 A I E -d 42 0A 19 -29,-3.3 -27,-3.4 -2,-0.6 2,-0.6 -0.882 13.0-138.8-100.5 119.3 13.2 18.1 39.6 71 71 A D E +d 43 0A 74 -2,-0.6 4,-0.1 -29,-0.2 -27,-0.1 -0.676 32.9 163.0 -79.9 119.0 13.0 19.6 43.1 72 72 A C > + 0 0 0 -29,-2.3 4,-2.4 -2,-0.6 5,-0.2 0.230 40.7 105.5-119.1 10.9 15.6 17.8 45.3 73 73 A R H > S+ 0 0 85 -30,-0.3 4,-2.6 1,-0.2 5,-0.3 0.916 78.0 50.4 -61.0 -47.3 15.9 20.2 48.2 74 74 A K H > S+ 0 0 152 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.923 115.4 43.0 -57.6 -47.0 13.9 18.2 50.8 75 75 A Q H > S+ 0 0 70 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.891 111.9 54.2 -68.2 -40.2 16.0 15.1 50.1 76 76 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.952 111.6 44.1 -58.8 -50.1 19.3 16.9 50.0 77 77 A V H X S+ 0 0 1 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.890 110.9 54.6 -64.6 -37.3 18.7 18.5 53.4 78 78 A A H X S+ 0 0 46 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.919 112.4 43.3 -62.5 -42.1 17.5 15.2 54.9 79 79 A E H X S+ 0 0 30 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.881 112.1 53.8 -71.2 -35.0 20.7 13.5 53.8 80 80 A G H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.909 109.0 48.8 -63.6 -41.7 22.8 16.5 55.0 81 81 A I H X S+ 0 0 7 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.897 109.9 51.7 -65.4 -37.5 21.1 16.2 58.4 82 82 A A H X S+ 0 0 1 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.924 108.2 51.9 -64.0 -41.2 21.9 12.5 58.4 83 83 A A H X>S+ 0 0 0 -4,-2.5 5,-1.9 1,-0.2 4,-0.9 0.916 110.1 49.3 -59.7 -43.3 25.5 13.3 57.6 84 84 A I H ><5S+ 0 0 4 -4,-2.3 3,-0.9 1,-0.2 -2,-0.2 0.932 108.1 52.6 -62.2 -45.1 25.6 15.7 60.5 85 85 A Q H 3<5S+ 0 0 19 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.839 117.5 39.2 -61.3 -29.0 24.1 13.1 62.9 86 86 A C H 3<5S- 0 0 0 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.453 99.9-128.3 -99.4 -3.3 26.8 10.7 61.8 87 87 A G T <<5 + 0 0 9 -4,-0.9 2,-2.6 -3,-0.9 240,-0.2 0.887 41.4 176.0 55.0 36.8 29.8 13.0 61.6 88 88 A A < + 0 0 0 -5,-1.9 2,-0.4 -6,-0.2 -1,-0.2 -0.301 32.8 116.1 -74.0 58.3 30.2 11.4 58.1 89 89 A F + 0 0 13 -2,-2.6 238,-0.1 -3,-0.2 10,-0.1 -0.983 30.7 167.8-133.3 119.2 33.2 13.7 57.2 90 90 A H + 0 0 19 -2,-0.4 2,-0.9 237,-0.2 -1,-0.1 0.678 53.3 84.2-107.2 -22.7 36.6 12.1 56.5 91 91 A N + 0 0 22 7,-0.4 7,-2.3 236,-0.1 2,-0.3 -0.767 56.7 153.5 -89.1 105.7 38.7 14.8 54.9 92 92 A T E -F 97 0B 77 -2,-0.9 2,-0.4 5,-0.2 5,-0.2 -0.963 28.0-165.4-131.6 147.5 40.1 16.9 57.7 93 93 A T E > S-F 96 0B 78 3,-2.2 3,-2.0 -2,-0.3 183,-0.1 -0.958 82.9 -20.1-135.2 114.9 43.3 19.0 58.0 94 94 A G T 3 S- 0 0 88 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.885 129.6 -53.0 55.6 36.2 44.4 20.1 61.4 95 95 A G T 3 S+ 0 0 59 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.016 108.1 128.1 89.3 -31.0 40.8 19.4 62.5 96 96 A L E < -F 93 0B 70 -3,-2.0 -3,-2.2 180,-0.1 2,-0.3 -0.479 50.3-143.7 -67.4 126.3 39.2 21.6 59.8 97 97 A T E -F 92 0B 21 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.2 -0.642 19.5-144.6-102.9 144.9 36.6 19.5 58.0 98 98 A Y - 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