Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3aur_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 8.A N GLN 11.A OE1 no hydrogen 3.191 N/A GLN 11.A N SER 8.A OG no hydrogen 3.144 N/A GLN 12.A N SER 8.A O no hydrogen 2.893 N/A ARG 13.A N GLU 9.A O no hydrogen 2.987 N/A ILE 14.A N GLU 10.A O no hydrogen 2.842 N/A ILE 15.A N GLN 11.A O no hydrogen 3.113 N/A ALA 16.A N GLN 12.A O no hydrogen 3.055 N/A ILE 17.A N ARG 13.A O no hydrogen 2.902 N/A LEU 18.A N ILE 14.A O no hydrogen 3.029 N/A LEU 19.A N ILE 15.A O no hydrogen 2.937 N/A ASP 20.A N ALA 16.A O no hydrogen 2.911 N/A ALA 21.A N ILE 17.A O no hydrogen 2.692 N/A HIS 22.A N LEU 18.A O no hydrogen 2.906 N/A HIS 22.A NE2 GLU 107.A OE2 no hydrogen 2.770 N/A HIS 23.A N LEU 19.A O no hydrogen 3.055 N/A HIS 23.A NE2 GLU 157.A OE1 no hydrogen 2.870 N/A LYS 24.A N ASP 20.A O no hydrogen 3.118 N/A LYS 24.A NZ ASP 20.A OD1 no hydrogen 3.083 N/A THR 25.A N HIS 22.A O no hydrogen 3.008 N/A THR 25.A OG1 ALA 21.A O no hydrogen 2.924 N/A THR 25.A OG1 HIS 22.A O no hydrogen 3.353 N/A TYR 26.A OH TYR 30.A OH no hydrogen 2.643 N/A THR 29.A N ASP 27.A OD1 no hydrogen 2.942 N/A THR 29.A OG1 ASP 27.A OD1 no hydrogen 2.575 N/A THR 29.A OG1 ASP 27.A OD2 no hydrogen 3.382 N/A TYR 30.A N ASP 27.A O no hydrogen 3.168 N/A TYR 30.A OH TYR 26.A OH no hydrogen 2.643 N/A SER 31.A N ASP 27.A OD2 no hydrogen 3.119 N/A SER 31.A OG ASP 27.A OD2 no hydrogen 2.692 N/A PHE 33.A N TYR 30.A O no hydrogen 3.261 N/A CYS 34.A SG SER 31.A O no hydrogen 3.697 N/A GLN 35.A N ASP 32.A O no hydrogen 2.870 N/A PHE 36.A N PHE 33.A O no hydrogen 3.038 N/A ARG 37.A N ASP 62.A OD1 no hydrogen 2.814 N/A ARG 37.A NE ASP 62.A OD1 no hydrogen 2.892 N/A ARG 37.A NE ASP 62.A OD2 no hydrogen 3.375 N/A ARG 37.A NH1 MET 242.A O no hydrogen 3.030 N/A ARG 37.A NH2 ASP 62.A OD2 no hydrogen 2.658 N/A ARG 37.A NH2 LYS 243.A O no hydrogen 3.433 N/A ARG 37.A NH2 LEU 244.A O no hydrogen 3.256 N/A ARG 41.A NE ASP 129.A OD1 no hydrogen 2.908 N/A ARG 41.A NH1 ASP 122.A O no hydrogen 2.799 N/A ARG 41.A NH2 ASP 122.A O no hydrogen 2.937 N/A ARG 41.A NH2 ASP 129.A OD2 no hydrogen 3.489 N/A ASN 43.A ND2 ASN 43.A O no hydrogen 2.992 N/A LEU 49.A N SER 46.A OG no hydrogen 3.410 N/A GLU 50.A N SER 46.A O no hydrogen 2.894 N/A LEU 51.A N VAL 47.A O no hydrogen 2.792 N/A SER 52.A N THR 48.A O no hydrogen 2.852 N/A SER 52.A OG THR 48.A O no hydrogen 3.433 N/A SER 52.A OG LEU 49.A O no hydrogen 2.722 N/A GLN 53.A N LEU 49.A O no hydrogen 3.002 N/A LEU 54.A N GLU 50.A O no hydrogen 2.849 N/A SER 55.A OG VAL 40.A O no hydrogen 2.856 N/A MET 56.A N LYS 132.A O no hydrogen 3.398 N/A LEU 57.A N LEU 54.A O no hydrogen 2.994 N/A HIS 59.A ND1 ARG 37.A O no hydrogen 2.829 N/A HIS 59.A NE2 TYR 125.A OH no hydrogen 2.795 N/A LEU 60.A N MET 56.A O no hydrogen 3.009 N/A ALA 61.A N LEU 57.A O no hydrogen 2.736 N/A ASP 62.A N PRO 58.A O no hydrogen 3.003 N/A LEU 63.A N HIS 59.A O no hydrogen 2.967 N/A VAL 64.A N LEU 60.A O no hydrogen 2.832 N/A SER 65.A N ALA 61.A O no hydrogen 2.791 N/A SER 65.A OG THR 245.A OG1 no hydrogen 2.764 N/A TYR 66.A N ASP 62.A O no hydrogen 2.874 N/A TYR 66.A OH ASP 32.A OD2 no hydrogen 2.814 N/A SER 67.A N LEU 63.A O no hydrogen 2.978 N/A SER 67.A OG LEU 63.A O no hydrogen 2.823 N/A ILE 68.A N VAL 64.A O no hydrogen 2.736 N/A GLN 69.A N SER 65.A O no hydrogen 3.106 N/A LYS 70.A N TYR 66.A O no hydrogen 3.118 N/A VAL 71.A N SER 67.A O no hydrogen 3.001 N/A ILE 72.A N ILE 68.A O no hydrogen 2.940 N/A GLY 73.A N GLN 69.A O no hydrogen 3.077 N/A PHE 74.A N LYS 70.A O no hydrogen 2.647 N/A ALA 75.A N VAL 71.A O no hydrogen 2.730 N/A LYS 76.A N ILE 72.A O no hydrogen 3.068 N/A MET 77.A N PHE 74.A O no hydrogen 3.010 N/A ILE 78.A N ALA 75.A O no hydrogen 3.122 N/A PHE 81.A N ILE 78.A O no hydrogen 2.990 N/A ASP 83.A N GLY 80.A O no hydrogen 2.820 N/A LEU 84.A N PHE 81.A O no hydrogen 3.203 N/A ASP 88.A N THR 85.A O no hydrogen 3.037 N/A ASP 88.A N THR 85.A OG1 no hydrogen 3.254 N/A GLN 89.A N THR 85.A O no hydrogen 2.966 N/A GLN 89.A NE2 LEU 84.A O no hydrogen 2.997 N/A ILE 90.A N SER 86.A O no hydrogen 2.955 N/A VAL 91.A N GLU 87.A O no hydrogen 3.118 N/A LEU 92.A N ASP 88.A O no hydrogen 2.969 N/A LEU 93.A N GLN 89.A O no hydrogen 3.023 N/A LYS 94.A N ILE 90.A O no hydrogen 2.971 N/A LYS 94.A NZ GLU 250.A OE1 no hydrogen 2.567 N/A SER 95.A N VAL 91.A O no hydrogen 3.037 N/A SER 95.A OG VAL 91.A O no hydrogen 2.979 N/A SER 95.A OG LEU 92.A O no hydrogen 3.491 N/A SER 96.A N LEU 92.A O no hydrogen 2.932 N/A SER 96.A OG LEU 92.A O no hydrogen 2.743 N/A SER 96.A OG LEU 93.A O no hydrogen 3.519 N/A ALA 97.A N LEU 93.A O no hydrogen 2.841 N/A VAL 100.A N SER 96.A O no hydrogen 2.823 N/A ILE 101.A N ALA 97.A O no hydrogen 2.881 N/A MET 102.A N ILE 98.A O no hydrogen 2.989 N/A LEU 103.A N GLU 99.A O no hydrogen 2.887 N/A ARG 104.A N VAL 100.A O no hydrogen 2.807 N/A ARG 104.A NH2 THR 25.A O no hydrogen 3.002 N/A SER 105.A N ILE 101.A O no hydrogen 2.806 N/A SER 105.A OG MET 102.A O no hydrogen 2.785 N/A ASN 106.A N LEU 103.A O no hydrogen 2.972 N/A ASN 106.A ND2 GLN 147.A O no hydrogen 2.926 N/A ASN 106.A ND2 GLN 147.A OE1 no hydrogen 2.879 N/A GLU 107.A N ARG 104.A O no hydrogen 3.225 N/A SER 108.A N SER 105.A O no hydrogen 2.952 N/A SER 108.A OG SER 105.A O no hydrogen 3.053 N/A PHE 109.A N SER 105.A O no hydrogen 3.212 N/A PHE 109.A N ASN 106.A O no hydrogen 3.286 N/A THR 110.A N SER 115.A O no hydrogen 2.889 N/A ASP 112.A N THR 110.A OG1 no hydrogen 3.080 N/A SER 115.A N THR 110.A O no hydrogen 3.333 N/A SER 115.A OG ASP 113.A OD1 no hydrogen 2.514 N/A SER 115.A OG ASP 113.A OD2 no hydrogen 3.335 N/A SER 115.A OG THR 117.A OG1 no hydrogen 2.866 N/A TRP 116.A N TYR 125.A O no hydrogen 3.075 N/A TRP 116.A NE1 SER 105.A OG no hydrogen 2.880 N/A THR 117.A N SER 108.A O no hydrogen 2.802 N/A THR 117.A OG1 SER 115.A OG no hydrogen 2.866 N/A CYS 118.A N TYR 123.A O no hydrogen 2.804 N/A GLN 121.A N GLN 121.A OE1 no hydrogen 2.294 N/A TYR 123.A N ASN 120.A O no hydrogen 2.509 N/A LYS 124.A N GLN 121.A O no hydrogen 3.252 N/A LYS 124.A NZ ASP 113.A OD2 no hydrogen 2.737 N/A LYS 124.A NZ THR 117.A OG1 no hydrogen 2.928 N/A TYR 125.A N TRP 116.A O no hydrogen 2.854 N/A TYR 125.A OH HIS 59.A NE2 no hydrogen 2.795 N/A ARG 126.A N ASP 129.A OD2 no hydrogen 2.866 N/A ARG 126.A NH1 ASP 129.A OD1 no hydrogen 3.434 N/A ASP 129.A N ARG 126.A O no hydrogen 2.861 N/A VAL 130.A N ARG 126.A O no hydrogen 3.321 N/A VAL 130.A N VAL 127.A O no hydrogen 2.920 N/A THR 131.A N VAL 127.A O no hydrogen 3.087 N/A THR 131.A OG1 SER 128.A O no hydrogen 2.912 N/A LYS 132.A N SER 128.A O no hydrogen 3.102 N/A LYS 132.A NZ ASP 44.A OD1 no hydrogen 2.812 N/A LYS 132.A NZ SER 128.A O no hydrogen 3.541 N/A ALA 133.A N VAL 130.A O no hydrogen 3.051 N/A GLY 134.A N THR 131.A O no hydrogen 2.955 N/A HIS 135.A N VAL 130.A O no hydrogen 3.437 N/A HIS 135.A ND1 GLN 230.A OE1 no hydrogen 3.124 N/A SER 136.A N GLN 230.A OE1 no hydrogen 2.968 N/A SER 136.A OG GLU 138.A OE2 no hydrogen 2.993 N/A GLU 138.A N GLU 138.A OE2 no hydrogen 3.089 N/A LEU 139.A N SER 136.A O no hydrogen 2.977 N/A ILE 140.A N SER 136.A O no hydrogen 3.143 N/A GLU 141.A N LEU 137.A O no hydrogen 3.061 N/A LEU 143.A N LEU 139.A O no hydrogen 2.961 N/A ILE 144.A N ILE 140.A O no hydrogen 2.893 N/A LYS 145.A N GLU 141.A O no hydrogen 3.105 N/A LYS 145.A NZ GLU 141.A O no hydrogen 2.646 N/A PHE 146.A N PRO 142.A O no hydrogen 2.882 N/A GLN 147.A N LEU 143.A O no hydrogen 2.965 N/A GLN 147.A NE2 MET 102.A O no hydrogen 2.902 N/A VAL 148.A N ILE 144.A O no hydrogen 2.991 N/A GLY 149.A N LYS 145.A O no hydrogen 2.880 N/A LEU 150.A N PHE 146.A O no hydrogen 2.820 N/A LYS 151.A N GLN 147.A O no hydrogen 2.846 N/A LYS 151.A NZ ASN 106.A O no hydrogen 2.824 N/A LYS 151.A NZ PHE 109.A O no hydrogen 2.876 N/A LYS 152.A N VAL 148.A O no hydrogen 2.934 N/A LEU 153.A N LEU 150.A O no hydrogen 3.155 N/A ASN 154.A N LYS 151.A O no hydrogen 3.043 N/A HIS 156.A N GLU 159.A OE2 no hydrogen 2.806 N/A HIS 156.A ND1 TYR 196.A OH no hydrogen 2.494 N/A GLU 158.A N GLU 158.A OE2 no hydrogen 2.846 N/A HIS 160.A N HIS 156.A O no hydrogen 2.935 N/A VAL 161.A N GLU 157.A O no hydrogen 2.889 N/A LEU 162.A N GLU 158.A O no hydrogen 3.063 N/A LEU 163.A N GLU 159.A O no hydrogen 2.895 N/A MET 164.A N HIS 160.A O no hydrogen 3.057 N/A ALA 165.A N VAL 161.A O no hydrogen 3.039 N/A ILE 166.A N LEU 162.A O no hydrogen 2.886 N/A CYS 167.A N LEU 163.A O no hydrogen 3.105 N/A CYS 167.A SG GLU 99.A OE1 no hydrogen 3.515 N/A ILE 168.A N MET 164.A O no hydrogen 3.130 N/A VAL 169.A N ALA 165.A O no hydrogen 2.986 N/A SER 170.A N ILE 168.A O no hydrogen 3.117 N/A SER 170.A OG ILE 166.A O no hydrogen 3.422 N/A SER 170.A OG CYS 167.A O no hydrogen 2.718 N/A ARG 173.A NH1 GLU 99.A OE1 no hydrogen 2.959 N/A ARG 173.A NH1 GLU 99.A OE2 no hydrogen 2.510 N/A ARG 173.A NH2 GLU 99.A OE1 no hydrogen 2.666 N/A ARG 173.A NH2 CYS 167.A O no hydrogen 2.868 N/A VAL 176.A N ARG 173.A O no hydrogen 3.444 N/A GLN 177.A N ASP 88.A OD2 no hydrogen 2.814 N/A ASP 178.A N ASP 88.A OD1 no hydrogen 3.014 N/A ALA 179.A N GLN 177.A O no hydrogen 3.057 N/A LEU 181.A N ASP 178.A OD2 no hydrogen 3.238 N/A ILE 182.A N ASP 178.A O no hydrogen 3.097 N/A GLU 183.A N ALA 179.A O no hydrogen 2.818 N/A ALA 184.A N ALA 180.A O no hydrogen 2.839 N/A ILE 185.A N LEU 181.A O no hydrogen 2.912 N/A GLN 186.A N ILE 182.A O no hydrogen 2.798 N/A GLN 186.A NE2 ILE 166.A O no hydrogen 2.944 N/A ASP 187.A N GLU 183.A O no hydrogen 2.799 N/A ARG 188.A N ALA 184.A O no hydrogen 3.187 N/A LEU 189.A N ILE 185.A O no hydrogen 3.247 N/A SER 190.A N GLN 186.A O no hydrogen 2.715 N/A SER 190.A OG GLN 186.A O no hydrogen 2.741 N/A ASN 191.A N ASP 187.A O no hydrogen 2.948 N/A THR 192.A N ARG 188.A O no hydrogen 3.147 N/A THR 192.A OG1 ARG 188.A O no hydrogen 2.648 N/A LEU 193.A N LEU 189.A O no hydrogen 2.943 N/A GLN 194.A N SER 190.A O no hydrogen 2.763 N/A THR 195.A N ASN 191.A O no hydrogen 2.959 N/A THR 195.A OG1 ASN 191.A O no hydrogen 2.672 N/A TYR 196.A N THR 192.A O no hydrogen 2.796 N/A TYR 196.A OH HIS 156.A ND1 no hydrogen 2.494 N/A ILE 197.A N LEU 193.A O no hydrogen 2.939 N/A ARG 198.A N GLN 194.A O no hydrogen 3.264 N/A CYS 199.A N THR 195.A O no hydrogen 3.000 N/A CYS 199.A SG PRO 5.A O no hydrogen 3.282 N/A CYS 199.A SG THR 195.A O no hydrogen 3.533 N/A ARG 200.A N TYR 196.A O no hydrogen 2.750 N/A HIS 201.A N ILE 197.A O no hydrogen 3.058 N/A HIS 201.A ND1 GLU 159.A OE1 no hydrogen 2.620 N/A HIS 207.A ND1 GLY 205.A O no hydrogen 2.784 N/A LEU 209.A N SER 206.A O no hydrogen 2.545 N/A TYR 210.A N HIS 207.A O no hydrogen 2.867 N/A LYS 212.A N LEU 208.A O no hydrogen 3.339 N/A MET 213.A N LEU 209.A O no hydrogen 3.006 N/A ILE 214.A N TYR 210.A O no hydrogen 3.049 N/A GLN 215.A N ALA 211.A O no hydrogen 2.922 N/A LYS 216.A N LYS 212.A O no hydrogen 3.127 N/A LEU 217.A N MET 213.A O no hydrogen 3.211 N/A ALA 218.A N ILE 214.A O no hydrogen 3.175 N/A ASP 219.A N GLN 215.A O no hydrogen 2.735 N/A LEU 220.A N LYS 216.A O no hydrogen 2.831 N/A ARG 221.A N LEU 217.A O no hydrogen 3.159 N/A ARG 221.A NH2 ASP 172.A OD2 no hydrogen 2.904 N/A SER 222.A N ALA 218.A O no hydrogen 3.376 N/A LEU 223.A N ASP 219.A O no hydrogen 3.097 N/A ASN 224.A N LEU 220.A O no hydrogen 2.818 N/A ASN 224.A ND2 SER 95.A O no hydrogen 3.075 N/A ASN 224.A ND2 GLU 99.A OE2 no hydrogen 2.609 N/A GLU 225.A N ARG 221.A O no hydrogen 3.069 N/A GLU 226.A N SER 222.A O no hydrogen 3.045 N/A HIS 227.A N LEU 223.A O no hydrogen 2.835 N/A SER 228.A N ASN 224.A O no hydrogen 3.083 N/A LYS 229.A N GLU 225.A O no hydrogen 3.189 N/A GLN 230.A N GLU 226.A O no hydrogen 3.084 N/A GLN 230.A NE2 SER 136.A O no hydrogen 3.673 N/A GLN 230.A NE2 GLU 226.A OE1 no hydrogen 2.644 N/A TYR 231.A N HIS 227.A O no hydrogen 2.708 N/A ARG 232.A N SER 228.A O no hydrogen 3.030 N/A CYS 233.A N LYS 229.A O no hydrogen 3.453 N/A CYS 233.A SG LYS 229.A O no hydrogen 3.397 N/A LEU 234.A N GLN 230.A O no hydrogen 2.889 N/A SER 235.A N TYR 231.A O no hydrogen 2.784 N/A SER 235.A OG ARG 232.A O no hydrogen 2.599 N/A PHE 236.A N CYS 233.A O no hydrogen 3.101 N/A GLN 237.A N LEU 234.A O no hydrogen 3.065 N/A CYS 240.A N GLN 237.A O no hydrogen 2.987 N/A CYS 240.A SG LEU 234.A O no hydrogen 3.384 N/A LYS 243.A N CYS 240.A O no hydrogen 2.796 N/A LEU 244.A N SER 241.A O no hydrogen 3.044 N/A THR 245.A OG1 SER 65.A OG no hydrogen 2.764 N/A VAL 248.A N THR 245.A OG1 no hydrogen 3.032 N/A LEU 249.A N THR 245.A O no hydrogen 2.960 N/A GLU 250.A N PRO 246.A O no hydrogen 3.009 N/A VAL 251.A N LEU 247.A O no hydrogen 2.946 N/A PHE 252.A N VAL 248.A O no hydrogen 2.946 N/A GLY 253.A N LEU 249.A O no hydrogen 2.742 N/A