Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1b0u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 1.A ND2 ALA 25.A O no hydrogen 3.366 N/A LYS 2.A N ALA 25.A O no hydrogen 2.926 N/A LEU 3.A N ALA 25.A O no hydrogen 3.101 N/A HIS 4.A N ILE 60.A O no hydrogen 2.842 N/A VAL 5.A N LEU 23.A O no hydrogen 2.785 N/A ILE 6.A N ALA 58.A O no hydrogen 2.860 N/A ASP 7.A N SER 22.A OG no hydrogen 3.046 N/A LEU 8.A N VAL 21.A O no hydrogen 2.870 N/A HIS 9.A N GLU 56.A O no hydrogen 3.016 N/A HIS 9.A ND1 ASP 7.A O no hydrogen 3.299 N/A LYS 10.A N LEU 18.A O no hydrogen 3.030 N/A LYS 10.A NZ ARG 11.A O no hydrogen 2.857 N/A LYS 10.A NZ LYS 53.A O no hydrogen 2.922 N/A ARG 11.A NH1 GLY 13.A O no hydrogen 2.922 N/A ARG 11.A NH2 ASP 73.A O no hydrogen 3.017 N/A TYR 12.A N HIS 15.A O no hydrogen 2.884 N/A TYR 12.A OH THR 43.A OG1 no hydrogen 2.750 N/A HIS 15.A N TYR 12.A O no hydrogen 2.975 N/A VAL 17.A N LYS 10.A O no hydrogen 2.818 N/A LEU 18.A N LYS 10.A O no hydrogen 3.177 N/A LYS 19.A N GLY 225.A O no hydrogen 2.868 N/A LYS 19.A NZ GLU 16.A O no hydrogen 2.940 N/A LYS 19.A NZ VAL 17.A O no hydrogen 3.354 N/A GLY 20.A N LEU 8.A O no hydrogen 2.935 N/A VAL 21.A N LEU 8.A O no hydrogen 2.993 N/A LEU 23.A N VAL 5.A O no hydrogen 2.894 N/A ALA 25.A N LEU 3.A O no hydrogen 2.907 N/A ARG 26.A N ASP 29.A OD2 no hydrogen 2.740 N/A GLY 28.A N THR 201.A OG1 no hydrogen 2.853 N/A ASP 29.A N ARG 26.A O no hydrogen 2.931 N/A VAL 30.A N SER 217.A OG no hydrogen 2.927 N/A ILE 31.A N MET 202.A O no hydrogen 2.902 N/A SER 32.A N HIS 218.A O no hydrogen 3.025 N/A SER 32.A OG SER 216.A OG no hydrogen 2.656 N/A ILE 33.A N VAL 204.A O no hydrogen 2.789 N/A ILE 34.A N ILE 220.A O no hydrogen 2.858 N/A SER 39.A N SER 36.A O no hydrogen 3.002 N/A SER 39.A OG SER 36.A O no hydrogen 2.773 N/A LYS 41.A NZ GLY 35.A O no hydrogen 2.727 N/A SER 42.A OG ASP 174.A OD1 no hydrogen 3.489 N/A SER 42.A OG ASP 174.A OD2 no hydrogen 2.533 N/A THR 43.A OG1 TYR 12.A OH no hydrogen 2.750 N/A PHE 44.A N GLY 40.A O no hydrogen 2.919 N/A LEU 45.A N LYS 41.A O no hydrogen 3.074 N/A ARG 46.A N SER 42.A O no hydrogen 2.888 N/A ARG 46.A NH2 GLU 52.A OE2 no hydrogen 2.827 N/A CYS 47.A N THR 43.A O no hydrogen 2.984 N/A CYS 47.A N PHE 44.A O no hydrogen 3.258 N/A CYS 47.A SG THR 43.A O no hydrogen 3.314 N/A ILE 48.A N PHE 44.A O no hydrogen 3.309 N/A ILE 48.A N LEU 45.A O no hydrogen 3.085 N/A ASN 49.A ND2 ARG 46.A O no hydrogen 3.150 N/A PHE 50.A N CYS 47.A O no hydrogen 2.971 N/A GLU 52.A N ARG 46.A O no hydrogen 2.973 N/A LYS 53.A NZ PHE 50.A O no hydrogen 3.371 N/A SER 55.A N HIS 9.A O no hydrogen 2.768 N/A GLU 56.A N HIS 9.A O no hydrogen 3.428 N/A ALA 58.A N ILE 6.A O no hydrogen 3.029 N/A ILE 60.A N HIS 4.A O no hydrogen 2.868 N/A VAL 61.A N GLN 64.A O no hydrogen 2.941 N/A ASN 62.A N LYS 2.A O no hydrogen 2.865 N/A ASN 62.A ND2 ASP 169.A OD2 no hydrogen 2.719 N/A GLN 64.A N VAL 61.A O no hydrogen 2.890 N/A ILE 66.A N ILE 59.A O no hydrogen 2.922 N/A VAL 69.A N LYS 77.A O no hydrogen 3.018 N/A ARG 70.A NH1 SER 55.A O no hydrogen 2.746 N/A ARG 70.A NH1 GLY 74.A O no hydrogen 2.789 N/A ARG 70.A NH2 SER 55.A O no hydrogen 2.972 N/A ARG 70.A NH2 GLU 56.A OE1 no hydrogen 3.162 N/A ASP 71.A N GLN 75.A O no hydrogen 2.651 N/A GLY 74.A N ASP 71.A O no hydrogen 2.859 N/A GLN 75.A N ASP 71.A OD1 no hydrogen 3.035 N/A LEU 76.A N PRO 54.A O no hydrogen 2.845 N/A LYS 77.A N VAL 69.A O no hydrogen 2.897 N/A ALA 79.A N ASN 67.A O no hydrogen 2.953 N/A ASN 82.A N ASP 80.A OD1 no hydrogen 2.941 N/A GLN 83.A N ASP 80.A O no hydrogen 2.974 N/A GLN 83.A NE2 ASN 67.A OD1 no hydrogen 3.304 N/A LEU 84.A N ASP 80.A O no hydrogen 3.176 N/A ARG 85.A N LYS 81.A O no hydrogen 2.889 N/A LEU 86.A N ASN 82.A O no hydrogen 2.744 N/A LEU 87.A N GLN 83.A O no hydrogen 2.988 N/A ARG 88.A N LEU 84.A O no hydrogen 3.080 N/A ARG 88.A NE ASN 49.A O no hydrogen 2.661 N/A ARG 88.A NH2 ASN 49.A O no hydrogen 3.158 N/A THR 89.A N LEU 86.A O no hydrogen 3.027 N/A THR 89.A OG1 LEU 86.A O no hydrogen 2.294 N/A ARG 90.A N LEU 86.A O no hydrogen 3.082 N/A ARG 90.A N LEU 87.A O no hydrogen 2.884 N/A ARG 90.A NH1 ASP 169.A OD2 no hydrogen 2.877 N/A LEU 91.A N LEU 87.A O no hydrogen 2.997 N/A THR 92.A N VAL 170.A O no hydrogen 3.160 N/A VAL 94.A N LEU 172.A O no hydrogen 2.818 N/A GLN 96.A N GLN 96.A OE1 no hydrogen 2.759 N/A GLN 96.A NE2 SER 42.A OG no hydrogen 3.379 N/A TRP 101.A N ASN 109.A OD1 no hydrogen 2.798 N/A MET 104.A N TRP 101.A O no hydrogen 3.270 N/A THR 105.A N GLU 108.A OE1 no hydrogen 2.915 N/A VAL 106.A N LYS 145.A O no hydrogen 2.854 N/A LEU 107.A N GLN 143.A O no hydrogen 3.091 N/A GLU 108.A N THR 105.A OG1 no hydrogen 3.038 N/A ASN 109.A N THR 105.A O no hydrogen 2.832 N/A ASN 109.A ND2 TRP 101.A O no hydrogen 3.124 N/A ASN 109.A ND2 THR 105.A O no hydrogen 3.105 N/A VAL 110.A N VAL 106.A O no hydrogen 3.164 N/A MET 111.A N LEU 107.A O no hydrogen 3.045 N/A ILE 115.A N MET 111.A O no hydrogen 3.179 N/A GLN 116.A N GLU 112.A O no hydrogen 2.801 N/A VAL 117.A N ALA 113.A O no hydrogen 2.713 N/A LEU 118.A N ALA 113.A O no hydrogen 3.157 N/A GLY 119.A N ILE 115.A O no hydrogen 2.875 N/A LEU 120.A N PRO 114.A O no hydrogen 3.093 N/A HIS 123.A ND1 ASP 124.A OD1 no hydrogen 3.365 N/A ASP 124.A N SER 121.A OG no hydrogen 3.029 N/A ALA 125.A N SER 121.A O no hydrogen 2.999 N/A ARG 126.A N LYS 122.A O no hydrogen 2.813 N/A GLU 127.A N HIS 123.A O no hydrogen 2.953 N/A ARG 128.A N ASP 124.A O no hydrogen 3.093 N/A ARG 128.A NH1 ALA 165.A O no hydrogen 2.923 N/A ALA 129.A N ALA 125.A O no hydrogen 2.896 N/A LEU 130.A N ARG 126.A O no hydrogen 2.836 N/A LYS 131.A N GLU 127.A O no hydrogen 3.117 N/A LYS 131.A NZ TYR 132.A OH no hydrogen 3.331 N/A TYR 132.A N ARG 128.A O no hydrogen 2.953 N/A TYR 132.A OH GLU 167.A OE2 no hydrogen 2.650 N/A LEU 133.A N ALA 129.A O no hydrogen 2.863 N/A ALA 134.A N LEU 130.A O no hydrogen 3.043 N/A LYS 135.A N LYS 131.A O no hydrogen 3.151 N/A LYS 135.A NZ GLU 198.A OE2 no hydrogen 3.199 N/A VAL 136.A N TYR 132.A O no hydrogen 3.168 N/A GLY 137.A N ALA 134.A O no hydrogen 3.039 N/A ILE 138.A N LEU 133.A O no hydrogen 2.978 N/A ALA 142.A N ASP 139.A O no hydrogen 2.943 N/A ALA 142.A N ASP 139.A OD1 no hydrogen 3.193 N/A GLN 143.A N GLU 140.A O no hydrogen 3.001 N/A GLN 143.A NE2 ILE 138.A O no hydrogen 3.033 N/A LYS 145.A N ALA 142.A O no hydrogen 3.112 N/A LYS 145.A NZ ARG 141.A O no hydrogen 2.912 N/A TYR 146.A N HIS 149.A ND1 no hydrogen 2.969 N/A HIS 149.A N TYR 146.A O no hydrogen 2.899 N/A LEU 150.A N PRO 147.A O no hydrogen 3.024 N/A GLN 154.A N SER 151.A OG no hydrogen 2.988 N/A GLN 155.A N SER 151.A O no hydrogen 2.865 N/A GLN 155.A NE2 LEU 150.A O no hydrogen 3.220 N/A GLN 156.A N GLY 152.A O no hydrogen 2.828 N/A GLN 156.A NE2 PHE 95.A O no hydrogen 2.805 N/A GLN 156.A NE2 PRO 176.A O no hydrogen 2.886 N/A ARG 157.A N GLY 153.A O no hydrogen 2.964 N/A ARG 157.A NH1 VAL 136.A O no hydrogen 2.672 N/A ARG 157.A NH2 GLU 187.A OE1 no hydrogen 2.588 N/A VAL 158.A N GLN 154.A O no hydrogen 2.924 N/A SER 159.A N GLN 155.A O no hydrogen 2.906 N/A SER 159.A OG PHE 98.A O no hydrogen 3.319 N/A ILE 160.A N GLN 156.A O no hydrogen 2.862 N/A ALA 161.A N ARG 157.A O no hydrogen 2.985 N/A ARG 162.A N VAL 158.A O no hydrogen 2.798 N/A ARG 162.A NH1 ASN 99.A O no hydrogen 2.125 N/A ARG 162.A NH2 SER 159.A OG no hydrogen 3.139 N/A ALA 163.A N SER 159.A O no hydrogen 3.036 N/A LEU 164.A N ILE 160.A O no hydrogen 2.871 N/A ALA 165.A N ALA 161.A O no hydrogen 2.868 N/A MET 166.A N ALA 163.A O no hydrogen 3.237 N/A GLU 167.A N LEU 164.A O no hydrogen 2.816 N/A ASP 169.A N ARG 90.A O no hydrogen 2.737 N/A VAL 170.A N ARG 90.A O no hydrogen 3.056 N/A LEU 171.A N THR 201.A O no hydrogen 2.975 N/A LEU 172.A N THR 92.A O no hydrogen 2.852 N/A PHE 173.A N VAL 203.A O no hydrogen 2.792 N/A ASP 174.A N VAL 94.A O no hydrogen 2.852 N/A GLU 175.A N VAL 205.A O no hydrogen 2.802 N/A SER 178.A N GLU 175.A O no hydrogen 3.057 N/A SER 178.A OG GLU 175.A O no hydrogen 2.762 N/A LEU 180.A N THR 177.A O no hydrogen 3.209 N/A GLU 183.A N GLU 183.A OE1 no hydrogen 2.769 N/A LEU 184.A N ASP 181.A O no hydrogen 2.810 N/A VAL 185.A N PRO 182.A O no hydrogen 3.191 N/A LEU 189.A N VAL 185.A O no hydrogen 2.949 N/A ARG 190.A N GLY 186.A O no hydrogen 2.855 N/A ILE 191.A N GLU 187.A O no hydrogen 3.088 N/A MET 192.A N VAL 188.A O no hydrogen 2.996 N/A GLN 193.A N LEU 189.A O no hydrogen 2.857 N/A GLN 194.A N ARG 190.A O no hydrogen 2.869 N/A LEU 195.A N ILE 191.A O no hydrogen 3.083 N/A ALA 196.A N MET 192.A O no hydrogen 3.068 N/A GLU 197.A N GLN 193.A O no hydrogen 2.877 N/A GLU 198.A N GLN 194.A O no hydrogen 2.985 N/A GLU 198.A N LEU 195.A O no hydrogen 3.107 N/A GLY 199.A N ALA 196.A O no hydrogen 2.987 N/A LYS 200.A N LEU 195.A O no hydrogen 3.115 N/A MET 202.A N ASP 29.A O no hydrogen 2.988 N/A VAL 203.A N LEU 171.A O no hydrogen 2.938 N/A VAL 204.A N ILE 31.A O no hydrogen 2.752 N/A VAL 205.A N PHE 173.A O no hydrogen 2.848 N/A THR 206.A N ILE 33.A O no hydrogen 3.288 N/A GLU 208.A N THR 206.A OG1 no hydrogen 2.870 N/A ALA 212.A N GLU 208.A O no hydrogen 3.170 N/A ARG 213.A N MET 209.A O no hydrogen 2.848 N/A ARG 213.A NE GLU 234.A OE2 no hydrogen 2.930 N/A ARG 213.A NH2 GLU 234.A OE1 no hydrogen 3.102 N/A ARG 213.A NH2 GLU 234.A OE2 no hydrogen 3.564 N/A HIS 214.A N GLY 210.A O no hydrogen 2.875 N/A VAL 215.A N PHE 211.A O no hydrogen 2.949 N/A SER 216.A OG SER 32.A OG no hydrogen 2.656 N/A SER 216.A OG ALA 212.A O no hydrogen 2.654 N/A SER 217.A N VAL 30.A O no hydrogen 2.734 N/A SER 217.A OG VAL 30.A O no hydrogen 3.293 N/A HIS 218.A N VAL 30.A O no hydrogen 3.217 N/A VAL 219.A N GLY 231.A O no hydrogen 2.803 N/A ILE 220.A N SER 32.A O no hydrogen 2.796 N/A PHE 221.A N GLU 229.A O no hydrogen 2.796 N/A LEU 222.A N ILE 34.A O no hydrogen 2.847 N/A HIS 223.A N LYS 226.A O no hydrogen 2.810 N/A GLY 225.A N SER 39.A O no hydrogen 2.898 N/A LYS 226.A N HIS 223.A O no hydrogen 2.974 N/A GLU 228.A N PHE 221.A O no hydrogen 2.974 N/A GLY 231.A N VAL 219.A O no hydrogen 3.005 N/A GLU 234.A N ASP 232.A OD1 no hydrogen 2.839 N/A GLN 235.A N ASP 232.A O no hydrogen 2.992 N/A GLN 235.A NE2 ASN 239.A OD1 no hydrogen 3.186 N/A VAL 236.A N ASP 232.A O no hydrogen 3.032 N/A PHE 237.A N PRO 233.A O no hydrogen 2.906 N/A GLY 238.A N GLU 234.A O no hydrogen 2.826 N/A ASN 239.A N GLN 235.A O no hydrogen 2.823 N/A GLN 241.A N GLU 229.A OE2 no hydrogen 2.827 N/A GLN 241.A NE2 ASN 239.A O no hydrogen 2.912 N/A SER 242.A N GLU 229.A OE1 no hydrogen 2.735 N/A SER 242.A OG GLU 228.A OE2 no hydrogen 2.595 N/A ARG 244.A N SER 242.A OG no hydrogen 2.973 N/A ARG 244.A NH1 GLU 228.A OE1 no hydrogen 3.120 N/A LEU 245.A N SER 242.A OG no hydrogen 3.419 N/A GLN 246.A N SER 242.A O no hydrogen 2.932 N/A GLN 246.A NE2 PRO 240.A O no hydrogen 3.038 N/A GLN 247.A N PRO 243.A O no hydrogen 2.904 N/A PHE 248.A N ARG 244.A O no hydrogen 2.929 N/A LEU 249.A N LEU 245.A O no hydrogen 2.903 N/A LYS 250.A N GLN 246.A O no hydrogen 3.068 N/A GLY 251.A N GLN 247.A O no hydrogen 2.838 N/A SER 252.A N PHE 248.A O no hydrogen 2.873 N/A SER 252.A OG PHE 248.A O no hydrogen 3.137 N/A SER 252.A OG LEU 249.A O no hydrogen 3.169 N/A LYS 254.A N GLY 251.A O no hydrogen 3.146 N/A LYS 255.A N SER 252.A O no hydrogen 3.109 N/A HIS 258.A NE2 THR 177.A O no hydrogen 3.128 N/A