Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3o31_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 2.A N SER 1.A OG no hydrogen 2.767 N/A TYR 3.A OH SER 51.A OG no hydrogen 3.246 N/A TYR 5.A OH ASP 44.A OD2 no hydrogen 3.033 N/A TRP 6.A N TYR 3.A O no hydrogen 3.076 N/A LYS 8.A N ILE 4.A O no hydrogen 3.478 N/A ILE 9.A N TYR 5.A O no hydrogen 2.888 N/A LYS 10.A N TRP 6.A O no hydrogen 2.979 N/A LYS 10.A NZ GLU 60.A O no hydrogen 3.183 N/A ARG 11.A N ASP 7.A O no hydrogen 2.790 N/A ILE 12.A N LYS 8.A O no hydrogen 3.048 N/A ALA 13.A N ILE 9.A O no hydrogen 2.916 N/A SER 14.A N LYS 10.A O no hydrogen 2.926 N/A SER 14.A OG ARG 11.A O no hydrogen 2.635 N/A ARG 15.A N ILE 12.A O no hydrogen 2.921 N/A ARG 15.A NH1 GLU 37.A OE2 no hydrogen 2.951 N/A ARG 15.A NH2 GLU 37.A OE1 no hydrogen 2.881 N/A ARG 15.A NH2 GLU 37.A OE2 no hydrogen 3.500 N/A LEU 16.A N ALA 13.A O no hydrogen 2.953 N/A GLU 17.A N ALA 13.A O no hydrogen 3.055 N/A MET 19.A N LEU 16.A O no hydrogen 2.880 N/A ASN 20.A N GLU 17.A O no hydrogen 3.044 N/A TYR 21.A N ASN 20.A OD1 no hydrogen 3.015 N/A HIS 22.A N MET 19.A O no hydrogen 2.938 N/A HIS 22.A ND1 GLU 25.A OE2 no hydrogen 3.223 N/A GLU 25.A N HIS 22.A O no hydrogen 2.989 N/A MET 26.A N PHE 23.A O no hydrogen 3.173 N/A THR 28.A OG1 GLU 82.A OE1 no hydrogen 2.742 N/A GLY 30.A N ASP 27.A OD1 no hydrogen 2.849 N/A VAL 31.A N ASP 27.A O no hydrogen 3.055 N/A MET 32.A N SER 29.A O no hydrogen 3.373 N/A LEU 35.A N VAL 31.A O no hydrogen 3.224 N/A ASP 36.A N MET 32.A O no hydrogen 2.962 N/A GLU 37.A N PRO 33.A O no hydrogen 3.036 N/A ILE 38.A N LEU 34.A O no hydrogen 3.051 N/A GLU 39.A N LEU 35.A O no hydrogen 2.803 N/A GLU 40.A N ASP 36.A O no hydrogen 2.856 N/A ILE 41.A N ILE 38.A O no hydrogen 3.072 N/A ALA 42.A N ILE 38.A O no hydrogen 2.937 N/A HIS 43.A N GLU 39.A O no hydrogen 2.775 N/A HIS 43.A NE2 ASN 254.A OD1 no hydrogen 2.710 N/A ASP 44.A N ILE 41.A O no hydrogen 3.111 N/A THR 46.A N ASP 44.A OD1 no hydrogen 2.970 N/A THR 46.A OG1 TYR 5.A OH no hydrogen 3.379 N/A THR 46.A OG1 ASP 44.A OD1 no hydrogen 2.787 N/A ILE 47.A N ASP 44.A O no hydrogen 3.320 N/A SER 51.A N ASP 48.A OD1 no hydrogen 2.780 N/A SER 51.A OG TYR 3.A OH no hydrogen 3.246 N/A SER 51.A OG ASP 48.A OD1 no hydrogen 2.823 N/A ALA 52.A N ASP 48.A O no hydrogen 3.008 N/A LYS 53.A N PHE 49.A O no hydrogen 2.980 N/A HIS 54.A N GLU 50.A O no hydrogen 3.014 N/A ILE 55.A N SER 51.A O no hydrogen 3.070 N/A LEU 56.A N ALA 52.A O no hydrogen 2.829 N/A ASP 57.A N LYS 53.A O no hydrogen 2.952 N/A ASP 58.A N ILE 55.A O no hydrogen 3.291 N/A GLU 60.A N ASP 58.A OD1 no hydrogen 2.876 N/A MET 61.A N ASP 58.A O no hydrogen 2.863 N/A ASN 62.A N ALA 59.A O no hydrogen 3.183 N/A HIS 63.A NE2 GLU 17.A OE1 no hydrogen 2.752 N/A LEU 65.A N MET 61.A O no hydrogen 2.919 N/A SER 66.A N ASN 62.A O no hydrogen 2.937 N/A SER 66.A OG HIS 63.A O no hydrogen 2.622 N/A LEU 67.A N HIS 63.A O no hydrogen 3.043 N/A ILE 68.A N ALA 64.A O no hydrogen 3.022 N/A ARG 69.A N LEU 65.A O no hydrogen 2.930 N/A ARG 69.A NE ALA 227.A O no hydrogen 3.283 N/A ARG 69.A NH2 ALA 227.A O no hydrogen 2.750 N/A LYS 70.A N SER 66.A O no hydrogen 2.940 N/A LYS 70.A NZ ASN 20.A OD1 no hydrogen 2.841 N/A PHE 71.A N LEU 67.A O no hydrogen 2.990 N/A TYR 72.A N ILE 68.A O no hydrogen 2.966 N/A TYR 72.A OH TYR 222.A OH no hydrogen 2.771 N/A VAL 73.A N ARG 69.A O no hydrogen 2.998 N/A ASN 74.A N LYS 70.A O no hydrogen 3.115 N/A LEU 75.A N PHE 71.A O no hydrogen 2.842 N/A GLY 76.A N TYR 72.A O no hydrogen 2.937 N/A MET 77.A N VAL 73.A O no hydrogen 3.058 N/A LYS 78.A N ASN 74.A O no hydrogen 3.054 N/A LYS 78.A NZ ASP 24.A O no hydrogen 2.902 N/A LYS 78.A NZ MET 26.A O no hydrogen 2.657 N/A LEU 79.A N LEU 75.A O no hydrogen 2.865 N/A GLN 80.A N GLY 76.A O no hydrogen 2.988 N/A MET 81.A N MET 77.A O no hydrogen 2.908 N/A GLU 82.A N LYS 78.A O no hydrogen 2.897 N/A LYS 83.A N LEU 79.A O no hydrogen 2.990 N/A LYS 83.A NZ GLU 86.A OE2 no hydrogen 2.838 N/A LYS 83.A NZ THR 96.A O no hydrogen 3.006 N/A LYS 83.A NZ SER 99.A OG no hydrogen 2.773 N/A ALA 84.A N GLN 80.A O no hydrogen 2.955 N/A GLN 85.A N MET 81.A O no hydrogen 3.123 N/A GLU 86.A N GLU 82.A O no hydrogen 2.943 N/A VAL 87.A N LYS 83.A O no hydrogen 2.824 N/A ILE 88.A N ALA 84.A O no hydrogen 3.086 N/A GLU 89.A N GLN 85.A O no hydrogen 3.208 N/A SER 90.A N VAL 87.A O no hydrogen 3.234 N/A SER 90.A OG THR 96.A OG1 no hydrogen 2.734 N/A SER 92.A N SER 90.A OG no hydrogen 2.860 N/A THR 96.A N SER 92.A O no hydrogen 2.940 N/A THR 96.A OG1 SER 90.A OG no hydrogen 2.734 N/A THR 96.A OG1 SER 92.A O no hydrogen 3.100 N/A LEU 97.A N PRO 93.A O no hydrogen 2.766 N/A ARG 98.A N TRP 94.A O no hydrogen 2.859 N/A SER 99.A N GLU 95.A O no hydrogen 3.233 N/A SER 99.A N THR 96.A O no hydrogen 3.167 N/A SER 99.A OG THR 96.A O no hydrogen 2.752 N/A PHE 100.A N LEU 97.A O no hydrogen 2.973 N/A TYR 103.A N PHE 100.A O no hydrogen 2.997 N/A ARG 105.A N PHE 102.A O no hydrogen 2.973 N/A ARG 105.A NH1 GLU 39.A OE1 no hydrogen 3.495 N/A ARG 105.A NH1 GLU 39.A OE2 no hydrogen 2.728 N/A ARG 105.A NH2 GLU 39.A OE1 no hydrogen 2.929 N/A TYR 106.A N PHE 102.A O no hydrogen 3.331 N/A LEU 107.A N TYR 103.A O no hydrogen 3.331 N/A GLU 108.A N PRO 104.A O no hydrogen 3.269 N/A LEU 109.A N ARG 105.A O no hydrogen 2.785 N/A LEU 110.A N TYR 106.A O no hydrogen 2.917 N/A LYS 111.A N LEU 107.A O no hydrogen 2.996 N/A LYS 111.A NZ GLU 108.A OE2 no hydrogen 2.656 N/A ASN 112.A N GLU 108.A O no hydrogen 2.999 N/A GLU 113.A N LEU 109.A O no hydrogen 2.980 N/A ALA 114.A N LEU 110.A O no hydrogen 2.819 N/A ALA 115.A N LYS 111.A O no hydrogen 3.337 N/A LEU 116.A N ASN 112.A O no hydrogen 3.029 N/A GLY 117.A N GLU 113.A O no hydrogen 2.804 N/A ARG 118.A N ALA 115.A O no hydrogen 3.152 N/A PHE 119.A N ALA 114.A O no hydrogen 2.969 N/A ARG 120.A N GLU 123.A OE1 no hydrogen 3.032 N/A ARG 121.A NH1 VAL 143.A O no hydrogen 3.262 N/A GLY 122.A N GLY 145.A O no hydrogen 2.759 N/A GLU 123.A N ARG 120.A O no hydrogen 3.095 N/A ARG 124.A N ASP 189.A OD2 no hydrogen 2.897 N/A ARG 124.A NE ASP 189.A OD2 no hydrogen 3.082 N/A ARG 124.A NH2 ASP 189.A OD1 no hydrogen 2.746 N/A ALA 125.A N ARG 147.A O no hydrogen 2.788 N/A VAL 126.A N VAL 190.A O no hydrogen 2.980 N/A PHE 127.A N ASN 149.A O no hydrogen 2.955 N/A ILE 128.A N MET 192.A O no hydrogen 2.783 N/A GLY 129.A N VAL 151.A O no hydrogen 2.944 N/A GLY 130.A N VAL 151.A O no hydrogen 3.392 N/A GLY 131.A N GLU 152.A OE1 no hydrogen 3.035 N/A LEU 135.A N LEU 133.A O no hydrogen 2.801 N/A ILE 138.A N PRO 134.A O no hydrogen 2.953 N/A LEU 139.A N LEU 135.A O no hydrogen 2.877 N/A LEU 140.A N THR 136.A O no hydrogen 2.873 N/A SER 141.A N GLY 137.A O no hydrogen 3.348 N/A SER 141.A OG ASP 171.A O no hydrogen 2.453 N/A HIS 142.A N ILE 138.A O no hydrogen 2.910 N/A VAL 143.A N LEU 139.A O no hydrogen 2.774 N/A GLY 145.A N SER 141.A O no hydrogen 2.898 N/A MET 146.A N LEU 140.A O no hydrogen 2.982 N/A ARG 147.A N GLU 123.A O no hydrogen 2.917 N/A VAL 148.A N GLY 172.A O no hydrogen 2.797 N/A ASN 149.A N ALA 125.A O no hydrogen 3.019 N/A VAL 150.A N ASN 174.A O no hydrogen 2.794 N/A VAL 151.A N PHE 127.A O no hydrogen 2.814 N/A GLU 152.A N ILE 176.A O no hydrogen 2.972 N/A GLU 154.A N GLU 152.A OE2 no hydrogen 3.102 N/A ALA 158.A N GLU 154.A O no hydrogen 2.842 N/A GLU 159.A N PRO 155.A O no hydrogen 2.943 N/A LEU 160.A N ASP 156.A O no hydrogen 3.083 N/A SER 161.A N ILE 157.A O no hydrogen 2.898 N/A SER 161.A OG ILE 157.A O no hydrogen 3.357 N/A SER 161.A OG ALA 158.A O no hydrogen 2.846 N/A ARG 162.A N ALA 158.A O no hydrogen 3.011 N/A ARG 162.A NE VAL 175.A O no hydrogen 3.255 N/A ARG 162.A NH2 VAL 175.A O no hydrogen 2.858 N/A ARG 162.A NH2 THR 177.A OG1 no hydrogen 2.920 N/A LYS 163.A N GLU 159.A O no hydrogen 3.209 N/A VAL 164.A N LEU 160.A O no hydrogen 3.065 N/A ILE 165.A N SER 161.A O no hydrogen 3.028 N/A GLU 166.A N ARG 162.A O no hydrogen 2.886 N/A GLY 167.A N LYS 163.A O no hydrogen 2.869 N/A LEU 168.A N VAL 164.A O no hydrogen 3.185 N/A GLY 169.A N GLU 166.A O no hydrogen 3.084 N/A VAL 170.A N ILE 165.A O no hydrogen 3.393 N/A ASN 174.A N VAL 148.A O no hydrogen 3.008 N/A ILE 176.A N VAL 150.A O no hydrogen 2.783 N/A GLY 178.A N GLU 152.A O no hydrogen 2.953 N/A GLU 180.A N GLU 180.A OE1 no hydrogen 2.711 N/A THR 181.A N ASP 179.A OD1 no hydrogen 2.949 N/A VAL 182.A N ASP 179.A O no hydrogen 3.126 N/A ILE 183.A N GLU 180.A O no hydrogen 3.237 N/A ASP 184.A N THR 181.A O no hydrogen 3.097 N/A GLY 185.A N VAL 182.A O no hydrogen 3.153 N/A LEU 186.A N ILE 183.A O no hydrogen 3.059 N/A ASP 189.A N ARG 124.A O no hydrogen 2.886 N/A VAL 190.A N ARG 124.A O no hydrogen 3.069 N/A LEU 191.A N ARG 216.A O no hydrogen 2.878 N/A MET 192.A N VAL 126.A O no hydrogen 2.782 N/A VAL 193.A N ILE 218.A O no hydrogen 2.901 N/A ALA 194.A N ILE 128.A O no hydrogen 2.929 N/A ALA 197.A N ALA 194.A O no hydrogen 3.192 N/A LYS 200.A N GLU 198.A OE1 no hydrogen 3.079 N/A LYS 200.A NZ ALA 195.A O no hydrogen 2.928 N/A LYS 200.A NZ ALA 197.A O no hydrogen 2.700 N/A ARG 202.A NE GLU 180.A OE2 no hydrogen 2.866 N/A ARG 202.A NH2 GLU 180.A OE1 no hydrogen 3.038 N/A ARG 202.A NH2 GLU 180.A OE2 no hydrogen 3.550 N/A VAL 203.A N PRO 199.A O no hydrogen 3.097 N/A PHE 204.A N LYS 200.A O no hydrogen 2.929 N/A ARG 205.A N ARG 201.A O no hydrogen 3.119 N/A ARG 205.A NH1 THR 239.A O no hydrogen 2.730 N/A ARG 205.A NH2 THR 239.A O no hydrogen 2.854 N/A ASN 206.A N ARG 202.A O no hydrogen 2.936 N/A ILE 207.A N VAL 203.A O no hydrogen 2.915 N/A HIS 208.A N PHE 204.A O no hydrogen 2.921 N/A HIS 208.A NE2 GLY 240.A O no hydrogen 2.998 N/A ARG 209.A N ASN 206.A O no hydrogen 3.050 N/A TYR 210.A N ILE 207.A O no hydrogen 2.977 N/A VAL 211.A N ILE 207.A O no hydrogen 3.154 N/A ASP 212.A N THR 215.A OG1 no hydrogen 3.123 N/A THR 213.A OG1 GLU 214.A OE2 no hydrogen 2.956 N/A GLU 214.A N ASP 212.A OD1 no hydrogen 2.839 N/A THR 215.A N ASP 212.A O no hydrogen 3.292 N/A THR 215.A OG1 ASP 212.A O no hydrogen 3.188 N/A THR 215.A OG1 ASP 212.A OD1 no hydrogen 3.072 N/A ARG 216.A N ASP 189.A O no hydrogen 3.365 N/A ARG 216.A NE GLY 117.A O no hydrogen 3.099 N/A ARG 216.A NH1 GLU 123.A OE2 no hydrogen 3.032 N/A ARG 216.A NH2 GLY 117.A O no hydrogen 2.892 N/A ARG 216.A NH2 GLU 123.A OE1 no hydrogen 2.612 N/A ARG 216.A NH2 GLU 123.A OE2 no hydrogen 3.253 N/A ILE 217.A N VAL 260.A O no hydrogen 3.229 N/A ILE 218.A N LEU 191.A O no hydrogen 2.862 N/A TYR 219.A N VAL 258.A O no hydrogen 2.966 N/A ARG 220.A N VAL 193.A O no hydrogen 3.267 N/A ARG 220.A NE GLU 113.A OE2 no hydrogen 2.748 N/A ARG 220.A NH1 THR 136.A OG1 no hydrogen 2.959 N/A ARG 220.A NH2 GLU 113.A OE1 no hydrogen 2.641 N/A ARG 220.A NH2 GLU 113.A OE2 no hydrogen 3.466 N/A ARG 220.A NH2 THR 136.A OG1 no hydrogen 3.408 N/A THR 221.A N THR 256.A O no hydrogen 2.833 N/A TYR 222.A N THR 221.A OG1 no hydrogen 2.767 N/A TYR 222.A OH TYR 72.A OH no hydrogen 2.771 N/A THR 223.A OG1 THR 256.A OG1 no hydrogen 2.756 N/A ARG 226.A NE VAL 253.A O no hydrogen 2.769 N/A ARG 226.A NH2 VAL 253.A O no hydrogen 3.502 N/A ALA 227.A N GLY 224.A O no hydrogen 3.044 N/A ILE 228.A N MET 225.A O no hydrogen 2.916 N/A LEU 229.A N ARG 226.A O no hydrogen 3.038 N/A TYR 230.A OH GLU 198.A OE2 no hydrogen 2.461 N/A VAL 233.A N THR 221.A OG1 no hydrogen 2.947 N/A SER 234.A N ASP 237.A OD2 no hydrogen 2.955 N/A ASP 237.A N SER 234.A O no hydrogen 2.983 N/A ASP 237.A N SER 234.A OG no hydrogen 3.199 N/A ILE 238.A N ASP 235.A O no hydrogen 3.318 N/A THR 239.A N ASP 236.A O no hydrogen 3.273 N/A THR 239.A OG1 ASP 236.A O no hydrogen 2.898 N/A PHE 241.A N ILE 238.A O no hydrogen 3.145 N/A ARG 242.A N PHE 261.A O no hydrogen 2.798 N/A ALA 244.A N LEU 259.A O no hydrogen 2.771 N/A VAL 247.A N SER 257.A O no hydrogen 2.860 N/A VAL 253.A N SER 250.A O no hydrogen 3.357 N/A ASN 254.A ND2 GLU 39.A OE2 no hydrogen 2.989 N/A ASN 255.A ND2 THR 221.A O no hydrogen 3.425 N/A THR 256.A N THR 221.A O no hydrogen 2.887 N/A THR 256.A OG1 THR 223.A OG1 no hydrogen 2.756 N/A SER 257.A N VAL 247.A O no hydrogen 3.044 N/A SER 257.A OG GLU 113.A OE2 no hydrogen 2.697 N/A VAL 258.A N TYR 219.A O no hydrogen 2.946 N/A LEU 259.A N GLY 245.A O no hydrogen 2.872 N/A VAL 260.A N ILE 217.A O no hydrogen 2.793 N/A PHE 261.A N ARG 242.A O no hydrogen 2.986 N/A LYS 262.A NZ HIS 208.A O no hydrogen 2.890 N/A LYS 262.A NZ VAL 211.A O no hydrogen 3.232 N/A CYS 263.A N GLY 240.A O no hydrogen 2.972 N/A