Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rl4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 6.A N GLU 218.A OE2 no hydrogen 2.847 N/A TYR 8.A N ASP 6.A OD1 no hydrogen 2.856 N/A SER 9.A N ASP 6.A O no hydrogen 3.040 N/A SER 9.A OG GLU 218.A OE1 no hydrogen 2.582 N/A ASN 11.A N TYR 8.A O no hydrogen 3.034 N/A GLN 14.A N GLN 14.A OE1 no hydrogen 2.834 N/A ALA 15.A N ASN 11.A O no hydrogen 2.822 N/A PHE 16.A N PRO 12.A O no hydrogen 2.901 N/A THR 17.A N THR 13.A O no hydrogen 3.112 N/A HIS 18.A N GLN 14.A O no hydrogen 2.869 N/A TYR 19.A N ALA 15.A O no hydrogen 3.008 N/A TYR 19.A OH ASP 6.A OD2 no hydrogen 2.512 N/A ASN 20.A N PHE 16.A O no hydrogen 3.029 N/A ILE 21.A N THR 17.A O no hydrogen 2.905 N/A ASN 22.A N HIS 18.A O no hydrogen 3.068 N/A GLN 23.A N TYR 19.A O no hydrogen 2.995 N/A SER 24.A N ASN 20.A O no hydrogen 2.979 N/A ARG 25.A N TYR 19.A O no hydrogen 3.169 N/A ARG 25.A NE GLN 224.A OE1 no hydrogen 2.772 N/A ARG 25.A NH1 ASN 221.A OD1 no hydrogen 3.021 N/A ARG 25.A NH2 ASN 221.A OD1 no hydrogen 2.837 N/A ARG 25.A NH2 GLN 224.A OE1 no hydrogen 2.758 N/A PHE 26.A N ASN 20.A OD1 no hydrogen 2.849 N/A GLN 27.A N SER 24.A O no hydrogen 3.275 N/A VAL 31.A N GLN 27.A O no hydrogen 3.153 N/A HIS 32.A N THR 245.A O no hydrogen 3.226 N/A HIS 32.A ND1 PRO 29.A O no hydrogen 3.256 N/A VAL 34.A N THR 243.A O no hydrogen 2.900 N/A TYR 39.A OH PRO 267.A O no hydrogen 2.691 N/A THR 41.A N PRO 38.A O no hydrogen 3.069 N/A THR 41.A OG1 PRO 38.A O no hydrogen 2.681 N/A LYS 43.A NZ HIS 47.A O no hydrogen 2.862 N/A LYS 43.A NZ ASP 69.A OD2 no hydrogen 2.943 N/A HIS 47.A ND1 ALA 45.A O no hydrogen 2.878 N/A THR 48.A N LEU 272.A O no hydrogen 2.890 N/A THR 48.A OG1 ASN 274.A OD1 no hydrogen 2.720 N/A ARG 49.A N ASP 69.A OD2 no hydrogen 2.881 N/A ARG 49.A NE ASP 271.A OD1 no hydrogen 2.732 N/A ARG 49.A NH1 THR 41.A O no hydrogen 2.888 N/A ARG 49.A NH2 THR 41.A O no hydrogen 2.996 N/A ARG 49.A NH2 ASP 271.A OD1 no hydrogen 3.568 N/A ARG 49.A NH2 ASP 271.A OD2 no hydrogen 2.867 N/A PHE 50.A N PHE 270.A O no hydrogen 2.820 N/A VAL 51.A N ILE 70.A O no hydrogen 2.824 N/A CYS 52.A N ILE 268.A O no hydrogen 2.807 N/A ILE 53.A N LEU 72.A O no hydrogen 2.965 N/A SER 54.A OG ASP 55.A OD2 no hydrogen 2.734 N/A SER 54.A OG THR 74.A OG1 no hydrogen 2.724 N/A ASP 55.A N GLY 75.A O no hydrogen 2.778 N/A THR 56.A OG1 HIS 73.A NE2 no hydrogen 2.824 N/A HIS 57.A N ASP 76.A O no hydrogen 2.890 N/A HIS 57.A ND1 GLU 79.A OE1 no hydrogen 2.894 N/A SER 58.A OG GLU 85.A OE2 no hydrogen 2.969 N/A ARG 59.A N THR 56.A O no hydrogen 2.854 N/A ILE 63.A N THR 60.A O no hydrogen 3.187 N/A GLN 64.A NE2 GLY 62.A O no hydrogen 3.562 N/A ASP 69.A N ARG 49.A O no hydrogen 2.836 N/A ILE 70.A N ARG 49.A O no hydrogen 3.151 N/A LEU 71.A N TYR 100.A O no hydrogen 2.939 N/A LEU 72.A N VAL 51.A O no hydrogen 2.805 N/A HIS 73.A N ILE 102.A O no hydrogen 2.860 N/A HIS 73.A NE2 THR 56.A OG1 no hydrogen 2.824 N/A THR 74.A N ILE 53.A O no hydrogen 3.078 N/A THR 74.A OG1 SER 54.A OG no hydrogen 2.724 N/A GLY 75.A N HIS 73.A ND1 no hydrogen 3.064 N/A ASP 76.A N GLU 109.A OE1 no hydrogen 2.807 N/A THR 78.A N GLU 109.A OE2 no hydrogen 2.804 N/A THR 78.A OG1 HIS 108.A O no hydrogen 3.520 N/A THR 78.A OG1 GLU 109.A OE2 no hydrogen 2.662 N/A GLU 79.A N GLU 85.A OE2 no hydrogen 2.821 N/A LEU 80.A N GLU 85.A OE1 no hydrogen 2.961 N/A GLY 81.A N THR 78.A OG1 no hydrogen 2.811 N/A LEU 82.A N GLU 85.A OE1 no hydrogen 3.129 N/A VAL 86.A N LEU 82.A O no hydrogen 3.087 N/A LYS 87.A N PRO 83.A O no hydrogen 2.934 N/A LYS 87.A NZ ASP 91.A OD2 no hydrogen 2.870 N/A LYS 88.A N SER 84.A O no hydrogen 2.992 N/A LYS 88.A NZ ASP 61.A OD1 no hydrogen 3.169 N/A LYS 88.A NZ ASP 61.A OD2 no hydrogen 3.294 N/A PHE 89.A N GLU 85.A O no hydrogen 3.017 N/A ASN 90.A N VAL 86.A O no hydrogen 2.862 N/A ASN 90.A ND2 THR 141.A OG1 no hydrogen 2.942 N/A ASP 91.A N LYS 87.A O no hydrogen 2.857 N/A TRP 92.A N LYS 88.A O no hydrogen 3.014 N/A LEU 93.A N PHE 89.A O no hydrogen 2.936 N/A GLY 94.A N ASN 90.A O no hydrogen 3.020 N/A ASN 95.A N TRP 92.A O no hydrogen 3.146 N/A LEU 96.A N LEU 93.A O no hydrogen 3.040 N/A TYR 98.A OH PRO 66.A O no hydrogen 2.599 N/A GLU 99.A N ASP 69.A O no hydrogen 2.999 N/A LYS 101.A NZ LEU 96.A O no hydrogen 2.979 N/A LYS 101.A NZ TYR 98.A O no hydrogen 2.829 N/A ILE 102.A N LEU 71.A O no hydrogen 2.788 N/A VAL 103.A N ILE 144.A O no hydrogen 2.952 N/A ILE 104.A N HIS 73.A O no hydrogen 3.106 N/A GLY 106.A N GLU 109.A OE1 no hydrogen 2.726 N/A HIS 108.A N ASP 76.A OD1 no hydrogen 2.879 N/A HIS 108.A ND1 GLU 79.A O no hydrogen 2.732 N/A GLU 109.A N GLY 106.A O no hydrogen 3.105 N/A LEU 110.A N HIS 108.A O no hydrogen 2.887 N/A THR 111.A OG1 GLY 81.A O no hydrogen 2.601 N/A PHE 112.A N GLU 109.A O no hydrogen 2.989 N/A ASP 113.A N LEU 110.A O no hydrogen 3.082 N/A LYS 114.A NZ THR 111.A O no hydrogen 2.935 N/A PHE 116.A N ASP 113.A OD1 no hydrogen 3.029 N/A MET 117.A N ASP 113.A O no hydrogen 3.017 N/A ALA 118.A N LYS 114.A O no hydrogen 2.866 N/A ASP 119.A N GLU 115.A O no hydrogen 3.004 N/A LEU 120.A N MET 117.A O no hydrogen 3.243 N/A SER 126.A N PHE 122.A O no hydrogen 2.824 N/A SER 126.A OG PHE 122.A O no hydrogen 2.762 N/A LEU 128.A N VAL 125.A O no hydrogen 3.223 N/A LYS 129.A N ASP 132.A OD2 no hydrogen 2.863 N/A ASP 132.A N LYS 129.A O no hydrogen 2.826 N/A PHE 133.A N PRO 130.A O no hydrogen 3.218 N/A SER 138.A OG ASN 135.A O no hydrogen 2.408 N/A LEU 139.A N ASN 135.A O no hydrogen 3.222 N/A LEU 139.A N VAL 136.A O no hydrogen 2.992 N/A LEU 140.A N GLN 137.A O no hydrogen 3.060 N/A ASN 142.A N ASN 90.A OD1 no hydrogen 2.835 N/A SER 143.A N LEU 140.A O no hydrogen 3.119 N/A SER 143.A OG LEU 140.A O no hydrogen 3.058 N/A ILE 144.A N LYS 101.A O no hydrogen 2.783 N/A TYR 145.A OH GLN 147.A OE1 no hydrogen 2.664 N/A LEU 146.A N VAL 103.A O no hydrogen 2.901 N/A GLN 147.A N SER 149.A OG no hydrogen 2.923 N/A SER 149.A N GLY 160.A O no hydrogen 3.298 N/A VAL 151.A N ILE 158.A O no hydrogen 2.852 N/A VAL 153.A N PHE 156.A O no hydrogen 2.959 N/A LYS 154.A NZ THR 48.A OG1 no hydrogen 2.799 N/A PHE 156.A N VAL 153.A O no hydrogen 2.816 N/A ARG 157.A N ASP 192.A OD2 no hydrogen 2.858 N/A ARG 157.A NH2 GLU 150.A OE1 no hydrogen 2.893 N/A ILE 158.A N VAL 151.A O no hydrogen 2.896 N/A TYR 159.A N ILE 193.A O no hydrogen 2.983 N/A GLY 160.A N SER 149.A O no hydrogen 2.951 N/A ALA 161.A N MET 195.A O no hydrogen 2.968 N/A TRP 163.A NE1 ASP 148.A OD1 no hydrogen 2.905 N/A TRP 163.A NE1 ASP 148.A OD2 no hydrogen 2.969 N/A THR 164.A N PHE 172.A O no hydrogen 2.972 N/A TRP 166.A N LEU 174.A O no hydrogen 2.769 N/A PHE 167.A N ASN 173.A OD1 no hydrogen 2.891 N/A ASN 168.A N ASN 173.A OD1 no hydrogen 3.196 N/A GLY 169.A N ASN 173.A OD1 no hydrogen 3.021 N/A TRP 170.A N ASN 168.A OD1 no hydrogen 3.207 N/A GLY 171.A N ASN 107.A O no hydrogen 2.849 N/A PHE 172.A N ASP 113.A OD2 no hydrogen 2.766 N/A ASN 173.A ND2 GLY 171.A O no hydrogen 3.018 N/A LEU 174.A N THR 164.A O no hydrogen 2.989 N/A ARG 176.A NH1 VAL 214.A O no hydrogen 3.555 N/A ARG 176.A NH1 GLY 215.A O no hydrogen 2.972 N/A ARG 176.A NH2 VAL 214.A O no hydrogen 2.819 N/A GLN 178.A NE2 ASP 182.A OD1 no hydrogen 2.878 N/A LEU 181.A N GLY 177.A O no hydrogen 2.962 N/A ASP 182.A N GLN 178.A O no hydrogen 2.844 N/A LYS 183.A N LEU 180.A O no hydrogen 2.887 N/A TRP 184.A N LEU 180.A O no hydrogen 2.951 N/A ASN 185.A N LEU 181.A O no hydrogen 2.826 N/A LEU 186.A N LYS 183.A O no hydrogen 3.078 N/A ILE 187.A N TRP 184.A O no hydrogen 3.019 N/A GLU 189.A N GLU 189.A OE1 no hydrogen 2.913 N/A THR 191.A N PRO 188.A O no hydrogen 3.157 N/A THR 191.A OG1 PRO 188.A O no hydrogen 2.728 N/A ASP 192.A N ARG 157.A O no hydrogen 2.807 N/A ILE 193.A N ARG 157.A O no hydrogen 3.052 N/A LEU 194.A N LEU 231.A O no hydrogen 2.874 N/A MET 195.A N TYR 159.A O no hydrogen 2.785 N/A THR 196.A N VAL 233.A O no hydrogen 3.106 N/A THR 196.A OG1 GLY 198.A O no hydrogen 2.716 N/A THR 196.A OG1 HIS 232.A NE2 no hydrogen 2.803 N/A HIS 197.A N ALA 161.A O no hydrogen 3.242 N/A HIS 197.A ND1 THR 74.A O no hydrogen 2.784 N/A LEU 201.A N CYS 216.A O no hydrogen 3.047 N/A GLY 202.A N ASP 205.A OD2 no hydrogen 2.973 N/A PHE 203.A N PRO 200.A O no hydrogen 3.352 N/A ARG 204.A NE GLY 240.A O no hydrogen 2.702 N/A ARG 204.A NH2 GLY 240.A O no hydrogen 3.251 N/A ARG 204.A NH2 TYR 241.A O no hydrogen 3.025 N/A VAL 207.A N GLN 212.A O no hydrogen 2.930 N/A GLU 210.A N VAL 207.A O no hydrogen 3.293 N/A LEU 211.A N PRO 208.A O no hydrogen 3.302 N/A GLN 212.A N VAL 207.A O no hydrogen 3.443 N/A ARG 213.A N THR 13.A OG1 no hydrogen 3.043 N/A ARG 213.A NH1 ASP 205.A OD1 no hydrogen 2.783 N/A VAL 214.A N ASP 205.A O no hydrogen 3.000 N/A GLY 215.A N ASP 205.A OD2 no hydrogen 2.823 N/A CYS 216.A N PRO 199.A O no hydrogen 3.057 N/A LEU 220.A N CYS 216.A O no hydrogen 3.100 N/A ASN 221.A N VAL 217.A O no hydrogen 3.003 N/A ASN 221.A ND2 ASP 6.A OD2 no hydrogen 2.988 N/A THR 222.A N GLU 218.A O no hydrogen 2.926 N/A THR 222.A OG1 GLU 218.A O no hydrogen 2.815 N/A VAL 223.A N LEU 219.A O no hydrogen 2.864 N/A GLN 224.A N LEU 220.A O no hydrogen 2.922 N/A GLN 224.A NE2 ASP 246.A OD2 no hydrogen 2.911 N/A ARG 225.A N ASN 221.A O no hydrogen 2.895 N/A ARG 226.A N THR 222.A O no hydrogen 3.067 N/A ARG 226.A NH1 ILE 187.A O no hydrogen 2.960 N/A ARG 226.A NH1 GLU 189.A OE2 no hydrogen 2.953 N/A ARG 226.A NH2 ILE 187.A O no hydrogen 2.862 N/A VAL 227.A N THR 222.A O no hydrogen 2.900 N/A ARG 228.A N VAL 223.A O no hydrogen 2.757 N/A LYS 230.A NZ TYR 248.A O no hydrogen 2.951 N/A LEU 231.A N ASP 192.A O no hydrogen 3.225 N/A HIS 232.A N THR 250.A O no hydrogen 2.842 N/A HIS 232.A NE2 THR 196.A OG1 no hydrogen 2.803 N/A VAL 233.A N LEU 194.A O no hydrogen 2.885 N/A PHE 234.A N ILE 252.A O no hydrogen 2.962 N/A GLY 235.A N HIS 197.A O no hydrogen 2.817 N/A HIS 236.A N ASP 55.A OD2 no hydrogen 2.872 N/A HIS 236.A ND1 HIS 197.A NE2 no hydrogen 3.085 N/A ILE 237.A N GLY 235.A O no hydrogen 2.808 N/A HIS 238.A ND1 THR 258.A O no hydrogen 2.879 N/A HIS 238.A NE2 ASP 55.A OD1 no hydrogen 3.015 N/A GLU 239.A N GLU 239.A OE1 no hydrogen 2.702 N/A GLY 240.A N ILE 237.A O no hydrogen 2.904 N/A TYR 241.A N HIS 238.A O no hydrogen 3.144 N/A TYR 241.A OH PRO 266.A O no hydrogen 2.553 N/A GLY 242.A N ASN 253.A O no hydrogen 2.926 N/A MET 244.A N TYR 251.A O no hydrogen 2.905 N/A THR 245.A N HIS 32.A O no hydrogen 2.969 N/A THR 245.A OG1 THR 249.A O no hydrogen 3.118 N/A ASP 246.A N THR 249.A O no hydrogen 3.120 N/A GLY 247.A N THR 245.A OG1 no hydrogen 3.003 N/A TYR 248.A N ASP 246.A OD1 no hydrogen 2.907 N/A THR 249.A N ASP 246.A OD1 no hydrogen 2.795 N/A THR 249.A OG1 PRO 229.A O no hydrogen 2.686 N/A THR 250.A N LYS 230.A O no hydrogen 2.928 N/A TYR 251.A N MET 244.A O no hydrogen 2.825 N/A TYR 251.A OH ASP 246.A OD2 no hydrogen 2.762 N/A ILE 252.A N HIS 232.A O no hydrogen 2.913 N/A ASN 253.A N GLY 242.A O no hydrogen 2.848 N/A ASN 253.A ND2 ARG 204.A O no hydrogen 3.112 N/A ASN 253.A ND2 ILE 237.A O no hydrogen 2.912 N/A ALA 254.A N PHE 234.A O no hydrogen 2.788 N/A SER 255.A N ASN 253.A OD1 no hydrogen 3.121 N/A SER 255.A OG ASP 55.A OD2 no hydrogen 3.532 N/A SER 255.A OG ASN 253.A OD1 no hydrogen 2.804 N/A THR 256.A N SER 54.A O no hydrogen 2.788 N/A THR 256.A OG1 SER 54.A O no hydrogen 3.048 N/A CYS 257.A N ASP 55.A O no hydrogen 3.263 N/A CYS 257.A SG ASP 55.A O no hydrogen 3.307 N/A CYS 257.A SG THR 56.A O no hydrogen 3.779 N/A THR 258.A N GLN 262.A O no hydrogen 2.903 N/A SER 260.A N THR 258.A OG1 no hydrogen 3.338 N/A PHE 261.A N THR 258.A O no hydrogen 2.798 N/A GLN 262.A N THR 258.A OG1 no hydrogen 3.242 N/A THR 264.A N GLN 262.A O no hydrogen 2.851 N/A ASN 265.A N THR 256.A O no hydrogen 2.972 N/A ASN 265.A ND2 SER 255.A O no hydrogen 2.882 N/A ILE 268.A N CYS 52.A O no hydrogen 3.110 N/A PHE 270.A N PHE 50.A O no hydrogen 2.906 N/A LEU 272.A N THR 48.A O no hydrogen 3.019 N/A ASN 274.A N GLY 46.A O no hydrogen 2.880 N/A