Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rl5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 6.A N GLU 222.A OE2 no hydrogen 2.859 N/A TYR 8.A N ASP 6.A OD1 no hydrogen 2.847 N/A SER 9.A N ASP 6.A O no hydrogen 2.954 N/A SER 9.A OG GLU 222.A OE1 no hydrogen 2.577 N/A ASN 11.A N TYR 8.A O no hydrogen 2.956 N/A ALA 15.A N ASN 11.A O no hydrogen 2.819 N/A PHE 16.A N PRO 12.A O no hydrogen 2.950 N/A THR 17.A N THR 13.A O no hydrogen 3.140 N/A THR 17.A OG1 THR 13.A O no hydrogen 3.564 N/A HIS 18.A N GLN 14.A O no hydrogen 2.829 N/A TYR 19.A N ALA 15.A O no hydrogen 3.003 N/A TYR 19.A OH ASP 6.A OD2 no hydrogen 2.498 N/A ASN 20.A N PHE 16.A O no hydrogen 2.838 N/A ASN 20.A ND2 GLN 27.A OE1 no hydrogen 3.123 N/A ILE 21.A N THR 17.A O no hydrogen 2.825 N/A ASN 22.A N HIS 18.A O no hydrogen 2.994 N/A GLN 23.A N TYR 19.A O no hydrogen 2.921 N/A SER 24.A N ASN 20.A O no hydrogen 2.899 N/A ARG 25.A N TYR 19.A O no hydrogen 3.247 N/A ARG 25.A NE GLN 228.A OE1 no hydrogen 2.784 N/A ARG 25.A NH1 ASN 225.A OD1 no hydrogen 2.936 N/A ARG 25.A NH2 ASN 225.A OD1 no hydrogen 2.834 N/A ARG 25.A NH2 GLN 228.A OE1 no hydrogen 2.770 N/A PHE 26.A N ASN 20.A OD1 no hydrogen 2.918 N/A GLN 27.A N SER 24.A O no hydrogen 3.159 N/A VAL 31.A N GLN 27.A O no hydrogen 3.206 N/A HIS 32.A N THR 249.A O no hydrogen 3.236 N/A HIS 32.A ND1 MET 33.A O no hydrogen 2.776 N/A VAL 34.A N THR 247.A O no hydrogen 2.901 N/A TYR 39.A OH PRO 271.A O no hydrogen 2.654 N/A THR 41.A N PRO 38.A O no hydrogen 3.032 N/A THR 41.A OG1 PRO 38.A O no hydrogen 2.715 N/A LYS 43.A NZ HIS 47.A O no hydrogen 2.944 N/A LYS 43.A NZ ASP 69.A OD2 no hydrogen 2.776 N/A HIS 47.A ND1 ALA 45.A O no hydrogen 2.812 N/A THR 48.A N LEU 276.A O no hydrogen 2.863 N/A THR 48.A OG1 ASN 278.A OD1 no hydrogen 2.669 N/A ARG 49.A N ASP 69.A OD2 no hydrogen 2.845 N/A ARG 49.A NE ASP 275.A OD1 no hydrogen 2.754 N/A ARG 49.A NH1 THR 41.A O no hydrogen 2.956 N/A ARG 49.A NH2 THR 41.A O no hydrogen 2.946 N/A ARG 49.A NH2 ASP 275.A OD2 no hydrogen 2.849 N/A PHE 50.A N PHE 274.A O no hydrogen 2.820 N/A VAL 51.A N ILE 70.A O no hydrogen 2.849 N/A CYS 52.A N ILE 272.A O no hydrogen 2.769 N/A ILE 53.A N LEU 72.A O no hydrogen 2.992 N/A SER 54.A N THR 260.A OG1 no hydrogen 3.330 N/A SER 54.A OG ASP 55.A OD2 no hydrogen 2.630 N/A SER 54.A OG THR 74.A OG1 no hydrogen 2.712 N/A ASP 55.A N GLY 75.A O no hydrogen 2.766 N/A THR 56.A OG1 HIS 73.A NE2 no hydrogen 2.814 N/A ARG 57.A N ASP 76.A O no hydrogen 2.853 N/A ARG 57.A NE GLU 79.A OE1 no hydrogen 2.630 N/A ARG 57.A NH2 GLU 79.A OE1 no hydrogen 2.944 N/A SER 58.A OG GLU 85.A OE2 no hydrogen 2.886 N/A ARG 59.A N THR 56.A O no hydrogen 2.772 N/A ILE 63.A N THR 60.A O no hydrogen 3.126 N/A ASP 69.A N ARG 49.A O no hydrogen 2.853 N/A ILE 70.A N ARG 49.A O no hydrogen 3.196 N/A LEU 71.A N TYR 100.A O no hydrogen 2.971 N/A LEU 72.A N VAL 51.A O no hydrogen 2.813 N/A HIS 73.A N ILE 102.A O no hydrogen 2.852 N/A HIS 73.A NE2 THR 56.A OG1 no hydrogen 2.814 N/A THR 74.A N ILE 53.A O no hydrogen 3.100 N/A THR 74.A OG1 SER 54.A OG no hydrogen 2.712 N/A GLY 75.A N HIS 73.A ND1 no hydrogen 3.068 N/A ASP 76.A N GLU 109.A OE1 no hydrogen 2.793 N/A THR 78.A N GLU 109.A OE2 no hydrogen 2.861 N/A THR 78.A OG1 GLU 109.A OE2 no hydrogen 2.716 N/A GLU 79.A N GLU 85.A OE2 no hydrogen 2.801 N/A LEU 80.A N GLU 85.A OE1 no hydrogen 2.988 N/A GLY 81.A N THR 78.A OG1 no hydrogen 2.819 N/A LEU 82.A N GLU 85.A OE1 no hydrogen 3.111 N/A VAL 86.A N LEU 82.A O no hydrogen 3.073 N/A LYS 87.A N PRO 83.A O no hydrogen 2.932 N/A LYS 87.A NZ ASP 91.A OD2 no hydrogen 2.926 N/A LYS 88.A N SER 84.A O no hydrogen 2.986 N/A LYS 88.A NZ ASP 61.A OD1 no hydrogen 2.986 N/A PHE 89.A N GLU 85.A O no hydrogen 2.998 N/A ASN 90.A N VAL 86.A O no hydrogen 2.880 N/A ASN 90.A ND2 THR 147.A OG1 no hydrogen 2.907 N/A ASP 91.A N LYS 87.A O no hydrogen 2.875 N/A TRP 92.A N LYS 88.A O no hydrogen 3.016 N/A LEU 93.A N PHE 89.A O no hydrogen 2.923 N/A GLY 94.A N ASN 90.A O no hydrogen 3.018 N/A ASN 95.A N TRP 92.A O no hydrogen 3.138 N/A LEU 96.A N LEU 93.A O no hydrogen 3.039 N/A TYR 98.A OH PRO 66.A O no hydrogen 2.649 N/A GLU 99.A N ASP 69.A O no hydrogen 3.021 N/A LYS 101.A NZ LEU 96.A O no hydrogen 2.990 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 2.779 N/A VAL 103.A N ILE 150.A O no hydrogen 2.941 N/A ILE 104.A N HIS 73.A O no hydrogen 3.091 N/A GLY 106.A N GLU 109.A OE1 no hydrogen 2.734 N/A HIS 108.A N ASP 76.A OD1 no hydrogen 2.813 N/A HIS 108.A ND1 GLU 79.A O no hydrogen 2.703 N/A GLU 109.A N GLY 106.A O no hydrogen 3.090 N/A LEU 110.A N HIS 108.A O no hydrogen 2.882 N/A THR 111.A OG1 GLY 81.A O no hydrogen 2.615 N/A PHE 112.A N GLU 109.A O no hydrogen 2.986 N/A ASP 113.A N LEU 110.A O no hydrogen 3.109 N/A LYS 114.A NZ THR 111.A O no hydrogen 2.793 N/A LYS 114.A NZ PHE 139.A O no hydrogen 3.109 N/A PHE 116.A N ASP 113.A OD1 no hydrogen 3.026 N/A MET 117.A N ASP 113.A O no hydrogen 3.021 N/A ALA 118.A N LYS 114.A O no hydrogen 3.029 N/A ASP 119.A N GLU 115.A O no hydrogen 2.991 N/A LEU 120.A N PHE 116.A O no hydrogen 2.870 N/A LYS 122.A N ASP 119.A O no hydrogen 3.172 N/A GLN 123.A N LEU 120.A O no hydrogen 3.156 N/A ASP 124.A N ASP 124.A OD1 no hydrogen 2.512 N/A TYR 125.A N GLN 123.A O no hydrogen 2.915 N/A ARG 127.A N ASP 124.A O no hydrogen 2.854 N/A ARG 127.A NE ASP 124.A OD2 no hydrogen 2.726 N/A ARG 127.A NH1 GLY 173.A O no hydrogen 3.186 N/A ARG 127.A NH2 ASP 124.A OD1 no hydrogen 3.566 N/A PHE 128.A N TYR 125.A O no hydrogen 3.229 N/A VAL 131.A N PHE 128.A O no hydrogen 3.129 N/A SER 132.A N PHE 128.A O no hydrogen 2.872 N/A SER 132.A OG TYR 125.A O no hydrogen 2.712 N/A SER 132.A OG PHE 128.A O no hydrogen 3.262 N/A LYS 133.A N PRO 129.A O no hydrogen 3.112 N/A LEU 134.A N VAL 131.A O no hydrogen 3.069 N/A LYS 135.A N ASP 138.A OD2 no hydrogen 2.840 N/A ASP 138.A N LYS 135.A O no hydrogen 2.753 N/A PHE 139.A N PRO 136.A O no hydrogen 3.287 N/A VAL 142.A N PHE 139.A O no hydrogen 3.459 N/A LEU 145.A N VAL 142.A O no hydrogen 3.009 N/A LEU 146.A N GLN 143.A O no hydrogen 3.007 N/A ASN 148.A N ASN 90.A OD1 no hydrogen 2.805 N/A SER 149.A N LEU 146.A O no hydrogen 3.060 N/A SER 149.A OG LEU 146.A O no hydrogen 2.943 N/A ILE 150.A N LYS 101.A O no hydrogen 2.806 N/A TYR 151.A OH GLN 153.A OE1 no hydrogen 2.662 N/A LEU 152.A N VAL 103.A O no hydrogen 2.910 N/A GLN 153.A N SER 155.A OG no hydrogen 2.890 N/A SER 155.A N GLY 166.A O no hydrogen 3.315 N/A VAL 157.A N ILE 164.A O no hydrogen 2.879 N/A VAL 159.A N PHE 162.A O no hydrogen 2.908 N/A LYS 160.A NZ GLU 99.A OE1 no hydrogen 2.917 N/A PHE 162.A N VAL 159.A O no hydrogen 2.807 N/A ARG 163.A N ASP 196.A OD2 no hydrogen 2.857 N/A ARG 163.A NH2 GLU 156.A OE1 no hydrogen 2.856 N/A ILE 164.A N VAL 157.A O no hydrogen 2.884 N/A TYR 165.A N ILE 197.A O no hydrogen 2.981 N/A GLY 166.A N SER 155.A O no hydrogen 2.950 N/A ALA 167.A N MET 199.A O no hydrogen 2.949 N/A TRP 169.A NE1 ASP 154.A OD1 no hydrogen 3.051 N/A TRP 169.A NE1 ASP 154.A OD2 no hydrogen 2.867 N/A THR 170.A N PHE 176.A O no hydrogen 2.929 N/A THR 170.A OG1 ASN 107.A OD1 no hydrogen 2.860 N/A TRP 172.A NE1 VAL 218.A O no hydrogen 3.235 N/A GLY 175.A N ASN 107.A O no hydrogen 2.958 N/A PHE 176.A N ASP 113.A OD2 no hydrogen 2.796 N/A ASN 177.A ND2 THR 170.A O no hydrogen 3.268 N/A LEU 178.A N THR 170.A O no hydrogen 2.925 N/A ARG 180.A NH1 GLY 219.A O no hydrogen 2.923 N/A ARG 180.A NH2 VAL 218.A O no hydrogen 2.852 N/A GLN 182.A NE2 ASP 186.A OD1 no hydrogen 2.822 N/A LEU 185.A N GLY 181.A O no hydrogen 2.950 N/A ASP 186.A N GLN 182.A O no hydrogen 2.858 N/A TRP 188.A N LEU 184.A O no hydrogen 2.943 N/A ASN 189.A N LEU 185.A O no hydrogen 2.791 N/A LEU 190.A N LYS 187.A O no hydrogen 3.074 N/A ILE 191.A N TRP 188.A O no hydrogen 3.022 N/A GLU 193.A N GLU 193.A OE1 no hydrogen 2.779 N/A THR 195.A N PRO 192.A O no hydrogen 3.221 N/A THR 195.A OG1 PRO 192.A O no hydrogen 2.739 N/A ASP 196.A N ARG 163.A O no hydrogen 2.811 N/A ILE 197.A N ARG 163.A O no hydrogen 3.052 N/A LEU 198.A N LEU 235.A O no hydrogen 2.879 N/A MET 199.A N TYR 165.A O no hydrogen 2.800 N/A THR 200.A N VAL 237.A O no hydrogen 3.081 N/A THR 200.A OG1 GLY 202.A O no hydrogen 2.757 N/A THR 200.A OG1 HIS 236.A NE2 no hydrogen 2.812 N/A HIS 201.A ND1 THR 74.A O no hydrogen 2.737 N/A LEU 205.A N CYS 220.A O no hydrogen 2.982 N/A GLY 206.A N ASP 209.A OD2 no hydrogen 2.944 N/A PHE 207.A N PRO 204.A O no hydrogen 3.399 N/A ARG 208.A NE GLY 244.A O no hydrogen 2.720 N/A ARG 208.A NH2 GLY 244.A O no hydrogen 3.265 N/A ARG 208.A NH2 TYR 245.A O no hydrogen 2.975 N/A VAL 211.A N GLN 216.A O no hydrogen 2.928 N/A LYS 213.A NZ GLU 214.A OE2 no hydrogen 2.999 N/A GLU 214.A N VAL 211.A O no hydrogen 3.030 N/A LEU 215.A N PRO 212.A O no hydrogen 3.139 N/A ARG 217.A N THR 13.A OG1 no hydrogen 2.949 N/A ARG 217.A NH1 ASP 209.A OD1 no hydrogen 2.774 N/A VAL 218.A N ASP 209.A O no hydrogen 3.026 N/A GLY 219.A N ASP 209.A OD2 no hydrogen 2.815 N/A CYS 220.A N PRO 203.A O no hydrogen 3.185 N/A LEU 224.A N CYS 220.A O no hydrogen 3.147 N/A ASN 225.A N VAL 221.A O no hydrogen 2.997 N/A ASN 225.A ND2 ASP 6.A OD2 no hydrogen 2.992 N/A THR 226.A N GLU 222.A O no hydrogen 2.938 N/A THR 226.A OG1 GLU 222.A O no hydrogen 2.858 N/A VAL 227.A N LEU 223.A O no hydrogen 2.861 N/A GLN 228.A N LEU 224.A O no hydrogen 2.941 N/A GLN 228.A NE2 ASP 250.A OD2 no hydrogen 2.906 N/A ARG 229.A N ASN 225.A O no hydrogen 2.931 N/A ARG 229.A NH2 TYR 19.A OH no hydrogen 3.333 N/A ARG 230.A N THR 226.A O no hydrogen 3.053 N/A ARG 230.A NH1 ILE 191.A O no hydrogen 2.959 N/A ARG 230.A NH1 GLU 193.A OE2 no hydrogen 2.942 N/A ARG 230.A NH2 ILE 191.A O no hydrogen 2.851 N/A VAL 231.A N THR 226.A O no hydrogen 2.891 N/A ARG 232.A N VAL 227.A O no hydrogen 2.779 N/A LYS 234.A N ASP 196.A O no hydrogen 2.865 N/A LEU 235.A N ASP 196.A O no hydrogen 3.186 N/A HIS 236.A N THR 254.A O no hydrogen 2.828 N/A HIS 236.A NE2 THR 200.A OG1 no hydrogen 2.812 N/A VAL 237.A N LEU 198.A O no hydrogen 2.877 N/A PHE 238.A N ILE 256.A O no hydrogen 2.915 N/A GLY 239.A N HIS 201.A O no hydrogen 2.875 N/A GLY 240.A N ASP 55.A OD2 no hydrogen 3.109 N/A ILE 241.A N GLY 239.A O no hydrogen 2.869 N/A HIS 242.A NE2 ASP 55.A OD1 no hydrogen 2.720 N/A GLU 243.A N GLU 243.A OE1 no hydrogen 2.762 N/A GLY 244.A N ILE 241.A O no hydrogen 2.961 N/A TYR 245.A N HIS 242.A O no hydrogen 3.169 N/A TYR 245.A OH PRO 270.A O no hydrogen 2.570 N/A GLY 246.A N ASN 257.A O no hydrogen 2.925 N/A MET 248.A N TYR 255.A O no hydrogen 2.909 N/A THR 249.A N HIS 32.A O no hydrogen 2.955 N/A THR 249.A OG1 THR 253.A O no hydrogen 3.195 N/A ASP 250.A N THR 253.A O no hydrogen 3.150 N/A GLY 251.A N THR 249.A OG1 no hydrogen 2.937 N/A TYR 252.A N ASP 250.A OD1 no hydrogen 2.853 N/A THR 253.A N ASP 250.A OD1 no hydrogen 2.827 N/A THR 253.A OG1 PRO 233.A O no hydrogen 2.724 N/A THR 254.A N LYS 234.A O no hydrogen 2.929 N/A TYR 255.A N MET 248.A O no hydrogen 2.797 N/A TYR 255.A OH ASP 250.A OD2 no hydrogen 2.796 N/A ILE 256.A N HIS 236.A O no hydrogen 2.886 N/A ASN 257.A N GLY 246.A O no hydrogen 2.845 N/A ASN 257.A ND2 ARG 208.A O no hydrogen 3.157 N/A ASN 257.A ND2 ILE 241.A O no hydrogen 2.877 N/A ALA 258.A N PHE 238.A O no hydrogen 2.802 N/A SER 259.A N ASN 257.A OD1 no hydrogen 3.159 N/A SER 259.A OG ASN 257.A OD1 no hydrogen 2.830 N/A THR 260.A N SER 54.A O no hydrogen 2.769 N/A THR 260.A OG1 SER 54.A O no hydrogen 3.043 N/A THR 260.A OG1 ALA 258.A O no hydrogen 3.526 N/A CYS 261.A SG ASP 55.A O no hydrogen 3.035 N/A CYS 261.A SG THR 56.A O no hydrogen 3.837 N/A THR 262.A N GLN 266.A O no hydrogen 3.089 N/A THR 262.A OG1 SER 264.A OG no hydrogen 2.758 N/A THR 262.A OG1 GLN 266.A O no hydrogen 3.403 N/A SER 264.A N THR 262.A OG1 no hydrogen 3.132 N/A SER 264.A OG THR 262.A OG1 no hydrogen 2.758 N/A PHE 265.A N THR 262.A O no hydrogen 2.957 N/A THR 268.A N GLN 266.A O no hydrogen 2.892 N/A ASN 269.A N THR 260.A O no hydrogen 3.026 N/A ASN 269.A ND2 SER 259.A O no hydrogen 2.893 N/A ILE 272.A N CYS 52.A O no hydrogen 3.052 N/A PHE 274.A N PHE 50.A O no hydrogen 2.894 N/A LEU 276.A N THR 48.A O no hydrogen 2.963 N/A ASN 278.A N GLY 46.A O no hydrogen 2.826 N/A