Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rgi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLY 257.A O no hydrogen 3.470 N/A LYS 2.A N ASP 80.A OD2 no hydrogen 2.865 N/A LYS 2.A NZ TYR 4.A OH no hydrogen 3.349 N/A LYS 2.A NZ ALA 77.A O no hydrogen 2.775 N/A ALA 3.A N GLU 260.A O no hydrogen 2.915 N/A TYR 4.A N PHE 81.A O no hydrogen 3.124 N/A MET 5.A N VAL 262.A O no hydrogen 2.902 N/A PHE 6.A N ALA 83.A O no hydrogen 2.903 N/A GLN 9.A NE2 THR 57.A OG1 no hydrogen 3.136 N/A GLY 10.A N GLN 12.A OE1 no hydrogen 2.797 N/A SER 11.A N GLY 8.A O no hydrogen 3.031 N/A SER 11.A OG GLY 8.A O no hydrogen 2.683 N/A GLN 12.A N GLN 12.A OE1 no hydrogen 2.837 N/A GLY 15.A N CYS 43.A O no hydrogen 2.785 N/A MET 16.A N ALA 13.A O no hydrogen 2.973 N/A LEU 20.A N GLY 17.A O no hydrogen 2.907 N/A PHE 24.A N LEU 20.A O no hydrogen 3.099 N/A THR 28.A N PHE 24.A O no hydrogen 3.038 N/A THR 28.A OG1 PHE 21.A O no hydrogen 3.475 N/A THR 28.A OG1 PHE 24.A O no hydrogen 2.911 N/A ALA 29.A N PRO 25.A O no hydrogen 3.031 N/A ARG 30.A N ALA 26.A O no hydrogen 2.906 N/A ALA 31.A N LEU 27.A O no hydrogen 2.873 N/A ASP 32.A N THR 28.A O no hydrogen 3.006 N/A GLY 33.A N ALA 29.A O no hydrogen 3.039 N/A VAL 34.A N ARG 30.A O no hydrogen 3.052 N/A LEU 35.A N ALA 31.A O no hydrogen 2.929 N/A GLY 36.A N ASP 32.A O no hydrogen 2.858 N/A ILE 39.A N ASP 32.A OD1 no hydrogen 2.898 N/A ARG 40.A NH1 ASP 22.A OD1 no hydrogen 3.322 N/A ARG 40.A NH1 ASP 22.A OD2 no hydrogen 3.062 N/A ARG 40.A NH2 ASP 22.A OD1 no hydrogen 2.859 N/A ALA 41.A N SER 38.A OG no hydrogen 3.121 N/A LEU 42.A N SER 38.A O no hydrogen 3.130 N/A CYS 43.A N ILE 39.A O no hydrogen 3.072 N/A CYS 43.A SG ILE 39.A O no hydrogen 3.478 N/A GLN 44.A N ARG 40.A O no hydrogen 2.817 N/A ASP 45.A N ALA 41.A O no hydrogen 2.922 N/A ASP 46.A N ALA 41.A O no hydrogen 2.989 N/A GLN 49.A N ASP 46.A O no hydrogen 3.101 N/A GLN 49.A NE2 PRO 47.A O no hydrogen 2.936 N/A ARG 50.A N ASP 46.A OD1 no hydrogen 2.877 N/A LEU 51.A N ASP 46.A OD1 no hydrogen 3.018 N/A GLN 53.A N ARG 50.A O no hydrogen 2.924 N/A THR 54.A OG1 GLN 9.A OE1 no hydrogen 2.845 N/A PHE 56.A N GLN 53.A O no hydrogen 2.780 N/A THR 57.A N GLN 53.A O no hydrogen 2.888 N/A THR 57.A OG1 LEU 51.A O no hydrogen 2.697 N/A GLN 58.A N THR 54.A O no hydrogen 3.080 N/A GLN 58.A NE2 THR 54.A OG1 no hydrogen 2.901 N/A ALA 60.A N PHE 56.A O no hydrogen 3.136 N/A LEU 61.A N THR 57.A O no hydrogen 2.935 N/A TYR 62.A N GLN 58.A O no hydrogen 2.965 N/A TYR 62.A OH PHE 101.A O no hydrogen 2.820 N/A VAL 63.A N PRO 59.A O no hydrogen 2.939 N/A VAL 64.A N ALA 60.A O no hydrogen 2.967 N/A ASN 65.A N LEU 61.A O no hydrogen 2.812 N/A ASN 65.A ND2 PRO 7.A O no hydrogen 3.007 N/A ASN 65.A ND2 SER 91.A OG no hydrogen 3.059 N/A ALA 66.A N TYR 62.A O no hydrogen 2.913 N/A LEU 67.A N VAL 63.A O no hydrogen 2.919 N/A SER 68.A N VAL 64.A O no hydrogen 2.890 N/A SER 68.A OG VAL 64.A O no hydrogen 2.673 N/A TYR 69.A N ASN 65.A O no hydrogen 2.972 N/A LEU 70.A N ALA 66.A O no hydrogen 2.955 N/A LYS 71.A N LEU 67.A O no hydrogen 2.999 N/A LYS 71.A NZ GLU 75.A OE1 no hydrogen 3.363 N/A LYS 71.A NZ GLU 75.A OE2 no hydrogen 2.807 N/A ARG 72.A N SER 68.A O no hydrogen 3.064 N/A ARG 72.A NH1 GLU 76.A OE1 no hydrogen 2.911 N/A ARG 72.A NH2 GLU 263.A O no hydrogen 3.146 N/A ARG 73.A N TYR 69.A O no hydrogen 2.819 N/A GLU 74.A N LEU 70.A O no hydrogen 3.129 N/A GLU 75.A N ARG 72.A O no hydrogen 3.162 N/A GLU 76.A N ARG 72.A O no hydrogen 2.884 N/A ASP 80.A N LYS 2.A O no hydrogen 2.800 N/A PHE 81.A N LYS 2.A O no hydrogen 3.247 N/A LEU 82.A N PRO 217.A O no hydrogen 2.891 N/A ALA 83.A N TYR 4.A O no hydrogen 2.981 N/A HIS 85.A N PHE 6.A O no hydrogen 2.919 N/A HIS 85.A NE2 ASN 152.A OD1 no hydrogen 2.820 N/A SER 86.A N ASN 221.A OD1 no hydrogen 2.786 N/A SER 86.A OG HIS 191.A NE2 no hydrogen 2.730 N/A GLY 88.A N HIS 85.A O no hydrogen 2.953 N/A GLU 89.A N SER 86.A O no hydrogen 3.038 N/A PHE 90.A N LEU 87.A O no hydrogen 2.933 N/A ALA 92.A N GLY 88.A O no hydrogen 3.010 N/A LEU 93.A N GLU 89.A O no hydrogen 2.972 N/A PHE 94.A N PHE 90.A O no hydrogen 2.973 N/A ALA 95.A N SER 91.A O no hydrogen 2.988 N/A ALA 96.A N ALA 92.A O no hydrogen 2.922 N/A GLY 97.A N PHE 94.A O no hydrogen 3.002 N/A VAL 98.A N LEU 93.A O no hydrogen 2.998 N/A GLU 102.A N GLU 102.A OE1 no hydrogen 2.798 N/A THR 103.A N ASP 100.A OD1 no hydrogen 3.010 N/A THR 103.A OG1 ASP 100.A OD1 no hydrogen 2.760 N/A GLY 104.A N ASP 100.A O no hydrogen 3.055 N/A LEU 105.A N PHE 101.A O no hydrogen 3.030 N/A ALA 106.A N GLU 102.A O no hydrogen 3.000 N/A LEU 107.A N THR 103.A O no hydrogen 3.036 N/A VAL 108.A N GLY 104.A O no hydrogen 2.926 N/A LYS 109.A N LEU 105.A O no hydrogen 2.881 N/A LYS 109.A NZ VAL 34.A O no hydrogen 2.802 N/A LYS 110.A N ALA 106.A O no hydrogen 3.211 N/A ARG 111.A N LEU 107.A O no hydrogen 2.953 N/A ARG 111.A NH1 GLN 58.A OE1 no hydrogen 2.850 N/A ARG 111.A NH2 SER 86.A OG no hydrogen 2.900 N/A ARG 111.A NH2 GLN 239.A OE1 no hydrogen 2.804 N/A GLY 112.A N VAL 108.A O no hydrogen 2.834 N/A GLU 113.A N LYS 109.A O no hydrogen 3.019 N/A LEU 114.A N LYS 110.A O no hydrogen 2.902 N/A MET 115.A N ARG 111.A O no hydrogen 2.946 N/A GLY 116.A N GLY 112.A O no hydrogen 2.774 N/A ASP 117.A N GLU 113.A O no hydrogen 2.962 N/A ALA 118.A N LEU 114.A O no hydrogen 3.223 N/A ALA 118.A N MET 115.A O no hydrogen 3.314 N/A GLY 122.A N GLY 161.A O no hydrogen 2.814 N/A ALA 124.A N ILE 159.A O no hydrogen 2.950 N/A ALA 125.A N THR 182.A O no hydrogen 2.872 N/A VAL 126.A N VAL 157.A O no hydrogen 2.845 N/A ILE 127.A N LYS 180.A O no hydrogen 2.918 N/A GLY 128.A N SER 155.A O no hydrogen 2.761 N/A ARG 133.A N ASP 130.A OD1 no hydrogen 2.899 N/A ARG 133.A NH1 GLU 136.A OE1 no hydrogen 3.078 N/A VAL 134.A N ASP 130.A O no hydrogen 2.926 N/A ARG 135.A N GLU 131.A O no hydrogen 2.907 N/A ARG 135.A NE GLU 131.A OE2 no hydrogen 2.846 N/A ARG 135.A NH2 GLU 131.A OE2 no hydrogen 2.748 N/A GLU 136.A N GLU 132.A O no hydrogen 2.941 N/A LEU 137.A N ARG 133.A O no hydrogen 2.987 N/A LEU 138.A N VAL 134.A O no hydrogen 3.002 N/A ASP 139.A N ARG 135.A O no hydrogen 3.033 N/A GLN 140.A N GLU 136.A O no hydrogen 2.859 N/A ASN 141.A N LEU 137.A O no hydrogen 3.110 N/A ASN 141.A ND2 LEU 137.A O no hydrogen 2.938 N/A GLY 142.A N ASP 139.A O no hydrogen 3.122 N/A ALA 143.A N LEU 138.A O no hydrogen 3.028 N/A ALA 145.A N GLU 165.A OE1 no hydrogen 2.843 N/A ASP 147.A N SER 160.A O no hydrogen 2.806 N/A ALA 149.A N VAL 158.A O no hydrogen 2.821 N/A ASN 150.A N VAL 158.A O no hydrogen 3.109 N/A ASN 150.A ND2 ALA 149.A O no hydrogen 2.944 N/A LEU 151.A N VAL 244.A O no hydrogen 2.920 N/A ASN 152.A N GLN 156.A O no hydrogen 2.962 N/A ASN 152.A ND2 ASN 150.A OD1 no hydrogen 3.088 N/A SER 153.A N GLN 156.A O no hydrogen 3.207 N/A SER 153.A OG GLN 156.A OE1 no hydrogen 2.524 N/A SER 155.A N SER 153.A OG no hydrogen 3.245 N/A GLN 156.A N SER 153.A O no hydrogen 3.141 N/A VAL 157.A N VAL 126.A O no hydrogen 3.120 N/A VAL 158.A N ASN 150.A O no hydrogen 2.967 N/A ILE 159.A N ALA 124.A O no hydrogen 2.922 N/A SER 160.A N ASP 147.A O no hydrogen 2.886 N/A SER 160.A OG PHE 190.A O no hydrogen 2.710 N/A GLY 161.A N GLY 122.A O no hydrogen 2.935 N/A ALA 162.A N ALA 145.A O no hydrogen 3.080 N/A ILE 166.A N ALA 162.A O no hydrogen 2.912 N/A ALA 167.A N LYS 163.A O no hydrogen 2.890 N/A ARG 168.A N ASP 164.A O no hydrogen 2.932 N/A ARG 168.A NH1 ASN 141.A O no hydrogen 2.872 N/A ARG 168.A NH2 ASN 141.A O no hydrogen 3.080 N/A ARG 168.A NH2 GLY 142.A O no hydrogen 3.270 N/A LEU 169.A N GLU 165.A O no hydrogen 2.994 N/A GLN 170.A N ALA 167.A O no hydrogen 3.404 N/A GLN 170.A NE2 GLU 174.A OE2 no hydrogen 2.903 N/A PHE 173.A N LEU 169.A O no hydrogen 3.025 N/A GLU 174.A N GLN 170.A O no hydrogen 2.901 N/A ALA 175.A N VAL 171.A O no hydrogen 2.880 N/A ALA 176.A N PRO 172.A O no hydrogen 3.058 N/A ALA 176.A N PHE 173.A O no hydrogen 3.245 N/A GLY 177.A N GLU 174.A O no hydrogen 3.025 N/A ALA 178.A N PHE 173.A O no hydrogen 3.019 N/A LYS 179.A N ILE 127.A O no hydrogen 2.738 N/A LYS 180.A N ILE 127.A O no hydrogen 3.381 N/A TYR 181.A OH ILE 166.A O no hydrogen 2.682 N/A THR 182.A N ALA 125.A O no hydrogen 2.870 N/A LEU 184.A N MET 123.A O no hydrogen 2.911 N/A ALA 189.A N GLY 120.A O no hydrogen 2.986 N/A PHE 190.A N ALA 188.A O no hydrogen 3.084 N/A HIS 191.A ND1 SER 242.A O no hydrogen 3.001 N/A HIS 191.A NE2 SER 86.A OG no hydrogen 2.730 N/A SER 192.A OG ALA 189.A O no hydrogen 2.706 N/A ARG 193.A N ASP 147.A OD2 no hydrogen 2.940 N/A ARG 193.A NE ASP 147.A OD2 no hydrogen 2.974 N/A ARG 193.A NH1 THR 144.A O no hydrogen 3.016 N/A ARG 193.A NH2 THR 144.A O no hydrogen 3.181 N/A ARG 193.A NH2 ASP 147.A OD1 no hydrogen 2.899 N/A PHE 194.A N SER 192.A OG no hydrogen 3.032 N/A MET 195.A N SER 192.A O no hydrogen 2.999 N/A ARG 196.A N ARG 193.A O no hydrogen 3.138 N/A MET 199.A N MET 195.A O no hydrogen 2.871 N/A VAL 200.A N ARG 196.A O no hydrogen 3.097 N/A GLU 201.A N PRO 197.A O no hydrogen 3.215 N/A PHE 202.A N ALA 198.A O no hydrogen 2.852 N/A GLY 203.A N MET 199.A O no hydrogen 2.875 N/A ARG 204.A N VAL 200.A O no hydrogen 3.071 N/A PHE 205.A N GLU 201.A O no hydrogen 3.119 N/A LEU 206.A N PHE 202.A O no hydrogen 2.917 N/A GLU 207.A N GLY 203.A O no hydrogen 3.151 N/A GLY 208.A N PHE 205.A O no hydrogen 3.179 N/A TYR 209.A N LEU 206.A O no hydrogen 3.059 N/A ALA 212.A N VAL 98.A O no hydrogen 3.010 N/A LYS 215.A N ALA 96.A O no hydrogen 2.831 N/A LYS 215.A NZ GLY 97.A O no hydrogen 3.390 N/A ILE 219.A N LEU 82.A O no hydrogen 2.966 N/A SER 220.A N ARG 225.A O no hydrogen 2.897 N/A ASN 221.A N GLU 89.A OE1 no hydrogen 2.886 N/A ASN 221.A ND2 GLY 84.A O no hydrogen 2.842 N/A VAL 222.A N SER 220.A OG no hydrogen 3.039 N/A THR 223.A N SER 220.A OG no hydrogen 3.423 N/A THR 223.A OG1 ARG 225.A O no hydrogen 3.369 N/A ALA 224.A N SER 220.A O no hydrogen 2.800 N/A ARG 225.A N THR 223.A OG1 no hydrogen 3.209 N/A ARG 225.A NH1 ALA 224.A O no hydrogen 2.903 N/A CYS 227.A N VAL 218.A O no hydrogen 2.794 N/A CYS 227.A SG VAL 218.A O no hydrogen 3.412 N/A GLY 231.A N LYS 228.A O no hydrogen 2.948 N/A ILE 232.A N ALA 229.A O no hydrogen 3.290 N/A ARG 233.A NE LEU 206.A O no hydrogen 3.171 N/A ARG 233.A NE TYR 209.A O no hydrogen 3.075 N/A ARG 233.A NH2 TYR 209.A O no hydrogen 2.788 N/A ALA 235.A N GLY 231.A O no hydrogen 3.121 N/A LEU 236.A N ILE 232.A O no hydrogen 3.074 N/A SER 237.A OG ALA 234.A O no hydrogen 3.277 N/A GLU 238.A N ALA 234.A O no hydrogen 3.223 N/A GLN 239.A N ALA 235.A O no hydrogen 2.849 N/A GLN 239.A NE2 SER 86.A O no hydrogen 3.155 N/A GLN 239.A NE2 GLU 89.A OE1 no hydrogen 3.530 N/A ILE 240.A N SER 237.A O no hydrogen 3.183 N/A ALA 241.A N GLU 238.A O no hydrogen 3.126 N/A SER 242.A N GLN 239.A O no hydrogen 3.306 N/A SER 242.A OG GLU 238.A O no hydrogen 2.900 N/A VAL 244.A N ALA 149.A O no hydrogen 2.851 N/A ARG 245.A N ASN 221.A O no hydrogen 3.015 N/A ARG 245.A NE.A GLU 248.A OE1 no hydrogen 3.410 N/A ARG 245.A NE.A GLU 248.A OE2 no hydrogen 2.997 N/A ARG 245.A NH1.A VAL 222.A O no hydrogen 3.071 N/A ARG 245.A NH1.B GLU 248.A OE2 no hydrogen 2.902 N/A ARG 245.A NH2.A GLU 248.A OE1 no hydrogen 2.700 N/A CYS 247.A N LEU 151.A O no hydrogen 2.916 N/A SER 249.A N ARG 245.A O no hydrogen 3.152 N/A SER 249.A OG ARG 245.A O no hydrogen 2.754 N/A ILE 250.A N TRP 246.A O no hydrogen 2.971 N/A ARG 251.A N CYS 247.A O no hydrogen 2.968 N/A TYR 252.A N GLU 248.A O no hydrogen 2.883 N/A LEU 253.A N SER 249.A O no hydrogen 3.108 N/A MET 254.A N ILE 250.A O no hydrogen 2.902 N/A GLY 255.A N ARG 251.A O no hydrogen 2.979 N/A ARG 256.A N TYR 252.A O no hydrogen 3.012 N/A ARG 256.A NH1 TYR 252.A OH no hydrogen 2.896 N/A GLY 257.A N MET 254.A O no hydrogen 3.017 N/A VAL 258.A N LEU 253.A O no hydrogen 3.104 N/A GLU 259.A N MET 1.A O no hydrogen 3.008 N/A GLU 260.A N MET 1.A O no hydrogen 3.154 N/A VAL 262.A N ALA 3.A O no hydrogen 2.972 N/A CYS 264.A N MET 5.A O no hydrogen 2.863 N/A LEU 270.A N GLU 263.A OE2 no hydrogen 2.931 N/A THR 271.A N GLU 263.A OE1 no hydrogen 2.800 N/A THR 271.A OG1 GLU 263.A OE1 no hydrogen 2.653 N/A GLY 272.A N ILE 268.A O no hydrogen 3.042 N/A LEU 273.A N VAL 269.A O no hydrogen 3.247 N/A TYR 274.A N LEU 270.A O no hydrogen 2.902 N/A ALA 275.A N THR 271.A O no hydrogen 3.113 N/A GLN 276.A N GLY 272.A O no hydrogen 3.409 N/A ILE 277.A N LEU 273.A O no hydrogen 2.951 N/A ARG 278.A N TYR 274.A O no hydrogen 2.817 N/A ARG 279.A N ALA 275.A O no hydrogen 3.198 N/A ASP 280.A N GLN 276.A O no hydrogen 3.339 N/A ALA 281.A N ILE 277.A O no hydrogen 3.051 N/A