Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3b1r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A N ASP 62.A O no hydrogen 3.132 N/A THR 2.A OG1 ASP 62.A O no hydrogen 3.461 N/A LEU 3.A N LEU 137.A O no hydrogen 2.938 N/A ILE 4.A N ARG 64.A O no hydrogen 2.747 N/A CYS 5.A N ILE 139.A O no hydrogen 2.890 N/A GLY 6.A N MET 66.A O no hydrogen 3.341 N/A SER 7.A N PRO 142.A O no hydrogen 2.861 N/A ALA 9.A N GLY 46.A O no hydrogen 3.249 N/A TYR 10.A N ALA 100.A O no hydrogen 2.893 N/A TYR 10.A OH ASP 73.A O no hydrogen 2.369 N/A ASP 11.A N GLU 44.A O no hydrogen 3.055 N/A ASN 12.A N ALA 102.A O no hydrogen 2.941 N/A ASN 12.A ND2 ALA 102.A O no hydrogen 3.574 N/A MET 14.A N ILE 104.A O no hydrogen 2.723 N/A THR 15.A OG1 GLN 286.A OE1 no hydrogen 3.456 N/A PHE 16.A N THR 106.A O no hydrogen 2.854 N/A ARG 19.A NH1 ASP 109.A OD1 no hydrogen 2.785 N/A PHE 20.A N ASP 107.A OD1 no hydrogen 2.601 N/A GLU 22.A N ARG 19.A O no hydrogen 2.950 N/A HIS 23.A N PHE 20.A O no hydrogen 2.953 N/A HIS 23.A ND1 ARG 19.A O no hydrogen 3.088 N/A LEU 25.A N LEU 31.A O no hydrogen 2.679 N/A GLN 28.A N LEU 25.A O no hydrogen 3.052 N/A ARG 43.A NE ASN 12.A OD1 no hydrogen 3.419 N/A ARG 43.A NH1 GLN 101.A OE1 no hydrogen 3.461 N/A GLU 44.A N ASP 11.A O no hydrogen 2.652 N/A GLY 46.A N ALA 9.A O no hydrogen 3.046 N/A CYS 48.A N SER 7.A OG no hydrogen 2.834 N/A CYS 48.A SG SER 7.A OG no hydrogen 3.550 N/A CYS 48.A SG GLN 168.A OE1 no hydrogen 4.003 N/A ALA 49.A N SER 7.A O no hydrogen 2.871 N/A ASN 51.A N GLY 47.A O no hydrogen 2.813 N/A ASN 51.A ND2 ASP 252.A OD2 no hydrogen 2.947 N/A ILE 52.A N CYS 48.A O no hydrogen 3.017 N/A ALA 53.A N ALA 49.A O no hydrogen 2.995 N/A TYR 54.A N GLY 50.A O no hydrogen 3.153 N/A TYR 54.A OH TYR 291.A O no hydrogen 3.015 N/A ALA 55.A N ASN 51.A O no hydrogen 3.123 N/A LEU 56.A N ILE 52.A O no hydrogen 2.964 N/A ASN 57.A N ALA 53.A O no hydrogen 2.813 N/A ASN 57.A ND2 LEU 84.A O no hydrogen 3.512 N/A LEU 58.A N TYR 54.A O no hydrogen 2.839 N/A LEU 59.A N ALA 55.A O no hydrogen 3.246 N/A LEU 59.A N LEU 56.A O no hydrogen 3.074 N/A GLY 60.A N ASN 57.A O no hydrogen 3.045 N/A GLY 61.A N LEU 56.A O no hydrogen 3.025 N/A ARG 64.A N THR 2.A O no hydrogen 2.851 N/A ARG 64.A NE ASP 62.A OD1 no hydrogen 3.085 N/A ARG 64.A NH2 ASP 62.A OD2 no hydrogen 3.005 N/A MET 66.A N ILE 4.A O no hydrogen 2.694 N/A GLY 67.A N TYR 90.A O no hydrogen 3.255 N/A THR 68.A OG1 ALA 120.A O no hydrogen 2.975 N/A LEU 69.A N ARG 92.A O no hydrogen 2.785 N/A GLY 70.A N SER 99.A OG no hydrogen 2.817 N/A ALA 71.A N LEU 94.A O no hydrogen 2.816 N/A ASP 73.A N GLY 70.A O no hydrogen 3.338 N/A GLN 75.A NE2 ASP 79.A OD1 no hydrogen 3.029 N/A TYR 77.A N ALA 74.A O no hydrogen 2.796 N/A TYR 77.A OH GLY 46.A O no hydrogen 2.765 N/A LEU 78.A N ALA 74.A O no hydrogen 3.104 N/A ASP 79.A N GLN 75.A O no hydrogen 2.828 N/A ARG 80.A N PRO 76.A O no hydrogen 3.336 N/A ARG 80.A NE GLN 289.A OE1 no hydrogen 3.246 N/A ARG 80.A NH2 GLN 289.A O no hydrogen 3.398 N/A ARG 80.A NH2 GLN 289.A OE1 no hydrogen 3.005 N/A MET 81.A N TYR 77.A O no hydrogen 3.011 N/A ASP 82.A N LEU 78.A O no hydrogen 2.881 N/A ALA 83.A N ASP 79.A O no hydrogen 2.804 N/A LEU 84.A N ARG 80.A O no hydrogen 2.863 N/A GLY 85.A N ASP 82.A O no hydrogen 3.216 N/A LEU 86.A N MET 81.A O no hydrogen 2.936 N/A ARG 88.A NE ASP 82.A OD2 no hydrogen 3.335 N/A GLU 89.A N SER 87.A OG no hydrogen 3.284 N/A ARG 92.A N GLY 67.A O no hydrogen 2.973 N/A LEU 94.A N LEU 69.A O no hydrogen 2.961 N/A THR 97.A OG1 LEU 94.A O no hydrogen 3.405 N/A SER 99.A N ASP 73.A OD1 no hydrogen 3.143 N/A SER 99.A OG GLY 70.A O no hydrogen 3.151 N/A SER 99.A OG ASP 73.A OD1 no hydrogen 2.822 N/A GLN 101.A N HIS 117.A O no hydrogen 3.073 N/A ALA 102.A N TYR 10.A O no hydrogen 2.816 N/A MET 103.A N ALA 115.A O no hydrogen 2.809 N/A ILE 104.A N ASN 12.A O no hydrogen 2.929 N/A THR 105.A N ILE 113.A O no hydrogen 3.119 N/A THR 105.A OG1 ILE 113.A O no hydrogen 3.252 N/A THR 106.A N MET 14.A O no hydrogen 2.887 N/A THR 106.A OG1 ASP 107.A O no hydrogen 3.158 N/A LEU 108.A N GLY 18.A O no hydrogen 2.933 N/A ASP 109.A N ASP 107.A OD2 no hydrogen 2.834 N/A ASN 110.A N ASP 107.A O no hydrogen 3.238 N/A ASN 111.A N ASP 107.A OD2 no hydrogen 3.111 N/A ASN 111.A ND2 ASP 107.A OD1 no hydrogen 3.379 N/A GLN 112.A N ASN 110.A O no hydrogen 2.897 N/A GLN 112.A NE2 ASN 110.A OD1 no hydrogen 2.916 N/A ILE 113.A N THR 105.A O no hydrogen 2.924 N/A ALA 115.A N MET 103.A O no hydrogen 2.910 N/A HIS 117.A N GLN 101.A O no hydrogen 2.900 N/A ALA 120.A N TYR 98.A O no hydrogen 2.587 N/A MET 121.A N PRO 118.A O no hydrogen 2.974 N/A MET 122.A N GLY 119.A O no hydrogen 3.161 N/A GLN 123.A N ALA 120.A O no hydrogen 2.980 N/A SER 124.A N MET 121.A O no hydrogen 3.171 N/A VAL 126.A N GLN 123.A O no hydrogen 2.988 N/A ASN 127.A N SER 124.A O no hydrogen 3.359 N/A HIS 128.A ND1 GLU 154.A OE2 no hydrogen 2.585 N/A GLY 130.A N GLU 154.A OE1 no hydrogen 2.797 N/A GLU 131.A N HIS 128.A O no hydrogen 3.035 N/A ALA 132.A N ALA 129.A O no hydrogen 3.127 N/A LYS 133.A N TYR 90.A OH no hydrogen 2.938 N/A LYS 136.A N ALA 1.A O no hydrogen 2.884 N/A ALA 138.A N PRO 161.A O no hydrogen 3.107 N/A ILE 139.A N LEU 3.A O no hydrogen 2.923 N/A VAL 140.A N ILE 163.A O no hydrogen 2.898 N/A GLY 141.A N CYS 5.A O no hydrogen 2.715 N/A MET 148.A N GLY 144.A O no hydrogen 2.834 N/A VAL 149.A N PHE 145.A O no hydrogen 2.940 N/A GLN 150.A N GLN 146.A O no hydrogen 3.032 N/A GLN 150.A NE2 HIS 125.A O no hydrogen 2.868 N/A HIS 151.A N GLY 147.A O no hydrogen 2.874 N/A THR 152.A N MET 148.A O no hydrogen 3.221 N/A THR 152.A OG1 MET 148.A O no hydrogen 3.392 N/A THR 152.A OG1 VAL 149.A O no hydrogen 2.582 N/A GLU 153.A N VAL 149.A O no hydrogen 3.046 N/A GLU 154.A N GLN 150.A O no hydrogen 2.855 N/A LEU 155.A N HIS 151.A O no hydrogen 3.075 N/A ALA 156.A N THR 152.A O no hydrogen 3.086 N/A GLN 157.A N GLU 153.A O no hydrogen 2.976 N/A ALA 158.A N GLU 154.A O no hydrogen 2.957 N/A GLY 159.A N ALA 156.A O no hydrogen 2.933 N/A VAL 160.A N LEU 155.A O no hydrogen 2.928 N/A ILE 163.A N ALA 138.A O no hydrogen 3.007 N/A PHE 164.A N TYR 187.A O no hydrogen 2.676 N/A ASP 165.A N VAL 140.A O no hydrogen 2.766 N/A GLN 168.A N GLN 168.A OE1 no hydrogen 2.855 N/A GLY 169.A N PRO 166.A O no hydrogen 2.843 N/A LEU 170.A N GLY 167.A O no hydrogen 3.333 N/A LEU 172.A N GLY 169.A O no hydrogen 3.019 N/A PHE 173.A N LEU 170.A O no hydrogen 2.918 N/A ASP 174.A N THR 177.A OG1 no hydrogen 2.982 N/A THR 177.A N ASP 174.A OD2 no hydrogen 3.247 N/A THR 177.A OG1 ASP 174.A O no hydrogen 3.448 N/A THR 177.A OG1 ASP 174.A OD2 no hydrogen 2.583 N/A LEU 178.A N ASP 174.A O no hydrogen 2.911 N/A ARG 179.A N GLY 175.A O no hydrogen 3.099 N/A ARG 179.A NH2 THR 202.A O no hydrogen 2.931 N/A ARG 180.A N ALA 176.A O no hydrogen 3.147 N/A ARG 180.A NE GLU 153.A OE2 no hydrogen 3.061 N/A ARG 180.A NH2 GLU 153.A OE1 no hydrogen 3.217 N/A SER 181.A N THR 177.A O no hydrogen 3.257 N/A SER 181.A OG THR 177.A O no hydrogen 3.241 N/A ILE 182.A N LEU 178.A O no hydrogen 3.021 N/A GLU 183.A N ARG 179.A O no hydrogen 2.879 N/A LEU 184.A N ARG 180.A O no hydrogen 3.036 N/A ALA 185.A N ILE 182.A O no hydrogen 3.363 N/A THR 186.A N PHE 162.A O no hydrogen 2.998 N/A TYR 187.A N PHE 162.A O no hydrogen 3.022 N/A ILE 188.A N ALA 215.A O no hydrogen 2.953 N/A ALA 189.A N PHE 164.A O no hydrogen 3.247 N/A VAL 190.A N ILE 217.A O no hydrogen 2.868 N/A ASN 191.A N GLU 194.A OE1 no hydrogen 3.167 N/A GLU 194.A N ASN 191.A OD1 no hydrogen 2.882 N/A ALA 195.A N ASN 191.A O no hydrogen 2.906 N/A LYS 196.A N ASP 192.A O no hydrogen 3.268 N/A LEU 197.A N TYR 193.A O no hydrogen 3.092 N/A VAL 198.A N GLU 194.A O no hydrogen 2.796 N/A CYS 199.A N ALA 195.A O no hydrogen 2.717 N/A CYS 199.A SG ALA 195.A O no hydrogen 3.553 N/A CYS 199.A SG TRP 204.A O no hydrogen 3.879 N/A ASP 200.A N LYS 196.A O no hydrogen 2.876 N/A LYS 201.A N LEU 197.A O no hydrogen 3.045 N/A LYS 201.A NZ LEU 170.A O no hydrogen 2.829 N/A LYS 201.A NZ PHE 173.A O no hydrogen 3.102 N/A THR 202.A N VAL 198.A O no hydrogen 2.996 N/A THR 202.A OG1 VAL 198.A O no hydrogen 2.837 N/A THR 202.A OG1 CYS 199.A O no hydrogen 3.393 N/A GLY 203.A N ASP 200.A O no hydrogen 3.026 N/A TRP 204.A N THR 202.A OG1 no hydrogen 2.988 N/A SER 205.A N GLU 208.A OE1 no hydrogen 3.372 N/A GLU 208.A N SER 205.A OG no hydrogen 2.924 N/A ILE 209.A N SER 205.A O no hydrogen 2.935 N/A ALA 210.A N GLU 206.A O no hydrogen 2.873 N/A SER 211.A N ASP 207.A O no hydrogen 2.998 N/A SER 211.A OG GLU 208.A O no hydrogen 2.767 N/A ARG 212.A N ILE 209.A O no hydrogen 2.919 N/A ARG 212.A NH2 GLU 208.A O no hydrogen 2.777 N/A GLN 214.A N THR 186.A O no hydrogen 2.785 N/A LEU 216.A N ARG 228.A O no hydrogen 3.003 N/A ILE 217.A N ILE 188.A O no hydrogen 2.798 N/A ILE 218.A N THR 226.A O no hydrogen 2.955 N/A THR 219.A N VAL 190.A O no hydrogen 2.839 N/A ARG 220.A N GLY 224.A O no hydrogen 2.759 N/A HIS 223.A N ARG 220.A O no hydrogen 2.864 N/A GLY 224.A N GLY 221.A O no hydrogen 3.017 N/A ALA 225.A N ILE 236.A O no hydrogen 3.070 N/A THR 226.A N ILE 218.A O no hydrogen 2.859 N/A ILE 227.A N GLU 234.A O no hydrogen 2.892 N/A ARG 228.A N LEU 216.A O no hydrogen 2.778 N/A ARG 228.A NH1 ASP 207.A OD1 no hydrogen 2.815 N/A ARG 228.A NH2 ASP 207.A OD1 no hydrogen 3.084 N/A HIS 229.A N GLY 232.A O no hydrogen 2.678 N/A HIS 229.A ND1 ASP 231.A OD1 no hydrogen 2.991 N/A ARG 230.A NH1 GLN 214.A O no hydrogen 3.397 N/A GLU 234.A N ILE 227.A O no hydrogen 2.832 N/A ILE 236.A N ALA 225.A O no hydrogen 2.784 N/A ILE 245.A N ILE 283.A O no hydrogen 2.797 N/A ASP 246.A N ILE 283.A O no hydrogen 3.249 N/A THR 248.A N ASP 246.A OD1 no hydrogen 3.122 N/A THR 248.A OG1 ASP 246.A OD1 no hydrogen 2.895 N/A CYS 250.A N PRO 247.A O no hydrogen 2.772 N/A CYS 250.A SG PRO 247.A O no hydrogen 3.259 N/A CYS 250.A SG GLY 279.A O no hydrogen 3.392 N/A ALA 253.A N GLY 249.A O no hydrogen 2.984 N/A PHE 254.A N CYS 250.A O no hydrogen 3.084 N/A ARG 255.A N GLY 251.A O no hydrogen 3.054 N/A ARG 255.A NH1 GLY 251.A O no hydrogen 2.687 N/A ARG 255.A NH2 ALA 189.A O no hydrogen 2.810 N/A GLY 256.A N ASP 252.A O no hydrogen 2.878 N/A GLY 257.A N ALA 253.A O no hydrogen 2.957 N/A LEU 258.A N PHE 254.A O no hydrogen 2.916 N/A LEU 259.A N ARG 255.A O no hydrogen 2.982 N/A TYR 260.A N GLY 256.A O no hydrogen 3.281 N/A GLY 261.A N GLY 257.A O no hydrogen 2.817 N/A ILE 262.A N LEU 258.A O no hydrogen 2.817 N/A GLU 263.A N LEU 259.A O no hydrogen 3.131 N/A HIS 264.A N TYR 260.A O no hydrogen 3.166 N/A HIS 264.A ND1 TYR 260.A O no hydrogen 3.038 N/A GLY 265.A N ILE 262.A O no hydrogen 2.807 N/A PHE 266.A N GLY 261.A O no hydrogen 2.820 N/A THR 270.A N ASP 267.A OD2 no hydrogen 3.299 N/A THR 270.A OG1 ASP 267.A OD1 no hydrogen 2.489 N/A THR 270.A OG1 TYR 308.A OH no hydrogen 2.813 N/A ALA 271.A N ASP 267.A O no hydrogen 2.918 N/A GLY 272.A N TRP 268.A O no hydrogen 3.023 N/A ARG 273.A N ALA 269.A O no hydrogen 2.879 N/A LEU 274.A N THR 270.A O no hydrogen 2.973 N/A ALA 275.A N ALA 271.A O no hydrogen 3.052 N/A SER 276.A N GLY 272.A O no hydrogen 2.817 N/A SER 276.A OG PRO 237.A O no hydrogen 2.689 N/A LEU 277.A N ARG 273.A O no hydrogen 2.920 N/A MET 278.A N LEU 274.A O no hydrogen 3.055 N/A GLY 279.A N ALA 275.A O no hydrogen 3.096 N/A ALA 280.A N SER 276.A O no hydrogen 2.932 N/A LEU 281.A N LEU 277.A O no hydrogen 2.924 N/A LYS 282.A N MET 278.A O no hydrogen 2.954 N/A LYS 282.A NZ ASP 246.A O no hydrogen 2.692 N/A LYS 282.A NZ THR 248.A O no hydrogen 3.248 N/A LYS 282.A NZ LYS 282.A O no hydrogen 3.031 N/A LYS 282.A NZ HIS 285.A O no hydrogen 2.792 N/A LYS 282.A NZ GLY 287.A O no hydrogen 2.811 N/A ILE 283.A N GLY 279.A O no hydrogen 3.367 N/A HIS 285.A N LYS 282.A O no hydrogen 2.829 N/A GLY 287.A N ASP 246.A OD2 no hydrogen 2.721 N/A GLN 289.A NE2 ASN 51.A OD1 no hydrogen 2.954 N/A GLN 289.A NE2 TYR 77.A OH no hydrogen 3.167 N/A THR 290.A OG1 GLN 286.A O no hydrogen 2.505 N/A THR 294.A N GLU 297.A OE1 no hydrogen 3.473 N/A ARG 295.A NE LEU 59.A O no hydrogen 3.012 N/A ARG 295.A NH1 ASP 299.A OD1 no hydrogen 2.328 N/A GLU 297.A N THR 294.A OG1 no hydrogen 2.931 N/A ILE 298.A N THR 294.A O no hydrogen 2.786 N/A ASP 299.A N ARG 295.A O no hydrogen 2.766 N/A ALA 300.A N ALA 296.A O no hydrogen 2.886 N/A ARG 301.A N GLU 297.A O no hydrogen 3.041 N/A PHE 302.A N ILE 298.A O no hydrogen 3.022 N/A GLU 303.A N ASP 299.A O no hydrogen 3.059 N/A THR 304.A N ALA 300.A O no hydrogen 2.980 N/A THR 304.A OG1 ALA 300.A O no hydrogen 2.944 N/A ALA 305.A N ARG 301.A O no hydrogen 3.132 N/A PHE 306.A N PHE 302.A O no hydrogen 2.822 N/A GLY 307.A N GLU 303.A O no hydrogen 2.714 N/A TYR 308.A OH THR 270.A OG1 no hydrogen 2.813 N/A