Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8aof_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N GLN 7.A O no hydrogen 2.845 N/A GLN 7.A N VAL 4.A O no hydrogen 2.956 N/A GLN 7.A NE2 GLY 6.A O no hydrogen 3.186 N/A PHE 9.A N GLU 2.A O no hydrogen 2.854 N/A ASP 10.A N TYR 87.A OH no hydrogen 2.932 N/A ARG 14.A NE ASP 34.A OD1 no hydrogen 2.906 N/A ARG 14.A NH2 ASP 34.A OD1 no hydrogen 3.414 N/A ARG 14.A NH2 ASP 34.A OD2 no hydrogen 2.955 N/A TYR 15.A N GLY 12.A O no hydrogen 3.443 N/A TYR 15.A OH ASP 73.A OD2 no hydrogen 2.778 N/A THR 16.A N TYR 33.A O no hydrogen 3.096 N/A SER 19.A N SER 31.A O no hydrogen 3.033 N/A TYR 20.A OH GLU 23.A OE2 no hydrogen 3.111 N/A ILE 21.A N VAL 29.A O no hydrogen 3.020 N/A GLY 22.A N VAL 29.A O no hydrogen 3.253 N/A GLY 24.A N GLY 27.A O no hydrogen 2.936 N/A TYR 26.A OH ASP 151.A OD1 no hydrogen 3.403 N/A VAL 29.A N GLY 22.A O no hydrogen 3.079 N/A CYS 30.A N ILE 43.A O no hydrogen 3.001 N/A SER 31.A N SER 19.A O no hydrogen 3.028 N/A ALA 32.A N VAL 41.A O no hydrogen 2.964 N/A TYR 33.A N THR 16.A O no hydrogen 2.828 N/A ASP 34.A N VAL 39.A O no hydrogen 2.847 N/A ASN 35.A N ARG 14.A O no hydrogen 2.957 N/A ASN 35.A ND2 ARG 14.A O no hydrogen 2.943 N/A ASN 35.A ND2 THR 16.A OG1 no hydrogen 3.136 N/A VAL 36.A N ASP 34.A OD1 no hydrogen 2.928 N/A ASN 37.A N ASP 34.A OD1 no hydrogen 3.371 N/A LYS 38.A N ASP 34.A O no hydrogen 2.869 N/A ARG 40.A NH1 ASN 17.A O no hydrogen 3.190 N/A ARG 40.A NH2 ASN 17.A O no hydrogen 2.921 N/A ARG 40.A NH2 SER 31.A OG no hydrogen 3.154 N/A VAL 41.A N ALA 32.A O no hydrogen 2.817 N/A ALA 42.A N GLN 90.A O no hydrogen 2.929 N/A ILE 43.A N CYS 30.A O no hydrogen 2.841 N/A LYS 44.A N ILE 88.A O no hydrogen 3.027 N/A LYS 44.A NZ GLU 56.A OE2 no hydrogen 2.694 N/A LYS 45.A N MET 28.A O no hydrogen 2.905 N/A LYS 45.A NZ VAL 8.A O no hydrogen 2.702 N/A ILE 46.A N VAL 86.A O no hydrogen 2.854 N/A SER 47.A OG ASP 85.A OD2 no hydrogen 2.630 N/A TYR 49.A OH LYS 84.A O no hydrogen 2.623 N/A THR 53.A N CYS 50.A O no hydrogen 2.953 N/A ARG 55.A N GLN 51.A O no hydrogen 2.949 N/A GLU 56.A N ARG 52.A O no hydrogen 3.044 N/A ILE 57.A N THR 53.A O no hydrogen 3.039 N/A LYS 58.A N LEU 54.A O no hydrogen 2.961 N/A ILE 59.A N ARG 55.A O no hydrogen 3.070 N/A LEU 60.A N GLU 56.A O no hydrogen 2.913 N/A LEU 61.A N ILE 57.A O no hydrogen 2.927 N/A ARG 62.A N LYS 58.A O no hydrogen 3.161 N/A PHE 63.A N ILE 59.A O no hydrogen 2.862 N/A ARG 64.A N TYR 124.A OH no hydrogen 3.062 N/A ASN 67.A N HIS 65.A ND1 no hydrogen 2.833 N/A ASN 67.A ND2 LEU 147.A O no hydrogen 3.001 N/A ILE 68.A N HIS 65.A O no hydrogen 3.079 N/A ILE 69.A N ILE 149.A O no hydrogen 2.972 N/A ASN 72.A N VAL 89.A O no hydrogen 2.871 N/A ASN 72.A ND2 ASP 91.A OD2 no hydrogen 3.028 N/A ASP 73.A N VAL 89.A O no hydrogen 3.425 N/A ILE 75.A N TYR 87.A O no hydrogen 2.850 N/A ARG 76.A NE THR 335.A OG1 no hydrogen 2.841 N/A ARG 76.A NH1 ALA 77.A O no hydrogen 2.931 N/A ARG 76.A NH2 PHE 332.A O no hydrogen 2.854 N/A THR 79.A OG1 GLN 82.A OE1 no hydrogen 2.743 N/A GLU 81.A N GLU 81.A OE2 no hydrogen 2.863 N/A GLN 82.A N THR 79.A O no hydrogen 3.224 N/A GLN 82.A N THR 79.A OG1 no hydrogen 3.215 N/A MET 83.A N ILE 80.A O no hydrogen 3.130 N/A VAL 86.A N ILE 46.A O no hydrogen 2.904 N/A TYR 87.A N ILE 75.A O no hydrogen 2.946 N/A TYR 87.A OH VAL 8.A O no hydrogen 3.383 N/A ILE 88.A N LYS 44.A O no hydrogen 2.987 N/A VAL 89.A N ASP 73.A O no hydrogen 2.933 N/A GLN 90.A N ALA 42.A O no hydrogen 2.846 N/A GLN 90.A NE2 GLY 70.A O no hydrogen 3.206 N/A THR 95.A N LEU 142.A O no hydrogen 2.993 N/A THR 95.A OG1 ASP 96.A O no hydrogen 3.538 N/A ASP 96.A N THR 95.A OG1 no hydrogen 2.869 N/A LEU 97.A N LEU 140.A O no hydrogen 2.872 N/A LYS 99.A N ASP 96.A OD1 no hydrogen 2.870 N/A LEU 100.A N ASP 96.A O no hydrogen 3.023 N/A LEU 101.A N LEU 97.A O no hydrogen 2.912 N/A LYS 102.A N TYR 98.A O no hydrogen 3.175 N/A LYS 102.A N LYS 99.A O no hydrogen 3.209 N/A THR 103.A N LEU 100.A O no hydrogen 3.202 N/A THR 103.A OG1 LYS 99.A O no hydrogen 3.159 N/A THR 103.A OG1 LEU 100.A O no hydrogen 3.444 N/A GLN 104.A N LEU 100.A O no hydrogen 2.813 N/A SER 107.A OG HIS 110.A ND1 no hydrogen 2.705 N/A HIS 110.A N SER 107.A OG no hydrogen 3.025 N/A HIS 110.A ND1 SER 107.A OG no hydrogen 2.705 N/A ILE 111.A N SER 107.A O no hydrogen 3.026 N/A CYS 112.A N ASN 108.A O no hydrogen 2.950 N/A CYS 112.A SG TYR 296.A O no hydrogen 3.334 N/A TYR 113.A N ASP 109.A O no hydrogen 3.066 N/A TYR 113.A OH ASP 146.A OD1 no hydrogen 3.296 N/A PHE 114.A N HIS 110.A O no hydrogen 2.866 N/A LEU 115.A N ILE 111.A O no hydrogen 2.916 N/A TYR 116.A N CYS 112.A O no hydrogen 2.888 N/A TYR 116.A OH GLU 306.A OE1 no hydrogen 2.605 N/A GLN 117.A N TYR 113.A O no hydrogen 3.038 N/A GLN 117.A NE2 TYR 113.A O no hydrogen 3.525 N/A ILE 118.A N PHE 114.A O no hydrogen 2.950 N/A LEU 119.A N LEU 115.A O no hydrogen 2.953 N/A ARG 120.A N TYR 116.A O no hydrogen 2.823 N/A ARG 120.A NE ASP 305.A O no hydrogen 2.779 N/A ARG 120.A NH1 GLU 66.A OE2 no hydrogen 3.288 N/A ARG 120.A NH1 ASP 305.A O no hydrogen 2.881 N/A ARG 120.A NH1 ASP 305.A OD2 no hydrogen 3.505 N/A ARG 120.A NH2 GLU 66.A OE2 no hydrogen 2.889 N/A ARG 120.A NH2 ASN 67.A OD1 no hydrogen 2.913 N/A GLY 121.A N GLN 117.A O no hydrogen 3.028 N/A LEU 122.A N ILE 118.A O no hydrogen 2.853 N/A LYS 123.A N LEU 119.A O no hydrogen 2.777 N/A LYS 123.A NZ GLU 306.A O no hydrogen 2.833 N/A TYR 124.A N ARG 120.A O no hydrogen 3.420 N/A ILE 125.A N GLY 121.A O no hydrogen 3.055 N/A HIS 126.A N LEU 122.A O no hydrogen 2.877 N/A HIS 126.A NE2 ASP 194.A OD2 no hydrogen 2.767 N/A SER 127.A N LYS 123.A O no hydrogen 2.834 N/A SER 127.A OG TYR 124.A O no hydrogen 2.672 N/A ALA 128.A N TYR 124.A O no hydrogen 3.155 N/A ALA 128.A N ILE 125.A O no hydrogen 3.053 N/A ASN 129.A N HIS 126.A O no hydrogen 2.929 N/A VAL 130.A N ILE 125.A O no hydrogen 3.259 N/A LEU 131.A N ARG 156.A O no hydrogen 2.823 N/A HIS 132.A N ASP 194.A OD2 no hydrogen 2.997 N/A HIS 132.A NE2 CYS 150.A O no hydrogen 2.920 N/A ARG 133.A N ASP 194.A OD1 no hydrogen 2.941 N/A ARG 133.A NE LEU 154.A O no hydrogen 2.832 N/A ARG 133.A NH1 LEU 154.A O no hydrogen 3.325 N/A ASP 134.A N HIS 132.A ND1 no hydrogen 2.957 N/A LYS 136.A NZ THR 174.A OG1 no hydrogen 2.838 N/A ASN 139.A N LYS 136.A O no hydrogen 2.932 N/A ASN 139.A ND2 ASP 134.A O no hydrogen 2.916 N/A LEU 140.A N PRO 137.A O no hydrogen 3.107 N/A LEU 141.A N LYS 148.A O no hydrogen 2.842 N/A LEU 142.A N THR 95.A O no hydrogen 2.928 N/A ASN 143.A N ASP 146.A O no hydrogen 3.095 N/A ASN 143.A ND2 ASP 146.A OD2 no hydrogen 3.009 N/A THR 145.A N ASN 143.A OD1 no hydrogen 2.963 N/A THR 145.A OG1 ASN 143.A OD1 no hydrogen 2.949 N/A THR 145.A OG1 ASP 146.A OD2 no hydrogen 3.002 N/A LEU 147.A N GLN 117.A OE1 no hydrogen 2.898 N/A LYS 148.A N LEU 141.A O no hydrogen 2.834 N/A LYS 148.A NZ GLU 66.A O no hydrogen 2.907 N/A ILE 149.A N ASN 67.A O no hydrogen 2.832 N/A CYS 150.A N ASN 139.A O no hydrogen 2.940 N/A CYS 150.A SG ASN 139.A OD1 no hydrogen 4.046 N/A PHE 152.A N GLU 56.A OE1 no hydrogen 2.687 N/A GLY 153.A N ASP 151.A OD1 no hydrogen 3.013 N/A ALA 155.A N PHE 152.A O no hydrogen 3.175 N/A ARG 156.A N LEU 131.A O no hydrogen 3.066 N/A ARG 156.A NH1 ALA 155.A O no hydrogen 3.275 N/A ALA 158.A N ASN 129.A O no hydrogen 2.836 N/A ASP 159.A N TYR 189.A O no hydrogen 2.838 N/A HIS 162.A N ASP 159.A O no hydrogen 2.995 N/A ASP 163.A N PRO 160.A O no hydrogen 3.170 N/A THR 165.A N ASN 185.A O no hydrogen 2.989 N/A THR 165.A OG1 THR 169.A OG1 no hydrogen 3.052 N/A LEU 168.A N MET 183.A O no hydrogen 3.176 N/A THR 169.A OG1 THR 165.A OG1 no hydrogen 3.052 N/A THR 169.A OG1 GLY 166.A O no hydrogen 2.864 N/A THR 174.A N ASP 134.A OD1 no hydrogen 3.142 N/A THR 174.A OG1 ASP 134.A OD1 no hydrogen 2.698 N/A THR 174.A OG1 ASP 134.A OD2 no hydrogen 3.525 N/A ARG 175.A NH1 GLY 214.A O no hydrogen 3.175 N/A TRP 176.A NE1 GLY 214.A O no hydrogen 2.943 N/A TYR 177.A N THR 174.A O no hydrogen 3.233 N/A TYR 177.A OH GLU 204.A OE1 no hydrogen 2.633 N/A ARG 178.A N ARG 175.A O no hydrogen 3.181 N/A ARG 178.A NE ALA 173.A O no hydrogen 2.896 N/A ARG 178.A NH2 ALA 173.A O no hydrogen 2.872 N/A GLU 181.A N GLU 181.A OE1 no hydrogen 2.828 N/A ILE 182.A N ALA 179.A O no hydrogen 3.081 N/A MET 183.A N PRO 180.A O no hydrogen 3.042 N/A LEU 184.A N GLU 181.A O no hydrogen 3.010 N/A ASN 185.A N GLU 181.A O no hydrogen 2.830 N/A SER 186.A OG ASP 163.A OD1 no hydrogen 3.098 N/A SER 186.A OG ASP 163.A OD2 no hydrogen 2.806 N/A LYS 187.A N ASP 163.A O no hydrogen 2.832 N/A LYS 187.A NZ HIS 162.A O no hydrogen 3.382 N/A GLY 188.A N SER 186.A OG no hydrogen 3.097 N/A TYR 189.A N ASP 163.A OD1 no hydrogen 2.839 N/A THR 190.A OG1 SER 192.A OG no hydrogen 2.793 N/A LYS 191.A NZ HIS 126.A O no hydrogen 3.058 N/A SER 192.A OG THR 190.A OG1 no hydrogen 2.793 N/A ILE 193.A N THR 190.A O no hydrogen 3.084 N/A ASP 194.A N LYS 191.A O no hydrogen 3.018 N/A ILE 195.A N LYS 191.A O no hydrogen 3.430 N/A TRP 196.A N SER 192.A O no hydrogen 3.187 N/A SER 197.A N ILE 193.A O no hydrogen 3.455 N/A SER 197.A OG TYR 177.A O no hydrogen 2.872 N/A SER 197.A OG ILE 193.A O no hydrogen 3.335 N/A VAL 198.A N ASP 194.A O no hydrogen 2.957 N/A GLY 199.A N ILE 195.A O no hydrogen 2.906 N/A CYS 200.A N TRP 196.A O no hydrogen 2.969 N/A CYS 200.A SG TRP 176.A O no hydrogen 3.889 N/A CYS 200.A SG TRP 196.A O no hydrogen 3.575 N/A ILE 201.A N SER 197.A O no hydrogen 2.951 N/A LEU 202.A N VAL 198.A O no hydrogen 2.809 N/A ALA 203.A N GLY 199.A O no hydrogen 2.991 N/A GLU 204.A N CYS 200.A O no hydrogen 3.012 N/A MET 205.A N ILE 201.A O no hydrogen 2.897 N/A LEU 206.A N LEU 202.A O no hydrogen 3.086 N/A LEU 206.A N ALA 203.A O no hydrogen 3.147 N/A SER 207.A N ALA 203.A O no hydrogen 3.312 N/A SER 207.A OG ALA 203.A O no hydrogen 3.524 N/A ASN 208.A N GLU 204.A O no hydrogen 2.727 N/A ASN 208.A ND2 LEU 101.A O no hydrogen 2.992 N/A ASN 208.A ND2 GLN 104.A O no hydrogen 2.866 N/A ARG 209.A N SER 207.A OG no hydrogen 3.319 N/A GLY 214.A N PHE 212.A O no hydrogen 2.916 N/A GLY 214.A N GLN 220.A OE1 no hydrogen 2.966 N/A LYS 215.A N ASP 219.A OD2 no hydrogen 2.824 N/A TYR 217.A OH THR 169.A O no hydrogen 2.663 N/A GLN 220.A N HIS 216.A O no hydrogen 3.168 N/A GLN 220.A NE2 PHE 212.A O no hydrogen 2.835 N/A ASN 222.A N LEU 218.A O no hydrogen 3.334 N/A HIS 223.A N ASP 219.A O no hydrogen 2.989 N/A ILE 224.A N GLN 220.A O no hydrogen 3.190 N/A LEU 225.A N LEU 221.A O no hydrogen 2.903 N/A GLY 226.A N ASN 222.A O no hydrogen 2.894 N/A ILE 227.A N ILE 224.A O no hydrogen 3.105 N/A LEU 228.A N ILE 224.A O no hydrogen 2.890 N/A GLY 229.A N LEU 225.A O no hydrogen 2.870 N/A SER 230.A N LYS 254.A O no hydrogen 2.923 N/A SER 230.A OG LYS 254.A O no hydrogen 3.486 N/A ASP 235.A N SER 232.A OG no hydrogen 3.048 N/A LEU 236.A N SER 232.A O no hydrogen 2.903 N/A ASN 237.A N GLN 233.A O no hydrogen 2.825 N/A ASN 237.A ND2 GLN 233.A OE1 no hydrogen 2.970 N/A CYS 238.A N GLU 234.A O no hydrogen 3.256 N/A CYS 238.A SG GLU 234.A O no hydrogen 3.349 N/A ILE 239.A N LEU 236.A O no hydrogen 2.859 N/A ALA 244.A N ASN 241.A OD1 no hydrogen 3.217 N/A ARG 245.A N ASN 241.A O no hydrogen 2.966 N/A ARG 245.A NE.B ILE 239.A O no hydrogen 2.935 N/A ARG 245.A NH2.B ILE 239.A O no hydrogen 3.085 N/A ASN 246.A N LEU 242.A O no hydrogen 2.870 N/A TYR 247.A N LYS 243.A O no hydrogen 2.994 N/A TYR 247.A OH ASN 222.A OD1 no hydrogen 2.785 N/A LEU 248.A N ALA 244.A O no hydrogen 3.165 N/A LEU 249.A N ARG 245.A O no hydrogen 2.908 N/A SER 250.A N ASN 246.A O no hydrogen 2.977 N/A SER 250.A N TYR 247.A O no hydrogen 3.052 N/A SER 250.A OG TYR 247.A O no hydrogen 2.691 N/A LEU 251.A N LEU 248.A O no hydrogen 3.272 N/A LYS 254.A N SER 230.A OG no hydrogen 2.826 N/A LYS 256.A NZ ASP 275.A OD1 no hydrogen 3.475 N/A VAL 257.A N ILE 227.A O no hydrogen 2.776 N/A TRP 259.A NE1 ASP 275.A OD1 no hydrogen 2.819 N/A ARG 261.A N PRO 258.A O no hydrogen 3.061 N/A LEU 262.A N PRO 258.A O no hydrogen 3.270 N/A PHE 263.A N TRP 259.A O no hydrogen 2.879 N/A ALA 266.A N PHE 263.A O no hydrogen 3.084 N/A LYS 269.A N ASP 267.A OD2 no hydrogen 2.773 N/A ALA 270.A N ASP 267.A OD2 no hydrogen 3.264 N/A LEU 271.A N ASP 267.A O no hydrogen 3.145 N/A ASP 272.A N SER 268.A O no hydrogen 3.042 N/A LEU 273.A N LYS 269.A O no hydrogen 3.100 N/A LEU 274.A N ALA 270.A O no hydrogen 2.816 N/A ASP 275.A N LEU 271.A O no hydrogen 2.969 N/A LYS 276.A N ASP 272.A O no hydrogen 3.273 N/A LYS 276.A NZ ASP 272.A OD1 no hydrogen 3.324 N/A LYS 276.A NZ ASP 272.A OD2 no hydrogen 2.924 N/A MET 277.A N LEU 273.A O no hydrogen 2.983 N/A LEU 278.A N LEU 274.A O no hydrogen 2.812 N/A THR 279.A OG1 ASP 275.A O no hydrogen 3.056 N/A THR 279.A OG1 LYS 276.A O no hydrogen 3.153 N/A ASN 281.A ND2 ASP 235.A OD2 no hydrogen 2.971 N/A HIS 283.A N ASN 281.A OD1 no hydrogen 2.921 N/A LYS 284.A N ASN 281.A O no hydrogen 3.019 N/A LYS 284.A NZ GLU 234.A OE2 no hydrogen 2.895 N/A LYS 284.A NZ ASP 235.A OD2 no hydrogen 2.752 N/A ARG 285.A N PRO 282.A O no hydrogen 3.406 N/A ARG 285.A NE THR 279.A O no hydrogen 2.989 N/A ARG 285.A NH1 GLU 181.A OE2 no hydrogen 2.787 N/A ARG 285.A NH1 SER 192.A O no hydrogen 2.938 N/A ARG 285.A NH2 GLU 181.A OE1 no hydrogen 2.890 N/A ARG 285.A NH2 GLU 181.A OE2 no hydrogen 3.519 N/A ARG 285.A NH2 THR 279.A O no hydrogen 2.899 N/A ILE 286.A N LYS 276.A O no hydrogen 3.159 N/A GLU 287.A N GLN 290.A OE1 no hydrogen 2.858 N/A ALA 291.A N GLU 287.A O no hydrogen 2.971 N/A LEU 292.A N VAL 288.A O no hydrogen 3.027 N/A ALA 293.A N GLU 289.A O no hydrogen 3.197 N/A HIS 294.A N ALA 291.A O no hydrogen 3.056 N/A HIS 294.A NE2 ASP 272.A OD2 no hydrogen 2.814 N/A TYR 296.A N HIS 294.A ND1 no hydrogen 2.919 N/A TYR 296.A OH ASN 108.A OD1 no hydrogen 2.791 N/A LEU 297.A N HIS 294.A O no hydrogen 2.908 N/A GLU 298.A N PRO 295.A O no hydrogen 3.155 N/A TYR 300.A N LEU 297.A O no hydrogen 2.973 N/A TYR 301.A N LEU 297.A O no hydrogen 2.949 N/A ASP 302.A N GLU 306.A OE1 no hydrogen 2.845 N/A SER 304.A N ASP 302.A OD1 no hydrogen 3.316 N/A SER 304.A OG ASP 302.A OD1 no hydrogen 2.863 N/A ASP 305.A N ASP 302.A O no hydrogen 2.805 N/A GLU 306.A N PRO 303.A O no hydrogen 3.298 N/A ALA 309.A N SER 127.A OG no hydrogen 2.845 N/A PHE 313.A N ALA 128.A O no hydrogen 2.791 N/A LEU 322.A N LEU 319.A O no hydrogen 3.222 N/A GLU 325.A N GLU 325.A OE1 no hydrogen 2.825 N/A LEU 327.A N PRO 323.A O no hydrogen 3.085 N/A LYS 328.A N LYS 324.A O no hydrogen 3.030 N/A LYS 328.A NZ ILE 80.A O no hydrogen 2.836 N/A LYS 328.A NZ MET 83.A O no hydrogen 2.995 N/A GLU 329.A N GLU 325.A O no hydrogen 2.983 N/A LEU 330.A N LYS 326.A O no hydrogen 2.946 N/A ILE 331.A N LEU 327.A O no hydrogen 3.036 N/A PHE 332.A N LYS 328.A O no hydrogen 2.972 N/A GLU 333.A N GLU 329.A O no hydrogen 3.081 N/A GLU 334.A N LEU 330.A O no hydrogen 2.901 N/A THR 335.A N ILE 331.A O no hydrogen 3.082 N/A THR 335.A OG1 ILE 331.A O no hydrogen 2.828 N/A THR 335.A OG1 PHE 332.A O no hydrogen 3.106 N/A ALA 336.A N GLU 333.A O no hydrogen 3.245 N/A PHE 338.A N THR 335.A O no hydrogen 3.358 N/A GLN 339.A N ALA 336.A O no hydrogen 3.093 N/A