Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6ypg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N TYR 259.A O no hydrogen 2.876 N/A SER 5.A OG HIS 307.A NE2 no hydrogen 2.867 N/A ARG 6.A NH1 SER 5.A O no hydrogen 3.317 N/A ALA 7.A N TYR 180.A OH no hydrogen 2.933 N/A ARG 8.A NH1 GLN 308.A O no hydrogen 3.132 N/A TYR 10.A OH ASP 143.A OD1 no hydrogen 2.601 N/A THR 11.A OG1 ALA 7.A O no hydrogen 2.934 N/A ASN 14.A ND2 GLY 149.A O no hydrogen 2.954 N/A ASN 14.A ND2 TYR 180.A O no hydrogen 2.849 N/A THR 15.A OG1 ASP 12.A O no hydrogen 3.170 N/A THR 15.A OG1 HIS 16.A ND1 no hydrogen 3.330 N/A HIS 16.A ND1 ASP 12.A O no hydrogen 2.877 N/A SER 19.A OG GLU 20.A OE2 no hydrogen 2.863 N/A TYR 21.A N PRO 18.A O no hydrogen 2.811 N/A TYR 21.A OH MET 148.A O no hydrogen 2.671 N/A ASP 23.A N SER 19.A O no hydrogen 2.787 N/A SER 26.A OG ASP 23.A OD2 no hydrogen 2.925 N/A HIS 27.A N TYR 24.A O no hydrogen 3.334 N/A GLY 32.A N ILE 98.A O no hydrogen 2.857 N/A ASP 36.A N ASN 33.A O no hydrogen 3.046 N/A TYR 37.A N GLN 34.A O no hydrogen 3.378 N/A TYR 37.A OH ASP 97.A OD2 no hydrogen 2.588 N/A GLN 38.A N ILE 55.A O no hydrogen 2.915 N/A VAL 40.A N GLU 53.A O no hydrogen 2.892 N/A ARG 41.A N GLU 53.A O no hydrogen 3.392 N/A ARG 41.A NE GLU 53.A OE2 no hydrogen 2.796 N/A ARG 41.A NH2 GLU 53.A OE2 no hydrogen 3.277 N/A LYS 42.A NZ GLU 50.A OE2 no hydrogen 3.248 N/A LEU 43.A N VAL 51.A O no hydrogen 2.762 N/A GLY 44.A N VAL 51.A O no hydrogen 3.400 N/A ARG 45.A NH1 GLU 50.A OE2 no hydrogen 2.898 N/A GLY 46.A N SER 49.A O no hydrogen 2.569 N/A GLU 50.A N ILE 67.A O no hydrogen 3.011 N/A VAL 51.A N GLY 44.A O no hydrogen 2.885 N/A PHE 52.A N VAL 65.A O no hydrogen 2.874 N/A GLU 53.A N ARG 41.A O no hydrogen 2.811 N/A ALA 54.A N VAL 63.A O no hydrogen 2.956 N/A ILE 55.A N GLN 38.A O no hydrogen 2.888 N/A ASN 56.A N GLU 61.A O no hydrogen 2.786 N/A ILE 57.A N ASP 36.A O no hydrogen 2.830 N/A THR 58.A N ASN 56.A OD1 no hydrogen 3.240 N/A THR 58.A OG1 ASN 56.A OD1 no hydrogen 2.706 N/A GLU 61.A N ASN 59.A OD1 no hydrogen 3.100 N/A VAL 63.A N ALA 54.A O no hydrogen 2.896 N/A VAL 64.A N PHE 111.A O no hydrogen 2.919 N/A VAL 65.A N PHE 52.A O no hydrogen 2.846 N/A LYS 66.A N LEU 109.A O no hydrogen 2.701 N/A LYS 66.A NZ GLU 79.A OE2 no hydrogen 2.684 N/A LYS 66.A NZ ASP 173.A OD1 no hydrogen 2.994 N/A ILE 67.A N GLU 50.A O no hydrogen 2.792 N/A LEU 68.A N PRO 107.A O no hydrogen 3.155 N/A LYS 69.A N TYR 48.A O no hydrogen 2.895 N/A LYS 69.A NZ GLY 46.A O no hydrogen 3.142 N/A LYS 69.A NZ LYS 47.A O no hydrogen 3.509 N/A ALA 73.A N PRO 70.A O no hydrogen 3.227 N/A LYS 77.A NZ GLU 25.A O no hydrogen 2.794 N/A ARG 78.A NH1 GLU 178.A OE2 no hydrogen 3.305 N/A ARG 78.A NH2 GLY 175.A O no hydrogen 3.012 N/A ILE 80.A N ILE 76.A O no hydrogen 2.812 N/A LYS 81.A N LYS 77.A O no hydrogen 2.965 N/A ILE 82.A N ARG 78.A O no hydrogen 3.078 N/A LEU 83.A N GLU 79.A O no hydrogen 2.887 N/A GLU 84.A N ILE 80.A O no hydrogen 2.935 N/A ASN 85.A N LYS 81.A O no hydrogen 2.781 N/A ASN 85.A ND2 TYR 21.A O no hydrogen 3.331 N/A LEU 86.A N ILE 82.A O no hydrogen 2.869 N/A ARG 87.A N GLU 84.A O no hydrogen 3.368 N/A ARG 87.A NH1 LEU 95.A O no hydrogen 3.014 N/A GLY 89.A N LEU 86.A O no hydrogen 2.899 N/A ASN 91.A ND2 GLU 137.A O no hydrogen 2.789 N/A ASN 91.A ND2 GLU 137.A OE1 no hydrogen 2.815 N/A ILE 92.A N GLY 89.A O no hydrogen 3.183 N/A ILE 93.A N LEU 171.A O no hydrogen 3.235 N/A THR 94.A N GLU 112.A OE2 no hydrogen 2.700 N/A THR 94.A OG1 GLU 112.A OE2 no hydrogen 3.291 N/A ALA 96.A N VAL 110.A O no hydrogen 2.853 N/A ASP 97.A N VAL 110.A O no hydrogen 3.378 N/A ILE 98.A N ASP 97.A OD1 no hydrogen 2.875 N/A VAL 99.A N ALA 108.A O no hydrogen 2.985 N/A ASP 101.A N THR 106.A O no hydrogen 2.954 N/A VAL 103.A N ASP 101.A OD2 no hydrogen 3.051 N/A SER 104.A N ASP 101.A OD2 no hydrogen 2.689 N/A SER 104.A OG ASP 101.A OD2 no hydrogen 3.191 N/A SER 104.A OG THR 106.A OG1 no hydrogen 2.750 N/A ARG 105.A N ASP 101.A O no hydrogen 3.118 N/A THR 106.A N SER 104.A OG no hydrogen 3.109 N/A THR 106.A OG1 LEU 68.A O no hydrogen 2.629 N/A THR 106.A OG1 SER 104.A OG no hydrogen 2.750 N/A ALA 108.A N VAL 99.A O no hydrogen 2.736 N/A LEU 109.A N LYS 66.A O no hydrogen 2.763 N/A VAL 110.A N ASP 97.A O no hydrogen 2.935 N/A PHE 111.A N VAL 64.A O no hydrogen 2.738 N/A GLU 112.A N THR 94.A O no hydrogen 3.305 N/A THR 117.A N ILE 162.A O no hydrogen 3.319 N/A GLN 121.A N ASP 118.A O no hydrogen 2.923 N/A GLN 121.A N ASP 118.A OD2 no hydrogen 3.148 N/A LEU 122.A N ASP 118.A O no hydrogen 2.820 N/A TYR 123.A N PHE 119.A O no hydrogen 3.061 N/A THR 125.A N LEU 122.A O no hydrogen 3.343 N/A LEU 126.A N LEU 122.A O no hydrogen 3.295 N/A ASP 130.A N THR 127.A OG1 no hydrogen 3.075 N/A ILE 131.A N THR 127.A O no hydrogen 3.013 N/A ARG 132.A N ASP 128.A O no hydrogen 3.096 N/A ARG 132.A NE ASP 128.A OD1 no hydrogen 2.987 N/A ARG 132.A NE ASP 128.A OD2 no hydrogen 3.314 N/A ARG 132.A NH1 TYR 321.A O no hydrogen 2.899 N/A ARG 132.A NH2 ASP 128.A OD1 no hydrogen 3.404 N/A ARG 132.A NH2 ASP 128.A OD2 no hydrogen 2.974 N/A PHE 133.A N TYR 129.A O no hydrogen 2.858 N/A TYR 134.A N ASP 130.A O no hydrogen 2.806 N/A TYR 134.A OH HIS 164.A ND1 no hydrogen 3.031 N/A MET 135.A N ILE 131.A O no hydrogen 2.926 N/A TYR 136.A N ARG 132.A O no hydrogen 2.996 N/A GLU 137.A N PHE 133.A O no hydrogen 3.101 N/A ILE 138.A N TYR 134.A O no hydrogen 2.891 N/A LEU 139.A N MET 135.A O no hydrogen 2.903 N/A LYS 140.A N TYR 136.A O no hydrogen 3.012 N/A LYS 140.A NZ GLU 137.A OE2 no hydrogen 3.067 N/A ALA 141.A N GLU 137.A O no hydrogen 3.450 N/A LEU 142.A N ILE 138.A O no hydrogen 2.964 N/A ASP 143.A N LEU 139.A O no hydrogen 2.825 N/A TYR 144.A N LYS 140.A O no hydrogen 3.063 N/A CYS 145.A N ALA 141.A O no hydrogen 2.928 N/A CYS 145.A SG ALA 141.A O no hydrogen 3.663 N/A CYS 145.A SG LEU 142.A O no hydrogen 3.550 N/A CYS 145.A SG ILE 150.A O no hydrogen 3.556 N/A HIS 146.A N LEU 142.A O no hydrogen 2.917 N/A HIS 146.A NE2 ASP 212.A OD2 no hydrogen 3.018 N/A SER 147.A N ASP 143.A O no hydrogen 2.818 N/A SER 147.A OG TYR 144.A O no hydrogen 2.744 N/A MET 148.A N TYR 144.A O no hydrogen 3.076 N/A MET 148.A N CYS 145.A O no hydrogen 3.071 N/A GLY 149.A N HIS 146.A O no hydrogen 2.904 N/A ILE 150.A N CYS 145.A O no hydrogen 2.853 N/A MET 151.A N GLU 178.A O no hydrogen 2.862 N/A HIS 152.A N ASP 212.A OD2 no hydrogen 2.787 N/A HIS 152.A NE2 ILE 172.A O no hydrogen 3.023 N/A ARG 153.A N ASP 212.A OD1 no hydrogen 2.811 N/A ARG 153.A NE LEU 176.A O no hydrogen 2.698 N/A ARG 153.A NH1 TYR 207.A OH no hydrogen 2.908 N/A ARG 153.A NH2 LEU 176.A O no hydrogen 2.922 N/A ASP 154.A N HIS 152.A ND1 no hydrogen 3.074 N/A ASN 159.A N LYS 156.A O no hydrogen 2.877 N/A ASN 159.A ND2 ASP 154.A O no hydrogen 2.731 N/A ASN 159.A ND2 ASP 154.A OD2 no hydrogen 3.149 N/A VAL 160.A N PRO 157.A O no hydrogen 3.120 N/A MET 161.A N ARG 170.A O no hydrogen 2.880 N/A ASP 163.A N LYS 168.A O no hydrogen 2.750 N/A HIS 164.A ND1 TYR 134.A OH no hydrogen 3.031 N/A HIS 166.A N ASP 163.A O no hydrogen 3.186 N/A HIS 166.A N ASP 163.A OD1 no hydrogen 2.687 N/A HIS 166.A ND1 ASP 163.A OD2 no hydrogen 3.208 N/A ARG 167.A NH1 ASP 130.A OD1 no hydrogen 2.960 N/A ARG 167.A NH2 ASP 130.A OD1 no hydrogen 2.773 N/A LYS 168.A N ASP 163.A O no hydrogen 3.283 N/A ARG 170.A N MET 161.A O no hydrogen 2.872 N/A ARG 170.A NE GLU 112.A OE2 no hydrogen 3.352 N/A ARG 170.A NH1 LEU 169.A O no hydrogen 3.068 N/A LEU 171.A N ASN 91.A O no hydrogen 2.790 N/A ILE 172.A N ASN 159.A O no hydrogen 2.890 N/A TRP 174.A NE1 LEU 171.A O no hydrogen 3.044 N/A GLY 175.A N ASP 173.A OD1 no hydrogen 3.175 N/A ALA 177.A N TRP 174.A O no hydrogen 3.144 N/A GLU 178.A N MET 151.A O no hydrogen 2.965 N/A PHE 179.A N GLU 178.A OE1 no hydrogen 2.847 N/A TYR 180.A N GLY 149.A O no hydrogen 2.803 N/A HIS 181.A N TYR 186.A OH no hydrogen 2.768 N/A GLN 184.A N HIS 181.A O no hydrogen 3.005 N/A TYR 186.A N GLN 205.A O no hydrogen 2.811 N/A TYR 186.A OH PHE 179.A O no hydrogen 2.727 N/A ARG 189.A N ASN 187.A OD1 no hydrogen 2.747 N/A ARG 193.A NH1 GLY 233.A O no hydrogen 2.861 N/A PHE 195.A N SER 192.A O no hydrogen 2.892 N/A LYS 196.A N ARG 193.A O no hydrogen 3.155 N/A LYS 196.A NZ VAL 190.A O no hydrogen 2.748 N/A LYS 196.A NZ ALA 191.A O no hydrogen 3.394 N/A GLU 199.A N GLU 199.A OE1 no hydrogen 2.727 N/A LEU 201.A N GLY 197.A O no hydrogen 3.226 N/A VAL 202.A N PRO 198.A O no hydrogen 2.823 N/A ASP 203.A N LEU 200.A O no hydrogen 3.042 N/A TYR 204.A N GLU 199.A O no hydrogen 2.747 N/A TYR 204.A OH VAL 3.A O no hydrogen 2.623 N/A TYR 207.A OH ASN 187.A O no hydrogen 2.644 N/A TYR 209.A OH TYR 10.A O no hydrogen 2.687 N/A SER 210.A N ASP 208.A OD1 no hydrogen 2.868 N/A SER 210.A OG ASP 208.A OD1 no hydrogen 2.742 N/A SER 210.A OG HIS 307.A O no hydrogen 3.427 N/A LEU 211.A N ASP 208.A O no hydrogen 3.073 N/A ASP 212.A N TYR 209.A O no hydrogen 3.029 N/A TRP 214.A N SER 210.A O no hydrogen 3.250 N/A SER 215.A N LEU 211.A O no hydrogen 3.228 N/A SER 215.A OG PHE 195.A O no hydrogen 2.818 N/A SER 215.A OG LEU 211.A O no hydrogen 3.334 N/A LEU 216.A N ASP 212.A O no hydrogen 2.914 N/A GLY 217.A N MET 213.A O no hydrogen 2.929 N/A CYS 218.A N TRP 214.A O no hydrogen 2.927 N/A CYS 218.A SG TYR 194.A O no hydrogen 3.737 N/A CYS 218.A SG TRP 214.A O no hydrogen 3.540 N/A MET 219.A N SER 215.A O no hydrogen 3.073 N/A LEU 220.A N LEU 216.A O no hydrogen 2.960 N/A ALA 221.A N GLY 217.A O no hydrogen 2.889 N/A SER 222.A N.A CYS 218.A O no hydrogen 3.102 N/A SER 222.A N.B CYS 218.A O no hydrogen 3.094 N/A SER 222.A OG.A LYS 227.A O no hydrogen 2.952 N/A SER 222.A OG.B CYS 218.A O no hydrogen 3.569 N/A SER 222.A OG.B MET 219.A O no hydrogen 2.536 N/A MET 223.A N MET 219.A O no hydrogen 2.978 N/A ILE 224.A N LEU 220.A O no hydrogen 2.936 N/A PHE 225.A N ALA 221.A O no hydrogen 3.084 N/A ARG 226.A N MET 223.A O no hydrogen 3.258 N/A LYS 227.A N SER 222.A O.A no hydrogen 3.110 N/A LYS 227.A N SER 222.A O.B no hydrogen 3.240 N/A LYS 227.A NZ PHE 230.A O no hydrogen 3.391 N/A GLY 233.A N GLN 239.A OE1 no hydrogen 2.848 N/A HIS 234.A N ASP 238.A OD2 no hydrogen 2.768 N/A TYR 237.A N ASP 235.A OD1 no hydrogen 2.810 N/A ASP 238.A N ASP 235.A OD1 no hydrogen 2.765 N/A GLN 239.A N ASP 235.A O no hydrogen 2.846 N/A GLN 239.A NE2 PHE 231.A O no hydrogen 3.061 N/A LEU 240.A N TYR 237.A O no hydrogen 3.140 N/A VAL 241.A N TYR 237.A O no hydrogen 3.389 N/A ARG 242.A N ASP 238.A O no hydrogen 2.879 N/A ARG 242.A NE ASP 238.A OD1 no hydrogen 3.413 N/A ARG 242.A NE ASP 238.A OD2 no hydrogen 2.800 N/A ARG 242.A NH2 ASP 238.A OD2 no hydrogen 3.246 N/A ILE 243.A N GLN 239.A O no hydrogen 3.244 N/A ALA 244.A N LEU 240.A O no hydrogen 2.919 N/A LYS 245.A N VAL 241.A O no hydrogen 2.935 N/A VAL 246.A N ILE 243.A O no hydrogen 2.967 N/A LEU 247.A N ILE 243.A O no hydrogen 2.852 N/A GLY 248.A N ALA 244.A O no hydrogen 2.796 N/A THR 249.A N HIS 274.A O no hydrogen 2.806 N/A THR 249.A OG1 HIS 274.A O no hydrogen 3.338 N/A TYR 253.A N THR 249.A O no hydrogen 2.871 N/A ASP 254.A N GLU 250.A O no hydrogen 2.847 N/A TYR 255.A N ASP 251.A O no hydrogen 2.986 N/A TYR 255.A OH HIS 307.A ND1 no hydrogen 3.052 N/A ILE 256.A N LEU 252.A O no hydrogen 2.946 N/A ASP 257.A N TYR 253.A O no hydrogen 2.860 N/A LYS 258.A N ASP 254.A O no hydrogen 2.843 N/A LYS 258.A NZ ASP 306.A OD2 no hydrogen 2.657 N/A TYR 259.A N TYR 255.A O no hydrogen 3.348 N/A TYR 259.A OH ASP 306.A OD1 no hydrogen 2.683 N/A ASN 260.A N ASP 257.A O no hydrogen 3.098 N/A ILE 261.A N ILE 256.A O no hydrogen 2.846 N/A ARG 266.A N ASP 264.A OD1 no hydrogen 2.909 N/A ARG 266.A NE ASP 264.A OD1 no hydrogen 3.524 N/A ARG 266.A NE ASP 264.A OD2 no hydrogen 2.828 N/A ARG 266.A NH2 ASP 264.A OD2 no hydrogen 3.227 N/A PHE 267.A N ASP 264.A O no hydrogen 3.076 N/A ASN 268.A N PRO 265.A O no hydrogen 3.111 N/A LEU 271.A N PHE 267.A O no hydrogen 3.025 N/A HIS 274.A N THR 249.A OG1 no hydrogen 2.969 N/A ARG 276.A NH2 ASP 300.A OD1 no hydrogen 2.796 N/A LYS 277.A N VAL 246.A O no hydrogen 2.842 N/A LYS 277.A NZ LYS 245.A O no hydrogen 2.842 N/A LYS 277.A NZ SER 275.A O no hydrogen 2.736 N/A TRP 279.A NE1 ASP 300.A OD1 no hydrogen 2.801 N/A TRP 279.A NE1 ASP 300.A OD2 no hydrogen 3.200 N/A ARG 281.A N ARG 278.A O no hydrogen 3.309 N/A PHE 282.A N TRP 279.A O no hydrogen 2.837 N/A VAL 283.A N GLU 280.A O no hydrogen 3.083 N/A HIS 284.A N ASN 287.A OD1 no hydrogen 2.948 N/A HIS 284.A ND1 GLU 286.A OE1 no hydrogen 3.002 N/A SER 285.A OG GLU 286.A OE1 no hydrogen 3.134 N/A ASN 287.A N HIS 284.A O no hydrogen 3.214 N/A ASN 287.A ND2 PHE 225.A O no hydrogen 3.059 N/A ASN 287.A ND2 PHE 282.A O no hydrogen 2.999 N/A GLN 288.A N.A HIS 284.A O no hydrogen 3.081 N/A GLN 288.A N.B HIS 284.A O no hydrogen 3.084 N/A LEU 290.A N ASN 287.A O no hydrogen 2.834 N/A VAL 291.A N GLN 288.A O.A no hydrogen 3.189 N/A VAL 291.A N GLN 288.A O.B no hydrogen 3.172 N/A GLU 294.A N GLU 294.A OE1 no hydrogen 2.816 N/A ALA 295.A N SER 292.A OG no hydrogen 3.036 N/A LEU 296.A N SER 292.A O no hydrogen 3.064 N/A ASP 297.A N PRO 293.A O no hydrogen 2.872 N/A PHE 298.A N GLU 294.A O no hydrogen 2.974 N/A LEU 299.A N ALA 295.A O no hydrogen 2.829 N/A ASP 300.A N LEU 296.A O no hydrogen 2.906 N/A LYS 301.A N ASP 297.A O no hydrogen 3.158 N/A LYS 301.A N PHE 298.A O no hydrogen 2.995 N/A LYS 301.A NZ ASP 297.A OD1 no hydrogen 2.765 N/A LYS 301.A NZ ASP 297.A OD2 no hydrogen 2.880 N/A LEU 302.A N PHE 298.A O no hydrogen 3.169 N/A LEU 302.A N LEU 299.A O no hydrogen 3.037 N/A LEU 303.A N LEU 299.A O no hydrogen 2.901 N/A ARG 304.A N LEU 302.A O no hydrogen 2.999 N/A ARG 304.A NE ASP 300.A O no hydrogen 3.009 N/A ARG 304.A NH1 SER 309.A O.A no hydrogen 3.363 N/A TYR 305.A OH GLY 248.A O no hydrogen 2.709 N/A HIS 307.A ND1 TYR 255.A OH no hydrogen 3.052 N/A HIS 307.A NE2 SER 5.A OG no hydrogen 2.867 N/A GLN 308.A N ASP 306.A OD1 no hydrogen 2.941 N/A GLN 308.A NE2 SER 5.A OG no hydrogen 2.816 N/A SER 309.A N.A ASP 306.A O no hydrogen 2.932 N/A SER 309.A N.B ASP 306.A O no hydrogen 2.957 N/A SER 309.A OG.B ASP 306.A O no hydrogen 2.774 N/A ARG 310.A N HIS 307.A O no hydrogen 3.455 N/A ARG 310.A NE ARG 304.A O no hydrogen 2.906 N/A ARG 310.A NH1 GLU 199.A OE1 no hydrogen 3.404 N/A ARG 310.A NH1 GLU 199.A OE2 no hydrogen 2.870 N/A ARG 310.A NH1 SER 210.A O no hydrogen 2.912 N/A ARG 310.A NH2 GLU 199.A OE1 no hydrogen 2.737 N/A ARG 310.A NH2 ARG 304.A O no hydrogen 3.292 N/A ARG 310.A NH2 TYR 305.A O no hydrogen 3.050 N/A LEU 311.A N LYS 301.A O no hydrogen 3.005 N/A THR 312.A N GLU 315.A OE1 no hydrogen 3.024 N/A THR 312.A OG1 GLU 315.A OE1 no hydrogen 3.320 N/A GLU 315.A N THR 312.A OG1 no hydrogen 3.204 N/A ALA 316.A N THR 312.A O no hydrogen 2.894 N/A MET 317.A N ALA 313.A O no hydrogen 3.139 N/A GLU 318.A N GLU 315.A O no hydrogen 2.982 N/A HIS 319.A N ALA 316.A O no hydrogen 2.883 N/A HIS 319.A NE2 ASP 297.A OD2 no hydrogen 2.738 N/A TYR 321.A N HIS 319.A ND1 no hydrogen 2.957 N/A PHE 322.A N HIS 319.A O no hydrogen 2.998 N/A TYR 323.A N PRO 320.A O no hydrogen 2.921 N/A VAL 325.A N PHE 322.A O no hydrogen 3.082 N/A VAL 326.A N TYR 129.A OH no hydrogen 3.076 N/A LYS 327.A NZ PHE 322.A O no hydrogen 2.734 N/A LYS 327.A NZ VAL 325.A O no hydrogen 2.810 N/A