Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2j5g_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A OH ASP 52.A OD1 no hydrogen 2.651 N/A PHE 5.A N PRO 2.A O no hydrogen 3.071 N/A THR 6.A N GLU 3.A O no hydrogen 3.085 N/A THR 6.A OG1 GLU 3.A O no hydrogen 3.413 N/A LYS 7.A N TYR 4.A O no hydrogen 3.195 N/A TYR 8.A OH ASP 48.A OD2 no hydrogen 2.681 N/A ASN 10.A ND2 HIS 26.A O no hydrogen 2.913 N/A LEU 11.A N TYR 8.A O no hydrogen 3.102 N/A HIS 12.A N ARG 24.A O no hydrogen 2.829 N/A HIS 14.A N GLU 22.A O no hydrogen 2.976 N/A ARG 15.A NH1 ASP 52.A OD1 no hydrogen 2.794 N/A ARG 15.A NH1 ASN 55.A OD1 no hydrogen 2.854 N/A ASP 16.A N ILE 20.A O no hydrogen 2.985 N/A ASN 18.A N ASP 16.A OD1 no hydrogen 2.781 N/A ASN 18.A ND2 ASP 16.A OD2 no hydrogen 2.944 N/A GLY 19.A N ASP 16.A O no hydrogen 3.143 N/A ILE 20.A N ASP 16.A OD1 no hydrogen 2.993 N/A LEU 21.A N VAL 57.A O no hydrogen 2.874 N/A GLU 22.A N HIS 14.A O no hydrogen 2.803 N/A VAL 23.A N ILE 59.A O no hydrogen 2.792 N/A ARG 24.A N HIS 12.A O no hydrogen 2.835 N/A ARG 24.A NE SER 63.A OG no hydrogen 2.489 N/A MET 25.A N THR 61.A O no hydrogen 2.863 N/A HIS 26.A N ASN 10.A O no hydrogen 2.940 N/A THR 27.A N SER 30.A O no hydrogen 2.866 N/A GLY 29.A N HIS 26.A ND1 no hydrogen 2.963 N/A SER 30.A N THR 27.A O no hydrogen 2.858 N/A SER 31.A OG SER 63.A O no hydrogen 2.654 N/A SER 31.A OG ALA 66.A O no hydrogen 3.544 N/A VAL 33.A N THR 27.A OG1 no hydrogen 2.873 N/A PHE 34.A N GLU 70.A O no hydrogen 2.881 N/A THR 35.A N THR 38.A OG1 no hydrogen 2.896 N/A GLY 36.A N SER 75.A OG no hydrogen 3.039 N/A LYS 37.A NZ GLU 41.A OE1 no hydrogen 2.790 N/A THR 38.A N THR 35.A OG1 no hydrogen 2.982 N/A THR 38.A OG1 THR 35.A O no hydrogen 2.996 N/A HIS 39.A N THR 35.A O no hydrogen 2.910 N/A HIS 39.A ND1 GLU 91.A OE1 no hydrogen 2.748 N/A ARG 40.A N GLY 36.A O no hydrogen 2.995 N/A GLU 41.A N LYS 37.A O no hydrogen 2.794 N/A PHE 42.A N THR 38.A O no hydrogen 2.876 N/A ALA 45.A N GLU 41.A O no hydrogen 2.960 N/A PHE 46.A N PHE 42.A O no hydrogen 2.868 N/A TYR 47.A N PRO 43.A O no hydrogen 3.059 N/A ASP 48.A N ASP 44.A O no hydrogen 2.887 N/A ILE 49.A N ALA 45.A O no hydrogen 2.940 N/A SER 50.A N PHE 46.A O no hydrogen 2.983 N/A SER 50.A OG TYR 47.A O no hydrogen 2.714 N/A ARG 51.A N TYR 47.A O no hydrogen 2.939 N/A ARG 51.A NH1 ASP 48.A OD1 no hydrogen 2.859 N/A ASP 52.A N ILE 49.A O no hydrogen 3.353 N/A ASP 54.A N ASP 52.A OD2 no hydrogen 2.946 N/A ASN 55.A N ASP 52.A O no hydrogen 3.148 N/A ASN 55.A ND2 TYR 4.A OH no hydrogen 2.879 N/A ASN 55.A ND2 ILE 49.A O no hydrogen 2.967 N/A ARG 56.A N GLY 19.A O no hydrogen 2.726 N/A ARG 56.A NE THR 210.A OG1 no hydrogen 2.836 N/A ARG 56.A NH1 ASN 18.A O no hydrogen 3.006 N/A ARG 56.A NH1 ALA 206.A O no hydrogen 2.812 N/A ARG 56.A NH2 ALA 206.A O no hydrogen 3.265 N/A ARG 56.A NH2 GLN 208.A O no hydrogen 2.786 N/A ARG 56.A NH2 THR 210.A OG1 no hydrogen 3.122 N/A VAL 57.A N GLY 19.A O no hydrogen 3.356 N/A VAL 58.A N PRO 105.A O no hydrogen 2.979 N/A ILE 59.A N LEU 21.A O no hydrogen 2.751 N/A LEU 60.A N ILE 107.A O no hydrogen 2.847 N/A THR 61.A N VAL 23.A O no hydrogen 2.899 N/A THR 61.A OG1 ALA 109.A O no hydrogen 2.632 N/A SER 63.A OG MET 25.A O no hydrogen 2.779 N/A TRP 67.A N ALA 113.A O no hydrogen 2.895 N/A MET 68.A N ALA 113.A O no hydrogen 2.973 N/A ASP 72.A N PHE 34.A O no hydrogen 2.797 N/A SER 75.A N ASP 72.A O no hydrogen 3.080 N/A SER 75.A N ASP 72.A OD1 no hydrogen 3.182 N/A SER 75.A OG ASP 72.A O no hydrogen 2.652 N/A LEU 76.A N PHE 73.A O no hydrogen 2.968 N/A GLY 77.A N PRO 74.A O no hydrogen 3.129 N/A THR 80.A N ASP 78.A OD2 no hydrogen 3.158 N/A THR 80.A OG1 ASP 78.A OD1 no hydrogen 3.503 N/A THR 80.A OG1 ASP 78.A OD2 no hydrogen 2.679 N/A ASN 81.A N ASP 78.A O no hydrogen 3.020 N/A ARG 83.A N ASN 81.A OD1 no hydrogen 2.918 N/A GLU 84.A N ASN 81.A O no hydrogen 2.905 N/A TRP 85.A N ASN 81.A O no hydrogen 2.890 N/A TRP 85.A NE1 LEU 236.A O no hydrogen 2.940 N/A ASP 86.A N PRO 82.A O no hydrogen 2.955 N/A LYS 87.A N GLU 84.A O no hydrogen 2.993 N/A LYS 87.A NZ GLU 84.A OE1 no hydrogen 2.896 N/A TYR 89.A N TRP 85.A O no hydrogen 2.821 N/A TRP 90.A N ASP 86.A O no hydrogen 2.941 N/A GLU 91.A N LYS 87.A O no hydrogen 2.930 N/A GLY 92.A N THR 88.A O no hydrogen 2.722 N/A LYS 93.A N TYR 89.A O no hydrogen 3.016 N/A LYS 93.A NZ TYR 89.A OH no hydrogen 2.962 N/A LYS 94.A N TRP 90.A O no hydrogen 3.032 N/A VAL 95.A N GLU 91.A O no hydrogen 2.864 N/A GLN 97.A N LYS 93.A O no hydrogen 3.144 N/A ASN 98.A N LYS 94.A O no hydrogen 2.821 N/A ASN 98.A ND2 PRO 43.A O no hydrogen 2.918 N/A LEU 99.A N VAL 95.A O no hydrogen 2.971 N/A LEU 100.A N LEU 96.A O no hydrogen 2.929 N/A ASP 101.A N GLN 97.A O no hydrogen 3.014 N/A ILE 102.A N LEU 99.A O no hydrogen 3.210 N/A VAL 106.A N ASP 125.A OD1 no hydrogen 2.845 N/A ILE 107.A N VAL 58.A O no hydrogen 2.760 N/A SER 108.A N ILE 126.A O no hydrogen 2.795 N/A SER 108.A OG THR 124.A OG1 no hydrogen 2.738 N/A ALA 109.A N LEU 60.A O no hydrogen 2.986 N/A VAL 110.A N LEU 128.A O no hydrogen 2.812 N/A ALA 114.A N VAL 134.A O no hydrogen 2.789 N/A LEU 115.A N MET 68.A O no hydrogen 2.855 N/A HIS 117.A ND1 GLU 119.A OE2 no hydrogen 2.657 N/A GLU 119.A N GLU 119.A OE1 no hydrogen 2.736 N/A TYR 120.A N HIS 117.A O no hydrogen 3.031 N/A LEU 122.A N SER 118.A O no hydrogen 3.285 N/A THR 123.A N TYR 120.A O no hydrogen 3.123 N/A THR 123.A OG1 TYR 120.A O no hydrogen 2.734 N/A THR 124.A N ILE 121.A O no hydrogen 2.956 N/A THR 124.A OG1 SER 108.A OG no hydrogen 2.738 N/A THR 124.A OG1 ILE 121.A O no hydrogen 2.755 N/A ASP 125.A N VAL 106.A O no hydrogen 2.780 N/A ILE 126.A N VAL 106.A O no hydrogen 3.395 N/A ILE 127.A N HIS 186.A ND1 no hydrogen 3.002 N/A LEU 128.A N SER 108.A O no hydrogen 2.867 N/A ALA 129.A N GLU 187.A O no hydrogen 3.009 N/A SER 130.A N VAL 110.A O no hydrogen 2.891 N/A SER 130.A OG VAL 110.A O no hydrogen 3.356 N/A SER 130.A OG THR 133.A OG1 no hydrogen 3.002 N/A GLU 131.A N LEU 189.A O no hydrogen 2.877 N/A THR 133.A N SER 130.A O no hydrogen 2.971 N/A THR 133.A OG1 VAL 110.A O no hydrogen 3.067 N/A THR 133.A OG1 GLY 112.A O no hydrogen 3.395 N/A THR 133.A OG1 SER 130.A O no hydrogen 3.148 N/A THR 133.A OG1 SER 130.A OG no hydrogen 3.002 N/A PHE 135.A N LEU 174.A O no hydrogen 2.788 N/A GLN 136.A N ALA 114.A O no hydrogen 3.043 N/A MET 138.A N LEU 115.A O no hydrogen 2.950 N/A HIS 140.A ND1 ASP 137.A OD1 no hydrogen 2.672 N/A HIS 140.A ND1 ASP 137.A OD2 no hydrogen 3.233 N/A ALA 143.A N PRO 139.A O no hydrogen 2.933 N/A GLY 144.A N HIS 140.A O no hydrogen 2.810 N/A ILE 145.A N HIS 140.A O no hydrogen 2.993 N/A VAL 146.A N THR 242.A OG1 no hydrogen 3.067 N/A GLY 150.A N HIS 152.A ND1 no hydrogen 3.216 N/A VAL 151.A N ASP 149.A OD1 no hydrogen 3.209 N/A HIS 152.A NE2 GLY 231.A O no hydrogen 2.891 N/A ILE 153.A N GLY 150.A O no hydrogen 3.058 N/A LEU 154.A N GLY 150.A O no hydrogen 2.908 N/A TRP 155.A N VAL 151.A O no hydrogen 3.036 N/A TRP 155.A NE1 SER 118.A OG no hydrogen 2.804 N/A LEU 157.A N.A ILE 153.A O no hydrogen 3.086 N/A LEU 157.A N.B ILE 153.A O no hydrogen 3.078 N/A ALA 158.A N LEU 154.A O no hydrogen 2.843 N/A LEU 159.A N TRP 155.A O no hydrogen 2.801 N/A ARG 163.A NE GLU 172.A OE2 no hydrogen 2.913 N/A ARG 163.A NH2 GLU 172.A OE1 no hydrogen 2.854 N/A GLY 164.A N GLY 160.A O no hydrogen 2.846 N/A ARG 165.A NE LEU 161.A O no hydrogen 2.713 N/A ARG 165.A NH2 LEU 161.A O no hydrogen 3.100 N/A TYR 166.A N TYR 162.A O no hydrogen 3.053 N/A PHE 167.A N ARG 163.A O no hydrogen 2.824 N/A LEU 168.A N GLY 164.A O no hydrogen 3.155 N/A PHE 169.A N ARG 165.A O no hydrogen 2.891 N/A THR 170.A N TYR 166.A O no hydrogen 2.984 N/A THR 170.A OG1 TYR 166.A O no hydrogen 2.752 N/A GLN 171.A N LEU 168.A O no hydrogen 3.288 N/A GLN 171.A NE2 MET 138.A O no hydrogen 2.892 N/A GLN 171.A NE2 ASN 142.A OD1 no hydrogen 2.921 N/A GLU 172.A N PHE 167.A O no hydrogen 3.024 N/A LEU 174.A N PHE 135.A O no hydrogen 2.913 N/A THR 175.A N GLN 178.A OE1 no hydrogen 2.869 N/A THR 175.A OG1 GLN 178.A OE1 no hydrogen 3.517 N/A GLN 178.A N THR 175.A OG1 no hydrogen 3.030 N/A ALA 179.A N THR 175.A O no hydrogen 2.910 N/A TYR 180.A N ALA 176.A O no hydrogen 2.901 N/A GLU 181.A N GLN 177.A O no hydrogen 3.011 N/A LEU 182.A N GLN 178.A O no hydrogen 2.965 N/A ASN 183.A N TYR 180.A O no hydrogen 3.005 N/A VAL 184.A N ALA 179.A O no hydrogen 2.974 N/A VAL 185.A N ALA 179.A O no hydrogen 3.201 N/A HIS 186.A N ILE 127.A O no hydrogen 2.755 N/A HIS 186.A NE2 ASN 183.A O no hydrogen 2.953 N/A LEU 189.A N ALA 129.A O no hydrogen 2.845 N/A GLN 191.A NE2 ASP 65.A OD1 no hydrogen 3.237 N/A LYS 193.A N PRO 190.A O no hydrogen 2.876 N/A LEU 194.A N GLN 191.A O no hydrogen 3.500 N/A ARG 197.A N LYS 193.A O no hydrogen 3.135 N/A ARG 197.A NE GLU 187.A OE2 no hydrogen 2.790 N/A ARG 197.A NH1 GLU 200.A OE1 no hydrogen 2.915 N/A ARG 197.A NH2 GLU 187.A OE1 no hydrogen 2.842 N/A ALA 198.A N LEU 194.A O no hydrogen 3.024 N/A TRP 199.A N MET 195.A O no hydrogen 2.997 N/A TRP 199.A NE1 GLU 22.A OE1 no hydrogen 2.947 N/A GLU 200.A N GLU 196.A O no hydrogen 2.898 N/A ILE 201.A N ARG 197.A O no hydrogen 2.965 N/A ALA 202.A N ALA 198.A O no hydrogen 2.928 N/A ARG 203.A N TRP 199.A O no hydrogen 2.829 N/A THR 204.A N GLU 200.A O no hydrogen 3.155 N/A THR 204.A OG1 GLU 200.A O no hydrogen 3.379 N/A LEU 205.A N ILE 201.A O no hydrogen 2.988 N/A ALA 206.A N ALA 202.A O no hydrogen 2.807 N/A LYS 207.A N THR 204.A O no hydrogen 3.283 N/A GLN 208.A N LEU 205.A O no hydrogen 2.928 N/A ASN 212.A ND2 GLN 208.A OE1 no hydrogen 2.909 N/A LEU 213.A N PRO 209.A O no hydrogen 3.142 N/A ARG 214.A N THR 210.A O no hydrogen 3.046 N/A TYR 215.A N LEU 211.A O no hydrogen 2.808 N/A THR 216.A N ASN 212.A O no hydrogen 2.912 N/A THR 216.A OG1 ASN 212.A O no hydrogen 2.789 N/A THR 216.A OG1 ASN 212.A OD1 no hydrogen 3.224 N/A ARG 217.A N LEU 213.A O no hydrogen 3.202 N/A ARG 217.A NE ILE 102.A O no hydrogen 2.906 N/A ARG 217.A NH1 THR 123.A O no hydrogen 3.172 N/A ARG 217.A NH1 ASP 125.A OD1 no hydrogen 2.785 N/A ARG 217.A NH1 ASP 125.A OD2 no hydrogen 3.371 N/A ARG 217.A NH2 LEU 100.A O no hydrogen 3.038 N/A ARG 217.A NH2 ILE 102.A O no hydrogen 3.549 N/A VAL 218.A N ARG 214.A O no hydrogen 2.971 N/A ALA 219.A N TYR 215.A O no hydrogen 2.911 N/A LEU 220.A N THR 216.A O no hydrogen 2.961 N/A THR 221.A N VAL 218.A O no hydrogen 3.193 N/A THR 221.A OG1 ARG 217.A O no hydrogen 2.821 N/A THR 221.A OG1 VAL 218.A O no hydrogen 3.353 N/A LYS 225.A N THR 221.A O no hydrogen 2.828 N/A LYS 225.A NZ ASP 101.A OD2 no hydrogen 3.438 N/A LYS 225.A NZ THR 221.A OG1 no hydrogen 3.323 N/A ARG 226.A N GLN 222.A O no hydrogen 3.137 N/A LEU 227.A N ARG 223.A O no hydrogen 2.972 N/A VAL 228.A N LEU 224.A O no hydrogen 2.952 N/A ASN 229.A N LYS 225.A O no hydrogen 2.872 N/A GLU 230.A N ARG 226.A O no hydrogen 2.969 N/A GLY 231.A N VAL 228.A O no hydrogen 3.157 N/A ILE 232.A N VAL 228.A O no hydrogen 2.930 N/A GLY 235.A N GLY 231.A O no hydrogen 2.959 N/A LEU 236.A N ILE 232.A O no hydrogen 3.031 N/A ALA 237.A N GLY 233.A O no hydrogen 2.866 N/A LEU 238.A N TYR 234.A O no hydrogen 2.932 N/A GLU 239.A N GLY 235.A O no hydrogen 2.890 N/A GLY 240.A N LEU 236.A O no hydrogen 2.966 N/A ILE 241.A N ALA 237.A O no hydrogen 3.019 N/A THR 242.A N LEU 238.A O no hydrogen 3.083 N/A THR 242.A OG1 GLU 239.A O no hydrogen 2.750 N/A ALA 243.A N GLU 239.A O no hydrogen 2.809 N/A THR 244.A N GLY 240.A O no hydrogen 2.899 N/A THR 244.A OG1 THR 80.A O no hydrogen 3.361 N/A ASP 245.A N ILE 241.A O no hydrogen 2.928 N/A LEU 246.A N ALA 243.A O no hydrogen 3.086 N/A ARG 247.A N THR 244.A O no hydrogen 3.132 N/A ASN 248.A N ASP 245.A O no hydrogen 2.848 N/A ASN 248.A ND2 ASP 245.A OD2 no hydrogen 2.895 N/A ASN 249.A N LEU 246.A O no hydrogen 3.461 N/A