Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1tkg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N ASP 54.A OD1 no hydrogen 2.941 N/A ILE 4.A N ARG 12.A O no hydrogen 2.814 N/A THR 5.A N ALA 55.A O no hydrogen 2.910 N/A THR 5.A OG1 GLN 11.A OE1 no hydrogen 3.090 N/A LEU 6.A N SER 10.A O no hydrogen 2.848 N/A GLY 9.A N LEU 6.A O no hydrogen 2.866 N/A SER 10.A N ASP 8.A OD1 no hydrogen 2.960 N/A SER 10.A OG ASP 8.A OD1 no hydrogen 2.657 N/A ARG 12.A N ILE 4.A O no hydrogen 2.846 N/A TYR 14.A N PRO 2.A O no hydrogen 2.930 N/A TYR 14.A OH ASP 26.A OD2 no hydrogen 2.612 N/A HIS 16.A ND1 ASP 15.A OD1 no hydrogen 2.874 N/A VAL 18.A N ILE 51.A O no hydrogen 3.174 N/A SER 19.A N ASP 22.A OD2 no hydrogen 2.933 N/A SER 19.A OG ALA 47.A O no hydrogen 3.277 N/A MET 21.A N ALA 47.A O no hydrogen 3.036 N/A ASP 22.A N SER 19.A OG no hydrogen 3.017 N/A VAL 23.A N SER 19.A O no hydrogen 3.054 N/A ALA 24.A N PRO 20.A O no hydrogen 2.849 N/A LEU 25.A N MET 21.A O no hydrogen 2.968 N/A ASP 26.A N ASP 22.A O no hydrogen 3.118 N/A ILE 27.A N VAL 23.A O no hydrogen 3.030 N/A GLY 28.A N ALA 24.A O no hydrogen 2.987 N/A ALA 32.A N GLY 28.A O no hydrogen 3.140 N/A LYS 33.A N PRO 29.A O no hydrogen 2.980 N/A ALA 34.A N GLY 30.A O no hydrogen 3.104 N/A CYS 35.A N ALA 32.A O no hydrogen 3.284 N/A CYS 35.A SG ALA 37.A O no hydrogen 3.796 N/A ILE 36.A N ILE 60.A O no hydrogen 2.786 N/A ALA 37.A N ILE 60.A O no hydrogen 3.302 N/A GLY 38.A N VAL 45.A O no hydrogen 3.038 N/A ARG 39.A N SER 58.A O no hydrogen 2.907 N/A VAL 40.A N GLU 43.A O no hydrogen 2.808 N/A ASN 41.A N GLN 56.A O no hydrogen 2.865 N/A GLU 43.A N VAL 40.A O no hydrogen 2.983 N/A VAL 45.A N GLY 38.A O no hydrogen 2.785 N/A ASP 46.A N ASP 49.A OD2 no hydrogen 2.831 N/A CYS 48.A SG ASP 49.A OD1 no hydrogen 3.893 N/A ASP 49.A N ASP 46.A O no hydrogen 3.032 N/A ILE 51.A N VAL 18.A O no hydrogen 2.677 N/A ALA 55.A N VAL 3.A O no hydrogen 3.079 N/A GLN 56.A N ASN 41.A OD1 no hydrogen 2.998 N/A LEU 57.A N THR 5.A O no hydrogen 2.871 N/A SER 58.A N ARG 39.A O no hydrogen 2.948 N/A ILE 60.A N ALA 37.A O no hydrogen 2.888 N/A THR 61.A N ASP 64.A OD2 no hydrogen 2.863 N/A THR 61.A OG1 ALA 34.A O no hydrogen 3.443 N/A ASP 64.A N THR 61.A O no hydrogen 3.007 N/A GLU 66.A N GLU 66.A OE1 no hydrogen 2.766 N/A GLY 67.A N ASP 64.A O no hydrogen 2.909 N/A LEU 68.A N ASP 64.A O no hydrogen 3.173 N/A GLU 69.A N GLU 65.A O no hydrogen 2.992 N/A ILE 70.A N GLU 66.A O no hydrogen 2.994 N/A ILE 71.A N GLY 67.A O no hydrogen 2.927 N/A ARG 72.A N LEU 68.A O no hydrogen 2.989 N/A ARG 72.A NE ALA 222.A O no hydrogen 2.874 N/A ARG 72.A NH2 ALA 222.A O no hydrogen 3.246 N/A HIS 73.A N GLU 69.A O no hydrogen 2.896 N/A SER 74.A N ILE 70.A O no hydrogen 2.910 N/A SER 74.A OG ILE 70.A O no hydrogen 3.440 N/A CYS 75.A N ILE 71.A O no hydrogen 2.979 N/A CYS 75.A SG ILE 71.A O no hydrogen 3.349 N/A ALA 76.A N ARG 72.A O no hydrogen 3.233 N/A ALA 76.A N HIS 73.A O no hydrogen 2.980 N/A HIS 77.A N HIS 73.A O no hydrogen 3.298 N/A HIS 77.A ND1 HIS 175.A NE2 no hydrogen 2.945 N/A LEU 78.A N SER 74.A O no hydrogen 2.860 N/A LEU 79.A N CYS 75.A O no hydrogen 2.952 N/A GLY 80.A N ALA 76.A O no hydrogen 3.128 N/A HIS 81.A N HIS 77.A O no hydrogen 2.909 N/A HIS 81.A ND1 TYR 132.A OH no hydrogen 2.781 N/A ALA 82.A N LEU 78.A O no hydrogen 2.908 N/A ILE 83.A N LEU 79.A O no hydrogen 2.792 N/A LYS 84.A N GLY 80.A O no hydrogen 2.986 N/A LYS 84.A NZ PRO 88.A O no hydrogen 3.149 N/A LYS 84.A NZ THR 90.A O no hydrogen 2.529 N/A LYS 84.A NZ GLU 153.A OE2 no hydrogen 2.735 N/A GLN 85.A N ALA 82.A O no hydrogen 2.966 N/A LEU 86.A N ALA 82.A O no hydrogen 3.119 N/A TRP 87.A N ILE 83.A O no hydrogen 2.824 N/A THR 90.A N TRP 87.A O no hydrogen 2.986 N/A THR 90.A OG1 TRP 87.A O no hydrogen 2.750 N/A LYS 91.A N ASP 107.A O no hydrogen 2.949 N/A MET 92.A N GLU 153.A OE1 no hydrogen 2.773 N/A ALA 93.A N ASP 105.A O no hydrogen 2.993 N/A ILE 98.A N GLY 101.A O no hydrogen 2.924 N/A GLY 101.A N ILE 98.A O no hydrogen 3.070 N/A PHE 102.A N GLY 220.A O no hydrogen 2.998 N/A TYR 103.A N PRO 96.A O no hydrogen 3.215 N/A TYR 104.A N ILE 218.A O no hydrogen 2.997 N/A TYR 104.A OH ASP 180.A OD1 no hydrogen 3.221 N/A TYR 104.A OH ASP 180.A OD2 no hydrogen 2.665 N/A ASP 105.A N ILE 94.A O no hydrogen 2.898 N/A VAL 106.A N GLN 216.A O no hydrogen 2.873 N/A ASP 107.A N LYS 91.A O no hydrogen 2.874 N/A ARG 110.A NE ASP 116.A OD1 no hydrogen 3.447 N/A ARG 110.A NE ASP 116.A OD2 no hydrogen 3.066 N/A ARG 110.A NH2 ASP 116.A OD1 no hydrogen 3.131 N/A ARG 110.A NH2 ASP 116.A OD2 no hydrogen 3.365 N/A LEU 112.A N GLN 216.A OE1 no hydrogen 2.869 N/A THR 113.A N ASP 116.A OD2 no hydrogen 2.896 N/A THR 113.A OG1 GLU 115.A OE1 no hydrogen 3.470 N/A ASP 116.A N THR 113.A OG1 no hydrogen 3.155 N/A VAL 117.A N THR 113.A O no hydrogen 2.975 N/A GLU 118.A N GLN 114.A O no hydrogen 2.954 N/A ALA 119.A N GLU 115.A O no hydrogen 2.946 N/A LEU 120.A N ASP 116.A O no hydrogen 2.847 N/A GLU 121.A N VAL 117.A O no hydrogen 2.896 N/A LYS 122.A N GLU 118.A O no hydrogen 2.959 N/A ARG 123.A N ALA 119.A O no hydrogen 3.082 N/A ARG 123.A NE GLU 126.A OE1 no hydrogen 2.942 N/A MET 124.A N LEU 120.A O no hydrogen 2.992 N/A HIS 125.A N GLU 121.A O no hydrogen 2.996 N/A GLU 126.A N LYS 122.A O no hydrogen 3.081 N/A LEU 127.A N ARG 123.A O no hydrogen 2.905 N/A ALA 128.A N MET 124.A O no hydrogen 2.876 N/A GLU 129.A N HIS 125.A O no hydrogen 3.007 N/A LYS 130.A N LEU 127.A O no hydrogen 3.092 N/A LYS 130.A NZ GLU 176.A OE1 no hydrogen 2.795 N/A LYS 130.A NZ GLU 176.A OE2 no hydrogen 3.055 N/A ASN 131.A N ALA 128.A O no hydrogen 2.989 N/A TYR 132.A OH HIS 81.A ND1 no hydrogen 2.781 N/A TYR 132.A OH HIS 175.A ND1 no hydrogen 3.142 N/A VAL 134.A N PRO 188.A O no hydrogen 2.961 N/A ILE 135.A N PHE 174.A O no hydrogen 3.069 N/A LYS 136.A NZ ASP 46.A OD2 no hydrogen 2.875 N/A LYS 136.A NZ ASP 49.A OD1 no hydrogen 2.954 N/A LYS 136.A NZ ASP 49.A OD2 no hydrogen 2.882 N/A LYS 137.A N LEU 172.A O no hydrogen 2.895 N/A VAL 139.A N PRO 170.A O no hydrogen 3.048 N/A SER 140.A N GLU 143.A OE1 no hydrogen 2.889 N/A SER 140.A OG GLU 143.A OE1 no hydrogen 3.264 N/A TRP 141.A NE1 LEU 160.A O no hydrogen 2.783 N/A GLU 143.A N SER 140.A OG no hydrogen 3.052 N/A ALA 144.A N SER 140.A O no hydrogen 3.051 N/A ARG 145.A N TRP 141.A O no hydrogen 2.973 N/A ARG 145.A NE ASP 161.A OD1 no hydrogen 2.767 N/A ARG 145.A NH2 ASP 161.A OD1 no hydrogen 3.567 N/A ARG 145.A NH2 ASP 161.A OD2 no hydrogen 2.969 N/A GLU 146.A N HIS 142.A O no hydrogen 2.833 N/A THR 147.A N GLU 143.A O no hydrogen 3.044 N/A THR 147.A OG1 GLU 143.A O no hydrogen 2.897 N/A PHE 148.A N ALA 144.A O no hydrogen 3.108 N/A ALA 149.A N ARG 145.A O no hydrogen 2.805 N/A ASN 150.A N GLU 146.A O no hydrogen 2.954 N/A ARG 151.A N PHE 148.A O no hydrogen 3.015 N/A ARG 151.A NH1 GLU 177.A O no hydrogen 3.102 N/A GLY 152.A N ALA 149.A O no hydrogen 3.030 N/A GLU 153.A N PHE 148.A O no hydrogen 2.897 N/A SER 154.A N GLY 152.A O no hydrogen 3.063 N/A TYR 155.A OH ASP 107.A OD2 no hydrogen 2.528 N/A LYS 156.A NZ ALA 93.A O no hydrogen 2.645 N/A LYS 156.A NZ TYR 104.A OH no hydrogen 2.865 N/A LYS 156.A NZ ASP 180.A OD1 no hydrogen 3.259 N/A VAL 157.A N GLU 153.A O no hydrogen 3.031 N/A SER 158.A N SER 154.A O no hydrogen 2.940 N/A SER 158.A OG GLU 162.A OE2 no hydrogen 3.304 N/A ILE 159.A N TYR 155.A O no hydrogen 2.919 N/A LEU 160.A N LYS 156.A O no hydrogen 3.035 N/A ASP 161.A N VAL 157.A O no hydrogen 2.890 N/A GLU 162.A N SER 158.A O no hydrogen 2.876 N/A ASN 163.A N ILE 159.A O no hydrogen 2.696 N/A ALA 165.A N ASP 168.A OD2 no hydrogen 2.843 N/A ASP 168.A N ALA 165.A O no hydrogen 2.994 N/A LEU 172.A N LYS 137.A O no hydrogen 2.855 N/A TYR 173.A N ASP 180.A O no hydrogen 2.899 N/A TYR 173.A OH ASP 46.A OD2 no hydrogen 2.640 N/A PHE 174.A N ILE 135.A O no hydrogen 2.717 N/A HIS 175.A N TYR 178.A O no hydrogen 2.765 N/A HIS 175.A ND1 TYR 132.A OH no hydrogen 3.142 N/A HIS 175.A NE2 HIS 77.A ND1 no hydrogen 2.945 N/A GLU 177.A N GLU 177.A OE1 no hydrogen 2.756 N/A TYR 178.A N HIS 175.A O no hydrogen 2.899 N/A TYR 178.A OH ASP 180.A OD2 no hydrogen 2.588 N/A ASP 180.A N TYR 173.A O no hydrogen 2.970 N/A MET 181.A N ASP 180.A OD1 no hydrogen 2.788 N/A CYS 182.A N GLY 171.A O no hydrogen 2.875 N/A HIS 186.A N ASP 46.A OD1 no hydrogen 2.890 N/A VAL 187.A N SER 74.A OG no hydrogen 2.908 N/A MET 190.A N TYR 132.A O no hydrogen 2.988 N/A ARG 191.A NH1 LYS 33.A O no hydrogen 3.350 N/A PHE 192.A N ASN 189.A O no hydrogen 3.324 N/A CYS 193.A N MET 190.A O no hydrogen 2.867 N/A CYS 193.A SG ILE 71.A O no hydrogen 3.802 N/A LYS 197.A N THR 221.A O no hydrogen 3.031 N/A LEU 198.A N GLU 121.A OE1 no hydrogen 2.886 N/A MET 199.A N TYR 219.A O no hydrogen 2.781 N/A ALA 202.A N ARG 217.A O no hydrogen 2.888 N/A ALA 204.A N LEU 215.A O no hydrogen 2.920 N/A TRP 206.A N LYS 213.A O no hydrogen 3.002 N/A ARG 207.A NH1 ASN 163.A OD1 no hydrogen 2.985 N/A ARG 207.A NH2 SER 158.A OG no hydrogen 2.996 N/A ARG 207.A NH2 ASN 163.A OD1 no hydrogen 3.022 N/A GLY 208.A N TYR 205.A O no hydrogen 2.884 N/A ASP 209.A N TRP 206.A O no hydrogen 3.190 N/A ASN 211.A N ASP 209.A OD1 no hydrogen 2.642 N/A ASN 212.A N ASP 209.A O no hydrogen 2.827 N/A ASN 212.A ND2 TRP 206.A O no hydrogen 3.040 N/A LYS 213.A NZ ASP 107.A OD1 no hydrogen 2.773 N/A LYS 213.A NZ ASP 107.A OD2 no hydrogen 3.178 N/A LEU 215.A N ALA 204.A O no hydrogen 2.669 N/A GLN 216.A N VAL 106.A O no hydrogen 2.942 N/A GLN 216.A NE2 LEU 108.A O no hydrogen 3.380 N/A GLN 216.A NE2 ARG 110.A O no hydrogen 2.873 N/A ARG 217.A N ALA 202.A O no hydrogen 2.733 N/A ARG 217.A NE ASP 105.A OD1 no hydrogen 2.780 N/A ARG 217.A NH2 ASP 105.A OD2 no hydrogen 2.959 N/A ILE 218.A N TYR 104.A O no hydrogen 2.951 N/A TYR 219.A N LYS 200.A O no hydrogen 3.029 N/A GLY 220.A N PHE 102.A O no hydrogen 2.917 N/A THR 221.A N LYS 197.A O no hydrogen 2.968 N/A THR 221.A OG1 ASN 100.A O no hydrogen 3.218 N/A TRP 223.A N HIS 195.A O no hydrogen 2.965 N/A