Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3i0f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 8.A N LYS 5.A O no hydrogen 3.106 N/A ARG 11.A NE ASP 13.A OD2 no hydrogen 2.806 N/A ARG 11.A NH1 GLU 27.A O no hydrogen 2.924 N/A ARG 11.A NH2 ASP 13.A OD1 no hydrogen 2.988 N/A ARG 11.A NH2 ASP 13.A OD2 no hydrogen 3.316 N/A ARG 11.A NH2 VAL 256.A O no hydrogen 2.939 N/A THR 18.A N ALA 22.A O no hydrogen 2.751 N/A THR 18.A OG1 ALA 22.A O no hydrogen 3.479 N/A TRP 20.A N THR 18.A OG1 no hydrogen 3.189 N/A TRP 20.A NE1 PRO 236.A O no hydrogen 2.791 N/A LEU 21.A N THR 18.A O no hydrogen 2.829 N/A ALA 22.A N THR 18.A OG1 no hydrogen 3.047 N/A ILE 24.A N VAL 16.A O no hydrogen 2.906 N/A VAL 25.A N VAL 239.A O no hydrogen 2.854 N/A TRP 26.A NE1 LEU 15.A O no hydrogen 2.893 N/A GLU 27.A N GLU 243.A OE1 no hydrogen 2.762 N/A THR 29.A N TRP 26.A O no hydrogen 2.992 N/A THR 29.A OG1 TRP 26.A O no hydrogen 2.747 N/A ASP 33.A N ASN 31.A OD1 no hydrogen 2.891 N/A ILE 34.A N ASN 31.A O no hydrogen 3.090 N/A LEU 35.A N ASN 31.A O no hydrogen 3.333 N/A ASN 36.A N ILE 32.A O no hydrogen 2.807 N/A GLU 37.A N ASP 33.A O no hydrogen 3.155 N/A GLN 38.A N ILE 34.A O no hydrogen 3.080 N/A PHE 39.A N LEU 35.A O no hydrogen 2.894 N/A ARG 40.A N ASN 36.A O no hydrogen 2.847 N/A ARG 40.A NH2 ASN 43.A OD1 no hydrogen 2.861 N/A LEU 41.A N GLU 37.A O no hydrogen 2.980 N/A GLN 42.A N PHE 39.A O no hydrogen 3.156 N/A ASN 43.A N ARG 40.A O no hydrogen 2.770 N/A THR 44.A N PHE 39.A O no hydrogen 3.259 N/A THR 44.A OG1 PHE 39.A O no hydrogen 2.816 N/A THR 45.A N ASP 126.A OD2 no hydrogen 2.857 N/A ILE 46.A N ARG 76.A O no hydrogen 2.855 N/A GLY 47.A N TYR 127.A O no hydrogen 2.834 N/A LEU 48.A N HIS 78.A O no hydrogen 2.824 N/A THR 49.A N VAL 129.A O no hydrogen 2.813 N/A VAL 50.A N TYR 80.A O no hydrogen 3.119 N/A ALA 52.A N PHE 82.A O no hydrogen 2.756 N/A LYS 54.A N ASP 84.A OD1 no hydrogen 2.947 N/A LYS 54.A N ASP 84.A OD2 no hydrogen 3.197 N/A TYR 56.A N ILE 53.A O no hydrogen 3.103 N/A VAL 57.A N LYS 54.A O no hydrogen 3.385 N/A ALA 58.A N LYS 55.A O no hydrogen 3.086 N/A PHE 59.A N TYR 56.A O no hydrogen 2.990 N/A LEU 60.A N VAL 57.A O no hydrogen 3.155 N/A LYS 61.A NZ GLU 65.A OE2 no hydrogen 2.670 N/A PHE 63.A N PHE 59.A O no hydrogen 3.148 N/A LEU 64.A N LEU 60.A O no hydrogen 2.834 N/A GLU 65.A N LYS 61.A O no hydrogen 2.917 N/A THR 66.A N LEU 62.A O no hydrogen 2.997 N/A THR 66.A OG1 LEU 62.A O no hydrogen 2.813 N/A THR 66.A OG1 PHE 63.A O no hydrogen 3.293 N/A ALA 67.A N PHE 63.A O no hydrogen 2.901 N/A GLU 68.A N LEU 64.A O no hydrogen 2.992 N/A LYS 69.A N THR 66.A O no hydrogen 3.031 N/A HIS 70.A N ALA 67.A O no hydrogen 3.310 N/A PHE 71.A N ALA 67.A O no hydrogen 2.761 N/A MET 72.A N VAL 141.A O no hydrogen 2.887 N/A HIS 75.A N MET 72.A O no hydrogen 2.966 N/A HIS 75.A NE2 ASN 36.A OD1 no hydrogen 2.862 N/A VAL 77.A N GLY 97.A O no hydrogen 3.134 N/A HIS 78.A N ILE 46.A O no hydrogen 2.925 N/A HIS 78.A NE2 SER 101.A OG no hydrogen 2.670 N/A TYR 79.A N GLN 99.A O no hydrogen 2.779 N/A TYR 79.A OH GLU 68.A OE2 no hydrogen 2.560 N/A TYR 80.A N LEU 48.A O no hydrogen 2.690 N/A VAL 81.A N SER 101.A O no hydrogen 2.939 N/A PHE 82.A N VAL 50.A O no hydrogen 2.857 N/A THR 83.A N LEU 103.A O no hydrogen 3.033 N/A THR 83.A OG1 ALA 52.A O no hydrogen 2.724 N/A GLN 85.A N THR 83.A OG1 no hydrogen 3.008 N/A ALA 88.A N GLN 85.A O no hydrogen 2.940 N/A VAL 89.A N PRO 86.A O no hydrogen 3.098 N/A GLY 95.A N GLU 68.A OE1 no hydrogen 2.748 N/A ARG 98.A NE GLU 68.A OE2 no hydrogen 2.716 N/A ARG 98.A NH1 GLU 68.A OE2 no hydrogen 3.448 N/A ARG 98.A NH1 PHE 71.A O no hydrogen 2.876 N/A ARG 98.A NH1 TYR 79.A OH no hydrogen 2.938 N/A ARG 98.A NH2 PHE 71.A O no hydrogen 3.030 N/A ARG 98.A NH2 MET 72.A O no hydrogen 3.329 N/A GLN 99.A N VAL 77.A O no hydrogen 2.960 N/A SER 101.A N TYR 79.A O no hydrogen 2.816 N/A SER 101.A OG HIS 78.A NE2 no hydrogen 2.670 N/A LEU 103.A N VAL 81.A O no hydrogen 2.815 N/A VAL 105.A N THR 83.A O no hydrogen 2.920 N/A ARG 109.A NH1 ASP 132.A OD1 no hydrogen 2.778 N/A ARG 109.A NH2 ASP 132.A OD1 no hydrogen 3.446 N/A GLU 111.A N MET 107.A O no hydrogen 3.014 N/A MET 112.A N ARG 108.A O no hydrogen 2.857 N/A ILE 113.A N ARG 109.A O no hydrogen 2.793 N/A SER 114.A N MET 110.A O no hydrogen 2.923 N/A ASP 115.A N GLU 111.A O no hydrogen 2.929 N/A PHE 116.A N MET 112.A O no hydrogen 2.989 N/A SER 117.A N ILE 113.A O no hydrogen 2.784 N/A SER 117.A OG ILE 113.A O no hydrogen 3.144 N/A SER 117.A OG SER 114.A O no hydrogen 2.900 N/A GLU 118.A N ASP 115.A O no hydrogen 3.240 N/A ARG 119.A N PHE 116.A O no hydrogen 3.073 N/A ARG 119.A NE ASP 115.A OD1 no hydrogen 3.268 N/A ARG 119.A NH2 ASP 115.A OD1 no hydrogen 3.169 N/A ARG 119.A NH2 ASP 115.A OD2 no hydrogen 3.244 N/A LEU 122.A N ARG 119.A O no hydrogen 3.112 N/A SER 123.A N ARG 120.A O no hydrogen 2.827 N/A SER 123.A OG ARG 120.A O no hydrogen 3.052 N/A VAL 125.A N LEU 122.A O no hydrogen 2.880 N/A ASP 126.A N THR 45.A O no hydrogen 2.905 N/A TYR 127.A N THR 45.A O no hydrogen 3.310 N/A LEU 128.A N GLY 193.A O no hydrogen 2.855 N/A VAL 129.A N GLY 47.A O no hydrogen 2.798 N/A CYS 130.A N PHE 191.A O no hydrogen 2.839 N/A CYS 130.A SG THR 49.A OG1 no hydrogen 3.410 N/A VAL 131.A N THR 49.A O no hydrogen 3.156 N/A ASP 132.A N ALA 189.A O no hydrogen 3.078 N/A GLU 136.A N THR 263.A O no hydrogen 2.900 N/A PHE 137.A N THR 66.A OG1 no hydrogen 2.885 N/A ARG 138.A N ARG 261.A O no hydrogen 2.799 N/A ARG 138.A NE THR 263.A OG1 no hydrogen 2.872 N/A ARG 138.A NH1 GLN 248.A OE1 no hydrogen 2.707 N/A ARG 138.A NH2 GLN 248.A OE1 no hydrogen 2.876 N/A ASP 139.A N ARG 261.A O no hydrogen 3.220 N/A HIS 140.A N ASP 139.A OD1 no hydrogen 2.766 N/A HIS 140.A NE2 GLU 144.A OE2 no hydrogen 2.672 N/A VAL 141.A N HIS 70.A O no hydrogen 2.964 N/A GLY 142.A N GLU 144.A OE1 no hydrogen 2.916 N/A GLU 144.A N GLU 144.A OE2 no hydrogen 2.792 N/A ILE 145.A N GLY 142.A O no hydrogen 3.042 N/A LEU 146.A N VAL 143.A O no hydrogen 2.971 N/A THR 147.A OG1 THR 237.A OG1 no hydrogen 2.652 N/A LEU 149.A N THR 237.A OG1 no hydrogen 3.012 N/A PHE 150.A N GLY 192.A O no hydrogen 2.831 N/A THR 152.A OG1 PHE 190.A O no hydrogen 2.861 N/A LEU 153.A N LEU 240.A O no hydrogen 2.859 N/A HIS 154.A N TYR 185.A O no hydrogen 2.989 N/A PHE 157.A N HIS 154.A O no hydrogen 3.211 N/A SER 160.A N PHE 157.A O no hydrogen 2.865 N/A ARG 162.A NE GLY 182.A O no hydrogen 2.763 N/A ARG 162.A NH1 GLY 182.A O no hydrogen 2.977 N/A ALA 164.A N SER 161.A O no hydrogen 2.840 N/A PHE 165.A N ARG 162.A O no hydrogen 3.092 N/A THR 166.A OG1 TYR 185.A OH no hydrogen 3.209 N/A TYR 167.A OH PHE 184.A O no hydrogen 2.737 N/A ARG 169.A NH1 ILE 177.A O no hydrogen 2.796 N/A ARG 169.A NH2 ARG 162.A O no hydrogen 2.921 N/A ARG 169.A NH2 PHE 165.A O no hydrogen 2.998 N/A ARG 170.A N GLU 168.A OE2 no hydrogen 2.770 N/A ARG 170.A NE GLU 168.A OE2 no hydrogen 2.966 N/A ARG 170.A NH2 GLU 168.A OE1 no hydrogen 3.065 N/A ARG 170.A NH2 GLU 218.A O no hydrogen 2.706 N/A SER 173.A N ARG 170.A O no hydrogen 3.002 N/A SER 173.A OG ASP 212.A OD2 no hydrogen 2.719 N/A GLN 174.A N ASP 212.A OD1 no hydrogen 2.747 N/A ALA 175.A N SER 173.A OG no hydrogen 3.021 N/A TYR 176.A N SER 173.A O no hydrogen 3.054 N/A ILE 177.A N GLU 168.A O no hydrogen 3.010 N/A LYS 179.A NZ TYR 176.A OH no hydrogen 2.691 N/A GLU 181.A N PRO 178.A O no hydrogen 3.077 N/A TYR 185.A OH GLU 224.A OE2 no hydrogen 2.566 N/A TYR 186.A N ASN 228.A OD1 no hydrogen 2.779 N/A MET 187.A N THR 152.A O no hydrogen 2.853 N/A GLY 188.A N GLU 224.A OE1 no hydrogen 2.818 N/A PHE 191.A N CYS 130.A O no hydrogen 3.135 N/A GLY 192.A N PHE 150.A O no hydrogen 3.213 N/A GLY 193.A N LEU 128.A O no hydrogen 2.883 N/A SER 194.A N PRO 148.A O no hydrogen 2.842 N/A VAL 195.A N ASP 126.A O no hydrogen 3.224 N/A GLU 197.A N SER 194.A OG no hydrogen 3.083 N/A VAL 198.A N SER 194.A O no hydrogen 2.878 N/A GLN 199.A N VAL 195.A O no hydrogen 2.783 N/A ARG 200.A N GLN 196.A O no hydrogen 2.995 N/A ARG 200.A NH1 GLU 197.A OE2 no hydrogen 2.778 N/A LEU 201.A N GLU 197.A O no hydrogen 2.922 N/A THR 202.A N VAL 198.A O no hydrogen 2.938 N/A THR 202.A OG1 VAL 198.A O no hydrogen 2.824 N/A THR 202.A OG1 GLN 199.A O no hydrogen 3.371 N/A ARG 203.A N GLN 199.A O no hydrogen 2.950 N/A ARG 203.A NH1 GLU 118.A OE1 no hydrogen 2.807 N/A ALA 204.A N ARG 200.A O no hydrogen 2.943 N/A CYS 205.A N LEU 201.A O no hydrogen 2.892 N/A CYS 205.A SG LEU 201.A O no hydrogen 3.407 N/A HIS 206.A N THR 202.A O no hydrogen 2.904 N/A GLN 207.A N ARG 203.A O no hydrogen 2.830 N/A ALA 208.A N ALA 204.A O no hydrogen 2.869 N/A MET 209.A N CYS 205.A O no hydrogen 2.951 N/A MET 210.A N HIS 206.A O no hydrogen 2.972 N/A VAL 211.A N GLN 207.A O no hydrogen 3.057 N/A ASP 212.A N ALA 208.A O no hydrogen 3.058 N/A GLN 213.A N MET 209.A O no hydrogen 3.012 N/A ALA 214.A N MET 210.A O no hydrogen 2.953 N/A ASN 215.A N VAL 211.A O no hydrogen 3.014 N/A GLY 216.A N GLN 213.A O no hydrogen 3.110 N/A ILE 217.A N ASP 212.A O no hydrogen 2.918 N/A VAL 220.A N GLU 168.A OE1 no hydrogen 2.796 N/A TRP 221.A N SER 225.A OG no hydrogen 2.916 N/A HIS 222.A N ALA 219.A O no hydrogen 2.925 N/A SER 225.A N HIS 222.A O no hydrogen 2.946 N/A HIS 226.A N HIS 222.A O no hydrogen 3.461 N/A LEU 227.A N ASP 223.A O no hydrogen 2.764 N/A ASN 228.A N GLU 224.A O no hydrogen 2.967 N/A ASN 228.A ND2 TYR 186.A O no hydrogen 2.928 N/A ASN 228.A ND2 GLU 224.A O no hydrogen 2.947 N/A LYS 229.A N SER 225.A O no hydrogen 3.062 N/A LYS 229.A NZ GLN 174.A O no hydrogen 2.849 N/A LYS 229.A NZ TYR 176.A O no hydrogen 2.820 N/A TYR 230.A N HIS 226.A O no hydrogen 2.772 N/A LEU 231.A N LEU 227.A O no hydrogen 2.900 N/A LEU 232.A N ASN 228.A O no hydrogen 2.936 N/A ARG 233.A N LYS 229.A O no hydrogen 3.252 N/A ARG 233.A NH1 GLU 181.A OE1 no hydrogen 2.573 N/A ARG 233.A NH2 GLU 181.A OE1 no hydrogen 3.174 N/A HIS 234.A N TYR 230.A O no hydrogen 2.705 N/A HIS 234.A ND1 TYR 230.A O no hydrogen 3.034 N/A LYS 235.A NZ ASP 183.A OD2 no hydrogen 2.703 N/A LYS 235.A NZ LEU 232.A O no hydrogen 2.782 N/A THR 237.A N LEU 149.A O no hydrogen 2.770 N/A THR 237.A OG1 THR 147.A OG1 no hydrogen 2.652 N/A THR 237.A OG1 LEU 149.A O no hydrogen 3.103 N/A LYS 238.A N LEU 149.A O no hydrogen 3.367 N/A LYS 238.A NZ GLU 144.A O no hydrogen 2.836 N/A LYS 238.A NZ LEU 146.A O no hydrogen 2.690 N/A VAL 239.A N PRO 23.A O no hydrogen 2.902 N/A LEU 240.A N GLY 151.A O no hydrogen 2.862 N/A SER 241.A N VAL 25.A O no hydrogen 3.157 N/A SER 241.A OG VAL 25.A O no hydrogen 2.807 N/A GLU 243.A N SER 241.A OG no hydrogen 3.283 N/A TYR 244.A N SER 241.A O no hydrogen 3.048 N/A TYR 244.A OH GLU 144.A OE1 no hydrogen 2.711 N/A LEU 245.A N PRO 242.A O no hydrogen 3.049 N/A TRP 246.A N PHE 262.A O no hydrogen 2.966 N/A TRP 246.A NE1 GLY 252.A O no hydrogen 2.786 N/A LEU 250.A N ASP 247.A OD1 no hydrogen 2.992 N/A LEU 251.A N ASP 247.A O no hydrogen 2.924 N/A GLY 252.A N GLN 248.A O no hydrogen 2.822 N/A TRP 253.A NE1 LEU 257.A O no hydrogen 2.711 N/A LEU 257.A N PRO 254.A O no hydrogen 2.990 N/A LYS 259.A NZ ASP 139.A OD1 no hydrogen 2.925 N/A ARG 261.A N GLU 243.A O no hydrogen 2.785 N/A ARG 261.A NE GLU 243.A OE2 no hydrogen 2.764 N/A ARG 261.A NH1 HIS 140.A O no hydrogen 2.908 N/A ARG 261.A NH2 GLU 27.A OE2 no hydrogen 2.833 N/A ARG 261.A NH2 GLU 243.A OE2 no hydrogen 2.950 N/A THR 263.A N GLU 136.A O no hydrogen 2.901 N/A ALA 264.A N TRP 246.A O no hydrogen 2.843 N/A VAL 265.A N ASP 134.A O no hydrogen 3.038 N/A LYS 267.A NZ ASP 134.A OD1 no hydrogen 2.737 N/A