Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3aof_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 3.A N ASP 1.A OD1 no hydrogen 2.874 N/A ARG 5.A N ASP 1.A O no hydrogen 2.954 N/A ARG 5.A NH1 LYS 160.A O no hydrogen 2.841 N/A ARG 5.A NH1 THR 162.A OG1 no hydrogen 2.894 N/A ARG 5.A NH2 LYS 160.A O no hydrogen 3.206 N/A ASN 6.A N PRO 2.A O no hydrogen 2.861 N/A ASN 6.A ND2 ILE 246.A O no hydrogen 2.949 N/A LYS 7.A N PHE 3.A O no hydrogen 3.104 N/A ILE 8.A N GLU 4.A O no hydrogen 3.024 N/A LEU 9.A N ARG 5.A O no hydrogen 2.946 N/A GLY 10.A N ASN 6.A O no hydrogen 3.158 N/A ARG 11.A NE GLU 274.A OE2 no hydrogen 2.827 N/A ARG 11.A NH1 LEU 307.A O no hydrogen 2.716 N/A GLY 12.A N LEU 280.A O no hydrogen 2.730 N/A ILE 13.A N HIS 46.A O no hydrogen 3.233 N/A ASN 14.A N TYR 282.A O no hydrogen 2.863 N/A ASN 14.A ND2 GLY 249.A O no hydrogen 2.973 N/A ASN 14.A ND2 TYR 282.A O no hydrogen 3.073 N/A ILE 15.A N ARG 48.A O no hydrogen 2.990 N/A ASN 17.A N GLU 20.A OE2 no hydrogen 2.696 N/A ALA 18.A N GLU 20.A OE1 no hydrogen 2.926 N/A GLU 20.A N GLU 20.A OE1 no hydrogen 2.720 N/A ALA 21.A N ALA 18.A O no hydrogen 3.280 N/A ASN 23.A N ASP 26.A OD2 no hydrogen 2.974 N/A ASN 23.A ND2 ASP 26.A OD2 no hydrogen 3.102 N/A ASP 26.A N ASN 23.A O no hydrogen 2.942 N/A GLY 28.A N GLY 25.A O no hydrogen 3.003 N/A VAL 29.A N ASN 17.A O no hydrogen 3.065 N/A ILE 31.A N GLU 24.A OE2 no hydrogen 2.878 N/A PHE 35.A N LYS 32.A O no hydrogen 2.946 N/A PHE 36.A N ASP 33.A O no hydrogen 3.107 N/A ILE 38.A N GLU 34.A O no hydrogen 3.059 N/A ILE 39.A N PHE 35.A O no hydrogen 2.890 N/A LYS 40.A N PHE 36.A O no hydrogen 3.023 N/A LYS 40.A NZ ARG 83.A O no hydrogen 2.674 N/A GLU 41.A N ASP 37.A O no hydrogen 2.892 N/A ALA 42.A N ILE 38.A O no hydrogen 3.151 N/A GLY 43.A N LYS 40.A O no hydrogen 3.031 N/A PHE 44.A N ILE 39.A O no hydrogen 3.340 N/A SER 45.A N ARG 11.A O no hydrogen 2.719 N/A SER 45.A OG ILE 8.A O no hydrogen 2.679 N/A SER 45.A OG LEU 9.A O no hydrogen 2.982 N/A HIS 46.A N ARG 11.A O no hydrogen 3.247 N/A HIS 46.A ND1 LEU 9.A O no hydrogen 2.758 N/A HIS 46.A NE2 TYR 247.A OH no hydrogen 2.815 N/A VAL 47.A N ALA 86.A O no hydrogen 3.020 N/A ARG 48.A N ILE 13.A O no hydrogen 2.976 N/A ARG 48.A NE GLU 129.A OE2 no hydrogen 2.788 N/A ARG 48.A NH1 ASN 14.A OD1 no hydrogen 2.825 N/A ARG 48.A NH1 GLU 250.A OE2 no hydrogen 2.853 N/A ARG 48.A NH2 GLU 129.A OE1 no hydrogen 2.956 N/A ARG 48.A NH2 GLU 129.A OE2 no hydrogen 3.253 N/A ARG 48.A NH2 ASN 132.A OD1 no hydrogen 2.796 N/A ILE 49.A N VAL 88.A O no hydrogen 2.813 N/A ARG 52.A N LEU 19.A O no hydrogen 2.960 N/A ARG 52.A NE GLU 20.A O no hydrogen 2.815 N/A ARG 52.A NH2 GLU 20.A O no hydrogen 2.967 N/A TRP 53.A NE1 ASN 90.A O no hydrogen 2.845 N/A THR 55.A N ARG 52.A O no hydrogen 3.337 N/A HIS 56.A N TRP 53.A O no hydrogen 2.852 N/A HIS 56.A ND1 ARG 52.A O no hydrogen 3.239 N/A TYR 58.A N LYS 64.A O no hydrogen 2.942 N/A TYR 63.A N PHE 60.A O no hydrogen 2.781 N/A ILE 65.A N GLN 114.A OE1 no hydrogen 2.863 N/A MET 66.A N HIS 56.A O no hydrogen 2.761 N/A PHE 70.A N MET 66.A O no hydrogen 3.076 N/A LYS 71.A N ASP 67.A O no hydrogen 2.993 N/A ARG 72.A N ARG 68.A O no hydrogen 3.001 N/A ARG 72.A NE GLU 24.A OE1 no hydrogen 2.885 N/A ARG 72.A NH1 GLU 75.A OE1 no hydrogen 2.880 N/A ARG 72.A NH2 GLU 24.A OE1 no hydrogen 3.430 N/A ARG 72.A NH2 GLU 24.A OE2 no hydrogen 2.793 N/A ARG 72.A NH2 ILE 31.A O no hydrogen 2.849 N/A VAL 73.A N PHE 69.A O no hydrogen 2.942 N/A ASP 74.A N PHE 70.A O no hydrogen 2.950 N/A GLU 75.A N LYS 71.A O no hydrogen 3.003 N/A VAL 76.A N ARG 72.A O no hydrogen 3.017 N/A ILE 77.A N VAL 73.A O no hydrogen 2.931 N/A ASN 78.A N ASP 74.A O no hydrogen 2.888 N/A ASN 78.A ND2 ASP 74.A O no hydrogen 2.991 N/A ASN 78.A ND2 TYR 122.A OH no hydrogen 3.022 N/A GLY 79.A N GLU 75.A O no hydrogen 2.909 N/A ALA 80.A N VAL 76.A O no hydrogen 3.114 N/A LEU 81.A N ILE 77.A O no hydrogen 2.943 N/A LYS 82.A N ASN 78.A O no hydrogen 2.909 N/A ARG 83.A N ALA 80.A O no hydrogen 3.040 N/A ARG 83.A NE ASP 37.A OD1 no hydrogen 2.822 N/A ARG 83.A NH1 ASP 33.A OD1 no hydrogen 3.286 N/A ARG 83.A NH1 ASP 33.A OD2 no hydrogen 2.974 N/A ARG 83.A NH1 GLY 79.A O no hydrogen 2.869 N/A ARG 83.A NH2 ASP 33.A OD1 no hydrogen 2.757 N/A ARG 83.A NH2 ASP 37.A OD1 no hydrogen 3.535 N/A ARG 83.A NH2 ASP 37.A OD2 no hydrogen 2.933 N/A GLY 84.A N LEU 81.A O no hydrogen 2.937 N/A LEU 85.A N ALA 80.A O no hydrogen 3.268 N/A ALA 86.A N SER 45.A O no hydrogen 2.915 N/A VAL 87.A N THR 125.A O no hydrogen 2.949 N/A VAL 88.A N VAL 47.A O no hydrogen 2.938 N/A ILE 89.A N PHE 127.A O no hydrogen 3.109 N/A HIS 92.A N ILE 51.A O no hydrogen 2.904 N/A HIS 93.A ND1 GLU 20.A O no hydrogen 3.300 N/A TYR 94.A OH HIS 104.A ND1 no hydrogen 2.746 N/A GLU 96.A N GLU 96.A OE1 no hydrogen 2.855 N/A ASN 99.A N GLU 95.A O no hydrogen 3.045 N/A ASP 100.A N GLU 96.A O no hydrogen 2.787 N/A GLU 103.A N ASP 100.A OD1 no hydrogen 3.026 N/A HIS 104.A N ASP 100.A O no hydrogen 3.329 N/A HIS 104.A ND1 TYR 94.A OH no hydrogen 2.746 N/A LYS 105.A NZ GLU 149.A OE2 no hydrogen 3.015 N/A ARG 107.A NE TYR 58.A O no hydrogen 2.947 N/A ARG 107.A NH1 TYR 94.A OH no hydrogen 2.907 N/A ARG 107.A NH2 SER 54.A O no hydrogen 2.761 N/A ARG 107.A NH2 ALA 57.A O no hydrogen 2.824 N/A ARG 107.A NH2 TYR 58.A O no hydrogen 3.441 N/A PHE 108.A N HIS 104.A O no hydrogen 2.903 N/A LEU 109.A N LYS 105.A O no hydrogen 2.955 N/A ALA 110.A N GLU 106.A O no hydrogen 2.872 N/A LEU 111.A N ARG 107.A O no hydrogen 2.914 N/A TRP 112.A N PHE 108.A O no hydrogen 3.130 N/A TRP 112.A NE1 ILE 130.A O no hydrogen 2.827 N/A LYS 113.A N LEU 109.A O no hydrogen 2.945 N/A GLN 114.A N ALA 110.A O no hydrogen 3.087 N/A GLN 114.A NE2 TYR 63.A O no hydrogen 2.858 N/A GLN 114.A NE2 ALA 110.A O no hydrogen 3.108 N/A ILE 115.A N LEU 111.A O no hydrogen 2.863 N/A ALA 116.A N TRP 112.A O no hydrogen 2.845 N/A ASP 117.A N LYS 113.A O no hydrogen 2.933 N/A ARG 118.A N GLN 114.A O no hydrogen 2.913 N/A ARG 118.A NE ASP 74.A OD1 no hydrogen 3.166 N/A ARG 118.A NE ASP 74.A OD2 no hydrogen 3.251 N/A ARG 118.A NH2 ASP 74.A OD2 no hydrogen 2.830 N/A TYR 119.A N ILE 115.A O no hydrogen 3.032 N/A TYR 119.A OH ASP 74.A OD1 no hydrogen 2.695 N/A LYS 120.A NZ ASP 117.A O no hydrogen 3.119 N/A TYR 122.A N TYR 119.A O no hydrogen 2.938 N/A LEU 126.A N PRO 123.A O no hydrogen 3.151 N/A PHE 127.A N VAL 87.A O no hydrogen 2.758 N/A PHE 128.A N THR 162.A O no hydrogen 3.100 N/A GLU 129.A N ILE 89.A O no hydrogen 2.816 N/A ILE 130.A N ILE 164.A O no hydrogen 3.032 N/A ASN 132.A N ILE 91.A O no hydrogen 2.868 N/A HIS 135.A ND1 ALA 133.A O no hydrogen 2.817 N/A LEU 138.A N MET 98.A O no hydrogen 3.195 N/A LEU 138.A N HIS 135.A O no hydrogen 3.237 N/A LYS 142.A N THR 139.A OG1 no hydrogen 3.260 N/A TRP 143.A N THR 139.A O no hydrogen 2.774 N/A TRP 143.A NE1 GLY 166.A O no hydrogen 2.852 N/A ASN 144.A N PRO 140.A O no hydrogen 3.047 N/A ASN 144.A ND2 LYS 178.A O no hydrogen 2.848 N/A GLU 145.A N GLU 141.A O no hydrogen 3.440 N/A LEU 146.A N LYS 142.A O no hydrogen 2.868 N/A LEU 147.A N TRP 143.A O no hydrogen 2.771 N/A GLU 148.A N ASN 144.A O no hydrogen 3.403 N/A GLU 149.A N GLU 145.A O no hydrogen 3.111 N/A ALA 150.A N LEU 146.A O no hydrogen 2.907 N/A LEU 151.A N LEU 147.A O no hydrogen 2.860 N/A LYS 152.A N GLU 148.A O no hydrogen 2.965 N/A VAL 153.A N GLU 149.A O no hydrogen 3.053 N/A ILE 154.A N ALA 150.A O no hydrogen 2.882 N/A ARG 155.A N LEU 151.A O no hydrogen 2.819 N/A ARG 155.A NE GLU 185.A OE1 no hydrogen 2.932 N/A ARG 155.A NH1 ASP 158.A O no hydrogen 3.007 N/A ARG 155.A NH1 HIS 161.A O no hydrogen 2.804 N/A ARG 155.A NH2 HIS 161.A O no hydrogen 3.015 N/A ARG 155.A NH2 GLU 185.A OE2 no hydrogen 2.958 N/A SER 156.A N LYS 152.A O no hydrogen 3.000 N/A SER 156.A N VAL 153.A O no hydrogen 3.263 N/A SER 156.A OG VAL 153.A O no hydrogen 2.646 N/A ILE 157.A N ILE 154.A O no hydrogen 2.998 N/A ASP 158.A N ILE 154.A O no hydrogen 2.773 N/A LYS 160.A N ASP 158.A OD1 no hydrogen 2.750 N/A HIS 161.A N ASP 158.A OD1 no hydrogen 2.925 N/A HIS 161.A ND1 ASP 158.A OD2 no hydrogen 2.541 N/A HIS 161.A NE2 TYR 122.A O no hydrogen 2.902 N/A HIS 161.A NE2 PRO 123.A O no hydrogen 2.866 N/A ILE 163.A N ASN 187.A O no hydrogen 3.108 N/A ILE 164.A N PHE 128.A O no hydrogen 2.771 N/A ILE 165.A N ILE 189.A O no hydrogen 2.839 N/A THR 167.A OG1 GLY 172.A O no hydrogen 2.777 N/A TRP 170.A N PRO 134.A O no hydrogen 2.876 N/A GLY 171.A N ALA 168.A O no hydrogen 3.062 N/A SER 174.A OG GLU 169.A OE1 no hydrogen 2.842 N/A LEU 176.A N ILE 173.A O no hydrogen 3.106 N/A LYS 178.A N ALA 175.A O no hydrogen 3.049 N/A LYS 178.A NZ GLU 169.A OE2 no hydrogen 3.009 N/A LEU 179.A N LEU 176.A O no hydrogen 2.981 N/A SER 180.A N ASN 144.A OD1 no hydrogen 2.926 N/A TRP 184.A NE1 GLU 148.A OE2 no hydrogen 2.925 N/A GLU 185.A N PRO 182.A O no hydrogen 3.121 N/A LYS 186.A NZ LYS 183.A O no hydrogen 3.170 N/A ASN 187.A N GLU 185.A OE2 no hydrogen 2.904 N/A ASN 187.A ND2 THR 162.A OG1 no hydrogen 2.777 N/A SER 188.A OG ILE 163.A O no hydrogen 3.521 N/A SER 188.A OG GLU 185.A OE2 no hydrogen 2.837 N/A ILE 189.A N ILE 163.A O no hydrogen 2.840 N/A VAL 190.A N PRO 245.A O no hydrogen 2.914 N/A THR 191.A N ILE 165.A O no hydrogen 2.862 N/A THR 191.A OG1 TYR 247.A O no hydrogen 2.824 N/A ILE 192.A N TYR 247.A O no hydrogen 2.989 N/A HIS 193.A N GLY 171.A O no hydrogen 2.819 N/A TYR 194.A N GLU 250.A O no hydrogen 2.869 N/A TYR 194.A OH GLU 231.A OE1 no hydrogen 2.609 N/A TYR 195.A OH GLU 250.A OE1 no hydrogen 2.653 N/A ASN 196.A ND2 GLU 231.A OE1 no hydrogen 2.884 N/A ASN 196.A ND2 GLU 231.A OE2 no hydrogen 3.545 N/A THR 201.A N PRO 197.A O no hydrogen 3.064 N/A THR 201.A OG1 TYR 195.A O no hydrogen 2.667 N/A THR 201.A OG1 PHE 198.A O no hydrogen 3.440 N/A HIS 202.A N PHE 198.A O no hydrogen 2.926 N/A GLY 204.A N SER 211.A O no hydrogen 3.070 N/A ALA 205.A N HIS 202.A O no hydrogen 3.025 N/A GLU 206.A N GLU 206.A OE2 no hydrogen 2.531 N/A VAL 208.A N ALA 205.A O no hydrogen 2.961 N/A SER 211.A N VAL 208.A O no hydrogen 3.216 N/A SER 211.A OG ALA 205.A O no hydrogen 2.742 N/A SER 211.A OG VAL 208.A O no hydrogen 3.143 N/A LYS 213.A N GLY 210.A O no hydrogen 3.280 N/A TRP 214.A N SER 211.A O no hydrogen 2.937 N/A LEU 215.A N GLU 212.A O no hydrogen 3.394 N/A ARG 217.A N TRP 214.A O no hydrogen 3.050 N/A TRP 219.A N SER 261.A OG no hydrogen 3.008 N/A GLY 220.A N ASP 224.A OD2 no hydrogen 2.920 N/A SER 221.A N ASP 224.A OD2 no hydrogen 3.062 N/A ASP 224.A N SER 221.A OG no hydrogen 3.025 N/A GLN 225.A N SER 221.A O no hydrogen 3.096 N/A GLN 225.A NE2 GLY 220.A O no hydrogen 2.987 N/A GLN 225.A NE2 SER 221.A O no hydrogen 3.466 N/A LYS 226.A N PRO 222.A O no hydrogen 2.965 N/A HIS 227.A N ASP 223.A O no hydrogen 3.023 N/A LEU 228.A N ASP 224.A O no hydrogen 3.242 N/A ILE 229.A N GLN 225.A O no hydrogen 2.944 N/A GLU 230.A N LYS 226.A O no hydrogen 2.986 N/A GLU 231.A N HIS 227.A O no hydrogen 3.197 N/A PHE 232.A N LEU 228.A O no hydrogen 2.917 N/A ASN 233.A N ILE 229.A O no hydrogen 2.786 N/A PHE 234.A N GLU 230.A O no hydrogen 3.032 N/A ILE 235.A N GLU 231.A O no hydrogen 3.092 N/A GLU 236.A N PHE 232.A O no hydrogen 2.905 N/A GLU 237.A N ASN 233.A O no hydrogen 2.876 N/A TRP 238.A N PHE 234.A O no hydrogen 3.060 N/A SER 239.A N ILE 235.A O no hydrogen 2.897 N/A SER 239.A OG ARG 244.A O no hydrogen 2.668 N/A LYS 240.A N GLU 236.A O no hydrogen 2.937 N/A LYS 241.A N GLU 237.A O no hydrogen 2.949 N/A ASN 242.A N TRP 238.A O no hydrogen 2.860 N/A ARG 244.A N SER 239.A O no hydrogen 3.286 N/A ARG 244.A NH1 GLU 185.A O no hydrogen 2.838 N/A ARG 244.A NH2 VAL 181.A O no hydrogen 3.277 N/A ARG 244.A NH2 PRO 182.A O no hydrogen 3.000 N/A ARG 244.A NH2 GLU 185.A O no hydrogen 3.306 N/A TYR 247.A N VAL 190.A O no hydrogen 2.886 N/A TYR 247.A OH HIS 46.A NE2 no hydrogen 2.815 N/A ILE 248.A N SER 279.A O no hydrogen 2.862 N/A GLY 249.A N ILE 192.A O no hydrogen 3.072 N/A TYR 254.A N THR 201.A O no hydrogen 2.844 N/A TYR 254.A OH GLU 206.A OE2 no hydrogen 2.742 N/A ARG 255.A N GLY 288.A O no hydrogen 2.977 N/A LYS 256.A NZ GLY 204.A O no hydrogen 2.829 N/A LYS 256.A NZ GLU 206.A OE1 no hydrogen 2.814 N/A ALA 257.A N TYR 254.A O no hydrogen 2.983 N/A SER 261.A N ASP 258.A OD2 no hydrogen 2.814 N/A SER 261.A OG TRP 219.A O no hydrogen 3.436 N/A SER 261.A OG ASP 258.A OD1 no hydrogen 2.793 N/A SER 261.A OG ASP 258.A OD2 no hydrogen 3.042 N/A ARG 262.A N ASP 258.A O no hydrogen 2.951 N/A ARG 262.A NE ALA 253.A O no hydrogen 2.921 N/A ARG 262.A NH2 ALA 253.A O no hydrogen 3.104 N/A ILE 263.A N LEU 259.A O no hydrogen 2.891 N/A LYS 264.A N GLU 260.A O no hydrogen 3.062 N/A TRP 265.A N SER 261.A O no hydrogen 2.919 N/A TRP 265.A NE1 ASN 196.A O no hydrogen 2.887 N/A THR 266.A N ARG 262.A O no hydrogen 2.914 N/A THR 266.A OG1 ARG 262.A O no hydrogen 2.725 N/A SER 267.A N ILE 263.A O no hydrogen 2.870 N/A SER 267.A OG ILE 263.A O no hydrogen 2.972 N/A SER 267.A OG LYS 264.A O no hydrogen 3.124 N/A PHE 268.A N LYS 264.A O no hydrogen 2.977 N/A VAL 269.A N TRP 265.A O no hydrogen 2.917 N/A VAL 270.A N THR 266.A O no hydrogen 3.101 N/A ARG 271.A N SER 267.A O no hydrogen 3.053 N/A ARG 271.A NH1 SER 267.A OG no hydrogen 3.296 N/A GLU 272.A N PHE 268.A O no hydrogen 3.017 N/A MET 273.A N VAL 269.A O no hydrogen 2.850 N/A GLU 274.A N VAL 270.A O no hydrogen 2.924 N/A LYS 275.A N ARG 271.A O no hydrogen 3.064 N/A LYS 275.A NZ GLU 272.A OE2 no hydrogen 2.937 N/A ARG 276.A N MET 273.A O no hydrogen 3.034 N/A ARG 276.A NH1 GLU 272.A O no hydrogen 2.847 N/A ARG 276.A NH1 GLU 272.A OE1 no hydrogen 2.894 N/A ARG 276.A NH2 ASN 233.A OD1 no hydrogen 2.933 N/A ARG 277.A N GLU 274.A O no hydrogen 2.930 N/A TRP 278.A N MET 273.A O no hydrogen 3.173 N/A TRP 278.A NE1 GLU 236.A OE2 no hydrogen 2.951 N/A SER 279.A N ILE 246.A O no hydrogen 3.197 N/A SER 279.A OG ASN 6.A OD1 no hydrogen 2.613 N/A SER 279.A OG ILE 246.A O no hydrogen 3.349 N/A LEU 280.A N GLY 10.A O no hydrogen 3.158 N/A ALA 281.A N ILE 248.A O no hydrogen 2.829 N/A TYR 282.A N GLY 12.A O no hydrogen 3.077 N/A TYR 282.A OH PHE 289.A O no hydrogen 2.698 N/A TRP 283.A N PHE 251.A O no hydrogen 2.807 N/A PHE 285.A N ASN 14.A O no hydrogen 2.906 N/A CYS 286.A N GLU 284.A OE1 no hydrogen 3.014 N/A SER 287.A N GLU 284.A OE1 no hydrogen 2.785 N/A SER 287.A N GLU 284.A OE2 no hydrogen 3.070 N/A SER 287.A OG ASN 17.A OD1 no hydrogen 2.728 N/A PHE 289.A N GLU 284.A OE2 no hydrogen 2.747 N/A GLY 290.A N SER 287.A O no hydrogen 2.897 N/A VAL 291.A N PHE 285.A O no hydrogen 2.970 N/A TYR 292.A N PHE 285.A O no hydrogen 2.990 N/A ASP 293.A N THR 298.A O no hydrogen 2.826 N/A LEU 295.A N ASP 293.A OD1 no hydrogen 2.963 N/A ARG 296.A N ASP 293.A OD1 no hydrogen 2.990 N/A LYS 297.A NZ GLU 34.A OE1 no hydrogen 3.128 N/A THR 298.A N ASP 293.A O no hydrogen 3.263 N/A ASN 300.A N VAL 291.A O no hydrogen 2.822 N/A LYS 301.A NZ TRP 299.A O no hydrogen 3.045 N/A LEU 303.A N ASN 300.A OD1 no hydrogen 2.823 N/A LEU 304.A N ASN 300.A O no hydrogen 2.859 N/A GLU 305.A N LYS 301.A O no hydrogen 2.955 N/A ALA 306.A N ASP 302.A O no hydrogen 2.983 N/A LEU 307.A N LEU 303.A O no hydrogen 3.035 N/A ILE 308.A N LEU 304.A O no hydrogen 2.791 N/A