Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3hkx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 9.A N ILE 6.A O no hydrogen 3.175 N/A SER 9.A OG LEU 246.A O no hydrogen 2.748 N/A HIS 10.A ND1 ASP 248.A OD1 no hydrogen 2.775 N/A ARG 12.A N GLN 45.A OE1 no hydrogen 2.973 N/A ARG 12.A NE ASP 245.A OD1 no hydrogen 2.742 N/A ARG 12.A NH1 GLY 3.A O no hydrogen 2.931 N/A ARG 12.A NH1 LEU 4.A O no hydrogen 3.440 N/A ARG 12.A NH1 ASP 245.A OD1 no hydrogen 3.348 N/A ARG 12.A NH1 ASP 245.A OD2 no hydrogen 2.913 N/A ARG 12.A NH2 GLY 3.A O no hydrogen 2.844 N/A ARG 12.A NH2 GLN 42.A O no hydrogen 2.863 N/A ILE 13.A N VAL 244.A O no hydrogen 2.916 N/A ALA 14.A N LEU 46.A O no hydrogen 2.854 N/A LEU 15.A N LEU 242.A O no hydrogen 2.769 N/A MET 16.A N LEU 48.A O no hydrogen 2.904 N/A GLN 17.A N GLY 240.A O no hydrogen 2.996 N/A GLN 17.A NE2 GLY 236.A O no hydrogen 2.873 N/A GLN 17.A NE2 GLU 238.A O no hydrogen 2.793 N/A THR 19.A OG1 CYS 210.A O no hydrogen 2.524 N/A ALA 20.A N GLU 213.A OE1 no hydrogen 2.969 N/A ARG 21.A N ASN 28.A OD1 no hydrogen 2.822 N/A LEU 23.A N PHE 55.A O no hydrogen 2.868 N/A ASP 24.A N ARG 21.A O no hydrogen 3.219 N/A HIS 27.A N ASP 24.A OD1 no hydrogen 3.342 N/A ASN 28.A N ASP 24.A O no hydrogen 3.031 N/A ASN 28.A ND2 ARG 21.A O no hydrogen 2.746 N/A ASN 28.A ND2 GLY 54.A O no hydrogen 2.994 N/A LEU 29.A N PRO 25.A O no hydrogen 2.806 N/A ASP 30.A N GLN 26.A O no hydrogen 3.047 N/A LEU 31.A N HIS 27.A O no hydrogen 3.094 N/A ILE 32.A N ASN 28.A O no hydrogen 3.089 N/A ASP 33.A N LEU 29.A O no hydrogen 2.817 N/A ASP 34.A N ASP 30.A O no hydrogen 2.906 N/A ALA 35.A N LEU 31.A O no hydrogen 3.045 N/A ALA 36.A N ILE 32.A O no hydrogen 2.867 N/A ALA 37.A N ASP 33.A O no hydrogen 3.042 N/A ARG 38.A N ASP 34.A O no hydrogen 3.028 N/A ALA 39.A N ALA 35.A O no hydrogen 2.778 N/A SER 40.A N ALA 36.A O no hydrogen 2.905 N/A SER 40.A OG ARG 85.A O no hydrogen 3.366 N/A GLU 41.A N ALA 37.A O no hydrogen 2.902 N/A GLN 42.A N ARG 38.A O no hydrogen 3.122 N/A GLN 42.A N ALA 39.A O no hydrogen 3.106 N/A GLN 42.A NE2 SER 2.A OG no hydrogen 3.124 N/A GLY 43.A N SER 40.A O no hydrogen 2.955 N/A ALA 44.A N ALA 39.A O no hydrogen 3.053 N/A GLN 45.A N ARG 12.A O no hydrogen 2.902 N/A GLN 45.A NE2 GLY 43.A O no hydrogen 2.933 N/A LEU 47.A N ALA 88.A O no hydrogen 2.857 N/A LEU 48.A N ALA 14.A O no hydrogen 2.823 N/A THR 49.A N VAL 90.A O no hydrogen 2.988 N/A THR 49.A OG1 VAL 90.A O no hydrogen 2.833 N/A GLU 51.A N THR 179.A O.A no hydrogen 3.165 N/A GLU 51.A N THR 179.A O.B no hydrogen 3.014 N/A LEU 52.A N SER 92.A OG no hydrogen 3.148 N/A PHE 53.A N PRO 50.A O no hydrogen 3.359 N/A GLY 56.A N PHE 53.A O no hydrogen 3.125 N/A TYR 57.A N GLU 213.A OE2 no hydrogen 2.795 N/A TYR 57.A OH GLU 129.A OE1 no hydrogen 2.523 N/A VAL 58.A N GLY 56.A O no hydrogen 2.915 N/A ILE 62.A N VAL 58.A O no hydrogen 2.977 N/A CYS 63.A N PRO 59.A O no hydrogen 3.012 N/A ALA 64.A N SER 60.A O no hydrogen 3.021 N/A GLN 65.A N GLN 61.A O no hydrogen 2.854 N/A GLN 65.A NE2 GLN 61.A OE1 no hydrogen 2.924 N/A VAL 66.A N ILE 62.A O no hydrogen 2.971 N/A SER 67.A N GLN 70.A OE1 no hydrogen 2.955 N/A GLN 70.A N SER 67.A OG no hydrogen 3.024 N/A VAL 71.A N SER 67.A O no hydrogen 3.000 N/A ASP 72.A N ALA 68.A O no hydrogen 2.891 N/A ALA 73.A N GLU 69.A O no hydrogen 3.043 N/A ALA 74.A N GLN 70.A O no hydrogen 3.152 N/A ARG 75.A N VAL 71.A O no hydrogen 2.924 N/A ARG 75.A NE GLU 107.A OE1 no hydrogen 2.785 N/A ARG 75.A NH2 GLU 107.A OE2 no hydrogen 3.221 N/A SER 76.A N ASP 72.A O no hydrogen 2.903 N/A SER 76.A OG ASP 72.A O no hydrogen 3.526 N/A ARG 77.A N ALA 73.A O no hydrogen 3.027 N/A ARG 77.A NH1 ASP 30.A OD1 no hydrogen 2.654 N/A ARG 77.A NH2 ASP 30.A OD1 no hydrogen 3.011 N/A LEU 78.A N ALA 74.A O no hydrogen 2.887 N/A ARG 79.A N ARG 75.A O no hydrogen 2.998 N/A ARG 79.A NE GLY 113.A O no hydrogen 2.708 N/A ARG 79.A NH2 GLY 113.A O no hydrogen 3.220 N/A GLY 80.A N SER 76.A O no hydrogen 3.062 N/A ILE 81.A N ARG 77.A O no hydrogen 2.823 N/A ALA 82.A N LEU 78.A O no hydrogen 3.048 N/A ARG 83.A N ARG 79.A O no hydrogen 3.110 N/A ASP 84.A N GLY 80.A O no hydrogen 2.762 N/A ARG 85.A N ILE 81.A O no hydrogen 2.861 N/A ARG 85.A NE ASP 33.A OD1 no hydrogen 2.911 N/A ARG 85.A NH2 ASP 33.A OD2 no hydrogen 2.952 N/A GLY 86.A N ARG 83.A O no hydrogen 3.204 N/A ILE 87.A N ALA 82.A O no hydrogen 3.065 N/A ALA 88.A N GLN 45.A O no hydrogen 3.087 N/A LEU 89.A N ALA 109.A O no hydrogen 2.901 N/A VAL 90.A N LEU 47.A O no hydrogen 2.884 N/A TRP 91.A N GLU 107.A O no hydrogen 3.075 N/A SER 92.A OG THR 105.A O no hydrogen 2.724 N/A GLY 95.A N GLY 103.A O no hydrogen 2.845 N/A GLU 97.A N GLU 97.A OE1 no hydrogen 2.745 N/A GLN 101.A N GLY 98.A O no hydrogen 2.844 N/A ARG 102.A N GLY 98.A O no hydrogen 3.004 N/A ARG 102.A NH1 VAL 66.A O no hydrogen 3.128 N/A ARG 102.A NH2 VAL 66.A O no hydrogen 2.803 N/A THR 105.A N LEU 93.A O no hydrogen 2.867 N/A THR 105.A OG1 LEU 93.A O no hydrogen 2.927 N/A ALA 106.A N TYR 119.A O no hydrogen 2.893 N/A GLU 107.A N TRP 91.A O no hydrogen 2.857 N/A LEU 108.A N ALA 117.A O no hydrogen 2.991 N/A ALA 109.A N LEU 89.A O no hydrogen 2.919 N/A ASP 110.A N GLU 114.A O no hydrogen 2.948 N/A HIS 112.A N ASP 110.A OD1 no hydrogen 2.759 N/A GLY 113.A N ASP 110.A O no hydrogen 2.933 N/A GLU 114.A N ASP 110.A OD1 no hydrogen 3.042 N/A LEU 116.A N LEU 108.A O no hydrogen 2.749 N/A SER 118.A OG GLU 107.A OE2 no hydrogen 2.556 N/A TYR 119.A N ALA 106.A O no hydrogen 2.881 N/A TYR 119.A OH ASP 157.A OD2 no hydrogen 2.562 N/A GLN 120.A NE2 VAL 134.A O no hydrogen 2.912 N/A LYS 121.A N ILE 104.A O no hydrogen 2.804 N/A LYS 121.A NZ GLU 51.A OE1 no hydrogen 2.735 N/A LYS 121.A NZ GLU 129.A OE1 no hydrogen 3.079 N/A LYS 121.A NZ GLU 129.A OE2 no hydrogen 2.814 N/A VAL 122.A N TYR 119.A OH no hydrogen 3.273 N/A VAL 122.A N ASP 157.A OD1 no hydrogen 3.322 N/A GLN 123.A N ASP 157.A OD1 no hydrogen 2.910 N/A TYR 125.A N GLU 129.A OE2 no hydrogen 2.849 N/A LYS 130.A N GLY 126.A O no hydrogen 3.075 N/A ALA 131.A N PRO 127.A O no hydrogen 2.912 N/A ALA 132.A N GLU 128.A O no hydrogen 3.072 N/A ALA 132.A N GLU 129.A O no hydrogen 3.101 N/A PHE 133.A N GLU 129.A O no hydrogen 3.047 N/A VAL 134.A N ARG 102.A O no hydrogen 2.975 N/A GLY 136.A N LYS 121.A O no hydrogen 2.750 N/A LEU 143.A N LEU 150.A O no hydrogen 2.838 N/A SER 144.A OG GLN 149.A OE1 no hydrogen 2.550 N/A TRP 145.A N ARG 148.A O no hydrogen 2.891 N/A ARG 148.A N TRP 145.A O no hydrogen 3.229 N/A ARG 148.A NH2 PRO 247.A O no hydrogen 3.276 N/A GLN 149.A N GLN 173.A OE1 no hydrogen 2.948 N/A LEU 150.A N LEU 143.A O no hydrogen 2.790 N/A SER 151.A N LEU 174.A O no hydrogen 2.931 N/A SER 151.A OG PRO 141.A O no hydrogen 2.569 N/A LEU 153.A N LEU 176.A O no hydrogen 3.177 N/A VAL 154.A N ASP 157.A OD2 no hydrogen 3.016 N/A CYS 155.A N PRO 178.A O no hydrogen 2.949 N/A CYS 155.A SG THR 179.A OG1.B no hydrogen 2.613 N/A ASP 157.A N VAL 154.A O no hydrogen 2.976 N/A VAL 158.A N CYS 155.A O no hydrogen 2.952 N/A GLU 159.A N TYR 156.A O no hydrogen 2.964 N/A PHE 160.A N ASP 157.A O no hydrogen 3.062 N/A GLU 162.A N GLU 162.A OE1 no hydrogen 2.692 N/A MET 163.A N PHE 160.A O no hydrogen 3.041 N/A ARG 165.A N PRO 161.A O no hydrogen 2.895 N/A ARG 165.A NH1 GLU 199.A O no hydrogen 2.966 N/A ARG 165.A NH1 ASN 200.A OD1 no hydrogen 2.868 N/A ALA 166.A N GLU 162.A O no hydrogen 2.865 N/A ALA 167.A N MET 163.A O no hydrogen 3.236 N/A ALA 168.A N VAL 164.A O no hydrogen 2.935 N/A ALA 169.A N ARG 165.A O no hydrogen 2.742 N/A ARG 170.A N ALA 167.A O no hydrogen 3.007 N/A ARG 170.A NH1 PRO 140.A O no hydrogen 2.964 N/A GLY 171.A N ALA 168.A O no hydrogen 3.001 N/A ALA 172.A N ALA 167.A O no hydrogen 3.129 N/A GLN 173.A N GLN 149.A O no hydrogen 2.827 N/A LEU 174.A N GLN 149.A O no hydrogen 3.056 N/A VAL 175.A N THR 203.A O no hydrogen 2.918 N/A LEU 176.A N SER 151.A O no hydrogen 2.961 N/A VAL 177.A N ALA 205.A O no hydrogen 2.863 N/A THR 179.A N.A ALA 207.A O no hydrogen 2.952 N/A THR 179.A N.B ALA 207.A O no hydrogen 2.988 N/A THR 179.A OG1.A ALA 207.A O no hydrogen 3.459 N/A THR 179.A OG1.B TYR 206.A OH no hydrogen 3.367 N/A LEU 181.A N ASN 208.A OD1 no hydrogen 2.799 N/A GLY 183.A N VAL 217.A O no hydrogen 3.227 N/A ASP 184.A N ASP 219.A OD1 no hydrogen 2.875 N/A GLU 185.A N ASP 219.A OD2 no hydrogen 2.972 N/A VAL 188.A N GLU 185.A O no hydrogen 3.162 N/A GLY 190.A N THR 186.A O no hydrogen 2.857 N/A ILE 191.A N SER 187.A O no hydrogen 2.873 N/A LEU 192.A N SER 187.A O no hydrogen 2.852 N/A LEU 193.A N VAL 188.A O no hydrogen 2.872 N/A ARG 196.A N LEU 192.A O no hydrogen 2.971 N/A ARG 196.A NE VAL 158.A O no hydrogen 2.902 N/A ARG 196.A NH1 GLU 159.A O no hydrogen 2.855 N/A ARG 196.A NH2 GLU 199.A OE2 no hydrogen 2.828 N/A ALA 197.A N LEU 193.A O no hydrogen 3.136 N/A VAL 198.A N PRO 194.A O no hydrogen 3.029 N/A GLU 199.A N ALA 195.A O no hydrogen 2.773 N/A ASN 200.A ND2 ARG 196.A O no hydrogen 3.047 N/A GLY 201.A N VAL 198.A O no hydrogen 3.211 N/A ILE 202.A N ALA 197.A O no hydrogen 3.016 N/A THR 203.A N GLN 173.A O no hydrogen 3.016 N/A LEU 204.A N VAL 225.A O no hydrogen 2.977 N/A ALA 205.A N VAL 175.A O no hydrogen 2.909 N/A TYR 206.A N VAL 223.A O no hydrogen 2.896 N/A ALA 207.A N VAL 177.A O no hydrogen 3.153 N/A ASN 208.A N SER 222.A OG no hydrogen 2.880 N/A ASN 208.A ND2 LEU 181.A O no hydrogen 3.078 N/A ASN 208.A ND2 GLY 220.A O no hydrogen 2.915 N/A HIS 209.A ND1 GLU 213.A OE1 no hydrogen 2.579 N/A HIS 209.A NE2 GLU 51.A O no hydrogen 2.710 N/A GLY 211.A N.A PHE 218.A O no hydrogen 3.171 N/A GLY 211.A N.B PHE 218.A O no hydrogen 2.924 N/A GLU 213.A N LEU 216.A O no hydrogen 2.900 N/A LEU 216.A N GLU 213.A O no hydrogen 3.051 N/A PHE 218.A N GLY 211.A O.B no hydrogen 2.416 N/A ASP 219.A N LEU 181.A O no hydrogen 3.099 N/A GLY 220.A N HIS 209.A O no hydrogen 3.087 N/A GLY 221.A N GLY 236.A O no hydrogen 2.875 N/A SER 222.A N GLN 17.A OE1 no hydrogen 2.934 N/A SER 222.A OG GLN 17.A OE1 no hydrogen 2.630 N/A VAL 223.A N TYR 206.A O no hydrogen 3.030 N/A VAL 224.A N GLY 233.A O no hydrogen 3.130 N/A VAL 225.A N LEU 204.A O no hydrogen 2.911 N/A GLY 226.A N GLN 230.A O no hydrogen 3.060 N/A GLY 229.A N GLY 226.A O no hydrogen 2.873 N/A LEU 232.A N VAL 224.A O no hydrogen 2.751 N/A LEU 235.A N SER 222.A O no hydrogen 2.896 N/A GLY 240.A N GLN 17.A O no hydrogen 2.947 N/A LEU 242.A N LEU 15.A O no hydrogen 2.906 N/A VAL 244.A N ILE 13.A O no hydrogen 2.930 N/A LEU 246.A N MET 11.A O no hydrogen 2.922 N/A ASP 248.A N GLY 8.A O no hydrogen 3.024 N/A GLN 252.A N ASP 249.A OD1 no hydrogen 3.213 N/A ASP 253.A N ASP 249.A O no hydrogen 2.892 N/A ARG 254.A N TYR 250.A O no hydrogen 3.071 N/A ARG 254.A NE LEU 251.A O no hydrogen 3.022 N/A LEU 258.A N ARG 255.A O no hydrogen 3.010 N/A HIS 259.A N ARG 255.A O no hydrogen 2.988 N/A ARG 260.A N ALA 256.A O no hydrogen 2.956 N/A ASN 261.A N LEU 258.A O no hydrogen 2.948 N/A TRP 262.A N HIS 259.A O no hydrogen 2.993 N/A