Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8khl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NH1 GLY 177.A O no hydrogen 3.436 N/A GLN 4.A N ASN 2.A OD1 no hydrogen 2.581 N/A ARG 7.A N ASP 29.A OD2 no hydrogen 2.825 N/A ARG 7.A NH1 ASP 29.A OD1 no hydrogen 2.811 N/A ARG 7.A NH1 ASP 29.A OD2 no hydrogen 3.455 N/A SER 8.A OG HIS 222.A NE2 no hydrogen 2.548 N/A ALA 9.A N LEU 210.A O no hydrogen 3.108 N/A LEU 10.A N ARG 30.A O no hydrogen 2.831 N/A PHE 11.A N CYS 212.A O no hydrogen 2.917 N/A VAL 12.A N ILE 32.A O no hydrogen 2.836 N/A ALA 14.A N ASP 34.A O no hydrogen 2.952 N/A ARG 16.A N PRO 13.A O no hydrogen 3.002 N/A ARG 16.A NE GLU 18.A OE2 no hydrogen 2.718 N/A GLU 18.A N GLU 18.A OE1 no hydrogen 2.657 N/A ARG 19.A N ARG 16.A O no hydrogen 2.882 N/A ILE 20.A N PRO 17.A O no hydrogen 3.169 N/A ALA 23.A N ARG 19.A O no hydrogen 2.866 N/A LEU 24.A N ILE 20.A O no hydrogen 3.078 N/A ALA 25.A N PRO 21.A O no hydrogen 2.814 N/A SER 26.A N ALA 23.A O no hydrogen 3.365 N/A SER 26.A OG ALA 23.A O no hydrogen 2.746 N/A GLY 27.A N LEU 24.A O no hydrogen 3.445 N/A ALA 28.A N SER 26.A OG no hydrogen 3.366 N/A ASP 29.A N SER 8.A OG no hydrogen 3.050 N/A ARG 30.A N SER 8.A O no hydrogen 2.915 N/A ARG 30.A NH1 ASP 29.A O no hydrogen 2.816 N/A ILE 32.A N LEU 10.A O no hydrogen 2.760 N/A VAL 33.A N LEU 64.A O no hydrogen 2.808 N/A ASP 34.A N VAL 12.A O no hydrogen 2.840 N/A LEU 35.A N ARG 66.A O no hydrogen 3.027 N/A GLU 36.A N ASP 34.A OD1 no hydrogen 2.849 N/A ASP 37.A N GLU 36.A OE1 no hydrogen 2.798 N/A ALA 38.A N ASP 34.A OD2 no hydrogen 2.820 N/A VAL 39.A N GLU 36.A O no hydrogen 2.989 N/A GLU 40.A N GLU 40.A OE1 no hydrogen 2.738 N/A LEU 43.A N GLU 40.A O no hydrogen 2.756 N/A LYS 44.A N GLU 41.A O no hydrogen 3.250 N/A LYS 44.A NZ LEU 35.A O no hydrogen 3.188 N/A LYS 44.A NZ GLU 36.A O no hydrogen 2.716 N/A LYS 44.A NZ VAL 39.A O no hydrogen 3.222 N/A LYS 44.A NZ ASN 68.A OD1 no hydrogen 2.794 N/A ALA 47.A N LEU 43.A O no hydrogen 2.836 N/A ARG 48.A N LYS 44.A O no hydrogen 2.974 N/A ARG 48.A NE ASP 78.A OD1 no hydrogen 2.732 N/A ARG 48.A NH2 ASP 78.A OD1 no hydrogen 2.855 N/A ALA 49.A N VAL 45.A O no hydrogen 3.213 N/A ASN 50.A N GLU 46.A O no hydrogen 2.804 N/A ASN 50.A ND2 ALA 14.A O no hydrogen 3.243 N/A LEU 51.A N ALA 47.A O no hydrogen 2.924 N/A ARG 52.A N ARG 48.A O no hydrogen 2.840 N/A ARG 53.A N ALA 49.A O no hydrogen 2.949 N/A PHE 54.A N ASN 50.A O no hydrogen 3.160 N/A LEU 55.A N LEU 51.A O no hydrogen 3.138 N/A VAL 56.A N ARG 52.A O no hydrogen 3.065 N/A ASP 57.A N ARG 53.A O no hydrogen 2.661 N/A THR 58.A N LEU 55.A O no hydrogen 3.300 N/A THR 58.A OG1 PHE 54.A O no hydrogen 2.691 N/A GLU 60.A N GLU 60.A OE1 no hydrogen 2.552 N/A ALA 61.A N THR 58.A O no hydrogen 2.950 N/A VAL 63.A N GLY 87.A O no hydrogen 2.766 N/A LEU 64.A N VAL 31.A O no hydrogen 2.836 N/A VAL 65.A N GLY 90.A O no hydrogen 3.216 N/A ARG 66.A N VAL 33.A O no hydrogen 3.056 N/A ARG 66.A NE ASP 34.A OD1 no hydrogen 2.795 N/A ARG 66.A NH2 ASP 34.A OD2 no hydrogen 2.781 N/A ILE 67.A N LEU 92.A O no hydrogen 3.289 N/A ASN 68.A N ASP 78.A OD2 no hydrogen 2.868 N/A ASN 68.A ND2 LEU 35.A O no hydrogen 3.093 N/A ASN 68.A ND2 ASP 78.A OD2 no hydrogen 2.627 N/A HIS 72.A N ALA 69.A O no hydrogen 3.063 N/A HIS 72.A NE2 GLU 41.A OE1 no hydrogen 2.664 N/A GLY 74.A N HIS 72.A ND1 no hydrogen 2.915 N/A HIS 75.A N HIS 72.A O no hydrogen 2.982 N/A HIS 75.A ND1 ASN 68.A O no hydrogen 2.644 N/A ASP 78.A N GLY 74.A O no hydrogen 2.856 N/A LEU 79.A N HIS 75.A O no hydrogen 2.904 N/A ALA 80.A N ALA 76.A O no hydrogen 2.805 N/A LEU 81.A N ASP 77.A O no hydrogen 3.154 N/A CYS 82.A N ASP 78.A O no hydrogen 3.107 N/A CYS 82.A SG ASP 78.A O no hydrogen 3.353 N/A ARG 83.A N LEU 79.A O no hydrogen 2.816 N/A ASP 84.A N ALA 80.A O no hydrogen 2.974 N/A ASP 84.A N LEU 81.A O no hydrogen 3.378 N/A HIS 85.A ND1 LEU 81.A O no hydrogen 3.138 N/A VAL 88.A N HIS 85.A O no hydrogen 2.929 N/A ILE 89.A N VAL 63.A O no hydrogen 3.056 N/A LEU 91.A N PRO 112.A O no hydrogen 2.872 N/A LEU 92.A N VAL 65.A O no hydrogen 2.820 N/A LEU 93.A N TRP 114.A O no hydrogen 2.908 N/A LYS 95.A NZ GLU 36.A OE2 no hydrogen 2.758 N/A LYS 95.A NZ ASP 37.A OD2 no hydrogen 2.775 N/A GLU 97.A N GLN 101.A OE1 no hydrogen 2.867 N/A ALA 99.A N GLU 128.A OE1 no hydrogen 3.429 N/A GLN 101.A N SER 98.A OG no hydrogen 3.038 N/A VAL 102.A N SER 98.A O no hydrogen 3.476 N/A ARG 103.A N ALA 99.A O no hydrogen 2.853 N/A HIS 104.A N ALA 100.A O no hydrogen 2.933 N/A ALA 105.A N GLN 101.A O no hydrogen 3.140 N/A ALA 106.A N VAL 102.A O no hydrogen 2.815 N/A VAL 107.A N ARG 103.A O no hydrogen 2.885 N/A ALA 108.A N HIS 104.A O no hydrogen 3.057 N/A SER 109.A N ALA 105.A O no hydrogen 3.234 N/A SER 109.A OG ALA 105.A O no hydrogen 2.982 N/A SER 109.A OG ALA 106.A O no hydrogen 3.484 N/A GLY 110.A N ALA 106.A O no hydrogen 2.615 N/A LYS 111.A N SER 109.A OG no hydrogen 3.027 N/A LYS 111.A NZ CYS 82.A O no hydrogen 2.952 N/A LYS 111.A NZ VAL 88.A O no hydrogen 2.745 N/A VAL 113.A N GLY 134.A O no hydrogen 2.878 N/A TRP 114.A N LEU 91.A O no hydrogen 2.696 N/A ILE 116.A N LEU 93.A O no hydrogen 3.069 N/A VAL 117.A N SER 139.A O no hydrogen 3.079 N/A SER 119.A OG GLU 97.A OE2 no hydrogen 2.673 N/A ALA 120.A N ASP 148.A OD2 no hydrogen 2.805 N/A GLY 122.A N SER 119.A OG no hydrogen 3.222 N/A LEU 123.A N SER 119.A O no hydrogen 3.067 N/A ALA 124.A N ALA 120.A O no hydrogen 2.979 N/A ALA 125.A N ARG 121.A O no hydrogen 3.077 N/A LEU 126.A N LEU 123.A O no hydrogen 3.029 N/A ILE 129.A N ALA 125.A O no hydrogen 2.969 N/A ALA 130.A N LEU 126.A O no hydrogen 2.888 N/A ALA 131.A N GLY 127.A O no hydrogen 3.271 N/A ALA 132.A N ILE 129.A O no hydrogen 3.297 N/A VAL 135.A N ALA 132.A O no hydrogen 3.305 N/A GLU 136.A N VAL 113.A O no hydrogen 3.023 N/A ARG 137.A NE GLU 136.A OE2 no hydrogen 2.917 N/A ARG 137.A NH1 GLN 4.A O no hydrogen 2.910 N/A ARG 137.A NH1 PRO 180.A O no hydrogen 3.004 N/A ARG 137.A NH2 GLN 4.A O no hydrogen 3.070 N/A ARG 137.A NH2 GLU 136.A OE2 no hydrogen 2.781 N/A SER 139.A N PRO 115.A O no hydrogen 3.315 N/A SER 139.A OG LEU 182.A O no hydrogen 2.705 N/A GLY 141.A N VAL 117.A O no hydrogen 2.753 N/A SER 142.A OG VAL 185.A O no hydrogen 3.563 N/A LEU 145.A N GLY 141.A O no hydrogen 2.959 N/A ALA 146.A N SER 142.A O no hydrogen 3.031 N/A LEU 147.A N LEU 143.A O no hydrogen 3.023 N/A ASP 148.A N ASP 144.A O no hydrogen 2.862 N/A LEU 149.A N LEU 145.A O no hydrogen 2.828 N/A ASP 150.A N LEU 147.A O no hydrogen 3.189 N/A LEU 151.A N ALA 146.A O no hydrogen 2.717 N/A SER 155.A N ASN 152.A O no hydrogen 2.979 N/A SER 155.A OG ASN 152.A O no hydrogen 2.835 N/A ALA 158.A N SER 155.A OG no hydrogen 3.118 N/A GLU 159.A N SER 155.A O no hydrogen 3.039 N/A GLN 160.A N ASN 156.A O no hydrogen 2.959 N/A ILE 161.A N ALA 157.A O no hydrogen 3.022 N/A LEU 162.A N ALA 158.A O no hydrogen 2.796 N/A GLY 163.A N GLU 159.A O no hydrogen 2.834 N/A HIS 164.A N ILE 161.A O no hydrogen 2.993 N/A HIS 164.A ND1 GLN 160.A O no hydrogen 3.056 N/A ARG 166.A N LEU 162.A O no hydrogen 2.853 N/A ARG 166.A NH1 ASP 183.A OD1 no hydrogen 2.932 N/A TYR 167.A N GLY 163.A O no hydrogen 2.983 N/A ALA 168.A N HIS 164.A O no hydrogen 3.187 N/A LEU 169.A N ALA 165.A O no hydrogen 3.033 N/A LEU 170.A N ARG 166.A O no hydrogen 2.958 N/A LEU 171.A N TYR 167.A O no hydrogen 2.681 N/A GLN 172.A N ALA 168.A O no hydrogen 2.963 N/A THR 173.A N LEU 169.A O no hydrogen 2.905 N/A THR 173.A OG1 LEU 169.A O no hydrogen 2.622 N/A ARG 174.A N LEU 170.A O no hydrogen 3.382 N/A LEU 175.A N LEU 171.A O no hydrogen 3.084 N/A ALA 176.A N GLN 172.A O no hydrogen 2.955 N/A GLY 177.A N ARG 174.A O no hydrogen 3.379 N/A LEU 178.A N THR 173.A O no hydrogen 2.893 N/A ALA 179.A N GLU 136.A O no hydrogen 3.052 N/A LEU 182.A N LEU 138.A O no hydrogen 3.027 N/A ASP 183.A N GLY 209.A O no hydrogen 2.855 N/A ASN 191.A N ALA 188.A O no hydrogen 3.205 N/A ARG 192.A N GLN 190.A O no hydrogen 2.877 N/A ARG 192.A NH1 GLU 219.A OE1 no hydrogen 2.597 N/A ARG 192.A NH2 GLU 219.A OE1 no hydrogen 2.765 N/A ARG 192.A NH2 GLU 219.A OE2 no hydrogen 2.850 N/A GLY 194.A N ASN 191.A OD1 no hydrogen 2.723 N/A LEU 195.A N ASN 191.A O no hydrogen 2.920 N/A VAL 196.A N ARG 192.A O no hydrogen 2.687 N/A GLU 197.A N ALA 193.A O no hydrogen 3.072 N/A ALA 198.A N GLY 194.A O no hydrogen 3.042 N/A VAL 199.A N LEU 195.A O no hydrogen 2.992 N/A ARG 200.A N VAL 196.A O no hydrogen 2.979 N/A PHE 201.A N GLU 197.A O no hydrogen 2.934 N/A ALA 202.A N ALA 198.A O no hydrogen 2.889 N/A ARG 203.A N VAL 199.A O no hydrogen 2.825 N/A ARG 203.A NE LEU 225.A O no hydrogen 3.292 N/A ARG 203.A NH1 GLU 231.A OE1 no hydrogen 3.442 N/A ARG 203.A NH1 GLU 231.A OE2 no hydrogen 2.742 N/A ARG 203.A NH2 LEU 225.A O no hydrogen 3.266 N/A ARG 203.A NH2 GLU 231.A OE1 no hydrogen 3.429 N/A ASP 204.A N ARG 200.A O no hydrogen 2.931 N/A MET 205.A N ALA 202.A O no hydrogen 3.224 N/A GLY 206.A N ARG 203.A O no hydrogen 3.121 N/A PHE 207.A N ALA 202.A O no hydrogen 2.960 N/A GLY 208.A N PRO 181.A O no hydrogen 2.875 N/A LEU 210.A N ARG 7.A O no hydrogen 2.914 N/A LEU 211.A N ASP 183.A O no hydrogen 3.147 N/A CYS 212.A N ALA 9.A O no hydrogen 2.840 N/A ILE 213.A N GLN 217.A OE1 no hydrogen 2.898 N/A SER 216.A N HIS 214.A ND1 no hydrogen 3.016 N/A SER 216.A OG HIS 214.A ND1 no hydrogen 3.178 N/A GLN 217.A N HIS 214.A O no hydrogen 3.054 N/A GLN 217.A NE2 TYR 186.A O no hydrogen 2.863 N/A VAL 218.A N PRO 215.A O no hydrogen 3.051 N/A ILE 221.A N GLN 217.A O no hydrogen 3.089 N/A HIS 222.A N VAL 218.A O no hydrogen 2.818 N/A HIS 222.A NE2 SER 8.A OG no hydrogen 2.548 N/A GLN 223.A N GLU 219.A O no hydrogen 2.848 N/A THR 224.A N PRO 220.A O no hydrogen 3.042 N/A THR 224.A OG1 PRO 220.A O no hydrogen 2.737 N/A LEU 225.A N ILE 221.A O no hydrogen 3.079 N/A SER 228.A N GLU 231.A OE1 no hydrogen 2.514 N/A SER 228.A OG GLU 231.A OE1 no hydrogen 2.962 N/A GLU 231.A N SER 228.A OG no hydrogen 2.964 N/A LEU 232.A N SER 228.A O no hydrogen 2.968 N/A GLU 233.A N PRO 229.A O no hydrogen 2.791 N/A TRP 234.A N ALA 230.A O no hydrogen 2.827 N/A ALA 235.A N GLU 231.A O no hydrogen 2.878 N/A ARG 236.A N LEU 232.A O no hydrogen 2.737 N/A ARG 236.A NE GLU 273.A OE1 no hydrogen 2.977 N/A ARG 236.A NH2 GLU 273.A OE1 no hydrogen 3.276 N/A ARG 236.A NH2 GLU 273.A OE2 no hydrogen 3.124 N/A ARG 237.A N GLU 233.A O no hydrogen 2.953 N/A ARG 237.A NE ASP 252.A OD1 no hydrogen 3.266 N/A ARG 237.A NH2 ASP 252.A OD1 no hydrogen 3.110 N/A ARG 237.A NH2 ASP 252.A OD2 no hydrogen 2.457 N/A VAL 238.A N TRP 234.A O no hydrogen 2.883 N/A ALA 239.A N ALA 235.A O no hydrogen 2.975 N/A GLU 240.A N ARG 236.A O no hydrogen 2.934 N/A ALA 241.A N ARG 237.A O no hydrogen 3.233 N/A GLY 242.A N VAL 238.A O no hydrogen 3.066 N/A GLY 242.A N ALA 239.A O no hydrogen 3.005 N/A ALA 243.A N ALA 239.A O no hydrogen 3.179 N/A ALA 243.A N GLU 240.A O no hydrogen 3.235 N/A SER 244.A N GLU 240.A O no hydrogen 3.070 N/A SER 244.A OG ALA 241.A O no hydrogen 3.235 N/A PHE 249.A N VAL 256.A O no hydrogen 3.246 N/A VAL 251.A N GLU 254.A O no hydrogen 3.006 N/A GLU 254.A N VAL 251.A O no hydrogen 2.887 N/A VAL 256.A N PHE 249.A O no hydrogen 2.741 N/A LEU 261.A N ASP 257.A O no hydrogen 3.082 N/A GLY 262.A N ALA 258.A O no hydrogen 2.865 N/A ARG 263.A N PRO 259.A O no hydrogen 2.809 N/A ALA 264.A N VAL 260.A O no hydrogen 2.893 N/A ARG 265.A N LEU 261.A O no hydrogen 2.919 N/A ARG 266.A N GLY 262.A O no hydrogen 2.890 N/A LEU 267.A N ARG 263.A O no hydrogen 3.032 N/A LEU 268.A N ALA 264.A O no hydrogen 3.188 N/A GLU 269.A N ARG 265.A O no hydrogen 3.063 N/A ARG 270.A N ARG 266.A O no hydrogen 3.025 N/A ALA 271.A N LEU 267.A O no hydrogen 3.217 N/A GLY 272.A N GLU 269.A O no hydrogen 3.028 N/A GLU 273.A N LEU 268.A O no hydrogen 2.834 N/A