Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bf5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N TYR 119.A O no hydrogen 3.099 N/A TYR 6.A N ASP 55.A O no hydrogen 2.925 N/A PHE 7.A N HIS 121.A O no hydrogen 2.818 N/A GLY 8.A N TYR 57.A O no hydrogen 3.383 N/A HIS 9.A N THR 39.A OG1 no hydrogen 2.925 N/A HIS 9.A ND1 THR 124.A OG1 no hydrogen 2.653 N/A HIS 9.A NE2 GLN 104.A OE1 no hydrogen 2.772 N/A ASN 11.A N GLY 37.A O no hydrogen 3.104 N/A ILE 12.A N PRO 88.A O no hydrogen 3.109 N/A ASP 13.A N ARG 35.A O no hydrogen 2.822 N/A VAL 14.A N CYS 90.A O no hydrogen 2.842 N/A LEU 15.A N ARG 33.A O no hydrogen 2.964 N/A ILE 16.A N ILE 92.A O no hydrogen 2.699 N/A SER 17.A N ASP 31.A O no hydrogen 2.905 N/A VAL 18.A N THR 94.A O no hydrogen 2.826 N/A ILE 21.A N ASP 95.A OD2 no hydrogen 3.391 N/A LYS 30.A N SER 17.A O no hydrogen 2.813 N/A ASP 31.A N SER 17.A O no hydrogen 3.438 N/A ARG 33.A N LEU 15.A O no hydrogen 3.269 N/A ARG 33.A NE ASP 31.A OD2 no hydrogen 2.977 N/A ARG 33.A NH2 ASP 31.A OD1 no hydrogen 3.327 N/A ARG 35.A N ASP 13.A O no hydrogen 2.723 N/A ARG 35.A NE ASP 13.A OD2 no hydrogen 3.431 N/A ARG 35.A NH2 ASP 13.A OD2 no hydrogen 3.277 N/A GLY 37.A N ASN 11.A O no hydrogen 2.682 N/A THR 39.A OG1 SER 123.A OG no hydrogen 3.318 N/A THR 39.A OG1 THR 124.A OG1 no hydrogen 2.649 N/A ALA 40.A N HIS 9.A O no hydrogen 2.942 N/A GLY 41.A N HIS 9.A O no hydrogen 3.293 N/A ASN 42.A N GLY 38.A O no hydrogen 3.085 N/A ASN 42.A ND2 ASP 218.A OD2 no hydrogen 3.313 N/A ALA 44.A N ALA 40.A O no hydrogen 2.894 N/A ILE 45.A N GLY 41.A O no hydrogen 2.951 N/A VAL 46.A N ASN 42.A O no hydrogen 3.332 N/A ALA 47.A N PHE 43.A O no hydrogen 2.719 N/A GLN 48.A N ALA 44.A O no hydrogen 2.820 N/A PHE 50.A N ALA 47.A O no hydrogen 3.135 N/A ARG 51.A N GLN 48.A O no hydrogen 3.034 N/A ILE 52.A N ALA 47.A O no hydrogen 3.230 N/A ASP 55.A N LEU 4.A O no hydrogen 2.854 N/A TYR 57.A N TYR 6.A O no hydrogen 2.866 N/A TYR 57.A OH TYR 117.A OH no hydrogen 2.656 N/A SER 58.A OG GLY 8.A O no hydrogen 2.671 N/A VAL 60.A N GLU 80.A O no hydrogen 2.811 N/A GLY 61.A N GLY 87.A O no hydrogen 2.784 N/A LYS 62.A NZ.B ASP 84.A O no hydrogen 3.192 N/A THR 63.A N GLY 61.A O no hydrogen 3.220 N/A THR 63.A OG1 GLY 61.A O no hydrogen 3.341 N/A THR 63.A OG1 HIS 64.A ND1 no hydrogen 2.695 N/A HIS 64.A N GLY 61.A O no hydrogen 2.929 N/A HIS 64.A ND1 THR 63.A OG1 no hydrogen 2.695 N/A TYR 67.A OH GLY 37.A O no hydrogen 2.508 N/A LEU 68.A N HIS 64.A O no hydrogen 3.051 N/A ALA 69.A N ARG 65.A O no hydrogen 3.045 N/A GLU 71.A N LEU 68.A O no hydrogen 3.028 N/A SER 72.A N ALA 69.A O no hydrogen 3.031 N/A SER 72.A OG ALA 69.A O no hydrogen 3.484 N/A ILE 74.A N ILE 70.A O no hydrogen 3.029 N/A THR 76.A OG1 GLU 71.A OE2 no hydrogen 2.630 N/A GLY 77.A N ASN 75.A OD1 no hydrogen 3.236 N/A VAL 79.A N THR 76.A O no hydrogen 3.115 N/A GLU 80.A N SER 58.A O no hydrogen 2.885 N/A LYS 81.A NZ THR 76.A O no hydrogen 2.823 N/A LYS 81.A NZ VAL 79.A O no hydrogen 2.734 N/A PHE 82.A N VAL 60.A O no hydrogen 2.823 N/A GLU 85.A N PHE 82.A O no hydrogen 3.427 N/A SER 86.A OG HIS 103.A NE2 no hydrogen 3.091 N/A GLY 87.A N THR 63.A OG1 no hydrogen 2.757 N/A ILE 89.A N HIS 103.A O no hydrogen 2.973 N/A CYS 90.A N ILE 12.A O no hydrogen 2.872 N/A CYS 90.A SG PHE 102.A O no hydrogen 3.828 N/A TYR 91.A N PHE 102.A O no hydrogen 2.927 N/A ILE 92.A N VAL 14.A O no hydrogen 2.799 N/A ALA 93.A N VAL 100.A O no hydrogen 2.956 N/A THR 94.A N ILE 16.A O no hydrogen 2.828 N/A ASP 95.A N LYS 98.A O no hydrogen 3.345 N/A LYS 98.A NZ ILE 21.A O no hydrogen 3.344 N/A VAL 100.A N ALA 93.A O no hydrogen 2.943 N/A PHE 102.A N TYR 91.A O no hydrogen 2.899 N/A ALA 106.A N SER 86.A O no hydrogen 2.990 N/A ALA 108.A N GLY 105.A O no hydrogen 3.202 N/A TYR 117.A OH ASP 55.A OD2 no hydrogen 2.490 N/A TYR 117.A OH TYR 57.A OH no hydrogen 2.656 N/A GLU 118.A N ARG 2.A O no hydrogen 2.852 N/A TYR 119.A N PHE 3.A O no hydrogen 2.857 N/A VAL 120.A N LYS 137.A O no hydrogen 3.050 N/A HIS 121.A N ALA 5.A O no hydrogen 2.881 N/A HIS 121.A ND1 TYR 225.A OH no hydrogen 2.797 N/A HIS 121.A NE2 ASP 141.A OD2 no hydrogen 2.608 N/A PHE 122.A N ILE 139.A O no hydrogen 2.938 N/A SER 123.A N PHE 7.A O no hydrogen 2.997 N/A SER 123.A OG PHE 7.A O no hydrogen 2.630 N/A THR 124.A OG1 HIS 9.A ND1 no hydrogen 2.653 N/A THR 124.A OG1 THR 39.A OG1 no hydrogen 2.649 N/A GLY 125.A N GLU 145.A OE1 no hydrogen 2.682 N/A TYR 128.A OH THR 124.A O no hydrogen 2.692 N/A LYS 132.A N LEU 129.A O no hydrogen 2.995 N/A SER 133.A OG ASP 130.A O no hydrogen 3.522 N/A SER 136.A OG TYR 117.A O no hydrogen 2.638 N/A LYS 137.A N GLU 118.A O no hydrogen 2.746 N/A LYS 137.A NZ GLU 118.A OE2 no hydrogen 2.690 N/A LYS 137.A NZ TYR 119.A OH no hydrogen 3.478 N/A ILE 139.A N VAL 120.A O no hydrogen 2.992 N/A ASP 141.A N PHE 122.A O no hydrogen 2.865 N/A SER 143.A OG.A GLN 144.A OE1 no hydrogen 3.158 N/A SER 143.A OG.B ASP 141.A O no hydrogen 3.077 N/A SER 143.A OG.B ASP 141.A OD1 no hydrogen 3.207 N/A GLU 145.A N PRO 142.A O no hydrogen 2.955 N/A ILE 146.A N SER 143.A O no hydrogen 3.317 N/A LYS 148.A N GLU 145.A O no hydrogen 3.099 N/A LYS 148.A NZ GLY 125.A O no hydrogen 2.654 N/A LYS 148.A NZ GLU 145.A OE1 no hydrogen 2.922 N/A TYR 149.A N ILE 146.A O no hydrogen 3.397 N/A SER 150.A N GLU 153.A OE1 no hydrogen 3.150 N/A GLU 153.A N SER 150.A OG no hydrogen 3.241 N/A LEU 154.A N SER 150.A O no hydrogen 2.851 N/A LYS 155.A N LYS 151.A O no hydrogen 2.954 N/A LYS 156.A N ASP 152.A O no hydrogen 2.930 N/A PHE 157.A N GLU 153.A O no hydrogen 2.922 N/A HIS 158.A N LEU 154.A O no hydrogen 3.022 N/A HIS 158.A ND1 SER 163.A OG no hydrogen 2.860 N/A GLU 159.A N LYS 155.A O no hydrogen 2.885 N/A ILE 160.A N LYS 156.A O no hydrogen 3.019 N/A SER 161.A N HIS 158.A O no hydrogen 3.147 N/A SER 161.A OG HIS 158.A O no hydrogen 2.495 N/A SER 161.A OG SER 163.A OG no hydrogen 3.012 N/A TYR 162.A N ILE 138.A O no hydrogen 2.665 N/A SER 163.A N THR 184.A O no hydrogen 3.144 N/A SER 163.A OG HIS 158.A ND1 no hydrogen 2.860 N/A SER 163.A OG SER 161.A OG no hydrogen 3.012 N/A ILE 164.A N PHE 140.A O no hydrogen 2.878 N/A PHE 165.A N ILE 186.A O no hydrogen 2.995 N/A ASN 166.A N GLU 169.A OE1 no hydrogen 3.022 N/A GLU 169.A N ASN 166.A OD1 no hydrogen 2.842 N/A TYR 170.A N ASN 166.A O no hydrogen 2.977 N/A ARG 171.A N ASP 167.A O no hydrogen 3.270 N/A VAL 172.A N HIS 168.A O no hydrogen 3.069 N/A PHE 173.A N GLU 169.A O no hydrogen 2.814 N/A ARG 174.A N TYR 170.A O no hydrogen 2.957 N/A GLU 175.A N ARG 171.A O no hydrogen 3.034 N/A THR 176.A OG1 PHE 173.A O no hydrogen 2.683 N/A THR 176.A OG1 ARG 174.A O no hydrogen 3.481 N/A GLY 177.A N ARG 174.A O no hydrogen 2.784 N/A LEU 178.A N THR 176.A OG1 no hydrogen 3.237 N/A LYS 182.A N HIS 158.A NE2 no hydrogen 3.030 N/A THR 185.A N PHE 197.A O no hydrogen 2.948 N/A THR 185.A OG1 VAL 183.A O no hydrogen 2.840 N/A ILE 186.A N SER 163.A O no hydrogen 2.953 N/A VAL 187.A N SER 195.A O no hydrogen 2.853 N/A THR 188.A N PHE 165.A O no hydrogen 2.865 N/A THR 188.A OG1 PHE 165.A O no hydrogen 3.446 N/A ASN 189.A N GLY 193.A O no hydrogen 2.700 N/A ARG 192.A N ASN 189.A O no hydrogen 2.967 N/A GLY 193.A N GLY 190.A O no hydrogen 3.134 N/A SER 194.A N PHE 204.A O no hydrogen 3.030 N/A SER 195.A N VAL 187.A O no hydrogen 2.764 N/A SER 195.A OG ASP 203.A OD1 no hydrogen 2.764 N/A LEU 196.A N TYR 202.A O no hydrogen 2.876 N/A PHE 197.A N THR 185.A O no hydrogen 2.763 N/A LYS 201.A NZ SER 195.A OG no hydrogen 2.803 N/A LYS 201.A NZ ASP 203.A OD1 no hydrogen 3.276 N/A TYR 202.A N LEU 196.A O no hydrogen 2.945 N/A PHE 204.A N SER 194.A O no hydrogen 2.771 N/A ALA 206.A N ARG 192.A O no hydrogen 3.356 N/A SER 209.A OG ILE 207.A O no hydrogen 2.753 N/A SER 209.A OG HIS 245.A ND1 no hydrogen 2.777 N/A SER 210.A N ASP 249.A OD1 no hydrogen 2.837 N/A VAL 214.A N ASP 212.A OD1 no hydrogen 3.163 N/A ALA 216.A N THR 213.A O no hydrogen 3.072 N/A ASP 218.A N GLY 215.A O no hydrogen 2.994 N/A SER 219.A N GLY 215.A O no hydrogen 3.008 N/A SER 219.A OG GLY 215.A O no hydrogen 3.525 N/A PHE 220.A N ALA 216.A O no hydrogen 2.938 N/A ARG 221.A N GLY 217.A O no hydrogen 2.907 N/A ARG 221.A NE ASP 141.A OD2 no hydrogen 2.846 N/A ARG 221.A NH1 GLY 217.A O no hydrogen 2.906 N/A ARG 221.A NH2 ASP 141.A OD1 no hydrogen 2.960 N/A ALA 222.A N ASP 218.A O no hydrogen 2.952 N/A GLY 223.A N SER 219.A O no hydrogen 3.013 N/A LEU 224.A N PHE 220.A O no hydrogen 3.024 N/A TYR 225.A N ARG 221.A O no hydrogen 3.068 N/A TYR 225.A OH HIS 121.A ND1 no hydrogen 2.797 N/A LEU 226.A N ALA 222.A O no hydrogen 2.958 N/A ALA 227.A N GLY 223.A O no hydrogen 3.208 N/A LEU 228.A N LEU 224.A O no hydrogen 3.029 N/A TYR 229.A N TYR 225.A O no hydrogen 2.807 N/A ASN 230.A N LEU 226.A O no hydrogen 3.149 N/A ASN 230.A ND2 LEU 226.A O no hydrogen 2.844 N/A ARG 231.A N LEU 228.A O no hydrogen 3.104 N/A ARG 231.A NH2 GLU 118.A OE1 no hydrogen 2.988 N/A ARG 232.A N ALA 227.A O no hydrogen 2.941 N/A LYS 236.A N SER 233.A OG no hydrogen 3.146 N/A LYS 236.A NZ GLU 262.A OE2 no hydrogen 3.151 N/A LYS 236.A NZ GLU 266.A OE2.A no hydrogen 2.738 N/A GLY 237.A N SER 233.A O no hydrogen 2.951 N/A TYR 239.A N LYS 236.A O no hydrogen 2.785 N/A TYR 239.A OH GLU 262.A OE1 no hydrogen 2.559 N/A GLY 240.A N GLY 237.A O no hydrogen 3.003 N/A ILE 242.A N ILE 238.A O no hydrogen 3.007 N/A ILE 243.A N TYR 239.A O no hydrogen 2.902 N/A ALA 244.A N GLY 240.A O no hydrogen 2.917 N/A HIS 245.A N THR 241.A O no hydrogen 3.242 N/A HIS 245.A ND1 SER 209.A OG no hydrogen 2.777 N/A HIS 246.A N ILE 242.A O no hydrogen 3.063 N/A HIS 246.A ND1 ILE 242.A O no hydrogen 3.066 N/A VAL 247.A N ILE 243.A O no hydrogen 2.959 N/A ILE 248.A N ALA 244.A O no hydrogen 3.016 N/A ASP 249.A N HIS 245.A O no hydrogen 3.138 N/A ASP 250.A N HIS 246.A O no hydrogen 2.771 N/A GLY 251.A N VAL 247.A O no hydrogen 2.815 N/A PHE 255.A N ILE 252.A O no hydrogen 3.355 N/A ASN 258.A ND2 ASP 260.A OD2 no hydrogen 2.813 N/A ASP 260.A N ASN 258.A OD1 no hydrogen 2.658 N/A LEU 261.A N ASN 258.A O no hydrogen 3.101 N/A ARG 263.A N GLU 259.A O no hydrogen 3.052 N/A ARG 263.A NH2 ASP 260.A OD1 no hydrogen 3.384 N/A GLU 264.A N ASP 260.A O no hydrogen 2.782 N/A THR 265.A N LEU 261.A O no hydrogen 2.873 N/A THR 265.A OG1 LEU 261.A O no hydrogen 2.644 N/A GLU 266.A N GLU 262.A O no hydrogen 3.078 N/A ASN 267.A N ARG 263.A O no hydrogen 3.019 N/A TYR 268.A N GLU 264.A O no hydrogen 3.019 N/A TYR 268.A OH PRO 205.A O no hydrogen 2.569 N/A ARG 269.A N THR 265.A O no hydrogen 3.017 N/A ARG 270.A N GLU 266.A O no hydrogen 3.066 N/A