Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3it8_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 1.A N GLU 99.A O no hydrogen 2.927 N/A ILE 1.A N ASP 211.A OD2 no hydrogen 3.087 N/A ILE 1.A N ASP 286.A OD2 no hydrogen 2.968 N/A THR 2.A N ASN 26.A OD1 no hydrogen 3.016 N/A LEU 3.A N CYS 97.A O no hydrogen 3.075 N/A LYS 4.A N HIS 24.A O no hydrogen 2.833 N/A TYR 5.A N THR 95.A O no hydrogen 2.712 N/A TYR 5.A OH TYR 170.A OH no hydrogen 2.758 N/A ASN 6.A N TYR 22.A O no hydrogen 2.975 N/A TYR 7.A N LEU 93.A O no hydrogen 3.123 N/A TYR 7.A OH TYR 64.A O no hydrogen 2.663 N/A THR 8.A N VAL 20.A O no hydrogen 2.794 N/A THR 8.A OG1 ASN 6.A OD1 no hydrogen 2.806 N/A THR 8.A OG1 SER 92.A OG no hydrogen 2.949 N/A VAL 9.A N LEU 91.A O no hydrogen 3.054 N/A THR 10.A N ASP 18.A O no hydrogen 2.798 N/A LEU 11.A N THR 89.A O no hydrogen 2.748 N/A ASP 18.A N THR 10.A O no hydrogen 2.774 N/A VAL 20.A N THR 8.A O no hydrogen 2.888 N/A PHE 21.A N ILE 33.A O no hydrogen 2.726 N/A TYR 22.A N ASN 6.A O no hydrogen 2.896 N/A ASP 23.A N THR 31.A O no hydrogen 2.919 N/A HIS 24.A N LYS 4.A O no hydrogen 2.905 N/A TYR 25.A N GLN 28.A O no hydrogen 2.967 N/A ASN 26.A N THR 2.A O no hydrogen 2.776 N/A GLN 28.A N TYR 25.A O no hydrogen 2.798 N/A VAL 30.A N ASP 23.A O no hydrogen 2.672 N/A THR 31.A N ASP 23.A O no hydrogen 3.420 N/A THR 31.A OG1 TYR 64.A OH no hydrogen 3.013 N/A LYS 32.A N PHE 46.A O no hydrogen 3.069 N/A ILE 33.A N PHE 21.A O no hydrogen 2.989 N/A SER 34.A N ASN 43.A O no hydrogen 3.168 N/A TYR 35.A N GLY 19.A O no hydrogen 2.903 N/A ASN 36.A N HIS 41.A O no hydrogen 2.881 N/A HIS 37.A NE2 ASP 18.A OD1 no hydrogen 2.947 N/A THR 39.A N ASN 36.A OD1 no hydrogen 2.623 N/A ARG 40.A N ASN 36.A O no hydrogen 2.611 N/A ARG 40.A NE HIS 37.A O no hydrogen 2.957 N/A GLY 42.A N ASN 67.A OD1 no hydrogen 3.007 N/A ASN 43.A N SER 34.A O no hydrogen 2.980 N/A ASN 45.A N LYS 32.A O no hydrogen 2.792 N/A ASN 45.A ND2 SER 34.A OG no hydrogen 2.478 N/A PHE 46.A N LYS 32.A O no hydrogen 3.388 N/A ARG 47.A NH1 THR 31.A OG1 no hydrogen 2.275 N/A ALA 48.A N VAL 30.A O no hydrogen 2.886 N/A PHE 51.A N ALA 48.A O no hydrogen 3.244 N/A ARG 55.A N ASN 52.A O no hydrogen 2.787 N/A SER 56.A N ILE 53.A O no hydrogen 3.282 N/A SER 56.A OG THR 59.A OG1 no hydrogen 2.515 N/A THR 59.A N SER 56.A O no hydrogen 2.916 N/A THR 59.A OG1 SER 56.A O no hydrogen 3.437 N/A THR 59.A OG1 SER 56.A OG no hydrogen 2.515 N/A THR 59.A OG1 TYR 170.A OH no hydrogen 3.267 N/A TYR 64.A OH ASP 23.A OD2 no hydrogen 2.874 N/A TYR 64.A OH THR 31.A OG1 no hydrogen 3.013 N/A ASN 65.A N GLY 61.A O no hydrogen 2.902 N/A PHE 66.A N ASP 63.A O no hydrogen 2.952 N/A TRP 69.A N ASN 65.A O no hydrogen 3.054 N/A TYR 70.A N PHE 66.A O no hydrogen 2.728 N/A TYR 70.A OH TYR 17.A O no hydrogen 2.579 N/A SER 71.A N ASN 67.A O no hydrogen 3.099 N/A LEU 72.A N PHE 68.A O no hydrogen 3.016 N/A MET 73.A N TRP 69.A O no hydrogen 2.687 N/A LYS 74.A N TYR 70.A O no hydrogen 2.809 N/A GLU 75.A N SER 71.A O no hydrogen 2.975 N/A THR 76.A N LEU 72.A O no hydrogen 3.046 N/A THR 76.A OG1 LEU 72.A O no hydrogen 2.870 N/A LEU 77.A N MET 73.A O no hydrogen 2.792 N/A GLU 78.A N LYS 74.A O no hydrogen 3.048 N/A GLU 79.A N GLU 75.A O no hydrogen 3.142 N/A ILE 80.A N THR 76.A O no hydrogen 2.989 N/A ASN 81.A N LEU 77.A O no hydrogen 3.007 N/A ASN 81.A N GLU 78.A O no hydrogen 3.140 N/A ASN 81.A ND2 THR 88.A O no hydrogen 3.603 N/A LYS 82.A N GLU 79.A O no hydrogen 3.087 N/A LYS 82.A NZ GLU 79.A OE1 no hydrogen 3.041 N/A SER 85.A N ASN 83.A OD1 no hydrogen 3.383 N/A SER 85.A OG ASN 83.A OD1 no hydrogen 2.989 N/A THR 86.A N ASN 83.A O no hydrogen 2.824 N/A LYS 87.A NZ ASP 84.A OD2 no hydrogen 2.958 N/A THR 88.A N ASN 81.A OD1 no hydrogen 2.639 N/A THR 88.A OG1 THR 86.A O no hydrogen 2.718 N/A LEU 91.A N VAL 9.A O no hydrogen 2.976 N/A SER 92.A N GLU 111.A O no hydrogen 2.922 N/A SER 92.A OG THR 8.A OG1 no hydrogen 2.949 N/A LEU 93.A N TYR 7.A O no hydrogen 2.799 N/A ILE 94.A N TYR 109.A O no hydrogen 2.845 N/A THR 95.A N TYR 5.A O no hydrogen 3.065 N/A THR 95.A OG1 TYR 107.A O no hydrogen 2.842 N/A GLY 96.A N TYR 107.A O no hydrogen 3.073 N/A CYS 97.A N LEU 3.A O no hydrogen 2.920 N/A TYR 98.A N GLY 105.A O no hydrogen 2.971 N/A GLU 99.A N ILE 1.A O no hydrogen 3.050 N/A THR 100.A OG1 ASP 211.A OD2 no hydrogen 3.089 N/A GLY 101.A N ASP 286.A OD1 no hydrogen 3.455 N/A LEU 102.A N GLU 289.A O no hydrogen 3.263 N/A GLY 105.A N TYR 98.A O no hydrogen 3.158 N/A SER 106.A OG GLU 159.A O no hydrogen 2.658 N/A TYR 107.A N GLY 96.A O no hydrogen 2.835 N/A TYR 109.A N ILE 94.A O no hydrogen 2.800 N/A VAL 110.A N ALA 118.A O no hydrogen 2.697 N/A GLU 111.A N SER 92.A O no hydrogen 2.992 N/A THR 112.A N GLY 115.A O no hydrogen 2.963 N/A ASN 114.A ND2 THR 86.A O no hydrogen 3.554 N/A GLY 115.A N THR 112.A O no hydrogen 2.847 N/A LEU 117.A N VAL 110.A O no hydrogen 2.943 N/A ALA 118.A N VAL 110.A O no hydrogen 3.106 N/A ARG 119.A N THR 128.A O no hydrogen 2.847 N/A ARG 119.A NE GLU 247.A OE2 no hydrogen 2.801 N/A ARG 119.A NH2 ASN 242.A O no hydrogen 2.913 N/A ARG 119.A NH2 GLU 247.A OE1 no hydrogen 2.796 N/A ARG 119.A NH2 GLU 247.A OE2 no hydrogen 3.263 N/A TYR 120.A N GLY 108.A O no hydrogen 2.823 N/A HIS 121.A N ARG 126.A O no hydrogen 3.036 N/A LYS 125.A N HIS 121.A O no hydrogen 2.837 N/A THR 128.A N ARG 119.A O no hydrogen 2.717 N/A LYS 129.A NZ HIS 132.A O no hydrogen 3.263 N/A MET 130.A N LEU 117.A O no hydrogen 3.144 N/A GLY 134.A N THR 131.A O no hydrogen 3.207 N/A VAL 138.A N PRO 136.A O no hydrogen 2.888 N/A MET 140.A N THR 76.A OG1 no hydrogen 2.843 N/A LEU 141.A N VAL 138.A O no hydrogen 2.868 N/A ASN 145.A N THR 142.A O no hydrogen 3.173 N/A ASN 145.A ND2 GLY 139.A O no hydrogen 2.994 N/A LEU 147.A N ASN 145.A OD1 no hydrogen 2.536 N/A TRP 148.A N ASN 145.A O no hydrogen 3.078 N/A ASP 150.A N LEU 147.A O no hydrogen 2.746 N/A VAL 151.A N LEU 147.A O no hydrogen 3.155 N/A LYS 152.A N TRP 148.A O no hydrogen 2.877 N/A ALA 153.A N LYS 149.A O no hydrogen 3.151 N/A TYR 154.A N ASP 150.A O no hydrogen 2.762 N/A LEU 155.A N VAL 151.A O no hydrogen 2.775 N/A GLY 156.A N VAL 151.A O no hydrogen 3.372 N/A GLY 157.A N LYS 152.A O no hydrogen 3.080 N/A GLY 157.A N ALA 153.A O no hydrogen 3.126 N/A PHE 158.A N TYR 154.A O no hydrogen 3.455 N/A GLU 159.A N LEU 155.A O no hydrogen 3.021 N/A TYR 160.A N GLY 156.A O no hydrogen 2.727 N/A MET 161.A N GLY 157.A O no hydrogen 3.033 N/A GLY 162.A N GLY 157.A O no hydrogen 3.181 N/A CYS 163.A N PHE 158.A O no hydrogen 2.776 N/A SER 164.A OG MET 161.A O no hydrogen 2.743 N/A LEU 165.A N MET 161.A O no hydrogen 3.123 N/A LEU 165.A N GLY 162.A O no hydrogen 3.182 N/A ALA 166.A N GLY 162.A O no hydrogen 2.910 N/A ILE 167.A N CYS 163.A O no hydrogen 2.851 N/A LEU 168.A N LEU 165.A O no hydrogen 3.269 N/A ASP 169.A N ALA 166.A O no hydrogen 2.649 N/A TYR 170.A N ALA 166.A O no hydrogen 3.238 N/A TYR 170.A OH TYR 5.A OH no hydrogen 2.758 N/A TYR 170.A OH ASP 23.A OD2 no hydrogen 2.655 N/A TYR 170.A OH THR 59.A OG1 no hydrogen 3.267 N/A GLN 171.A N ILE 167.A O no hydrogen 3.107 N/A LYS 172.A N LEU 168.A O no hydrogen 3.230 N/A MET 173.A N ASP 169.A O no hydrogen 3.205 N/A ALA 174.A N TYR 170.A O no hydrogen 2.814 N/A ALA 174.A N GLN 171.A O no hydrogen 3.143 N/A LYS 175.A N GLN 171.A O no hydrogen 2.965 N/A LYS 177.A NZ ASP 49.A OD2 no hydrogen 3.127 N/A THR 185.A N ASN 205.A O no hydrogen 3.046 N/A LYS 187.A N THR 203.A O no hydrogen 3.181 N/A THR 189.A N GLU 201.A O no hydrogen 2.688 N/A GLU 194.A N GLU 192.A O no hydrogen 2.791 N/A ASP 195.A N LEU 193.A O no hydrogen 2.835 N/A THR 199.A N ASN 191.A O no hydrogen 3.232 N/A THR 199.A OG1 VAL 269.A O no hydrogen 3.234 N/A LEU 200.A N VAL 269.A O no hydrogen 2.927 N/A GLU 201.A N THR 189.A O no hydrogen 2.770 N/A CYS 202.A N ASP 267.A O no hydrogen 2.734 N/A THR 203.A N LYS 187.A O no hydrogen 2.953 N/A VAL 204.A N LEU 265.A O no hydrogen 2.890 N/A ASN 205.A N THR 185.A O no hydrogen 2.695 N/A SER 206.A N SER 264.A OG no hydrogen 3.017 N/A PHE 207.A N TYR 263.A O no hydrogen 2.803 N/A TYR 208.A N THR 182.A O no hydrogen 2.987 N/A TYR 208.A OH ASP 27.A OD1 no hydrogen 2.826 N/A ILE 213.A N PHE 284.A O no hydrogen 3.144 N/A LYS 215.A N VAL 282.A O no hydrogen 2.855 N/A LYS 215.A NZ GLU 236.A OE2 no hydrogen 3.149 N/A TRP 216.A NE1 ASP 267.A OD2 no hydrogen 2.748 N/A ILE 217.A N VAL 280.A O no hydrogen 3.184 N/A SER 219.A N GLN 278.A O no hydrogen 3.427 N/A SER 219.A OG SER 277.A O no hydrogen 2.763 N/A HIS 221.A N GLU 218.A O no hydrogen 3.138 N/A PHE 222.A N SER 219.A O no hydrogen 2.982 N/A LYS 223.A N GLU 220.A O no hydrogen 3.052 N/A GLU 225.A N PHE 222.A O no hydrogen 2.738 N/A LYS 227.A NZ GLU 225.A OE1 no hydrogen 3.295 N/A VAL 229.A N TYR 234.A OH no hydrogen 2.859 N/A ARG 232.A N VAL 229.A O no hydrogen 3.016 N/A ARG 239.A NE ASP 267.A OD1 no hydrogen 3.494 N/A ARG 239.A NH2 ASP 267.A OD1 no hydrogen 3.420 N/A TYR 243.A N SER 241.A OG no hydrogen 3.202 N/A TYR 243.A OH GLU 111.A OE1 no hydrogen 3.135 N/A GLU 244.A N GLU 247.A OE1 no hydrogen 2.837 N/A GLU 247.A N GLU 244.A O no hydrogen 3.061 N/A PHE 250.A N GLU 247.A O no hydrogen 2.951 N/A ILE 254.A N TRP 252.A O no hydrogen 2.742 N/A LYS 255.A N SER 264.A O no hydrogen 3.018 N/A LYS 255.A NZ ASN 253.A OD1 no hydrogen 2.872 N/A THR 262.A OG1 TYR 263.A O no hydrogen 3.479 N/A TYR 263.A N PHE 207.A O no hydrogen 2.961 N/A TYR 263.A OH ASP 27.A OD2 no hydrogen 2.535 N/A SER 264.A N LYS 255.A O no hydrogen 2.985 N/A SER 264.A OG ASP 257.A OD2 no hydrogen 2.747 N/A LEU 265.A N VAL 204.A O no hydrogen 2.860 N/A THR 266.A N ASN 253.A O no hydrogen 3.064 N/A ASP 267.A N CYS 202.A O no hydrogen 2.738 N/A VAL 269.A N LEU 200.A O no hydrogen 2.712 N/A THR 271.A N MET 198.A O no hydrogen 2.888 N/A THR 272.A N ARG 270.A O no hydrogen 2.649 N/A SER 276.A OG GLU 218.A OE1 no hydrogen 3.452 N/A SER 277.A OG SER 276.A O no hydrogen 2.627 N/A VAL 280.A N ILE 217.A O no hydrogen 2.805 N/A CYS 281.A N TYR 293.A O no hydrogen 2.765 N/A CYS 281.A SG THR 214.A OG1 no hydrogen 3.350 N/A VAL 282.A N LYS 215.A O no hydrogen 2.807 N/A VAL 283.A N GLN 291.A O no hydrogen 2.884 N/A PHE 284.A N ILE 213.A O no hydrogen 2.763 N/A GLN 291.A N VAL 283.A O no hydrogen 3.195 N/A TYR 293.A N CYS 281.A O no hydrogen 2.666 N/A CYS 295.A SG VAL 188.A O no hydrogen 4.019 N/A CYS 295.A SG THR 294.A O no hydrogen 2.691 N/A CYS 299.A N SER 296.A O no hydrogen 2.537 N/A CYS 299.A SG VAL 188.A O no hydrogen 2.476 N/A CYS 299.A SG THR 294.A O no hydrogen 3.547 N/A CYS 299.A SG CYS 295.A O no hydrogen 3.175 N/A