Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3i9o_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A N VAL 110.A O no hydrogen 2.797 N/A ASN 9.A ND2 GLU 6.A OE1 no hydrogen 2.910 N/A VAL 10.A N GLU 6.A O no hydrogen 3.175 N/A PHE 11.A N LEU 7.A O no hydrogen 2.955 N/A LEU 12.A N GLU 8.A O no hydrogen 2.928 N/A GLY 13.A N ASN 9.A O no hydrogen 3.010 N/A ARG 14.A N VAL 10.A O no hydrogen 2.782 N/A ARG 14.A NH1 TYR 104.A O no hydrogen 3.421 N/A ARG 14.A NH1 MET 105.A O no hydrogen 3.004 N/A ARG 14.A NH1 ASN 107.A O no hydrogen 2.865 N/A CYS 15.A N PHE 11.A O no hydrogen 2.934 N/A LYS 16.A N LEU 12.A O no hydrogen 2.949 N/A LYS 16.A NZ GLU 19.A OE1 no hydrogen 3.048 N/A ASP 17.A N GLY 13.A O no hydrogen 2.939 N/A TYR 18.A N ARG 14.A O no hydrogen 3.022 N/A TYR 18.A OH ASP 99.A O no hydrogen 2.664 N/A GLU 19.A N CYS 15.A O no hydrogen 2.853 N/A ILE 20.A N LYS 16.A O no hydrogen 3.187 N/A THR 21.A N ASP 17.A O no hydrogen 2.850 N/A THR 21.A N TYR 18.A O no hydrogen 3.242 N/A THR 21.A OG1 ASP 17.A O no hydrogen 2.918 N/A THR 21.A OG1 ASP 17.A OD1 no hydrogen 3.261 N/A ARG 22.A N TYR 18.A O no hydrogen 3.265 N/A ARG 22.A NE ASP 17.A OD1 no hydrogen 3.358 N/A ARG 22.A NE ASP 17.A OD2 no hydrogen 2.758 N/A ARG 22.A NH2 ASP 17.A OD1 no hydrogen 3.367 N/A ARG 22.A NH2 ASP 17.A OD2 no hydrogen 2.674 N/A TYR 23.A OH ASP 99.A OD1 no hydrogen 2.679 N/A ILE 26.A N TYR 23.A O no hydrogen 3.263 N/A LEU 27.A N TYR 23.A O no hydrogen 3.110 N/A ARG 29.A NH1 GLU 19.A O no hydrogen 3.102 N/A ARG 29.A NH1 ARG 22.A O no hydrogen 3.168 N/A ARG 29.A NH2 ARG 22.A O no hydrogen 2.884 N/A ARG 29.A NH2 LEU 27.A O no hydrogen 2.927 N/A SER 35.A N ASP 33.A OD2 no hydrogen 3.337 N/A SER 35.A OG ASP 33.A OD2 no hydrogen 3.332 N/A LEU 37.A N ASP 33.A O no hydrogen 3.098 N/A TRP 38.A N CYS 34.A O no hydrogen 2.869 N/A LYS 39.A N SER 35.A O no hydrogen 2.928 N/A ASP 40.A N ALA 36.A O no hydrogen 3.385 N/A PHE 41.A N LEU 37.A O no hydrogen 2.966 N/A PHE 42.A N TRP 38.A O no hydrogen 2.743 N/A LYS 43.A N LYS 39.A O no hydrogen 3.030 N/A LYS 43.A NZ ASP 40.A OD1 no hydrogen 2.695 N/A LYS 43.A NZ ASP 60.A OD2 no hydrogen 3.324 N/A ALA 44.A N ASP 40.A O no hydrogen 3.302 N/A PHE 45.A N PHE 42.A O no hydrogen 3.049 N/A SER 46.A N PHE 42.A O no hydrogen 3.014 N/A SER 46.A OG PHE 42.A O no hydrogen 3.103 N/A PHE 47.A N GLY 119.A O no hydrogen 2.931 N/A LYS 48.A NZ ALA 44.A O no hydrogen 2.806 N/A CYS 51.A N ASN 49.A OD1 no hydrogen 2.905 N/A ASP 52.A N ASN 49.A O no hydrogen 2.814 N/A ASP 54.A N SER 57.A OG no hydrogen 2.982 N/A GLY 56.A N ASP 54.A OD1 no hydrogen 2.899 N/A SER 57.A N ASP 54.A O no hydrogen 3.328 N/A SER 57.A OG ASP 54.A O no hydrogen 3.104 N/A SER 57.A OG ASP 54.A OD1 no hydrogen 3.092 N/A LYS 59.A N GLY 56.A O no hydrogen 3.061 N/A PHE 62.A N TYR 58.A O no hydrogen 3.250 N/A THR 63.A N LYS 59.A O no hydrogen 2.886 N/A THR 63.A OG1 LYS 59.A O no hydrogen 3.387 N/A SER 64.A N ASP 60.A O no hydrogen 2.874 N/A SER 64.A OG ASP 40.A OD2 no hydrogen 3.270 N/A SER 64.A OG ASP 60.A O no hydrogen 3.424 N/A ALA 65.A N PHE 61.A O no hydrogen 2.855 N/A GLN 66.A NE2 GLN 67.A O no hydrogen 3.030 N/A GLN 67.A NE2 TYR 18.A OH no hydrogen 3.281 N/A GLN 67.A NE2 PRO 28.A O no hydrogen 3.171 N/A ASN 72.A N GLU 152.A O no hydrogen 2.998 N/A LYS 73.A N PRO 70.A O no hydrogen 3.245 N/A LYS 73.A NZ GLY 91.A O no hydrogen 2.792 N/A LYS 73.A NZ ARG 92.A O no hydrogen 3.334 N/A MET 75.A N ILE 95.A O no hydrogen 2.928 N/A PHE 76.A N THR 156.A O no hydrogen 2.804 N/A SER 78.A N MET 158.A O no hydrogen 2.806 N/A SER 78.A OG TRP 77.A O no hydrogen 2.783 N/A SER 78.A OG TYR 157.A OH no hydrogen 2.368 N/A ALA 84.A N VAL 80.A O no hydrogen 2.894 N/A HIS 85.A N TYR 81.A O no hydrogen 2.951 N/A HIS 85.A ND1 TYR 81.A O no hydrogen 2.922 N/A HIS 85.A NE2 GLU 98.A OE1 no hydrogen 2.794 N/A ASP 86.A N ASP 82.A O no hydrogen 2.974 N/A TYR 87.A N GLU 83.A O no hydrogen 2.841 N/A ALA 88.A N ALA 84.A O no hydrogen 2.950 N/A ASN 89.A N HIS 85.A O no hydrogen 3.117 N/A ARG 92.A N ASN 89.A O no hydrogen 2.596 N/A ARG 92.A NE ASN 89.A OD1 no hydrogen 2.943 N/A ARG 92.A NH2 ASN 89.A OD1 no hydrogen 2.969 N/A LYS 93.A N ALA 88.A O no hydrogen 3.021 N/A TYR 94.A N ALA 88.A O no hydrogen 3.248 N/A ILE 95.A N LYS 73.A O no hydrogen 2.601 N/A THR 96.A N ASP 99.A OD2 no hydrogen 3.202 N/A THR 96.A OG1 HIS 85.A NE2 no hydrogen 3.146 N/A THR 96.A OG1 GLU 98.A OE1 no hydrogen 3.321 N/A THR 96.A OG1 ASP 99.A OD2 no hydrogen 3.275 N/A ASP 99.A N THR 96.A O no hydrogen 3.005 N/A THR 100.A N LEU 97.A O no hydrogen 3.231 N/A THR 100.A OG1 LEU 97.A O no hydrogen 2.722 N/A LEU 101.A N GLN 67.A OE1 no hydrogen 2.971 N/A TYR 104.A N THR 100.A O no hydrogen 2.818 N/A TYR 104.A OH ASP 17.A OD2 no hydrogen 2.956 N/A MET 105.A N LEU 101.A O no hydrogen 2.660 N/A LEU 106.A N PRO 102.A O no hydrogen 3.085 N/A LEU 109.A N LEU 106.A O no hydrogen 2.999 N/A VAL 110.A N THR 4.A OG1 no hydrogen 3.014 N/A TRP 111.A NE1 TYR 58.A OH no hydrogen 3.121 N/A CYS 112.A SG VAL 124.A O no hydrogen 3.578 N/A GLN 114.A N GLY 119.A O no hydrogen 2.695 N/A GLN 114.A NE2 ALA 116.A O no hydrogen 3.212 N/A GLN 114.A NE2 ASN 117.A O no hydrogen 3.419 N/A GLY 119.A N ALA 116.A O no hydrogen 3.150 N/A ASN 121.A N CYS 112.A O no hydrogen 3.085 N/A LYS 123.A N ASN 121.A OD1 no hydrogen 2.764 N/A VAL 124.A N ASN 121.A OD1 no hydrogen 3.052 N/A CYS 125.A N ILE 1.A O no hydrogen 3.058 N/A LYS 129.A NZ ASP 127.A OD2 no hydrogen 3.430 N/A THR 130.A N ASP 127.A O no hydrogen 2.803 N/A CYS 131.A N PHE 128.A O no hydrogen 2.757 N/A GLN 134.A N GLN 134.A OE1 no hydrogen 2.746 N/A ARG 136.A N PRO 132.A O no hydrogen 2.907 N/A GLU 137.A N VAL 133.A O no hydrogen 2.815 N/A SER 138.A N ALA 135.A O no hydrogen 2.801 N/A SER 138.A OG ASP 54.A O no hydrogen 2.734 N/A GLY 141.A N GLU 137.A O no hydrogen 2.875 N/A MET 142.A N SER 138.A O no hydrogen 3.440 N/A ALA 143.A N PHE 139.A O no hydrogen 2.958 N/A SER 144.A N TRP 140.A O no hydrogen 2.896 N/A SER 144.A OG TRP 140.A O no hydrogen 3.013 N/A SER 144.A OG GLU 179.A OE2 no hydrogen 3.397 N/A SER 145.A N GLY 141.A O no hydrogen 2.983 N/A SER 145.A OG GLY 141.A O no hydrogen 2.851 N/A SER 146.A N MET 142.A O no hydrogen 2.953 N/A SER 146.A OG GLN 66.A OE1 no hydrogen 2.505 N/A TYR 147.A N ALA 143.A O no hydrogen 3.220 N/A TYR 147.A OH MET 75.A O no hydrogen 2.938 N/A ALA 148.A N SER 144.A O no hydrogen 2.761 N/A HIS 149.A N SER 145.A O no hydrogen 2.748 N/A SER 150.A N SER 146.A O no hydrogen 3.162 N/A SER 150.A OG SER 146.A O no hydrogen 2.905 N/A ALA 151.A N ALA 148.A O no hydrogen 3.104 N/A GLY 153.A N LYS 186.A O no hydrogen 2.915 N/A GLU 154.A N ASN 72.A OD1 no hydrogen 2.672 N/A VAL 155.A N ARG 189.A O no hydrogen 2.991 N/A THR 156.A N VAL 74.A O no hydrogen 3.126 N/A TYR 157.A N LYS 191.A O no hydrogen 2.795 N/A TYR 157.A OH SER 78.A OG no hydrogen 2.368 N/A MET 158.A N PHE 76.A O no hydrogen 2.873 N/A VAL 159.A N ILE 193.A O no hydrogen 2.921 N/A GLY 161.A N LEU 195.A O no hydrogen 2.863 N/A SER 162.A N ASP 160.A OD1 no hydrogen 2.773 N/A SER 162.A OG LYS 201.A O no hydrogen 3.491 N/A LYS 165.A N ASN 163.A OD1 no hydrogen 2.913 N/A VAL 166.A N ASN 163.A OD1 no hydrogen 3.280 N/A ALA 168.A N GLU 204.A OE1 no hydrogen 3.326 N/A TYR 169.A N SER 210.A OG no hydrogen 3.130 N/A SER 173.A N ARG 170.A O no hydrogen 3.291 N/A SER 173.A OG ARG 170.A O no hydrogen 2.902 N/A GLY 176.A N SER 173.A OG no hydrogen 3.050 N/A LYS 177.A N SER 173.A O no hydrogen 2.794 N/A LYS 177.A NZ GLU 137.A OE1 no hydrogen 2.916 N/A LYS 177.A NZ GLU 137.A OE2 no hydrogen 3.065 N/A TYR 178.A N PHE 174.A O no hydrogen 2.909 N/A TYR 178.A OH GLU 137.A OE1 no hydrogen 2.553 N/A GLU 179.A N PHE 174.A O no hydrogen 3.099 N/A LEU 180.A N PHE 175.A O no hydrogen 2.715 N/A ASN 182.A N GLU 179.A O no hydrogen 2.891 N/A ASN 182.A ND2 TYR 178.A O no hydrogen 2.494 N/A LEU 183.A N LEU 180.A O no hydrogen 3.012 N/A VAL 187.A N THR 184.A O no hydrogen 3.029 N/A THR 188.A N GLY 153.A O no hydrogen 2.724 N/A ARG 189.A NE GLU 154.A OE2 no hydrogen 3.269 N/A ARG 189.A NH1 ASP 226.A OD2 no hydrogen 3.252 N/A VAL 190.A N ALA 224.A O no hydrogen 3.216 N/A LYS 191.A N VAL 155.A O no hydrogen 2.819 N/A LYS 191.A NZ ASP 226.A OD1 no hydrogen 3.404 N/A LYS 191.A NZ ASP 226.A OD2 no hydrogen 3.258 N/A VAL 192.A N ASP 226.A O no hydrogen 2.967 N/A ILE 193.A N TYR 157.A O no hydrogen 2.797 N/A VAL 194.A N VAL 228.A O no hydrogen 2.861 N/A LEU 195.A N VAL 159.A O no hydrogen 2.899 N/A HIS 196.A N ASN 230.A OD1 no hydrogen 2.710 N/A HIS 196.A NE2 GLU 204.A O no hydrogen 2.862 N/A ARG 197.A NH2 GLY 79.A O no hydrogen 3.346 N/A ARG 197.A NH2 ASP 160.A OD2 no hydrogen 2.875 N/A GLY 199.A N GLU 247.A OE1 no hydrogen 3.282 N/A GLY 199.A N GLU 247.A OE2 no hydrogen 3.312 N/A ILE 203.A N GLY 161.A O no hydrogen 3.006 N/A GLU 204.A N GLY 161.A O no hydrogen 3.009 N/A SER 210.A OG GLU 204.A OE1 no hydrogen 3.008 N/A LEU 211.A N ALA 208.A O no hydrogen 3.340 N/A LEU 212.A N GLY 209.A O no hydrogen 2.768 N/A ASP 213.A N GLY 209.A O no hydrogen 3.357 N/A LEU 214.A N SER 210.A O no hydrogen 2.706 N/A GLU 215.A N LEU 211.A O no hydrogen 3.122 N/A LYS 216.A N LEU 212.A O no hydrogen 3.094 N/A LEU 217.A N ASP 213.A O no hydrogen 2.919 N/A VAL 218.A N LEU 214.A O no hydrogen 2.761 N/A LYS 219.A N GLU 215.A O no hydrogen 2.954 N/A ALA 220.A N LYS 216.A O no hydrogen 3.018 N/A LYS 221.A N LEU 217.A O no hydrogen 3.296 N/A LYS 221.A N VAL 218.A O no hydrogen 3.174 N/A HIS 222.A N LYS 219.A O no hydrogen 2.935 N/A PHE 223.A N VAL 218.A O no hydrogen 3.323 N/A ALA 224.A N THR 188.A O no hydrogen 2.995 N/A ASP 226.A N VAL 190.A O no hydrogen 3.314 N/A VAL 228.A N VAL 192.A O no hydrogen 2.965 N/A ASN 230.A N VAL 194.A O no hydrogen 2.931 N/A ASN 230.A ND2 HIS 196.A O no hydrogen 3.120 N/A LEU 235.A N PRO 231.A O no hydrogen 2.808 N/A PHE 236.A N ARG 232.A O no hydrogen 2.873 N/A LEU 237.A N ALA 233.A O no hydrogen 3.420 N/A LEU 238.A N VAL 234.A O no hydrogen 3.130 N/A CYS 239.A N LEU 235.A O no hydrogen 3.025 N/A CYS 239.A SG LEU 235.A O no hydrogen 3.382 N/A SER 240.A N LEU 237.A O no hydrogen 2.808 N/A ASP 241.A N LEU 238.A O no hydrogen 2.778 N/A ASN 242.A N CYS 239.A O no hydrogen 3.032 N/A ALA 245.A N ASN 242.A O no hydrogen 3.332 N/A GLU 247.A N GLU 247.A OE1 no hydrogen 3.206 N/A CYS 248.A N ALA 245.A O no hydrogen 2.518 N/A CYS 248.A SG ASN 242.A O no hydrogen 3.606 N/A