Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wi9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N THR 1.A O no hydrogen 3.046 N/A ALA 6.A N GLN 2.A O no hydrogen 2.997 N/A ASN 7.A N GLN 3.A O no hydrogen 2.999 N/A MET 8.A N SER 4.A O no hydrogen 2.805 N/A LEU 9.A N ALA 5.A O no hydrogen 2.834 N/A ALA 10.A N ALA 6.A O no hydrogen 3.252 N/A ALA 11.A N ASN 7.A O no hydrogen 3.116 N/A HIS 12.A N MET 8.A O no hydrogen 2.946 N/A HIS 12.A NE2 ASP 81.A OD1 no hydrogen 2.758 N/A VAL 15.A N HIS 12.A O no hydrogen 2.929 N/A GLN 17.A N ILE 40.A O no hydrogen 2.726 N/A GLN 17.A NE2 MET 80.A O no hydrogen 2.882 N/A VAL 20.A N ASN 57.A O no hydrogen 3.259 N/A LYS 23.A N GLU 35.A O no hydrogen 3.182 N/A GLU 25.A N HIS 33.A O no hydrogen 3.065 N/A ARG 26.A NH1 GLY 28.A O no hydrogen 3.163 N/A ARG 26.A NH1 ASP 71.A OD2 no hydrogen 2.988 N/A ARG 26.A NH2 ASP 71.A OD1 no hydrogen 2.798 N/A ARG 26.A NH2 ASP 71.A OD2 no hydrogen 3.569 N/A VAL 27.A N ASP 31.A O no hydrogen 2.880 N/A ASP 31.A N GLY 28.A O no hydrogen 3.288 N/A VAL 32.A N.A THR 72.A O no hydrogen 2.927 N/A VAL 32.A N.B THR 72.A O no hydrogen 2.916 N/A HIS 33.A N GLU 25.A O no hydrogen 2.787 N/A ILE 34.A N HIS 74.A O.A no hydrogen 3.037 N/A ILE 34.A N HIS 74.A O.B no hydrogen 3.043 N/A GLU 35.A N LYS 23.A O no hydrogen 2.790 N/A MET 36.A N THR 76.A O no hydrogen 2.878 N/A THR 37.A N ASN 57.A OD1 no hydrogen 2.939 N/A THR 37.A OG1 GLN 39.A OE1 no hydrogen 2.703 N/A ALA 38.A N LYS 78.A O no hydrogen 2.929 N/A GLN 39.A N THR 55.A O no hydrogen 2.886 N/A GLN 39.A NE2 GLN 17.A O no hydrogen 3.048 N/A GLN 39.A NE2 ALA 18.A O no hydrogen 2.879 N/A GLN 39.A NE2 THR 41.A OG1 no hydrogen 3.342 N/A ILE 40.A N GLN 17.A OE1 no hydrogen 2.834 N/A THR 41.A N ALA 53.A O no hydrogen 3.031 N/A THR 41.A OG1 GLN 17.A O no hydrogen 2.763 N/A ASP 42.A N ASN 16.A OD1 no hydrogen 2.914 N/A ILE 43.A N TYR 51.A O no hydrogen 2.935 N/A ILE 45.A N LYS 49.A O no hydrogen 3.001 N/A GLY 48.A N GLU 44.A OE2 no hydrogen 2.846 N/A LYS 49.A N ASP 46.A O no hydrogen 2.863 N/A TYR 51.A N ILE 43.A O no hydrogen 2.824 N/A TYR 51.A OH ASN 137.A OD1 no hydrogen 2.625 N/A LYS 52.A NZ VAL 15.A O no hydrogen 2.740 N/A LYS 52.A NZ ASP 42.A OD2 no hydrogen 2.884 N/A ALA 53.A N THR 41.A O no hydrogen 2.888 N/A TRP 54.A N ASN 137.A O no hydrogen 2.872 N/A THR 55.A N GLN 39.A O no hydrogen 2.861 N/A THR 55.A OG1 GLN 39.A O no hydrogen 2.817 N/A ASN 57.A N THR 37.A O no hydrogen 3.121 N/A ASN 57.A ND2 VAL 20.A O no hydrogen 2.774 N/A GLY 58.A N THR 55.A OG1 no hydrogen 2.921 N/A GLN 59.A N PHE 56.A O no hydrogen 3.295 N/A ALA 60.A N ASN 200.A OD1 no hydrogen 2.979 N/A GLY 62.A N HIS 140.A O no hydrogen 2.683 N/A VAL 65.A N VAL 142.A O no hydrogen 3.294 N/A VAL 67.A N ILE 144.A O no hydrogen 2.943 N/A ASN 68.A N ASP 71.A OD1 no hydrogen 2.873 N/A GLU 69.A N LYS 146.A O no hydrogen 2.915 N/A GLY 70.A N ALA 116.A O no hydrogen 2.744 N/A ASP 71.A N ASN 68.A O no hydrogen 2.997 N/A THR 72.A N HIS 30.A O no hydrogen 2.751 N/A ILE 73.A N TYR 114.A O no hydrogen 2.799 N/A HIS 74.A N.A VAL 32.A O.A no hydrogen 2.842 N/A HIS 74.A N.A VAL 32.A O.B no hydrogen 2.780 N/A HIS 74.A N.B VAL 32.A O.A no hydrogen 2.836 N/A HIS 74.A N.B VAL 32.A O.B no hydrogen 2.776 N/A HIS 74.A NE2.B ASP 31.A OD1 no hydrogen 2.771 N/A PHE 75.A N PHE 112.A O no hydrogen 2.715 N/A THR 76.A N ILE 34.A O no hydrogen 2.837 N/A THR 76.A OG1 THR 111.A OG1 no hydrogen 2.797 N/A LEU 77.A N GLY 110.A O no hydrogen 2.861 N/A LYS 78.A N MET 36.A O no hydrogen 2.894 N/A ASN 79.A N LYS 108.A O no hydrogen 2.890 N/A ASN 79.A ND2 VAL 84.A O no hydrogen 2.910 N/A ASN 79.A ND2 VAL 104.A O no hydrogen 2.971 N/A MET 80.A N ALA 38.A O no hydrogen 2.756 N/A ASP 81.A N ASN 79.A OD1 no hydrogen 2.964 N/A VAL 83.A N ASP 81.A OD1 no hydrogen 2.979 N/A VAL 84.A N ASP 81.A OD1 no hydrogen 3.064 N/A HIS 86.A N VAL 104.A O no hydrogen 3.119 N/A HIS 86.A ND1 HIS 134.A ND1 no hydrogen 3.127 N/A HIS 86.A NE2 ASP 81.A OD2 no hydrogen 2.737 N/A SER 87.A OG THR 128.A OG1 no hydrogen 2.872 N/A ASP 89.A N HIS 125.A O no hydrogen 2.811 N/A HIS 91.A N MET 123.A O no hydrogen 2.847 N/A VAL 93.A N PHE 90.A O no hydrogen 3.319 N/A HIS 94.A N PRO 115.A O no hydrogen 3.216 N/A SER 96.A N ASP 100.A OD2 no hydrogen 2.840 N/A LYS 99.A N SER 96.A O no hydrogen 3.098 N/A ASP 100.A N SER 96.A O no hydrogen 2.657 N/A PHE 101.A N PRO 97.A O no hydrogen 3.131 N/A VAL 104.A N HIS 86.A O no hydrogen 2.713 N/A ASN 107.A N ASN 79.A O no hydrogen 2.870 N/A LYS 108.A N MET 105.A O no hydrogen 3.016 N/A GLY 110.A N LEU 77.A O no hydrogen 2.967 N/A THR 111.A OG1 THR 76.A OG1 no hydrogen 2.797 N/A PHE 112.A N PHE 75.A O no hydrogen 2.788 N/A TYR 114.A N ILE 73.A O no hydrogen 3.094 N/A ALA 116.A N ASP 71.A O no hydrogen 2.875 N/A GLY 120.A N VAL 145.A O no hydrogen 2.919 N/A VAL 121.A N ASP 247.A O no hydrogen 2.977 N/A PHE 122.A N ILE 143.A O no hydrogen 2.891 N/A TYR 124.A N GLY 141.A O no hydrogen 2.802 N/A TYR 124.A OH PRO 63.A O no hydrogen 2.730 N/A HIS 125.A N ASP 89.A O no hydrogen 2.918 N/A HIS 125.A ND1 CYS 126.A O no hydrogen 2.789 N/A CYS 126.A N MET 139.A O no hydrogen 3.069 N/A CYS 126.A SG HIS 86.A ND1 no hydrogen 3.943 N/A CYS 126.A SG SER 87.A O no hydrogen 3.655 N/A CYS 126.A SG SER 87.A OG no hydrogen 3.778 N/A CYS 126.A SG THR 128.A OG1 no hydrogen 3.479 N/A CYS 126.A SG HIS 134.A ND1 no hydrogen 3.272 N/A GLY 127.A N SER 87.A OG no hydrogen 2.812 N/A THR 128.A OG1 SER 87.A OG no hydrogen 2.872 N/A THR 128.A OG1 ASP 103.A OD2 no hydrogen 2.633 N/A GLN 133.A NE2 ASN 172.A OD1 no hydrogen 2.773 N/A HIS 134.A N PRO 130.A O no hydrogen 3.261 N/A HIS 134.A ND1 HIS 86.A ND1 no hydrogen 3.127 N/A ILE 135.A N VAL 131.A O no hydrogen 2.874 N/A ALA 136.A N LEU 132.A O no hydrogen 2.844 N/A ASN 137.A N GLN 133.A O no hydrogen 3.012 N/A ASN 137.A ND2 ASN 172.A OD1 no hydrogen 2.868 N/A GLY 138.A N ILE 135.A O no hydrogen 2.901 N/A MET 139.A N HIS 134.A O no hydrogen 3.062 N/A HIS 140.A N GLY 138.A O no hydrogen 2.992 N/A GLY 141.A N TYR 124.A O no hydrogen 2.896 N/A ILE 143.A N PHE 122.A O no hydrogen 2.846 N/A ILE 144.A N VAL 65.A O no hydrogen 2.792 N/A VAL 145.A N GLY 120.A O no hydrogen 2.869 N/A LYS 146.A N VAL 67.A O no hydrogen 2.900 N/A LYS 148.A N GLU 69.A OE1 no hydrogen 2.843 N/A GLY 150.A N PRO 147.A O no hydrogen 3.053 N/A TYR 151.A N ASP 154.A OD1 no hydrogen 2.950 N/A TYR 151.A N ASP 154.A OD2 no hydrogen 3.383 N/A TYR 151.A OH GLY 248.A O no hydrogen 2.589 N/A THR 153.A OG1 TYR 245.A OH no hydrogen 2.700 N/A THR 153.A OG1 GLU 271.A OE1 no hydrogen 2.589 N/A THR 153.A OG1 GLU 271.A OE2 no hydrogen 3.262 N/A ASP 154.A N TYR 151.A O no hydrogen 2.983 N/A GLU 156.A N THR 153.A O no hydrogen 2.934 N/A VAL 157.A N ASP 154.A O no hydrogen 3.124 N/A ASP 158.A N LYS 218.A O no hydrogen 2.799 N/A ARG 159.A N LYS 218.A O no hydrogen 3.320 N/A ARG 159.A NE GLU 217.A OE2 no hydrogen 2.840 N/A ARG 159.A NH1 GLU 217.A OE1 no hydrogen 2.797 N/A TYR 161.A N ARG 220.A O no hydrogen 3.002 N/A TYR 161.A OH LEU 212.A O no hydrogen 2.578 N/A LEU 163.A N TYR 222.A O no hydrogen 2.886 N/A ILE 164.A N SER 188.A O no hydrogen 2.924 N/A GLN 165.A N ASN 224.A O no hydrogen 2.983 N/A ASN 166.A N VAL 186.A O no hydrogen 2.999 N/A ASN 166.A ND2 GLU 167.A O no hydrogen 3.021 N/A GLU 167.A N GLY 227.A O no hydrogen 2.889 N/A TRP 168.A N TYR 184.A O no hydrogen 2.917 N/A TRP 168.A NE1 GLY 201.A O no hydrogen 2.910 N/A TYR 169.A OH GLU 167.A OE2 no hydrogen 2.691 N/A LYS 170.A N ASP 176.A OD2 no hydrogen 2.904 N/A TYR 171.A OH LYS 52.A O no hydrogen 2.652 N/A ASN 172.A N TYR 51.A OH no hydrogen 3.289 N/A ASP 173.A N LYS 170.A O no hydrogen 3.313 N/A ASP 176.A N ASP 173.A OD1 no hydrogen 3.061 N/A PHE 177.A N ASP 173.A O no hydrogen 2.830 N/A GLN 178.A N MET 174.A O no hydrogen 3.065 N/A ASN 179.A N ASN 175.A O no hydrogen 2.948 N/A ASN 179.A ND2 ASN 175.A O no hydrogen 3.405 N/A ASN 179.A ND2 ASN 175.A OD1 no hydrogen 2.935 N/A GLY 180.A N ASP 176.A O no hydrogen 2.848 N/A SER 183.A N TRP 168.A O no hydrogen 2.880 N/A TYR 184.A N TRP 168.A O no hydrogen 3.148 N/A VAL 185.A N LYS 292.A O no hydrogen 3.048 N/A VAL 186.A N ASN 166.A O no hydrogen 2.831 N/A SER 188.A N ILE 164.A O no hydrogen 2.960 N/A SER 189.A N THR 199.A OG1 no hydrogen 2.963 N/A SER 189.A OG VAL 162.A O no hydrogen 2.769 N/A LYS 190.A NZ GLN 59.A OE1 no hydrogen 2.846 N/A LYS 190.A NZ PRO 61.A O no hydrogen 2.720 N/A LYS 190.A NZ THR 199.A O no hydrogen 2.757 N/A ALA 191.A N ASN 198.A OD1 no hydrogen 2.988 N/A LEU 192.A N ASP 196.A OD2 no hydrogen 2.920 N/A LYS 193.A N ASP 196.A OD2 no hydrogen 2.920 N/A LYS 193.A NZ ASP 196.A OD1 no hydrogen 2.721 N/A ASP 196.A N LYS 193.A O no hydrogen 3.030 N/A ASN 198.A ND2 GLN 59.A OE1 no hydrogen 2.913 N/A THR 199.A N SER 189.A O no hydrogen 2.817 N/A THR 199.A OG1 SER 189.A O no hydrogen 3.535 N/A GLY 201.A N ALA 60.A O no hydrogen 2.794 N/A THR 203.A N ILE 45.A O no hydrogen 2.989 N/A THR 203.A OG1 ASP 46.A OD2 no hydrogen 2.541 N/A PHE 204.A N ASP 202.A OD1 no hydrogen 2.953 N/A THR 205.A N ASP 202.A OD1 no hydrogen 2.759 N/A THR 205.A OG1 ASP 202.A OD1 no hydrogen 3.350 N/A THR 205.A OG1 ASP 202.A OD2 no hydrogen 2.625 N/A LYS 207.A N PHE 204.A O no hydrogen 3.000 N/A LYS 207.A NZ THR 203.A O no hydrogen 2.818 N/A LYS 207.A NZ VAL 295.A O no hydrogen 2.911 N/A GLU 208.A N PHE 204.A O no hydrogen 2.935 N/A LYS 209.A N THR 205.A O no hydrogen 2.789 N/A LEU 211.A N MET 297.A O no hydrogen 2.880 N/A ALA 213.A N LYS 299.A O no hydrogen 3.004 N/A LYS 214.A N GLU 217.A OE2 no hydrogen 2.850 N/A VAL 215.A N THR 301.A O no hydrogen 2.948 N/A GLY 216.A N VAL 274.A O no hydrogen 2.712 N/A GLU 217.A N LYS 214.A O no hydrogen 3.147 N/A LYS 218.A N ASP 158.A OD1 no hydrogen 2.899 N/A LYS 218.A NZ GLU 156.A OE1 no hydrogen 2.952 N/A ILE 219.A N PHE 272.A O no hydrogen 2.753 N/A ARG 220.A N ARG 159.A O no hydrogen 2.873 N/A ARG 220.A NE GLU 271.A OE2 no hydrogen 2.740 N/A ARG 220.A NH1 ASP 154.A OD2 no hydrogen 3.267 N/A ARG 220.A NH1 TYR 222.A OH no hydrogen 3.069 N/A ARG 220.A NH2 ASP 154.A OD2 no hydrogen 2.759 N/A ARG 220.A NH2 GLU 271.A OE2 no hydrogen 2.746 N/A LEU 221.A N VAL 270.A O no hydrogen 2.843 N/A TYR 222.A N TYR 161.A O no hydrogen 2.939 N/A TYR 222.A OH GLU 160.A OE1 no hydrogen 3.001 N/A ILE 223.A N ALA 268.A O no hydrogen 2.871 N/A ASN 224.A N LEU 163.A O no hydrogen 3.269 N/A ASN 225.A N GLY 266.A O no hydrogen 2.938 N/A ASN 225.A ND2 GLU 230.A O no hydrogen 2.801 N/A ASN 225.A ND2 LEU 262.A O no hydrogen 3.576 N/A ASN 225.A ND2 PRO 263.A O no hydrogen 3.268 N/A VAL 226.A N GLN 165.A O no hydrogen 2.902 N/A GLY 227.A N ASN 225.A OD1 no hydrogen 3.134 N/A ASN 229.A N GLU 167.A OE1 no hydrogen 3.372 N/A ASN 229.A N GLU 167.A OE2 no hydrogen 2.910 N/A ASN 229.A ND2 TYR 169.A OH no hydrogen 2.998 N/A ASN 229.A ND2 PHE 177.A O no hydrogen 2.985 N/A GLU 230.A N GLU 167.A OE1 no hydrogen 2.836 N/A SER 232.A N LEU 262.A O no hydrogen 2.899 N/A SER 232.A OG GLN 165.A OE1 no hydrogen 2.714 N/A SER 233.A N THR 284.A OG1 no hydrogen 3.081 N/A SER 233.A OG GLN 286.A OE1 no hydrogen 2.703 N/A PHE 234.A N VAL 260.A O no hydrogen 2.904 N/A HIS 235.A N VAL 283.A O no hydrogen 2.988 N/A HIS 235.A ND1 GLN 258.A O no hydrogen 2.733 N/A VAL 237.A N PRO 281.A O no hydrogen 2.917 N/A THR 239.A OG1 VAL 240.A O no hydrogen 3.363 N/A THR 239.A OG1 THR 273.A O no hydrogen 2.809 N/A PHE 241.A N MET 257.A O no hydrogen 2.841 N/A ASP 243.A N GLU 271.A O no hydrogen 3.485 N/A VAL 244.A N LEU 254.A O no hydrogen 2.828 N/A TYR 245.A N VAL 269.A O no hydrogen 2.794 N/A TYR 245.A OH THR 153.A OG1 no hydrogen 2.700 N/A LEU 246.A N ASN 252.A O no hydrogen 2.938 N/A ASP 247.A N GLY 267.A O no hydrogen 2.903 N/A GLY 248.A N TYR 245.A O no hydrogen 2.913 N/A ASN 249.A N LEU 246.A O no hydrogen 3.132 N/A ASN 251.A N ASN 249.A OD1 no hydrogen 2.930 N/A ASN 251.A ND2 ASN 249.A OD1 no hydrogen 2.913 N/A ASN 252.A N ASN 249.A O no hydrogen 3.000 N/A ASN 252.A ND2 LEU 246.A O no hydrogen 3.096 N/A HIS 253.A NE2.A ASP 243.A OD2 no hydrogen 2.585 N/A HIS 253.A NE2.B ASP 243.A OD2 no hydrogen 2.678 N/A LEU 254.A N VAL 244.A O no hydrogen 2.842 N/A GLY 256.A N ASP 242.A O no hydrogen 3.210 N/A MET 257.A N PHE 241.A O no hydrogen 3.173 N/A THR 259.A OG1 HIS 235.A ND1 no hydrogen 3.366 N/A VAL 260.A N PHE 234.A O no hydrogen 2.849 N/A LEU 262.A N SER 232.A O no hydrogen 2.873 N/A SER 265.A N ASN 225.A O no hydrogen 2.688 N/A SER 265.A OG ALA 264.A O no hydrogen 2.555 N/A GLY 266.A N PRO 263.A O no hydrogen 2.847 N/A GLY 267.A N ASP 247.A OD1 no hydrogen 2.884 N/A ALA 268.A N ILE 223.A O no hydrogen 2.915 N/A VAL 269.A N TYR 245.A O no hydrogen 3.013 N/A VAL 270.A N LEU 221.A O no hydrogen 2.970 N/A GLU 271.A N ASP 243.A O no hydrogen 2.927 N/A PHE 272.A N ILE 219.A O no hydrogen 2.947 N/A THR 273.A OG1 ASP 242.A OD2 no hydrogen 3.112 N/A VAL 274.A N GLU 217.A O no hydrogen 3.117 N/A ARG 276.A N TYR 280.A OH no hydrogen 3.170 N/A GLY 278.A N VAL 300.A O no hydrogen 2.945 N/A TYR 280.A N LEU 298.A O no hydrogen 2.723 N/A TYR 280.A OH ARG 276.A O no hydrogen 2.635 N/A ILE 282.A N ALA 296.A O no hydrogen 2.737 N/A VAL 283.A N HIS 235.A O no hydrogen 2.897 N/A HIS 285.A N SER 233.A O no hydrogen 2.687 N/A GLN 286.A NE2 VAL 231.A O no hydrogen 3.092 N/A HIS 289.A N GLN 286.A O no hydrogen 3.010 N/A HIS 289.A N ASN 288.A OD1 no hydrogen 2.954 N/A ALA 290.A N GLN 286.A O no hydrogen 3.251 N/A GLN 291.A N PHE 287.A O no hydrogen 2.876 N/A LYS 292.A N ASN 288.A O no hydrogen 3.125 N/A LYS 292.A NZ PRO 182.A O no hydrogen 2.804 N/A GLY 293.A N ALA 290.A O no hydrogen 3.151 N/A ALA 294.A N HIS 289.A O no hydrogen 3.104 N/A VAL 295.A N GLY 293.A O no hydrogen 2.857 N/A ALA 296.A N ILE 282.A O no hydrogen 2.845 N/A MET 297.A N LEU 206.A O no hydrogen 2.940 N/A LEU 298.A N TYR 280.A O no hydrogen 2.915 N/A LYS 299.A N LEU 211.A O no hydrogen 2.753 N/A VAL 300.A N GLY 278.A O no hydrogen 2.774 N/A THR 301.A N ALA 213.A O no hydrogen 3.040 N/A THR 301.A OG1 THR 303.A O no hydrogen 2.811 N/A