Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2wdq_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ALA 27.A O no hydrogen 3.131 N/A ARG 2.A NH1 GLU 4.A OE2 no hydrogen 2.576 N/A LEU 3.A N LEU 25.A O no hydrogen 2.763 N/A PHE 5.A N TYR 23.A O no hydrogen 2.833 N/A SER 6.A N ILE 89.A O no hydrogen 2.866 N/A ILE 7.A N GLN 21.A O no hydrogen 2.877 N/A TYR 8.A N ILE 91.A O no hydrogen 3.040 N/A ARG 9.A N ARG 19.A O no hydrogen 2.817 N/A ARG 9.A NE ASP 102.A OD1 no hydrogen 2.858 N/A ARG 9.A NH1 GLN 21.A OE1 no hydrogen 2.970 N/A ARG 9.A NH2 SER 48.A OG no hydrogen 2.927 N/A ARG 9.A NH2 ASP 102.A OD1 no hydrogen 3.445 N/A ARG 9.A NH2 ASP 102.A OD2 no hydrogen 3.029 N/A TYR 10.A N ASP 102.A OD1 no hydrogen 2.936 N/A ASN 11.A N ASP 15.A OD2 no hydrogen 2.769 N/A ASP 13.A N ASN 11.A OD1 no hydrogen 3.027 N/A VAL 14.A N ASN 11.A O no hydrogen 2.846 N/A ASP 15.A N ASN 11.A O no hydrogen 2.776 N/A ARG 19.A N ARG 9.A O no hydrogen 3.134 N/A ARG 19.A NE ASP 15.A OD1 no hydrogen 3.032 N/A ARG 19.A NH1 GLN 21.A OE1 no hydrogen 3.184 N/A ARG 19.A NH2 GLN 21.A OE1 no hydrogen 3.562 N/A GLN 21.A N ILE 7.A O no hydrogen 2.909 N/A TYR 23.A N PHE 5.A O no hydrogen 3.008 N/A TYR 23.A OH ASP 46.A OD2 no hydrogen 2.812 N/A LEU 25.A N LEU 3.A O no hydrogen 2.941 N/A ALA 27.A N MET 1.A O no hydrogen 2.941 N/A GLY 30.A N ASP 28.A OD1 no hydrogen 3.224 N/A ARG 31.A N ASP 28.A O no hydrogen 3.204 N/A MET 34.A N ASP 37.A OD2 no hydrogen 3.060 N/A LEU 35.A N THR 77.A O no hydrogen 2.815 N/A LEU 36.A N ALA 74.A O no hydrogen 2.993 N/A ALA 38.A N MET 34.A O no hydrogen 3.218 N/A LEU 39.A N LEU 35.A O no hydrogen 2.859 N/A ILE 40.A N LEU 36.A O no hydrogen 2.957 N/A GLN 41.A N ASP 37.A O no hydrogen 3.108 N/A LEU 42.A N ALA 38.A O no hydrogen 2.873 N/A LYS 43.A N LEU 39.A O no hydrogen 2.897 N/A LYS 43.A NZ PRO 47.A O no hydrogen 2.966 N/A LYS 43.A NZ LEU 49.A O no hydrogen 2.968 N/A GLU 44.A N ILE 40.A O no hydrogen 3.267 N/A LYS 45.A N LEU 42.A O no hydrogen 2.960 N/A ASP 46.A N LEU 42.A O no hydrogen 2.649 N/A SER 48.A N ASP 46.A OD1 no hydrogen 3.241 N/A SER 48.A OG ASP 46.A OD1 no hydrogen 2.941 N/A SER 48.A OG ASP 46.A OD2 no hydrogen 3.519 N/A LEU 49.A N ASP 46.A O no hydrogen 3.029 N/A SER 50.A N ASP 102.A OD2 no hydrogen 3.021 N/A SER 50.A OG SER 48.A O no hydrogen 3.570 N/A ARG 52.A NH1 VAL 105.A O no hydrogen 2.780 N/A ARG 52.A NH2 VAL 105.A O no hydrogen 3.391 N/A ARG 53.A NH1 ARG 53.A O no hydrogen 3.061 N/A ARG 56.A NH1 CYS 55.A O no hydrogen 2.937 N/A CYS 60.A SG SER 62.A OG no hydrogen 3.086 N/A LEU 65.A N GLY 72.A O no hydrogen 2.904 N/A ASN 66.A N ARG 92.A O no hydrogen 2.834 N/A ASN 66.A ND2 GLY 69.A O no hydrogen 2.931 N/A ASN 66.A ND2 ASN 71.A OD1 no hydrogen 2.905 N/A MET 67.A N LYS 70.A O no hydrogen 2.858 N/A ASN 68.A N VAL 90.A O no hydrogen 2.857 N/A ASN 68.A ND2 LEU 82.A O no hydrogen 2.987 N/A LYS 70.A N MET 67.A O no hydrogen 2.970 N/A LYS 70.A NZ SER 214.A O no hydrogen 3.280 N/A ASN 71.A ND2 CYS 154.A O no hydrogen 2.943 N/A GLY 72.A N LEU 65.A O no hydrogen 2.979 N/A ALA 74.A N ASP 63.A O no hydrogen 3.136 N/A CYS 75.A SG ASP 63.A OD1 no hydrogen 3.555 N/A ILE 76.A N LEU 73.A O no hydrogen 3.353 N/A THR 77.A OG1 LEU 73.A O no hydrogen 2.468 N/A ILE 79.A N MET 33.A O no hydrogen 2.812 N/A SER 80.A N ASP 32.A OD1 no hydrogen 3.104 N/A SER 80.A OG ASP 32.A OD2 no hydrogen 2.511 N/A ALA 81.A N PRO 78.A O no hydrogen 2.956 N/A LEU 82.A N ILE 79.A O no hydrogen 2.936 N/A ASN 83.A N ILE 79.A O no hydrogen 2.820 N/A LYS 87.A N GLN 84.A O no hydrogen 3.094 N/A LYS 88.A NZ ASP 22.A OD2 no hydrogen 3.194 N/A ILE 89.A N GLU 4.A O no hydrogen 2.963 N/A VAL 90.A N ASN 68.A OD1 no hydrogen 2.906 N/A ILE 91.A N SER 6.A O no hydrogen 2.850 N/A ARG 92.A N ASN 66.A O no hydrogen 2.930 N/A ILE 100.A N VAL 104.A O no hydrogen 2.866 N/A ARG 101.A N VAL 104.A O no hydrogen 3.409 N/A ARG 101.A NE ASP 102.A OD2 no hydrogen 2.916 N/A ARG 101.A NH2 SER 48.A O no hydrogen 2.777 N/A ASP 102.A N TYR 10.A O no hydrogen 2.807 N/A LEU 103.A N SER 50.A O no hydrogen 3.263 N/A VAL 104.A N ARG 101.A O no hydrogen 2.758 N/A ASP 106.A N PRO 98.A O no hydrogen 2.796 N/A GLY 108.A N ASP 106.A OD1 no hydrogen 2.753 N/A TYR 111.A N MET 107.A O no hydrogen 2.958 N/A ALA 112.A N GLY 108.A O no hydrogen 2.871 N/A GLN 113.A N GLN 109.A O no hydrogen 3.181 N/A GLN 113.A NE2 PHE 169.A O no hydrogen 2.900 N/A TYR 114.A N PHE 110.A O no hydrogen 3.311 N/A GLU 115.A N TYR 111.A O no hydrogen 2.905 N/A LYS 116.A N ALA 112.A O no hydrogen 2.980 N/A LYS 116.A NZ GLN 113.A OE1 no hydrogen 2.741 N/A LYS 116.A NZ ASP 167.A O no hydrogen 3.104 N/A ILE 117.A N TYR 114.A O no hydrogen 3.314 N/A LYS 118.A N GLU 115.A O no hydrogen 3.002 N/A TYR 120.A N LYS 118.A O no hydrogen 2.791 N/A LEU 122.A N ASP 187.A OD1 no hydrogen 2.816 N/A ASN 123.A ND2 ARG 186.A O no hydrogen 2.792 N/A ASN 124.A N THR 188.A OG1 no hydrogen 2.996 N/A GLY 125.A N ASN 123.A OD1 no hydrogen 2.906 N/A GLN 126.A N ASN 124.A OD1 no hydrogen 3.009 N/A GLU 132.A N GLU 132.A OE1 no hydrogen 2.746 N/A GLN 135.A NE2 ASP 184.A OD1 no hydrogen 3.129 N/A GLN 135.A NE2 SER 185.A OG no hydrogen 2.983 N/A MET 136.A N GLN 139.A OE1 no hydrogen 2.957 N/A ARG 140.A N MET 136.A O no hydrogen 2.948 N/A ARG 140.A NH1 ARG 140.A O no hydrogen 2.965 N/A ARG 140.A NH1 ASP 144.A OD1 no hydrogen 2.875 N/A GLU 141.A N PRO 137.A O no hydrogen 2.797 N/A LYS 142.A N GLN 139.A O no hydrogen 3.201 N/A LEU 143.A N ARG 140.A O no hydrogen 3.042 N/A ASP 144.A N GLU 141.A O no hydrogen 2.995 N/A GLY 145.A N GLU 148.A OE2 no hydrogen 3.049 N/A LEU 146.A N LEU 143.A O no hydrogen 2.884 N/A TYR 147.A N LEU 143.A O no hydrogen 3.104 N/A GLU 148.A N GLU 148.A OE1 no hydrogen 2.696 N/A THR 157.A N ALA 153.A O no hydrogen 3.054 N/A THR 157.A OG1 ALA 153.A O no hydrogen 2.799 N/A SER 158.A N CYS 155.A O no hydrogen 2.850 N/A SER 158.A OG CYS 154.A O no hydrogen 3.505 N/A SER 158.A OG CYS 155.A O no hydrogen 2.660 N/A CYS 159.A N SER 156.A O no hydrogen 3.118 N/A SER 161.A OG ARG 205.A O no hydrogen 2.634 N/A TRP 163.A N CYS 159.A O no hydrogen 2.998 N/A TRP 163.A NE1 THR 157.A O no hydrogen 2.903 N/A TRP 164.A N PRO 160.A O no hydrogen 2.983 N/A ASN 165.A N SER 161.A O no hydrogen 3.110 N/A ASP 167.A N ASP 167.A OD1 no hydrogen 2.598 N/A LYS 168.A N ASN 165.A O no hydrogen 2.978 N/A PHE 169.A N ASN 165.A O no hydrogen 2.917 N/A ILE 170.A N SER 202.A O no hydrogen 3.090 N/A ALA 173.A N SER 156.A OG no hydrogen 3.409 N/A LEU 175.A N GLY 171.A O no hydrogen 2.940 N/A LEU 176.A N PRO 172.A O no hydrogen 2.892 N/A ALA 177.A N ALA 173.A O no hydrogen 3.045 N/A ALA 178.A N GLY 174.A O no hydrogen 2.828 N/A TYR 179.A N LEU 175.A O no hydrogen 2.866 N/A ARG 180.A N LEU 176.A O no hydrogen 2.954 N/A ARG 180.A NH1 ARG 180.A O no hydrogen 3.185 N/A ARG 180.A NH1 ASP 184.A OD2 no hydrogen 2.638 N/A PHE 181.A N ALA 177.A O no hydrogen 3.207 N/A LEU 182.A N ALA 178.A O no hydrogen 2.791 N/A ILE 183.A N TYR 179.A O no hydrogen 2.977 N/A ASP 184.A N PHE 181.A O no hydrogen 3.295 N/A ARG 186.A N ASP 184.A OD1 no hydrogen 2.952 N/A ARG 186.A NE ASP 184.A OD1 no hydrogen 2.929 N/A ARG 186.A NE ASP 184.A OD2 no hydrogen 3.427 N/A ARG 186.A NH2 ASP 184.A OD2 no hydrogen 2.879 N/A ASP 187.A N ASP 184.A O no hydrogen 2.962 N/A THR 188.A N LEU 122.A O no hydrogen 2.874 N/A THR 188.A OG1 GLU 189.A OE2 no hydrogen 2.789 N/A GLU 189.A N ASP 187.A OD2 no hydrogen 3.112 N/A ARG 193.A N GLU 189.A O no hydrogen 2.931 N/A ARG 193.A NE ASP 187.A OD2 no hydrogen 3.097 N/A ARG 193.A NH1 LYS 118.A O no hydrogen 2.804 N/A ARG 193.A NH2 LYS 118.A O no hydrogen 3.375 N/A ARG 193.A NH2 TYR 120.A O no hydrogen 2.815 N/A ARG 193.A NH2 ASP 187.A OD1 no hydrogen 2.868 N/A LEU 194.A N THR 190.A O no hydrogen 2.883 N/A ASP 195.A N ASP 191.A O no hydrogen 2.940 N/A GLY 196.A N SER 192.A O no hydrogen 3.206 N/A GLY 196.A N ARG 193.A O no hydrogen 3.101 N/A LEU 197.A N LEU 194.A O no hydrogen 2.808 N/A SER 198.A OG LEU 194.A O no hydrogen 3.200 N/A SER 198.A OG ASN 237.A OD1 no hydrogen 2.938 N/A PHE 201.A N ASP 199.A OD2 no hydrogen 2.839 N/A SER 202.A N ASP 199.A OD2 no hydrogen 2.829 N/A SER 202.A OG ASP 199.A OD1 no hydrogen 2.542 N/A SER 202.A OG ASP 199.A OD2 no hydrogen 3.194 N/A CYS 206.A N VAL 203.A O no hydrogen 3.054 N/A CYS 212.A SG THR 223.A OG1 no hydrogen 3.264 N/A SER 214.A OG ASN 211.A O no hydrogen 2.927 N/A VAL 215.A N CYS 212.A O no hydrogen 3.347 N/A CYS 216.A N CYS 212.A O no hydrogen 3.311 N/A LYS 218.A NZ GLY 58.A O no hydrogen 3.082 N/A GLY 219.A N CYS 216.A O no hydrogen 3.051 N/A ARG 224.A N ASN 221.A OD1 no hydrogen 2.960 N/A ALA 225.A N ASN 221.A O no hydrogen 3.251 N/A ILE 226.A N PRO 222.A O no hydrogen 2.712 N/A GLY 227.A N THR 223.A O no hydrogen 2.915 N/A HIS 228.A N ARG 224.A O no hydrogen 3.064 N/A ILE 229.A N ALA 225.A O no hydrogen 3.044 N/A LYS 230.A N ILE 226.A O no hydrogen 2.904 N/A LYS 230.A NZ CYS 206.A O no hydrogen 2.835 N/A SER 231.A N GLY 227.A O no hydrogen 3.052 N/A SER 231.A OG GLY 227.A O no hydrogen 3.519 N/A MET 232.A N HIS 228.A O no hydrogen 2.994 N/A LEU 233.A N ILE 229.A O no hydrogen 2.862 N/A LEU 234.A N LYS 230.A O no hydrogen 3.028 N/A GLN 235.A N SER 231.A O no hydrogen 2.897 N/A GLN 235.A NE2 GLN 235.A O no hydrogen 3.522 N/A ARG 236.A N MET 232.A O no hydrogen 3.003 N/A ARG 236.A NE ASP 195.A OD1 no hydrogen 2.867 N/A ARG 236.A NH2 ASP 195.A OD1 no hydrogen 3.332 N/A ARG 236.A NH2 ASP 195.A OD2 no hydrogen 2.886 N/A ASN 237.A N LEU 233.A O no hydrogen 2.826 N/A ASN 237.A N LEU 234.A O no hydrogen 3.228 N/A ALA 238.A N LEU 234.A O no hydrogen 2.820 N/A