Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2wub_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 1.A N ASP 187.A OD2 no hydrogen 3.446 N/A SER 5.A OG SER 6.A O no hydrogen 3.508 N/A SER 7.A N LEU 147.A O no hydrogen 3.341 N/A SER 7.A OG LEU 8.A O no hydrogen 3.399 N/A SER 7.A OG HIS 12.A NE2 no hydrogen 3.225 N/A SER 7.A OG GLU 149.A OE1 no hydrogen 3.398 N/A SER 11.A N LEU 8.A O no hydrogen 3.101 N/A SER 11.A OG LEU 8.A O no hydrogen 2.810 N/A HIS 12.A NE2 GLU 149.A OE1 no hydrogen 2.881 N/A LEU 15.A N HIS 12.A O no hydrogen 2.923 N/A ALA 16.A N GLY 27.A O no hydrogen 2.828 N/A ALA 17.A N VAL 54.A O no hydrogen 3.022 N/A ILE 18.A N CYS 25.A O no hydrogen 2.772 N/A TYR 19.A N SER 52.A O no hydrogen 2.771 N/A TYR 19.A OH GLN 57.A OE1 no hydrogen 3.077 N/A ILE 20.A N SER 23.A O no hydrogen 3.144 N/A GLY 21.A N SER 50.A O no hydrogen 2.848 N/A SER 23.A N ILE 20.A O no hydrogen 3.102 N/A CYS 25.A N ILE 18.A O no hydrogen 2.939 N/A CYS 25.A SG PHE 24.A O no hydrogen 3.317 N/A ALA 26.A N SER 188.A O no hydrogen 3.059 N/A GLY 27.A N ALA 16.A O no hydrogen 2.886 N/A SER 28.A N VAL 36.A O no hydrogen 2.908 N/A LEU 29.A N TRP 14.A O no hydrogen 2.812 N/A VAL 30.A N TRP 34.A O no hydrogen 3.072 N/A THR 32.A OG1 ALA 104.A O no hydrogen 2.908 N/A CYS 33.A N HIS 31.A ND1 no hydrogen 2.799 N/A TRP 34.A N HIS 31.A O no hydrogen 3.107 N/A VAL 35.A N ILE 94.A O no hydrogen 2.823 N/A VAL 36.A N SER 28.A O no hydrogen 2.902 N/A SER 37.A N VAL 92.A O no hydrogen 3.059 N/A SER 37.A OG ALA 26.A O no hydrogen 2.894 N/A ALA 38.A N SER 37.A OG no hydrogen 2.501 N/A HIS 40.A N ASP 90.A OD1 no hydrogen 2.911 N/A HIS 40.A ND1 ASP 90.A OD2 no hydrogen 2.638 N/A CYS 41.A N ALA 38.A O no hydrogen 3.246 N/A CYS 41.A SG HIS 40.A NE2 no hydrogen 3.871 N/A CYS 41.A SG SER 188.A O no hydrogen 3.704 N/A PHE 42.A N ALA 39.A O no hydrogen 3.048 N/A SER 43.A OG HIS 40.A O no hydrogen 3.417 N/A SER 50.A N PRO 47D.A O no hydrogen 2.866 N/A SER 50.A OG PRO 47D.A O no hydrogen 2.500 N/A VAL 51.A N ARG 48.A O no hydrogen 3.244 N/A SER 52.A N TYR 19.A O no hydrogen 2.853 N/A VAL 53.A N PHE 70.A O no hydrogen 2.918 N/A VAL 54.A N ALA 17.A O no hydrogen 2.922 N/A LEU 55.A N GLN 68.A O no hydrogen 2.727 N/A GLN 57.A NE2 TYR 19.A OH no hydrogen 3.171 N/A PHE 60.A N SER 145.A O no hydrogen 3.027 N/A ASN 61.A N TYR 19.A OH no hydrogen 2.750 N/A ARG 62.A N PHE 59.A O no hydrogen 3.214 N/A THR 63.A OG1 THR 67.A OG1 no hydrogen 3.345 N/A THR 64.A N THR 67.A OG1 no hydrogen 3.164 N/A VAL 66.A N THR 64.A OG1 no hydrogen 3.015 N/A THR 67.A OG1 THR 63.A OG1 no hydrogen 3.345 N/A THR 67.A OG1 THR 64.A O no hydrogen 3.329 N/A GLN 68.A N LEU 55.A O no hydrogen 2.851 N/A GLN 68.A NE2 THR 105.A O no hydrogen 2.961 N/A PHE 70.A N VAL 53.A O no hydrogen 2.791 N/A GLU 73.A N ARG 95.A O no hydrogen 2.594 N/A TYR 75.A OH PRO 46C.A O no hydrogen 2.790 N/A ILE 76.A N LEU 93.A O no hydrogen 2.807 N/A TYR 81.A N TYR 78.A O no hydrogen 2.791 N/A PHE 84.A N SER 82.A OG no hydrogen 3.203 N/A ASN 85.A N SER 82.A O no hydrogen 2.926 N/A ASP 88.A N ASN 85.A O no hydrogen 3.263 N/A HIS 89.A ND1 TYR 222.A OH no hydrogen 2.886 N/A VAL 92.A N SER 37.A O no hydrogen 2.796 N/A LEU 93.A N ILE 76.A O no hydrogen 2.767 N/A ILE 94.A N VAL 35.A O no hydrogen 2.788 N/A ARG 95.A N LYS 74.A O no hydrogen 3.004 N/A LEU 96.A N CYS 33.A O no hydrogen 2.983 N/A LYS 97.A N GLY 71.A O no hydrogen 2.865 N/A LYS 99.A N ARG 102C.A O no hydrogen 2.834 N/A LYS 99.A NZ THR 69.A O no hydrogen 3.120 N/A ALA 104.A N THR 32.A O no hydrogen 2.689 N/A THR 105.A N GLN 68.A OE1 no hydrogen 3.054 N/A THR 105.A OG1 GLN 68.A OE1 no hydrogen 2.775 N/A SER 107.A N VAL 110.A O no hydrogen 3.069 N/A PHE 109.A N SER 107.A OG no hydrogen 2.887 N/A VAL 110.A N SER 107.A OG no hydrogen 3.237 N/A GLN 111.A N PRO 13.A O no hydrogen 3.352 N/A GLN 111.A NE2 SER 107.A O no hydrogen 3.012 N/A GLN 111.A NE2 VAL 110.A O no hydrogen 2.589 N/A ILE 113.A N LEU 29.A O no hydrogen 2.796 N/A CYS 114.A N ALA 200.A O no hydrogen 3.183 N/A SER 120.A N GLU 117.A O no hydrogen 3.110 N/A SER 120.A N PRO 118.A O no hydrogen 2.624 N/A SER 120.A OG GLU 117.A O no hydrogen 3.051 N/A PHE 122.A N TYR 203.A OH no hydrogen 3.050 N/A GLY 125.A N LEU 154.A O no hydrogen 2.461 N/A HIS 126.A N PRO 123.A O no hydrogen 2.964 N/A CYS 128.A N VAL 152.A O no hydrogen 2.935 N/A CYS 128.A SG HIS 126.A O no hydrogen 3.974 N/A GLN 129.A N ALA 193.A O no hydrogen 2.759 N/A ILE 130.A N ALA 150.A O no hydrogen 3.278 N/A GLY 132.A N ARG 148.A O no hydrogen 2.758 N/A TRP 133.A NE1 HIS 58.A O no hydrogen 2.888 N/A GLY 134.A N ASP 187.A OD1 no hydrogen 2.793 N/A HIS 135.A N GLN 185.A O no hydrogen 3.294 N/A VAL 140.A N ASP 137.A OD2 no hydrogen 2.819 N/A SER 144.A N TRP 133.A O no hydrogen 3.087 N/A SER 144.A OG SER 146.A O no hydrogen 2.667 N/A SER 146.A OG HIS 58.A NE2 no hydrogen 3.360 N/A LEU 147.A N HIS 58.A O no hydrogen 2.939 N/A ARG 148.A N GLY 132.A O no hydrogen 3.415 N/A ARG 148.A NH1 GLY 4.A O no hydrogen 3.447 N/A ALA 150.A N ILE 130.A O no hydrogen 2.830 N/A VAL 152.A N CYS 128.A O no hydrogen 2.859 N/A LEU 154.A N HIS 126.A O no hydrogen 2.893 N/A VAL 155.A N CYS 176.A O no hydrogen 3.210 N/A LYS 159.A N ALA 156.A O no hydrogen 3.036 N/A SER 161.A N ASP 157.A O no hydrogen 3.104 N/A VAL 165.A N SER 162.A O no hydrogen 3.028 N/A TYR 166.A OH PRO 213.A O no hydrogen 2.618 N/A GLY 167.A N CYS 160.A O no hydrogen 3.338 N/A ILE 170.A N ALA 168.A O no hydrogen 2.956 N/A SER 171.A OG ASP 88.A OD1 no hydrogen 3.232 N/A ASN 173.A N SER 171.A OG no hydrogen 3.183 N/A MET 174.A N SER 171.A O no hydrogen 2.979 N/A LEU 175.A N TYR 216.A O no hydrogen 2.778 N/A ALA 177.A N GLY 214.A O no hydrogen 3.204 N/A TYR 179.A OH LEU 151.A O no hydrogen 2.758 N/A GLY 189.A N ILE 206.A O no hydrogen 2.689 N/A GLY 190.A N ASP 187.A O no hydrogen 2.704 N/A LEU 192.A N GLY 204.A O no hydrogen 3.015 N/A ALA 193.A N GLN 129.A O no hydrogen 3.070 N/A CYS 194.A N TYR 201.A O no hydrogen 3.212 N/A CYS 194.A SG LEU 192.A O no hydrogen 4.047 N/A LYS 196.A N VAL 199.A O no hydrogen 2.966 N/A VAL 199.A N LYS 196.A O no hydrogen 2.987 N/A TYR 201.A N CYS 194.A O no hydrogen 3.082 N/A LEU 202.A N CYS 114.A O no hydrogen 2.833 N/A TYR 203.A N LEU 192.A O no hydrogen 3.128 N/A GLY 204.A N LEU 192.A O no hydrogen 3.291 N/A ILE 205.A N THR 217.A O no hydrogen 3.231 N/A ILE 206.A N GLY 190.A O no hydrogen 2.775 N/A SER 207.A OG ASP 90.A OD2 no hydrogen 2.792 N/A SER 207.A OG THR 217.A OG1 no hydrogen 3.182 N/A GLY 214.A N ALA 177.A O no hydrogen 2.838 N/A TYR 216.A N LEU 175.A O no hydrogen 2.898 N/A THR 217.A N ILE 205.A O no hydrogen 2.971 N/A THR 217.A OG1 ASP 90.A O no hydrogen 3.016 N/A THR 217.A OG1 SER 207.A OG no hydrogen 3.182 N/A ARG 218.A N ASN 173.A O no hydrogen 2.746 N/A ARG 218.A NE PRO 172.A O no hydrogen 3.159 N/A ARG 218.A NH2 ASP 157.A OD1 no hydrogen 2.863 N/A ARG 218.A NH2 MET 174.A O no hydrogen 3.245 N/A VAL 219.A N THR 217.A O no hydrogen 2.644 N/A ASN 221.A N ARG 218.A O no hydrogen 2.694 N/A ASN 221.A ND2 PRO 172.A O no hydrogen 2.875 N/A ASN 221.A ND2 ASN 173.A OD1 no hydrogen 3.118 N/A TYR 222.A N VAL 219.A O no hydrogen 2.865 N/A TYR 222.A OH HIS 89.A ND1 no hydrogen 2.886 N/A VAL 223.A N ALA 220.A O no hydrogen 3.502 N/A TRP 225.A NE1 THR 79.A OG1 no hydrogen 3.194 N/A ILE 226.A N TYR 222.A O no hydrogen 2.793 N/A ASN 227.A N VAL 223.A O no hydrogen 2.875 N/A ASP 228.A N ASP 224.A O no hydrogen 2.842 N/A ARG 229.A N TRP 225.A O no hydrogen 3.162 N/A ILE 230.A N ILE 226.A O no hydrogen 3.208 N/A ARG 231.A NH1 ASP 228.A O no hydrogen 2.538 N/A PRO 232.A N ILE 230.A O no hydrogen 2.609 N/A GLY 178A.A N PRO 153.A O no hydrogen 3.111 N/A SER 45B.A N PHE 42.A O no hydrogen 2.693 N/A CYS 103D.A N THR 32.A OG1 no hydrogen 3.016 N/A CYS 103D.A SG LEU 96.A O no hydrogen 3.343 N/A CYS 103D.A SG LYS 97.A O no hydrogen 3.329 N/A