Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1wt1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A OG LEU 4.A O no hydrogen 2.897 N/A THR 16.A N LYS 13.A O no hydrogen 3.057 N/A CYS 18.A SG GLY 36.A O no hydrogen 2.729 N/A ARG 19.A NE ASP 21.A OD1 no hydrogen 2.838 N/A ARG 19.A NH1 ASP 21.A OD1 no hydrogen 3.407 N/A ARG 19.A NH1 ASP 21.A OD2 no hydrogen 2.926 N/A ARG 19.A NH1 VAL 253.A O no hydrogen 3.023 N/A ARG 19.A NH2 GLU 35.A O no hydrogen 3.001 N/A THR 26.A N ALA 30.A O no hydrogen 2.815 N/A THR 26.A OG1 ALA 30.A O no hydrogen 3.464 N/A TRP 28.A N THR 26.A OG1 no hydrogen 3.272 N/A TRP 28.A NE1 PRO 233.A O no hydrogen 2.765 N/A LEU 29.A N THR 26.A O no hydrogen 2.899 N/A ALA 30.A N THR 26.A OG1 no hydrogen 3.016 N/A ILE 32.A N VAL 24.A O no hydrogen 2.844 N/A VAL 33.A N VAL 236.A O no hydrogen 2.858 N/A TRP 34.A NE1 LEU 23.A O no hydrogen 2.985 N/A GLU 35.A N GLU 240.A OE1 no hydrogen 2.712 N/A THR 37.A N TRP 34.A O no hydrogen 3.134 N/A THR 37.A OG1 TRP 34.A O no hydrogen 2.690 N/A ILE 42.A N ASN 39.A OD1 no hydrogen 3.071 N/A LEU 43.A N ASN 39.A O no hydrogen 3.304 N/A ASN 44.A N ILE 40.A O no hydrogen 2.770 N/A GLU 45.A N ASP 41.A O no hydrogen 3.118 N/A GLN 46.A N ILE 42.A O no hydrogen 3.057 N/A PHE 47.A N LEU 43.A O no hydrogen 3.005 N/A ARG 48.A N ASN 44.A O no hydrogen 2.862 N/A ARG 48.A NH2 ASN 51.A OD1 no hydrogen 3.345 N/A LEU 49.A N GLU 45.A O no hydrogen 3.015 N/A GLN 50.A N PHE 47.A O no hydrogen 3.147 N/A ASN 51.A N ARG 48.A O no hydrogen 2.812 N/A THR 52.A N PHE 47.A O no hydrogen 3.197 N/A THR 52.A OG1 PHE 47.A O no hydrogen 2.899 N/A THR 53.A N ASP 123.A OD1 no hydrogen 2.923 N/A ILE 54.A N ARG 84.A O no hydrogen 2.846 N/A GLY 55.A N TYR 124.A O no hydrogen 2.778 N/A LEU 56.A N HIS 86.A O no hydrogen 2.905 N/A THR 57.A N VAL 126.A O no hydrogen 2.888 N/A THR 57.A OG1 VAL 126.A O no hydrogen 3.447 N/A VAL 58.A N TYR 88.A O no hydrogen 3.046 N/A ALA 60.A N PHE 90.A O no hydrogen 2.834 N/A LYS 62.A N ASP 92.A OD1 no hydrogen 3.126 N/A TYR 64.A N ILE 61.A O no hydrogen 3.061 N/A VAL 65.A N LYS 62.A O no hydrogen 3.348 N/A ALA 66.A N LYS 63.A O no hydrogen 3.199 N/A PHE 67.A N TYR 64.A O no hydrogen 3.079 N/A LEU 68.A N VAL 65.A O no hydrogen 3.253 N/A LYS 69.A NZ GLU 73.A OE1 no hydrogen 3.546 N/A LYS 69.A NZ GLU 73.A OE2 no hydrogen 2.744 N/A PHE 71.A N PHE 67.A O no hydrogen 3.136 N/A LEU 72.A N LEU 68.A O no hydrogen 2.860 N/A GLU 73.A N LYS 69.A O no hydrogen 2.903 N/A THR 74.A N LEU 70.A O no hydrogen 3.020 N/A THR 74.A OG1 LEU 70.A O no hydrogen 2.845 N/A THR 74.A OG1 PHE 71.A O no hydrogen 3.124 N/A ALA 75.A N PHE 71.A O no hydrogen 3.031 N/A GLU 76.A N LEU 72.A O no hydrogen 2.996 N/A LYS 77.A N THR 74.A O no hydrogen 3.023 N/A HIS 78.A N THR 74.A O no hydrogen 2.899 N/A PHE 79.A N ALA 75.A O no hydrogen 2.751 N/A MET 80.A N VAL 138.A O no hydrogen 2.928 N/A HIS 83.A N MET 80.A O no hydrogen 2.978 N/A VAL 85.A N GLY 105.A O no hydrogen 3.388 N/A HIS 86.A N ILE 54.A O no hydrogen 2.876 N/A HIS 86.A NE2 SER 109.A OG no hydrogen 2.703 N/A TYR 87.A N GLN 107.A O no hydrogen 2.775 N/A TYR 87.A OH GLU 76.A OE2 no hydrogen 2.634 N/A TYR 88.A N LEU 56.A O no hydrogen 2.784 N/A TYR 88.A OH GLU 121.A OE1 no hydrogen 2.658 N/A VAL 89.A N SER 109.A O no hydrogen 2.922 N/A PHE 90.A N VAL 58.A O no hydrogen 2.912 N/A THR 91.A N LEU 111.A O no hydrogen 2.971 N/A THR 91.A OG1 ALA 60.A O no hydrogen 2.707 N/A GLN 93.A N THR 91.A OG1 no hydrogen 3.029 N/A ALA 96.A N GLN 93.A O no hydrogen 2.959 N/A VAL 97.A N PRO 94.A O no hydrogen 3.181 N/A GLY 103.A N GLU 76.A OE1 no hydrogen 2.697 N/A ARG 106.A NE GLU 76.A OE2 no hydrogen 2.704 N/A ARG 106.A NH1 GLU 76.A OE2 no hydrogen 3.500 N/A ARG 106.A NH1 PHE 79.A O no hydrogen 2.875 N/A ARG 106.A NH1 TYR 87.A OH no hydrogen 2.808 N/A ARG 106.A NH2 PHE 79.A O no hydrogen 2.999 N/A ARG 106.A NH2 MET 80.A O no hydrogen 3.392 N/A GLN 107.A N VAL 85.A O no hydrogen 2.974 N/A SER 109.A N TYR 87.A O no hydrogen 2.863 N/A SER 109.A OG HIS 86.A NE2 no hydrogen 2.703 N/A LEU 111.A N VAL 89.A O no hydrogen 2.811 N/A VAL 113.A N THR 91.A O no hydrogen 3.003 N/A ARG 117.A N CYS 114.A O no hydrogen 3.124 N/A SER 120.A N ARG 117.A O no hydrogen 2.895 N/A SER 120.A OG ARG 117.A O no hydrogen 2.916 N/A GLU 121.A N ARG 117.A O no hydrogen 2.949 N/A GLU 121.A N PHE 118.A O no hydrogen 3.228 N/A VAL 122.A N PHE 118.A O no hydrogen 3.056 N/A ASP 123.A N THR 53.A O no hydrogen 2.956 N/A TYR 124.A N THR 53.A O no hydrogen 3.372 N/A LEU 125.A N GLY 190.A O no hydrogen 2.837 N/A VAL 126.A N GLY 55.A O no hydrogen 2.806 N/A CYS 127.A N PHE 188.A O no hydrogen 2.846 N/A CYS 127.A SG PHE 188.A O no hydrogen 3.783 N/A VAL 128.A N THR 57.A O no hydrogen 3.283 N/A MET 132.A N VAL 130.A O no hydrogen 2.711 N/A GLU 133.A N THR 260.A O no hydrogen 2.906 N/A PHE 134.A N THR 74.A OG1 no hydrogen 2.940 N/A ARG 135.A N ARG 258.A O no hydrogen 2.749 N/A ARG 135.A NH1 GLN 245.A OE1 no hydrogen 2.698 N/A ARG 135.A NH2 GLN 245.A OE1 no hydrogen 3.154 N/A ASP 136.A N ARG 258.A O no hydrogen 3.200 N/A HIS 137.A N ASP 136.A OD1 no hydrogen 2.665 N/A HIS 137.A NE2 GLU 141.A OE2 no hydrogen 2.891 N/A VAL 138.A N HIS 78.A O no hydrogen 3.050 N/A GLY 139.A N GLU 141.A OE1 no hydrogen 2.896 N/A GLU 141.A N GLU 141.A OE2 no hydrogen 2.716 N/A ILE 142.A N GLY 139.A O no hydrogen 3.197 N/A LEU 143.A N VAL 140.A O no hydrogen 3.030 N/A THR 144.A OG1 THR 234.A OG1 no hydrogen 2.576 N/A LEU 146.A N THR 234.A OG1 no hydrogen 2.964 N/A PHE 147.A N GLY 189.A O no hydrogen 2.861 N/A THR 149.A OG1 PHE 187.A O no hydrogen 2.863 N/A LEU 150.A N LEU 237.A O no hydrogen 2.862 N/A HIS 151.A N TYR 182.A O no hydrogen 2.991 N/A PHE 154.A N HIS 151.A O no hydrogen 3.223 N/A SER 157.A N PHE 154.A O no hydrogen 2.971 N/A ARG 159.A NE GLY 179.A O no hydrogen 3.072 N/A ARG 159.A NH1 GLY 179.A O no hydrogen 2.852 N/A GLU 160.A N GLU 160.A OE1 no hydrogen 2.658 N/A ALA 161.A N SER 158.A O no hydrogen 2.973 N/A PHE 162.A N ARG 159.A O no hydrogen 3.069 N/A THR 163.A OG1 TYR 182.A OH no hydrogen 3.184 N/A TYR 164.A OH PHE 181.A O no hydrogen 2.691 N/A ARG 166.A NH1 ILE 174.A O no hydrogen 2.742 N/A ARG 166.A NH2 ARG 159.A O no hydrogen 2.974 N/A ARG 166.A NH2 PHE 162.A O no hydrogen 3.020 N/A ARG 167.A N GLU 165.A OE1 no hydrogen 2.867 N/A ARG 167.A NE GLU 165.A OE1 no hydrogen 2.635 N/A ARG 167.A NH2 GLU 165.A OE1 no hydrogen 3.474 N/A ARG 167.A NH2 GLU 165.A OE2 no hydrogen 3.035 N/A ARG 167.A NH2 GLU 215.A O no hydrogen 2.788 N/A SER 170.A N ARG 167.A O no hydrogen 2.925 N/A SER 170.A OG ASP 209.A OD2 no hydrogen 2.644 N/A GLN 171.A N ASP 209.A OD1 no hydrogen 2.793 N/A ALA 172.A N SER 170.A OG no hydrogen 3.170 N/A TYR 173.A N SER 170.A O no hydrogen 3.060 N/A ILE 174.A N GLU 165.A O no hydrogen 3.033 N/A GLU 178.A N PRO 175.A O no hydrogen 3.072 N/A TYR 182.A OH GLU 221.A OE2 no hydrogen 2.593 N/A TYR 183.A N ASN 225.A OD1 no hydrogen 2.820 N/A LEU 184.A N THR 149.A O no hydrogen 2.919 N/A GLY 185.A N GLU 221.A OE1 no hydrogen 2.866 N/A PHE 188.A N CYS 127.A O no hydrogen 3.275 N/A GLY 189.A N PHE 147.A O no hydrogen 3.276 N/A GLY 190.A N LEU 125.A O no hydrogen 3.011 N/A SER 191.A N PRO 145.A O no hydrogen 2.840 N/A GLU 194.A N SER 191.A OG no hydrogen 3.179 N/A VAL 195.A N SER 191.A O no hydrogen 2.929 N/A GLN 196.A N VAL 192.A O no hydrogen 2.916 N/A GLN 196.A NE2 GLU 115.A O no hydrogen 2.924 N/A ARG 197.A N GLN 193.A O no hydrogen 3.055 N/A LEU 198.A N GLU 194.A O no hydrogen 3.016 N/A THR 199.A N VAL 195.A O no hydrogen 2.946 N/A THR 199.A OG1 VAL 195.A O no hydrogen 3.254 N/A THR 199.A OG1 GLN 196.A O no hydrogen 3.150 N/A ARG 200.A N GLN 196.A O no hydrogen 2.877 N/A ALA 201.A N ARG 197.A O no hydrogen 3.099 N/A CYS 202.A N LEU 198.A O no hydrogen 2.908 N/A HIS 203.A N THR 199.A O no hydrogen 2.871 N/A GLN 204.A N ARG 200.A O no hydrogen 3.087 N/A ALA 205.A N ALA 201.A O no hydrogen 2.958 N/A MET 206.A N CYS 202.A O no hydrogen 2.948 N/A MET 207.A N HIS 203.A O no hydrogen 3.118 N/A VAL 208.A N GLN 204.A O no hydrogen 3.021 N/A ASP 209.A N ALA 205.A O no hydrogen 3.007 N/A GLN 210.A N MET 206.A O no hydrogen 3.015 N/A ALA 211.A N MET 207.A O no hydrogen 3.009 N/A ASN 212.A N VAL 208.A O no hydrogen 3.103 N/A ASN 212.A N ASP 209.A O no hydrogen 3.019 N/A GLY 213.A N GLN 210.A O no hydrogen 3.064 N/A ILE 214.A N ASP 209.A O no hydrogen 2.912 N/A VAL 217.A N GLU 165.A OE2 no hydrogen 2.769 N/A TRP 218.A N SER 222.A OG no hydrogen 2.898 N/A HIS 219.A N ALA 216.A O no hydrogen 2.951 N/A GLU 221.A N TRP 218.A O no hydrogen 3.082 N/A SER 222.A N HIS 219.A O no hydrogen 2.905 N/A HIS 223.A N HIS 219.A O no hydrogen 3.352 N/A HIS 223.A ND1 HIS 219.A O no hydrogen 3.224 N/A LEU 224.A N ASP 220.A O no hydrogen 2.878 N/A ASN 225.A N GLU 221.A O no hydrogen 3.058 N/A ASN 225.A ND2 TYR 183.A O no hydrogen 2.899 N/A ASN 225.A ND2 GLU 221.A O no hydrogen 2.937 N/A LYS 226.A N SER 222.A O no hydrogen 3.173 N/A LYS 226.A NZ GLN 171.A O no hydrogen 2.914 N/A LYS 226.A NZ TYR 173.A O no hydrogen 2.865 N/A TYR 227.A N HIS 223.A O no hydrogen 2.860 N/A LEU 228.A N LEU 224.A O no hydrogen 2.918 N/A LEU 229.A N ASN 225.A O no hydrogen 3.041 N/A ARG 230.A N LYS 226.A O no hydrogen 3.235 N/A HIS 231.A N TYR 227.A O no hydrogen 2.751 N/A HIS 231.A ND1 TYR 227.A O no hydrogen 2.986 N/A LYS 232.A NZ ASP 180.A OD2 no hydrogen 2.692 N/A LYS 232.A NZ LEU 229.A O no hydrogen 2.823 N/A THR 234.A N LEU 146.A O no hydrogen 2.695 N/A THR 234.A OG1 THR 144.A OG1 no hydrogen 2.576 N/A THR 234.A OG1 LEU 146.A O no hydrogen 3.032 N/A LYS 235.A N LEU 146.A O no hydrogen 3.384 N/A LYS 235.A NZ GLU 141.A O no hydrogen 2.771 N/A LYS 235.A NZ LEU 143.A O no hydrogen 2.757 N/A VAL 236.A N PRO 31.A O no hydrogen 3.020 N/A LEU 237.A N GLY 148.A O no hydrogen 2.865 N/A SER 238.A N VAL 33.A O no hydrogen 3.145 N/A SER 238.A OG VAL 33.A O no hydrogen 2.747 N/A GLU 240.A N SER 238.A OG no hydrogen 3.377 N/A TYR 241.A N SER 238.A O no hydrogen 3.042 N/A TYR 241.A OH GLU 141.A OE1 no hydrogen 2.695 N/A LEU 242.A N PRO 239.A O no hydrogen 3.154 N/A TRP 243.A N PHE 259.A O no hydrogen 2.905 N/A TRP 243.A NE1 GLY 249.A O no hydrogen 2.731 N/A LEU 247.A N ASP 244.A OD1 no hydrogen 3.104 N/A LEU 248.A N ASP 244.A O no hydrogen 2.776 N/A GLY 249.A N GLN 245.A O no hydrogen 2.752 N/A TRP 250.A NE1 LEU 254.A O no hydrogen 2.753 N/A LEU 254.A N PRO 251.A O no hydrogen 2.988 N/A ARG 258.A N GLU 240.A O no hydrogen 2.930 N/A ARG 258.A NE GLU 240.A OE2 no hydrogen 2.865 N/A ARG 258.A NH1 HIS 137.A O no hydrogen 2.840 N/A ARG 258.A NH2 GLU 35.A OE2 no hydrogen 2.784 N/A ARG 258.A NH2 GLU 240.A OE2 no hydrogen 2.925 N/A THR 260.A N GLU 133.A O no hydrogen 2.968 N/A THR 260.A OG1 TRP 243.A O no hydrogen 2.854 N/A THR 260.A OG1 ALA 261.A O no hydrogen 3.199 N/A ALA 261.A N TRP 243.A O no hydrogen 3.223 N/A VAL 262.A N ASP 131.A O no hydrogen 3.296 N/A