Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2wfl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A NE2 GLY 29.A O no hydrogen 3.036 N/A LYS 3.A NZ SER 253.A O no hydrogen 2.987 N/A HIS 4.A NE2 THR 33.A OG1 no hydrogen 2.727 N/A PHE 5.A N LYS 31.A O no hydrogen 2.901 N/A VAL 6.A N VAL 74.A O no hydrogen 2.799 N/A LEU 7.A N THR 33.A O no hydrogen 2.825 N/A VAL 8.A N LEU 76.A O no hydrogen 2.752 N/A HIS 9.A ND1 GLY 10.A O no hydrogen 2.858 N/A CYS 12.A SG MET 147.A O no hydrogen 3.501 N/A ALA 15.A N ASP 36.A OD1 no hydrogen 2.719 N/A ILE 17.A N GLY 14.A O no hydrogen 3.188 N/A TRP 18.A N ALA 15.A O no hydrogen 2.884 N/A TYR 19.A N TRP 16.A O no hydrogen 3.108 N/A TYR 19.A OH ASP 166.A OD1 no hydrogen 2.483 N/A LYS 20.A NZ ASP 166.A OD2 no hydrogen 2.507 N/A LYS 22.A N TRP 18.A O no hydrogen 2.800 N/A LEU 25.A N LEU 21.A O no hydrogen 2.886 N/A GLU 26.A N LYS 22.A O no hydrogen 2.906 N/A SER 27.A N PRO 23.A O no hydrogen 2.870 N/A SER 27.A OG PRO 23.A O no hydrogen 2.959 N/A ALA 28.A N LEU 24.A O no hydrogen 3.076 N/A GLY 29.A N GLU 26.A O no hydrogen 2.934 N/A HIS 30.A N LEU 25.A O no hydrogen 3.092 N/A LYS 31.A N LYS 3.A O no hydrogen 2.914 N/A THR 33.A N PHE 5.A O no hydrogen 2.874 N/A THR 33.A OG1 HIS 4.A NE2 no hydrogen 2.727 N/A VAL 35.A N LEU 7.A O no hydrogen 3.344 N/A LEU 37.A N HIS 9.A NE2 no hydrogen 2.875 N/A SER 38.A N TYR 56.A O no hydrogen 3.012 N/A SER 38.A OG ASP 55.A O no hydrogen 2.624 N/A SER 38.A OG TYR 56.A O no hydrogen 3.296 N/A ALA 40.A N LEU 37.A O no hydrogen 3.020 N/A ILE 42.A N ASP 36.A OD2 no hydrogen 3.042 N/A ASN 43.A N ALA 40.A O no hydrogen 2.817 N/A ARG 46.A N GLU 49.A OE2 no hydrogen 2.847 N/A GLU 49.A N ARG 46.A O no hydrogen 2.882 N/A ILE 50.A N LEU 47.A O no hydrogen 2.644 N/A PHE 53.A N ASP 183.A OD2 no hydrogen 2.806 N/A ASP 55.A N THR 52.A OG1 no hydrogen 2.926 N/A TYR 56.A N THR 52.A O no hydrogen 3.014 N/A SER 57.A N PHE 53.A O no hydrogen 2.868 N/A SER 57.A OG PHE 53.A O no hydrogen 3.033 N/A SER 57.A OG SER 84.A OG no hydrogen 2.669 N/A GLU 58.A N ASP 55.A O no hydrogen 3.334 N/A MET 61.A N SER 57.A O no hydrogen 3.077 N/A GLU 62.A N GLU 58.A O no hydrogen 2.805 N/A VAL 63.A N PRO 59.A O no hydrogen 3.231 N/A MET 64.A N LEU 60.A O no hydrogen 2.866 N/A ALA 65.A N MET 61.A O no hydrogen 2.645 N/A SER 66.A N GLU 62.A O no hydrogen 3.123 N/A SER 66.A N VAL 63.A O no hydrogen 3.051 N/A SER 66.A OG GLU 62.A O no hydrogen 3.466 N/A SER 66.A OG VAL 63.A O no hydrogen 2.936 N/A ILE 67.A N MET 64.A O no hydrogen 3.318 N/A GLU 71.A N PRO 68.A O no hydrogen 3.223 N/A VAL 73.A N LYS 95.A O no hydrogen 2.805 N/A VAL 74.A N HIS 4.A O no hydrogen 2.768 N/A LEU 75.A N VAL 98.A O no hydrogen 3.083 N/A LEU 76.A N VAL 6.A O no hydrogen 2.821 N/A GLY 77.A N VAL 100.A O no hydrogen 2.800 N/A HIS 78.A N VAL 8.A O no hydrogen 2.870 N/A HIS 78.A NE2 HIS 236.A O no hydrogen 2.659 N/A SER 79.A N MET 102.A O no hydrogen 3.360 N/A SER 79.A OG HIS 236.A NE2 no hydrogen 3.236 N/A GLY 81.A N HIS 78.A O no hydrogen 2.714 N/A GLY 82.A N SER 79.A O no hydrogen 2.787 N/A MET 83.A N PHE 80.A O no hydrogen 2.815 N/A SER 84.A OG SER 57.A OG no hydrogen 2.669 N/A LEU 85.A N GLY 81.A O no hydrogen 2.918 N/A GLY 86.A N GLY 82.A O no hydrogen 3.038 N/A LEU 87.A N MET 83.A O no hydrogen 3.217 N/A ALA 88.A N SER 84.A O no hydrogen 2.902 N/A MET 89.A N LEU 85.A O no hydrogen 2.702 N/A GLU 90.A N GLY 86.A O no hydrogen 2.724 N/A THR 91.A N LEU 87.A O no hydrogen 2.950 N/A THR 91.A OG1 LEU 87.A O no hydrogen 2.640 N/A TYR 92.A N ALA 88.A O no hydrogen 2.772 N/A LYS 95.A N TYR 92.A O no hydrogen 2.920 N/A LYS 95.A NZ PRO 68.A O no hydrogen 2.752 N/A LYS 95.A NZ GLU 71.A O no hydrogen 2.995 N/A ILE 96.A N PRO 93.A O no hydrogen 3.234 N/A SER 97.A N VAL 73.A O no hydrogen 2.865 N/A SER 97.A OG VAL 73.A O no hydrogen 3.438 N/A ALA 99.A N LYS 199.A O no hydrogen 2.746 N/A VAL 100.A N LEU 75.A O no hydrogen 2.758 N/A PHE 101.A N ALA 201.A O no hydrogen 2.778 N/A MET 102.A N GLY 77.A O no hydrogen 2.910 N/A SER 103.A OG ASP 208.A OD2 no hydrogen 2.672 N/A ALA 104.A N TYR 202.A OH no hydrogen 2.963 N/A ASN 110.A N ASP 108.A OD1 no hydrogen 2.806 N/A HIS 111.A N ASP 108.A O no hydrogen 2.973 N/A SER 112.A OG THR 114.A OG1 no hydrogen 3.210 N/A THR 114.A OG1 SER 112.A OG no hydrogen 3.210 N/A THR 114.A OG1 GLU 118.A OE2 no hydrogen 3.101 N/A TYR 115.A N SER 112.A O no hydrogen 3.142 N/A PHE 117.A N THR 114.A O no hydrogen 2.783 N/A GLU 118.A N THR 114.A O no hydrogen 2.747 N/A LYS 119.A N TYR 115.A O no hydrogen 2.892 N/A TYR 120.A N PRO 116.A O no hydrogen 2.871 N/A ASN 121.A N PHE 117.A O no hydrogen 2.817 N/A GLU 122.A N LYS 119.A O no hydrogen 2.946 N/A LYS 123.A N LYS 119.A O no hydrogen 3.000 N/A MET 128.A N PRO 125.A O no hydrogen 3.270 N/A LEU 130.A N ASP 127.A O no hydrogen 3.140 N/A SER 132.A N MET 129.A O no hydrogen 2.906 N/A SER 132.A OG MET 129.A O no hydrogen 2.724 N/A GLN 133.A N ILE 148.A O no hydrogen 3.069 N/A SER 135.A N SER 146.A O no hydrogen 3.008 N/A SER 135.A OG SER 146.A OG no hydrogen 3.308 N/A TYR 137.A N GLY 144.A O no hydrogen 2.856 N/A TYR 137.A OH ILE 50.A O no hydrogen 2.792 N/A ASN 142.A N ASN 139.A O no hydrogen 2.719 N/A GLY 144.A N TYR 137.A O no hydrogen 2.657 N/A SER 146.A N SER 135.A O no hydrogen 2.669 N/A SER 146.A OG SER 135.A O no hydrogen 3.163 N/A MET 147.A N GLY 177.A O no hydrogen 2.622 N/A ILE 148.A N GLN 133.A O no hydrogen 2.955 N/A GLY 150.A N SER 132.A OG no hydrogen 3.064 N/A GLN 152.A N ASP 131.A OD2 no hydrogen 2.839 N/A PHE 153.A N ASP 131.A OD1 no hydrogen 2.963 N/A MET 154.A N GLY 150.A O no hydrogen 2.815 N/A ALA 155.A N PRO 151.A O no hydrogen 2.835 N/A LEU 156.A N GLN 152.A O no hydrogen 2.799 N/A LYS 157.A N PHE 153.A O no hydrogen 2.733 N/A MET 158.A N MET 154.A O no hydrogen 3.080 N/A PHE 159.A N MET 154.A O no hydrogen 2.810 N/A GLN 160.A N GLN 160.A OE1 no hydrogen 2.921 N/A GLN 160.A NE2 GLU 207.A O no hydrogen 2.780 N/A ASN 161.A N ASP 235.A OD2 no hydrogen 2.667 N/A ASN 161.A ND2 GLU 207.A OE1 no hydrogen 2.891 N/A ASN 161.A ND2 GLU 233.A O no hydrogen 2.894 N/A CYS 162.A N PHE 159.A O no hydrogen 2.894 N/A CYS 162.A SG ASP 235.A OD1 no hydrogen 3.802 N/A CYS 162.A SG ASP 235.A OD2 no hydrogen 3.276 N/A CYS 162.A SG MET 237.A O no hydrogen 3.884 N/A SER 163.A OG ASP 166.A OD2 no hydrogen 3.151 N/A ASP 166.A N SER 163.A OG no hydrogen 3.051 N/A LEU 167.A N SER 163.A O no hydrogen 3.108 N/A GLU 168.A N VAL 164.A O no hydrogen 2.649 N/A LEU 169.A N GLU 165.A O no hydrogen 2.940 N/A ALA 170.A N ASP 166.A O no hydrogen 2.923 N/A LYS 171.A N LEU 167.A O no hydrogen 2.804 N/A MET 172.A N GLU 168.A O no hydrogen 2.892 N/A LEU 173.A N ALA 170.A O no hydrogen 3.237 N/A THR 174.A N ALA 170.A O no hydrogen 2.904 N/A THR 174.A OG1 CYS 12.A O no hydrogen 2.768 N/A ARG 175.A N CYS 12.A O no hydrogen 3.397 N/A ARG 175.A NH1 GLY 41.A O no hydrogen 2.786 N/A ARG 175.A NH1 ASN 43.A O no hydrogen 2.834 N/A ARG 175.A NH2 ARG 45.A O no hydrogen 2.751 N/A GLY 177.A N MET 147.A O no hydrogen 2.774 N/A SER 178.A OG MET 145.A O no hydrogen 2.874 N/A PHE 180.A N SER 178.A OG no hydrogen 3.024 N/A GLN 182.A N GLN 182.A OE1 no hydrogen 2.921 N/A GLN 182.A NE2 ASN 142.A O no hydrogen 3.513 N/A LEU 184.A N PHE 180.A O no hydrogen 2.714 N/A ALA 185.A N PHE 181.A O no hydrogen 2.698 N/A LYS 186.A N ASP 183.A O no hydrogen 2.894 N/A LYS 186.A NZ GLN 182.A O no hydrogen 3.073 N/A ALA 187.A N ASP 183.A O no hydrogen 3.190 N/A ALA 187.A N LEU 184.A O no hydrogen 3.306 N/A SER 191.A N GLU 90.A OE1 no hydrogen 2.834 N/A SER 191.A OG GLU 90.A OE1 no hydrogen 3.263 N/A SER 191.A OG GLU 90.A OE2 no hydrogen 2.733 N/A ARG 194.A N SER 191.A O no hydrogen 3.321 N/A ARG 194.A N SER 191.A OG no hydrogen 3.151 N/A ARG 194.A NE GLU 90.A O no hydrogen 2.760 N/A ARG 194.A NH2 GLU 90.A O no hydrogen 3.330 N/A ARG 194.A NH2 THR 91.A O no hydrogen 2.787 N/A TYR 195.A N GLU 90.A OE1 no hydrogen 2.970 N/A TYR 195.A OH PRO 107.A O no hydrogen 2.684 N/A GLY 196.A N SER 191.A O no hydrogen 2.956 N/A SER 197.A N ARG 194.A O no hydrogen 2.983 N/A SER 197.A OG ARG 194.A O no hydrogen 2.547 N/A VAL 198.A N TYR 195.A O no hydrogen 3.248 N/A ARG 200.A N ASP 226.A OD1 no hydrogen 3.087 N/A ARG 200.A NE GLY 224.A O no hydrogen 3.101 N/A ARG 200.A NH2 GLY 224.A O no hydrogen 2.813 N/A ALA 201.A N ALA 99.A O no hydrogen 2.870 N/A TYR 202.A N LYS 227.A O no hydrogen 2.905 N/A TYR 202.A OH ALA 104.A O no hydrogen 2.709 N/A ILE 203.A N PHE 101.A O no hydrogen 2.753 N/A PHE 204.A N LYS 229.A O no hydrogen 2.773 N/A ASN 206.A N ILE 231.A O no hydrogen 3.223 N/A ASN 206.A ND2 GLU 230.A OE1 no hydrogen 2.962 N/A GLU 207.A N ALA 234.A O no hydrogen 2.783 N/A ASP 208.A N CYS 205.A O no hydrogen 3.249 N/A SER 210.A N ASP 208.A OD1 no hydrogen 2.754 N/A PHE 211.A N ASP 208.A OD1 no hydrogen 2.760 N/A GLU 214.A N GLU 214.A OE1 no hydrogen 2.820 N/A PHE 215.A N PRO 212.A O no hydrogen 2.923 N/A GLN 216.A N PRO 212.A O no hydrogen 3.072 N/A LYS 217.A N VAL 213.A O no hydrogen 2.771 N/A TRP 218.A N GLU 214.A O no hydrogen 3.115 N/A PHE 219.A N PHE 215.A O no hydrogen 3.077 N/A VAL 220.A N GLN 216.A O no hydrogen 3.062 N/A GLU 221.A N LYS 217.A O no hydrogen 2.713 N/A SER 222.A N TRP 218.A O no hydrogen 2.788 N/A SER 222.A OG TRP 218.A O no hydrogen 3.353 N/A VAL 223.A N PHE 219.A O no hydrogen 2.889 N/A GLY 224.A N VAL 220.A O no hydrogen 2.749 N/A ASP 226.A N ARG 200.A O no hydrogen 2.807 N/A LYS 227.A NZ ASP 251.A O no hydrogen 3.397 N/A LYS 227.A NZ ILE 252.A O no hydrogen 3.486 N/A LYS 229.A N TYR 202.A O no hydrogen 2.781 N/A LYS 229.A NZ ASP 251.A OD2 no hydrogen 3.425 N/A ILE 231.A N PHE 204.A O no hydrogen 2.779 N/A ALA 234.A N ILE 231.A O no hydrogen 3.337 N/A ASP 235.A N SER 241.A OG no hydrogen 3.387 N/A HIS 236.A ND1 ASP 208.A OD1 no hydrogen 3.149 N/A HIS 236.A ND1 ASP 208.A OD2 no hydrogen 2.673 N/A MET 237.A N ASP 235.A OD1 no hydrogen 2.802 N/A LEU 240.A N MET 237.A O no hydrogen 2.821 N/A SER 241.A N MET 237.A O no hydrogen 2.779 N/A SER 241.A OG ASP 235.A OD1 no hydrogen 2.718 N/A SER 241.A OG MET 237.A O no hydrogen 2.965 N/A GLN 242.A N GLY 238.A O no hydrogen 2.782 N/A VAL 246.A N GLN 242.A O no hydrogen 2.949 N/A LYS 247.A NZ GLU 245.A OE2 no hydrogen 2.919 N/A CYS 248.A N GLU 245.A O no hydrogen 2.757 N/A CYS 248.A SG GLU 245.A O no hydrogen 3.059 N/A LEU 249.A N VAL 246.A O no hydrogen 2.887 N/A ASP 251.A N LYS 247.A O no hydrogen 2.869 N/A ILE 252.A N CYS 248.A O no hydrogen 2.827 N/A SER 253.A N LEU 249.A O no hydrogen 2.852 N/A SER 253.A OG LEU 249.A O no hydrogen 3.193 N/A SER 253.A OG LEU 250.A O no hydrogen 3.194 N/A SER 253.A OG ASP 254.A OD1 no hydrogen 2.941 N/A ASP 254.A N LEU 250.A O no hydrogen 2.917 N/A ASP 254.A N ASP 251.A O no hydrogen 3.360 N/A