Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6jxf_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 3.A N PHE 81.A O no hydrogen 2.876 N/A ARG 4.A NH1 TYR 69.A O no hydrogen 3.114 N/A ARG 4.A NH1 PRO 70.A O no hydrogen 3.560 N/A ARG 4.A NH2 PRO 70.A O no hydrogen 2.940 N/A ALA 5.A N SER 2.A O no hydrogen 3.157 N/A LEU 6.A N GLY 3.A O no hydrogen 2.941 N/A PHE 7.A N ARG 4.A O no hydrogen 3.010 N/A GLN 8.A NE2 ARG 4.A O no hydrogen 3.421 N/A MET 11.A N THR 34.A O no hydrogen 3.014 N/A THR 12.A N GLY 110.A O no hydrogen 3.048 N/A SER 13.A N GLY 32.A O no hydrogen 2.928 N/A LYS 14.A N VAL 112.A O no hydrogen 2.974 N/A ILE 15.A N GLY 30.A O no hydrogen 2.983 N/A GLU 16.A N SER 114.A O no hydrogen 2.881 N/A LEU 17.A N VAL 28.A O no hydrogen 2.836 N/A ASN 18.A N THR 116.A O no hydrogen 2.925 N/A GLY 19.A N PHE 26.A O no hydrogen 2.889 N/A GLU 20.A N LEU 118.A O no hydrogen 3.009 N/A ILE 21.A N LYS 24.A O no hydrogen 2.925 N/A ASN 22.A N ALA 120.A O no hydrogen 2.885 N/A ASN 22.A ND2 PHE 123.A O no hydrogen 2.864 N/A LYS 24.A N ILE 21.A O no hydrogen 2.819 N/A PHE 26.A N GLY 19.A O no hydrogen 2.856 N/A LYS 27.A N THR 48.A OG1 no hydrogen 3.210 N/A LYS 27.A NZ ASN 18.A OD1 no hydrogen 3.494 N/A VAL 28.A N LEU 17.A O no hydrogen 2.878 N/A ALA 29.A N TYR 45.A O no hydrogen 2.951 N/A GLY 30.A N ILE 15.A O no hydrogen 3.087 N/A GLU 31.A N HIS 43.A O no hydrogen 3.184 N/A GLY 32.A N SER 13.A O no hydrogen 2.824 N/A PHE 33.A N ASN 41.A O no hydrogen 3.242 N/A PHE 33.A N ASN 41.A OD1 no hydrogen 3.067 N/A THR 34.A N MET 11.A O no hydrogen 2.862 N/A SER 37.A OG HIS 68.A ND1 no hydrogen 2.722 N/A GLY 38.A N PHE 66.A O no hydrogen 2.887 N/A ARG 39.A N SER 36.A O no hydrogen 3.181 N/A PHE 40.A N GLU 213.A O no hydrogen 3.053 N/A ASN 41.A N PHE 33.A O no hydrogen 2.734 N/A MET 42.A N GLN 211.A O no hydrogen 2.910 N/A HIS 43.A N GLU 31.A O no hydrogen 2.975 N/A HIS 43.A NE2 ASP 204.A OD2 no hydrogen 2.713 N/A ALA 44.A N ILE 209.A O no hydrogen 2.978 N/A TYR 45.A N ALA 29.A O no hydrogen 2.856 N/A TYR 45.A OH GLU 31.A OE1 no hydrogen 2.522 N/A CYS 46.A N ASP 207.A O no hydrogen 2.980 N/A CYS 46.A SG LYS 27.A O no hydrogen 3.438 N/A CYS 46.A SG THR 48.A OG1 no hydrogen 3.257 N/A CYS 46.A SG GLY 49.A O no hydrogen 3.178 N/A THR 47.A N LYS 27.A O no hydrogen 2.929 N/A THR 47.A OG1 LYS 27.A O no hydrogen 3.501 N/A LEU 51.A N ASP 207.A OD2 no hydrogen 2.719 N/A SER 54.A N THR 129.A O no hydrogen 2.795 N/A TRP 55.A NE1 ASP 207.A OD1 no hydrogen 3.086 N/A VAL 56.A N SER 54.A OG no hydrogen 2.977 N/A ILE 58.A N SER 54.A O no hydrogen 3.197 N/A ALA 59.A N VAL 56.A O no hydrogen 3.273 N/A SER 60.A OG GLN 172.A OE1 no hydrogen 2.685 N/A LEU 62.A N ILE 58.A O no hydrogen 3.004 N/A PHE 66.A N PHE 63.A O no hydrogen 2.937 N/A ALA 67.A N HIS 64.A O no hydrogen 2.945 N/A HIS 68.A N ALA 215.A O no hydrogen 2.878 N/A HIS 68.A ND1 SER 37.A OG no hydrogen 2.722 N/A TYR 69.A OH HIS 190.A NE2 no hydrogen 2.683 N/A ILE 73.A N PRO 70.A O no hydrogen 3.386 N/A HIS 75.A NE2 ALA 67.A O no hydrogen 2.912 N/A GLN 78.A N HIS 75.A ND1 no hydrogen 3.433 N/A GLN 78.A NE2 MET 65.A O no hydrogen 2.872 N/A GLU 79.A N HIS 75.A O no hydrogen 2.875 N/A CYS 80.A N PHE 76.A O no hydrogen 3.005 N/A CYS 80.A SG PHE 76.A O no hydrogen 3.308 N/A PHE 81.A N GLN 78.A O no hydrogen 2.987 N/A SER 84.A N CYS 80.A O no hydrogen 2.757 N/A SER 84.A OG TYR 105.A O no hydrogen 2.746 N/A THR 86.A N THR 177.A O no hydrogen 2.942 N/A THR 86.A OG1 THR 177.A O no hydrogen 3.564 N/A LEU 87.A N HIS 103.A O no hydrogen 3.058 N/A ASP 88.A N ILE 175.A O no hydrogen 2.936 N/A ARG 89.A N THR 101.A O no hydrogen 2.902 N/A ARG 89.A NE THR 101.A OG1 no hydrogen 2.900 N/A ARG 89.A NH1 HIS 103.A NE2 no hydrogen 3.198 N/A ARG 89.A NH2 GLN 172.A OE1 no hydrogen 2.945 N/A THR 90.A N ASP 173.A O no hydrogen 2.824 N/A LEU 91.A N LEU 99.A O no hydrogen 2.849 N/A ARG 92.A N THR 171.A O no hydrogen 2.846 N/A ARG 92.A NE GLU 94.A OE1.A no hydrogen 2.846 N/A ARG 92.A NE GLU 94.A OE1.B no hydrogen 2.839 N/A ARG 92.A NH2 GLU 94.A OE2.B no hydrogen 3.069 N/A MET 93.A N GLY 97.A O no hydrogen 2.866 N/A GLU 94.A N.A ILE 169.A O no hydrogen 2.881 N/A GLU 94.A N.B ILE 169.A O no hydrogen 2.877 N/A ASP 96.A N.A MET 93.A O no hydrogen 2.787 N/A ASP 96.A N.B MET 93.A O no hydrogen 2.818 N/A GLY 97.A N MET 93.A O no hydrogen 3.277 N/A LEU 99.A N LEU 91.A O no hydrogen 2.903 N/A THR 100.A N ASN 119.A O no hydrogen 2.895 N/A THR 101.A N ARG 89.A O no hydrogen 3.007 N/A THR 101.A OG1 HIS 103.A NE2 no hydrogen 2.753 N/A HIS 102.A N THR 117.A O no hydrogen 2.999 N/A HIS 102.A ND1 ASP 88.A OD1 no hydrogen 2.663 N/A HIS 102.A NE2 GLU 104.A OE2 no hydrogen 2.751 N/A HIS 103.A N LEU 87.A O no hydrogen 2.891 N/A HIS 103.A NE2 THR 101.A OG1 no hydrogen 2.753 N/A GLU 104.A N LYS 115.A O no hydrogen 2.887 N/A SER 106.A N THR 113.A O no hydrogen 2.970 N/A GLU 108.A N CYS 111.A O no hydrogen 2.991 N/A CYS 111.A N GLU 108.A O no hydrogen 3.031 N/A CYS 111.A SG THR 12.A OG1 no hydrogen 3.395 N/A VAL 112.A N THR 12.A O no hydrogen 2.899 N/A THR 113.A N SER 106.A O no hydrogen 2.841 N/A SER 114.A N LYS 14.A O no hydrogen 2.776 N/A LYS 115.A N GLU 104.A O no hydrogen 2.861 N/A THR 116.A N GLU 16.A O no hydrogen 2.857 N/A THR 116.A OG1 HIS 103.A ND1 no hydrogen 3.080 N/A THR 116.A OG1 SER 114.A OG no hydrogen 2.767 N/A THR 117.A N HIS 102.A O no hydrogen 2.870 N/A LEU 118.A N ASN 18.A O no hydrogen 2.887 N/A ASN 119.A N THR 100.A O no hydrogen 2.818 N/A ALA 120.A N GLU 20.A O no hydrogen 2.959 N/A PHE 123.A N ASN 22.A OD1 no hydrogen 2.969 N/A ASP 124.A N ASP 96.A O.A no hydrogen 3.185 N/A ASP 124.A N ASP 96.A OD1.B no hydrogen 2.471 N/A LYS 126.A N ASP 124.A OD1 no hydrogen 2.885 N/A GLY 127.A N ASP 124.A O no hydrogen 2.890 N/A THR 129.A N ASP 96.A OD2.A no hydrogen 3.220 N/A THR 129.A OG1 ASP 96.A OD2.A no hydrogen 2.731 N/A THR 131.A N GLY 127.A O no hydrogen 3.015 N/A THR 131.A OG1 GLY 127.A O no hydrogen 2.932 N/A THR 131.A OG1 SER 133.A OG no hydrogen 2.655 N/A LYS 132.A NZ LEU 51.A O no hydrogen 2.798 N/A SER 133.A N ALA 128.A O no hydrogen 3.070 N/A SER 133.A OG THR 131.A OG1 no hydrogen 2.655 N/A VAL 135.A N LEU 161.A O no hydrogen 2.848 N/A GLN 137.A NE2 VAL 56.A O no hydrogen 3.039 N/A LEU 138.A N LEU 159.A O no hydrogen 2.894 N/A ASN 140.A N THR 194.A O no hydrogen 2.952 N/A VAL 142.A N LEU 192.A O no hydrogen 2.783 N/A LYS 143.A N THR 155.A O no hydrogen 2.788 N/A LYS 143.A NZ TYR 228.A OH no hydrogen 2.850 N/A ILE 144.A N HIS 190.A O no hydrogen 2.830 N/A THR 145.A N ARG 153.A O no hydrogen 2.975 N/A HIS 147.A N GLY 151.A O no hydrogen 2.897 N/A ASN 150.A ND2 ARG 182.A O no hydrogen 3.117 N/A GLY 151.A N HIS 147.A O no hydrogen 2.919 N/A ILE 152.A N VAL 176.A O no hydrogen 3.187 N/A ARG 153.A N THR 145.A O no hydrogen 2.855 N/A LEU 154.A N CYS 174.A O no hydrogen 2.869 N/A THR 155.A N LYS 143.A O no hydrogen 2.902 N/A SER 156.A N GLN 172.A O no hydrogen 2.966 N/A VAL 158.A N GLY 170.A O no hydrogen 2.865 N/A TYR 160.A N GLN 168.A O no hydrogen 2.818 N/A LEU 161.A N LYS 136.A O no hydrogen 2.794 N/A LYS 162.A N THR 166.A O no hydrogen 2.874 N/A LYS 162.A NZ GLN 168.A OE1 no hydrogen 3.308 N/A GLU 163.A N SER 133.A O no hydrogen 2.969 N/A GLY 165.A N LYS 162.A O no hydrogen 2.941 N/A THR 166.A N ASP 164.A OD1 no hydrogen 3.055 N/A THR 166.A OG1 ASP 164.A OD1 no hydrogen 2.514 N/A GLN 168.A N TYR 160.A O no hydrogen 2.875 N/A GLY 170.A N VAL 158.A O no hydrogen 2.898 N/A THR 171.A N ARG 92.A O no hydrogen 2.856 N/A THR 171.A OG1 GLU 94.A OE2.A no hydrogen 2.800 N/A GLN 172.A N SER 156.A O no hydrogen 2.827 N/A GLN 172.A NE2 SER 156.A OG no hydrogen 3.148 N/A ASP 173.A N THR 90.A O no hydrogen 2.992 N/A CYS 174.A N LEU 154.A O no hydrogen 2.883 N/A ILE 175.A N ASP 88.A O no hydrogen 2.864 N/A VAL 176.A N ILE 152.A O no hydrogen 2.995 N/A THR 177.A N THR 86.A O no hydrogen 2.976 N/A VAL 179.A N SER 84.A O no hydrogen 2.919 N/A ARG 182.A NE PRO 82.A O no hydrogen 3.279 N/A ARG 182.A NH2 GLU 79.A O no hydrogen 2.877 N/A ARG 182.A NH2 PRO 82.A O no hydrogen 2.865 N/A LYS 183.A NZ THR 185.A OG1 no hydrogen 3.308 N/A VAL 184.A N ASN 150.A OD1 no hydrogen 2.926 N/A GLN 186.A NE2 GLY 148.A O no hydrogen 2.886 N/A GLN 186.A NE2 GLY 151.A O no hydrogen 2.878 N/A LYS 188.A NZ ASP 72.A O no hydrogen 2.840 N/A ALA 189.A N ASP 225.A OD1 no hydrogen 2.896 N/A HIS 190.A N ILE 144.A O no hydrogen 2.957 N/A HIS 190.A ND1 LYS 188.A O no hydrogen 2.754 N/A HIS 190.A NE2 TYR 69.A OH no hydrogen 2.683 N/A PHE 191.A N GLY 218.A O no hydrogen 3.031 N/A LEU 192.A N VAL 142.A O no hydrogen 2.812 N/A HIS 193.A N VAL 216.A O no hydrogen 2.868 N/A THR 194.A N ASN 140.A O no hydrogen 2.922 N/A THR 194.A OG1 LEU 192.A O no hydrogen 3.365 N/A GLN 195.A N LEU 214.A O no hydrogen 2.959 N/A ILE 197.A N THR 212.A O no hydrogen 2.868 N/A GLN 198.A NE2 TRP 55.A O no hydrogen 2.888 N/A GLN 198.A NE2 GLN 211.A OE1 no hydrogen 2.810 N/A LYS 199.A N VAL 210.A O no hydrogen 2.885 N/A LYS 200.A NZ HIS 208.A O no hydrogen 2.755 N/A ASP 201.A N HIS 208.A NE2 no hydrogen 2.837 N/A ASN 203.A N ASP 201.A OD2 no hydrogen 2.946 N/A ASP 204.A N ASP 201.A OD2 no hydrogen 3.034 N/A ARG 206.A N ASP 204.A OD1 no hydrogen 2.816 N/A ARG 206.A NE ASP 204.A OD1 no hydrogen 2.891 N/A ARG 206.A NH2 ASP 204.A OD1 no hydrogen 3.554 N/A ARG 206.A NH2 ASP 204.A OD2 no hydrogen 2.828 N/A HIS 208.A ND1 ARG 206.A O no hydrogen 2.898 N/A ILE 209.A N ALA 44.A O no hydrogen 2.881 N/A VAL 210.A N LYS 199.A O no hydrogen 2.863 N/A GLN 211.A N MET 42.A O no hydrogen 2.810 N/A GLN 211.A NE2 ALA 59.A O no hydrogen 3.054 N/A THR 212.A N ILE 197.A O no hydrogen 2.912 N/A GLU 213.A N PHE 40.A O no hydrogen 2.836 N/A LEU 214.A N GLN 195.A O no hydrogen 2.948 N/A ALA 215.A N GLY 38.A O no hydrogen 2.925 N/A VAL 216.A N HIS 193.A O no hydrogen 2.947 N/A ALA 217.A N HIS 68.A O no hydrogen 2.883 N/A GLY 218.A N PHE 191.A O no hydrogen 2.877 N/A MET 224.A N TRP 221.A O no hydrogen 3.018 N/A GLU 226.A N GLY 223.A O no hydrogen 3.403 N/A LEU 227.A N MET 224.A O no hydrogen 3.050 N/A TYR 228.A N ASP 225.A O no hydrogen 3.048 N/A LYS 229.A NZ GLU 226.A O no hydrogen 3.253 N/A LYS 229.A NZ GLU 226.A OE2 no hydrogen 3.479 N/A