Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4mda_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A NE2 GLN 8.A OE1 no hydrogen 3.093 N/A ASN 5.A N GLN 8.A OE1 no hydrogen 2.817 N/A GLN 8.A N ASN 5.A OD1 no hydrogen 2.969 N/A MET 9.A N ASN 5.A O no hydrogen 2.931 N/A GLU 10.A N GLU 6.A O no hydrogen 2.966 N/A ARG 11.A N ARG 7.A O no hydrogen 2.995 N/A ARG 12.A N GLN 8.A O no hydrogen 3.015 N/A ARG 12.A NE GLY 196.A O no hydrogen 2.752 N/A ARG 12.A NH1 SER 132.A OG no hydrogen 2.891 N/A ARG 12.A NH1 ASP 134.A OD1 no hydrogen 2.844 N/A ARG 12.A NH1 ASP 134.A OD2 no hydrogen 3.410 N/A ARG 12.A NH2 ASP 134.A OD2 no hydrogen 2.750 N/A ARG 12.A NH2 LYS 197.A O no hydrogen 3.065 N/A LYS 13.A N MET 9.A O no hydrogen 2.851 N/A LYS 13.A NZ ASP 195.A OD1 no hydrogen 2.742 N/A ASN 14.A N GLU 10.A O no hydrogen 2.805 N/A THR 15.A N ARG 11.A O no hydrogen 2.868 N/A THR 15.A OG1 ARG 11.A O no hydrogen 2.714 N/A CYS 16.A N ARG 12.A O no hydrogen 2.967 N/A CYS 16.A SG ARG 12.A O no hydrogen 3.377 N/A GLU 17.A N LYS 13.A O no hydrogen 2.989 N/A ILE 18.A N ASN 14.A O no hydrogen 3.169 N/A LEU 19.A N THR 15.A O no hydrogen 2.950 N/A LEU 20.A N CYS 16.A O no hydrogen 2.917 N/A SER 21.A N GLU 17.A O no hydrogen 2.927 N/A SER 21.A OG GLU 17.A O no hydrogen 3.094 N/A SER 21.A OG ILE 18.A O no hydrogen 3.225 N/A ARG 22.A N ILE 18.A O no hydrogen 2.998 N/A ARG 22.A NH1 GLU 124.A OE1 no hydrogen 2.645 N/A ARG 22.A NH1 GLU 124.A OE2 no hydrogen 3.293 N/A ARG 22.A NH2 GLU 124.A OE2 no hydrogen 2.748 N/A TYR 23.A N LEU 19.A O no hydrogen 2.816 N/A LYS 24.A N LEU 20.A O no hydrogen 3.006 N/A LYS 24.A NZ GLU 189.A OE2 no hydrogen 2.931 N/A ARG 25.A N SER 21.A O no hydrogen 3.252 N/A LYS 26.A N ARG 22.A O no hydrogen 2.933 N/A ARG 31.A N PHE 28.A O no hydrogen 2.980 N/A ARG 31.A NH1.A TYR 92.A OH no hydrogen 3.425 N/A ARG 31.A NH1.B ARG 98.A O no hydrogen 2.810 N/A ILE 32.A N LEU 29.A O no hydrogen 3.183 N/A VAL 33.A N ILE 100.A O no hydrogen 2.836 N/A THR 34.A N TRP 52.A O no hydrogen 2.922 N/A THR 34.A OG1 LEU 102.A O no hydrogen 2.717 N/A GLY 35.A N LEU 102.A O no hydrogen 3.272 N/A ASP 36.A N VAL 50.A O no hydrogen 3.109 N/A GLU 37.A N GLU 37.A OE2 no hydrogen 2.840 N/A LYS 38.A N LEU 48.A O no hydrogen 2.839 N/A ILE 40.A N THR 46.A O no hydrogen 2.909 N/A PHE 42.A N LYS 44.A O no hydrogen 2.940 N/A VAL 43.A N PHE 155.A O no hydrogen 2.878 N/A THR 46.A N ILE 40.A O no hydrogen 2.943 N/A THR 46.A OG1 LEU 63.A O no hydrogen 2.524 N/A LEU 48.A N LYS 38.A O no hydrogen 2.900 N/A CYS 49.A N GLU 61.A O no hydrogen 2.897 N/A CYS 49.A SG MET 47.A O.B no hydrogen 3.783 N/A VAL 50.A N ASP 36.A O no hydrogen 3.157 N/A TRP 51.A N TYR 59.A O no hydrogen 2.972 N/A TRP 52.A N THR 34.A O no hydrogen 2.797 N/A TRP 52.A NE1 SER 138.A OG no hydrogen 3.043 N/A ASP 53.A N GLY 56.A O no hydrogen 3.005 N/A SER 55.A N ASP 53.A OD1 no hydrogen 2.924 N/A GLY 56.A N ASP 53.A O no hydrogen 3.140 N/A ILE 58.A N TRP 51.A O no hydrogen 2.912 N/A TYR 59.A N TRP 51.A O no hydrogen 3.425 N/A TYR 59.A OH GLU 61.A OE2 no hydrogen 2.628 N/A TYR 60.A OH ASP 166.A OD1 no hydrogen 2.467 N/A GLU 61.A N CYS 49.A O no hydrogen 2.892 N/A LEU 63.A N MET 47.A O.A no hydrogen 2.796 N/A LEU 63.A N MET 47.A O.B no hydrogen 3.057 N/A LYS 64.A N GLU 67.A OE2 no hydrogen 3.070 N/A GLY 66.A N LYS 45.A O no hydrogen 2.958 N/A GLU 67.A N LYS 64.A O no hydrogen 2.868 N/A ARG 73.A N ASN 70.A OD1 no hydrogen 2.899 N/A TYR 74.A N ASN 70.A O no hydrogen 2.978 N/A TYR 74.A OH HIS 103.A ND1 no hydrogen 2.650 N/A GLN 75.A N ALA 71.A O no hydrogen 3.024 N/A GLN 75.A NE2 THR 117.A OG1 no hydrogen 2.878 N/A GLN 76.A N ALA 72.A O no hydrogen 3.309 N/A GLN 76.A NE2 GLN 76.A O no hydrogen 3.260 N/A GLN 76.A NE2 ASN 80.A OD1 no hydrogen 3.022 N/A GLN 77.A N ARG 73.A O no hydrogen 2.924 N/A GLN 77.A NE2 GLU 61.A OE1 no hydrogen 2.952 N/A LEU 78.A N TYR 74.A O no hydrogen 2.951 N/A ILE 79.A N GLN 75.A O no hydrogen 3.133 N/A ASN 80.A N GLN 76.A O no hydrogen 2.866 N/A ASN 80.A ND2 GLU 61.A OE2 no hydrogen 3.465 N/A LEU 81.A N GLN 77.A O no hydrogen 2.783 N/A ASN 82.A N LEU 78.A O no hydrogen 2.975 N/A ARG 83.A N ILE 79.A O no hydrogen 3.215 N/A ALA 84.A N ASN 80.A O no hydrogen 3.067 N/A LEU 85.A N LEU 81.A O no hydrogen 2.905 N/A GLN 86.A N ASN 82.A O no hydrogen 3.084 N/A ARG 87.A N ARG 83.A O no hydrogen 3.231 N/A LYS 88.A N ALA 84.A O no hydrogen 2.892 N/A LYS 88.A NZ.B VAL 57.A O no hydrogen 2.997 N/A LYS 88.A NZ.B ILE 58.A O no hydrogen 3.345 N/A ARG 89.A N LEU 85.A O no hydrogen 2.896 N/A ARG 89.A NE ASP 53.A OD1 no hydrogen 3.197 N/A ARG 89.A NE ASP 53.A OD2 no hydrogen 2.860 N/A ARG 89.A NH1 LYS 88.A O no hydrogen 2.962 N/A ARG 89.A NH2 ASP 53.A OD1 no hydrogen 2.930 N/A GLU 91.A N GLU 91.A OE1 no hydrogen 2.693 N/A TYR 92.A N ARG 89.A O no hydrogen 2.975 N/A LYS 94.A N PRO 90.A O no hydrogen 3.188 N/A ARG 95.A N TYR 92.A O no hydrogen 3.190 N/A ARG 98.A NE ASN 122.A O no hydrogen 2.861 N/A ILE 100.A N ARG 31.A O no hydrogen 2.924 N/A PHE 101.A N GLU 124.A O no hydrogen 2.687 N/A LEU 102.A N VAL 33.A O no hydrogen 2.908 N/A HIS 103.A ND1 TYR 74.A OH no hydrogen 2.650 N/A ASN 105.A ND2.A HIS 128.A O no hydrogen 3.117 N/A ALA 106.A N ASP 104.A OD1 no hydrogen 3.346 N/A HIS 109.A N ALA 106.A O no hydrogen 2.811 N/A HIS 109.A ND1 ASP 104.A O no hydrogen 2.779 N/A HIS 109.A NE2 GLU 37.A OE1 no hydrogen 2.773 N/A THR 110.A N PRO 107.A O no hydrogen 3.004 N/A THR 110.A OG1 PRO 107.A O no hydrogen 3.333 N/A VAL 114.A N ALA 111.A O no hydrogen 2.990 N/A ARG 115.A N ALA 111.A O no hydrogen 2.902 N/A ARG 115.A NE THR 110.A O no hydrogen 2.695 N/A ASP 116.A N ARG 112.A O no hydrogen 3.052 N/A THR 117.A N ALA 113.A O no hydrogen 3.003 N/A THR 117.A OG1 ALA 113.A O no hydrogen 3.169 N/A LEU 118.A N VAL 114.A O no hydrogen 2.879 N/A GLU 119.A N ARG 115.A O no hydrogen 2.952 N/A THR 120.A N ASP 116.A O no hydrogen 2.931 N/A THR 120.A OG1 ASP 116.A O no hydrogen 3.130 N/A LEU 121.A N THR 117.A O no hydrogen 2.857 N/A ASN 122.A N LEU 118.A O no hydrogen 2.827 N/A ASN 122.A ND2 GLU 119.A O no hydrogen 3.275 N/A GLU 124.A N VAL 99.A O no hydrogen 2.911 N/A LEU 126.A N PHE 101.A O no hydrogen 3.021 N/A SER 132.A OG ALA 129.A O no hydrogen 3.178 N/A SER 132.A OG ALA 130.A O no hydrogen 2.904 N/A LEU 135.A N SER 132.A O no hydrogen 3.005 N/A ALA 136.A N PRO 133.A O no hydrogen 3.302 N/A ASP 139.A N ALA 136.A O no hydrogen 2.834 N/A TYR 140.A N ALA 136.A O no hydrogen 2.984 N/A TYR 140.A OH GLY 180.A O no hydrogen 2.724 N/A HIS 141.A N PRO 137.A O no hydrogen 2.991 N/A HIS 141.A NE2 PHE 176.A O no hydrogen 2.781 N/A LEU 142.A N PRO 137.A O no hydrogen 3.113 N/A PHE 143.A N SER 138.A O no hydrogen 2.694 N/A ALA 144.A N ASP 139.A O no hydrogen 3.286 N/A SER 145.A N HIS 141.A O no hydrogen 3.185 N/A MET 146.A N LEU 142.A O no hydrogen 3.025 N/A GLY 147.A N PHE 143.A O no hydrogen 2.822 N/A ALA 149.A N SER 145.A O no hydrogen 3.423 N/A LEU 150.A N MET 146.A O no hydrogen 2.834 N/A GLN 153.A N LEU 150.A O no hydrogen 2.949 N/A ARG 154.A NH1 ALA 151.A O no hydrogen 3.034 N/A ARG 154.A NH1 GLN 153.A O no hydrogen 2.994 N/A SER 157.A OG GLU 159.A OE2 no hydrogen 3.512 N/A SER 157.A OG SER 160.A OG no hydrogen 2.719 N/A TYR 158.A OH LEU 62.A O no hydrogen 2.678 N/A SER 160.A N SER 157.A O no hydrogen 3.140 N/A SER 160.A N SER 157.A OG no hydrogen 3.038 N/A SER 160.A OG SER 157.A OG no hydrogen 2.719 N/A VAL 161.A N SER 157.A O no hydrogen 3.312 N/A LYS 162.A N TYR 158.A O no hydrogen 3.067 N/A LYS 162.A NZ TYR 158.A OH no hydrogen 3.523 N/A LYS 163.A N GLU 159.A O no hydrogen 3.037 N/A LYS 163.A NZ GLU 167.A OE2 no hydrogen 2.631 N/A TRP 164.A N SER 160.A O no hydrogen 3.009 N/A LEU 165.A N VAL 161.A O no hydrogen 2.912 N/A ASP 166.A N LYS 162.A O no hydrogen 2.884 N/A GLU 167.A N LYS 163.A O no hydrogen 3.039 N/A TRP 168.A N TRP 164.A O no hydrogen 2.799 N/A PHE 169.A N LEU 165.A O no hydrogen 2.893 N/A ALA 170.A N ASP 166.A O no hydrogen 3.202 N/A ALA 171.A N GLU 167.A O no hydrogen 2.991 N/A LYS 172.A NZ SER 145.A OG no hydrogen 3.056 N/A PHE 176.A N ASP 173.A O no hydrogen 3.058 N/A TYR 177.A OH PHE 169.A O no hydrogen 2.707 N/A TRP 178.A N ASP 174.A O no hydrogen 3.072 N/A ARG 179.A N GLU 175.A O no hydrogen 2.863 N/A GLY 180.A N PHE 176.A O no hydrogen 3.147 N/A ILE 181.A N TYR 177.A O no hydrogen 3.234 N/A HIS 182.A N TRP 178.A O no hydrogen 2.898 N/A HIS 182.A NE2 GLN 54.A OE1 no hydrogen 2.845 N/A LYS 183.A N ARG 179.A O no hydrogen 2.974 N/A LYS 183.A NZ HIS 141.A ND1 no hydrogen 2.971 N/A LEU 184.A N ILE 181.A O no hydrogen 3.087 N/A ARG 187.A N LYS 183.A O no hydrogen 3.310 N/A ARG 187.A NH1 ASP 134.A O no hydrogen 2.841 N/A TRP 188.A N LEU 184.A O no hydrogen 2.815 N/A GLU 189.A N PRO 185.A O no hydrogen 2.898 N/A LYS 190.A N GLU 186.A O no hydrogen 2.989 N/A LYS 190.A NZ GLU 200.A OXT no hydrogen 3.078 N/A CYS 191.A N ARG 187.A O no hydrogen 2.939 N/A VAL 192.A N TRP 188.A O no hydrogen 2.989 N/A ALA 193.A N GLU 189.A O no hydrogen 2.832 N/A SER 194.A N.A LYS 190.A O no hydrogen 2.910 N/A SER 194.A N.B LYS 190.A O no hydrogen 2.920 N/A SER 194.A N.B CYS 191.A O no hydrogen 3.286 N/A SER 194.A OG.A LYS 190.A O no hydrogen 3.100 N/A SER 194.A OG.B LYS 190.A O no hydrogen 3.346 N/A SER 194.A OG.B CYS 191.A O no hydrogen 2.783 N/A SER 194.A OG.B LYS 197.A O no hydrogen 2.807 N/A ASP 195.A N VAL 192.A O no hydrogen 3.045 N/A GLY 196.A N CYS 191.A O no hydrogen 2.865 N/A LYS 197.A N SER 194.A O.A no hydrogen 3.134 N/A LYS 197.A N SER 194.A O.B no hydrogen 3.123 N/A LYS 197.A NZ SER 194.A O.A no hydrogen 2.961 N/A LYS 197.A NZ SER 194.A O.B no hydrogen 2.976 N/A TYR 198.A OH TYR 131.A O no hydrogen 2.879 N/A