Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3p8g_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 1.A N HIS 138.A O no hydrogen 2.946 N/A VAL 1.A N ASP 190.A OD1 no hydrogen 3.558 N/A VAL 1.A N ASP 190.A OD2 no hydrogen 2.667 N/A VAL 2.A N ASP 185.A O no hydrogen 2.821 N/A THR 5.A N LYS 151.A O no hydrogen 2.994 N/A ALA 7.A N LEU 149.A O no hydrogen 2.877 N/A ASP 8.A N GLU 11.A OE1 no hydrogen 2.970 N/A GLU 11.A N ASP 8.A O no hydrogen 3.030 N/A TRP 14.A NE1 SER 196.A OG no hydrogen 3.024 N/A GLN 15.A N TRP 12.A O no hydrogen 2.928 N/A GLN 15.A NE2 VAL 16.A O no hydrogen 3.109 N/A VAL 16.A N ALA 29.A O no hydrogen 2.904 N/A SER 17.A N PHE 61.A O no hydrogen 3.095 N/A SER 17.A OG HIS 25.A ND1 no hydrogen 2.760 N/A LEU 18.A N CYS 27.A O.A no hydrogen 2.869 N/A LEU 18.A N CYS 27.A O.B no hydrogen 2.812 N/A HIS 19.A N THR 59.A O no hydrogen 2.844 N/A HIS 19.A NE2 GLN 67.A OE1 no hydrogen 2.820 N/A ALA 20.A N GLY 24.A O no hydrogen 3.290 N/A LEU 21.A N GLN 57.A O no hydrogen 2.839 N/A GLN 23.A N ALA 20.A O no hydrogen 2.816 N/A HIS 25.A ND1 SER 17.A OG no hydrogen 2.760 N/A HIS 25.A NE2 GLY 189.A O no hydrogen 2.841 N/A ILE 26.A N LEU 18.A O no hydrogen 2.895 N/A CYS 27.A N.A LEU 18.A O no hydrogen 3.382 N/A CYS 27.A N.B LEU 18.A O no hydrogen 3.377 N/A CYS 27.A SG.A ILE 26.A O no hydrogen 3.292 N/A CYS 27.A SG.B GLY 28.A O no hydrogen 3.455 N/A CYS 27.A SG.B SER 39.A OG no hydrogen 3.436 N/A CYS 27.A SG.B TYR 44.A OH no hydrogen 3.597 N/A GLY 28.A N SER 191.A O no hydrogen 2.778 N/A ALA 29.A N VAL 16.A O no hydrogen 3.146 N/A SER 30.A N VAL 38.A O no hydrogen 2.832 N/A SER 30.A OG VAL 38.A O no hydrogen 3.552 N/A SER 30.A OG GLN 206.A OE1 no hydrogen 2.716 N/A LEU 31.A N TRP 14.A O no hydrogen 2.941 N/A ILE 32.A N TRP 36.A O no hydrogen 3.061 N/A ASN 35.A N SER 33.A OG no hydrogen 3.315 N/A LEU 37.A N LEU 101.A O no hydrogen 2.860 N/A VAL 38.A N SER 30.A O no hydrogen 2.920 N/A SER 39.A N ALA 99.A O no hydrogen 2.873 N/A SER 39.A OG GLY 28.A O no hydrogen 2.771 N/A SER 39.A OG TYR 44.A OH no hydrogen 2.864 N/A HIS 42.A N ASP 97.A OD1 no hydrogen 2.870 N/A HIS 42.A ND1 ASP 97.A OD2 no hydrogen 2.698 N/A CYS 43.A N ALA 40.A O no hydrogen 3.197 N/A CYS 43.A SG HIS 42.A NE2 no hydrogen 3.997 N/A TYR 44.A N ALA 41.A O no hydrogen 3.083 N/A TYR 44.A OH SER 39.A OG no hydrogen 2.864 N/A THR 56.A N ASP 54I.A OD1 no hydrogen 2.963 N/A THR 56.A OG1 ASP 54I.A OD1 no hydrogen 2.783 N/A THR 56.A OG1 ASP 54I.A OD2 no hydrogen 3.048 N/A GLN 57.A N ASP 54I.A O no hydrogen 2.958 N/A GLN 57.A NE2 THR 56.A OG1 no hydrogen 3.363 N/A TRP 58.A N PRO 55.A O no hydrogen 3.381 N/A TRP 58.A NE1 TYR 52G.A O no hydrogen 2.841 N/A THR 59.A N HIS 19.A O no hydrogen 2.881 N/A ALA 60.A N ARG 78.A O no hydrogen 2.790 N/A PHE 61.A N SER 17.A O no hydrogen 2.839 N/A LEU 62.A N GLN 76.A O no hydrogen 2.835 N/A GLN 67.A N LEU 147.A O no hydrogen 2.816 N/A GLN 67.A NE2 SER 17.A OG no hydrogen 3.050 N/A SER 68.A N ASP 66.A OD2 no hydrogen 2.790 N/A SER 68.A OG ASP 66.A OD2 no hydrogen 2.662 N/A GLN 69.A N ASP 66.A O no hydrogen 2.868 N/A VAL 75.A N ALA 72A.A O no hydrogen 3.076 N/A GLN 76.A N LEU 62.A O no hydrogen 2.829 N/A GLN 76.A NE2 GLU 108.A O no hydrogen 2.763 N/A ARG 78.A N ALA 60.A O no hydrogen 2.848 N/A ARG 78.A NE LYS 105.A O no hydrogen 3.231 N/A ARG 78.A NE PRO 106.A O no hydrogen 3.001 N/A ARG 78.A NH1 GLU 77.A O no hydrogen 2.989 N/A ARG 78.A NH2 PRO 106.A O no hydrogen 2.916 N/A LYS 81.A N GLU 102.A O no hydrogen 2.820 N/A ARG 82.A NE GLU 102.A OE2 no hydrogen 2.880 N/A ARG 82.A NH2 GLU 102.A OE2 no hydrogen 3.012 N/A ILE 84.A N LEU 100.A O no hydrogen 2.772 N/A HIS 86.A N ILE 98.A O no hydrogen 3.019 N/A PHE 88.A N HIS 86.A ND1 no hydrogen 2.934 N/A PHE 89.A N HIS 86.A O no hydrogen 3.004 N/A ASN 90.A N ASP 95.A O no hydrogen 3.383 N/A PHE 92.A N ASN 90.A OD1 no hydrogen 2.870 N/A THR 93.A N ASN 90.A OD1 no hydrogen 2.961 N/A PHE 94.A N ASN 90.A O no hydrogen 2.819 N/A ASP 95.A N THR 93.A OG1 no hydrogen 3.130 N/A TYR 96.A N ASP 95.A OD2 no hydrogen 3.024 N/A ILE 98.A N TYR 96.A O no hydrogen 2.936 N/A ALA 99.A N SER 39.A O no hydrogen 2.897 N/A LEU 100.A N ILE 84.A O no hydrogen 2.819 N/A LEU 101.A N LEU 37.A O no hydrogen 2.871 N/A GLU 102.A N ARG 82.A O no hydrogen 2.918 N/A LEU 103.A N ASN 35.A O no hydrogen 2.823 N/A GLU 104.A N ARG 79.A O no hydrogen 2.823 N/A ALA 107.A N PRO 34.A O no hydrogen 2.826 N/A GLU 108.A N GLN 76.A OE1 no hydrogen 2.860 N/A SER 110.A N VAL 113.A O no hydrogen 2.910 N/A MET 112.A N SER 110.A OG no hydrogen 2.978 N/A VAL 113.A N SER 110.A O no hydrogen 3.216 N/A ARG 114.A N PRO 13.A O no hydrogen 3.109 N/A ILE 116.A N LEU 31.A O no hydrogen 2.998 N/A CYS 117.A N ILE 204.A O no hydrogen 3.174 N/A CYS 117.A SG ILE 204.A O no hydrogen 3.572 N/A HIS 123.A N ASP 120.A O no hydrogen 3.000 N/A GLY 128.A N VAL 156.A O no hydrogen 2.828 N/A LYS 129.A N PRO 126.A O no hydrogen 3.098 N/A LYS 129.A NZ SER 197.A OG no hydrogen 2.858 N/A LYS 129.A NZ VAL 198.A O no hydrogen 2.798 N/A ILE 131.A N ILE 154.A O no hydrogen 2.814 N/A TRP 132.A N SER 196.A O no hydrogen 2.880 N/A VAL 133.A N GLY 152.A O no hydrogen 2.912 N/A THR 134.A OG1 GLN 15.A OE1 no hydrogen 2.720 N/A GLY 135.A N GLN 150.A O no hydrogen 3.023 N/A TRP 136.A NE1 HIS 65.A O no hydrogen 3.051 N/A GLY 137.A N ASP 190.A OD1 no hydrogen 2.792 N/A HIS 138.A N GLN 188.A O no hydrogen 2.792 N/A THR 139.A N THR 144.A O no hydrogen 3.128 N/A GLN 140.A NE2 THR 139.A O no hydrogen 3.193 N/A GLY 143.A N GLN 140.A O no hydrogen 2.774 N/A ALA 146.A N TRP 136.A O no hydrogen 3.296 N/A ALA 146.A N GLY 137.A O no hydrogen 3.312 N/A LEU 149.A N HIS 65.A O no hydrogen 2.995 N/A GLN 150.A N GLY 135.A O no hydrogen 3.021 N/A GLN 150.A NE2 ASP 6.A OD1 no hydrogen 2.893 N/A GLN 150.A NE2 ILE 148.A O.A no hydrogen 3.050 N/A GLN 150.A NE2 ILE 148.A O.B no hydrogen 2.829 N/A LYS 151.A N THR 5.A O no hydrogen 2.893 N/A LYS 151.A NZ GLU 11.A OE1 no hydrogen 2.988 N/A LYS 151.A NZ GLU 11.A OE2 no hydrogen 2.956 N/A GLY 152.A N VAL 133.A O no hydrogen 2.868 N/A ILE 154.A N ILE 131.A O no hydrogen 2.834 N/A ARG 155.A N GLY 178.A O no hydrogen 3.355 N/A ARG 155.A NH1 GLY 128.A O no hydrogen 2.864 N/A VAL 156.A N LYS 129.A O no hydrogen 3.007 N/A ILE 157.A N CYS 176.A O no hydrogen 2.951 N/A GLN 159.A NE2 MET 174.A O no hydrogen 3.327 N/A CYS 162.A N GLN 158.A O no hydrogen 2.963 N/A GLU 163.A N GLN 159.A O no hydrogen 2.857 N/A ASN 164.A N THR 160.A O no hydrogen 3.060 N/A LEU 165.A N THR 161.A O no hydrogen 3.009 N/A LEU 166.A N CYS 162.A O no hydrogen 3.225 N/A GLN 169.A N LEU 166.A O no hydrogen 3.205 N/A GLN 169.A NE2 PRO 167.A O no hydrogen 3.086 N/A THR 171.A OG1 ASP 95.A OD2 no hydrogen 2.762 N/A ARG 173.A N THR 171.A OG1 no hydrogen 3.166 N/A ARG 173.A NE ASP 95.A OD2 no hydrogen 2.928 N/A ARG 173.A NH2 ASP 95.A OD1 no hydrogen 2.824 N/A ARG 173.A NH2 ASP 95.A OD2 no hydrogen 3.545 N/A MET 174.A N THR 171.A O no hydrogen 2.975 N/A MET 175.A N.A TYR 225.A O no hydrogen 2.843 N/A MET 175.A N.B TYR 225.A O no hydrogen 2.842 N/A VAL 177.A N GLY 223.A O no hydrogen 3.058 N/A GLY 178.A N ARG 155.A O no hydrogen 2.911 N/A GLY 183.A N ALA 217.A O no hydrogen 3.053 N/A ASP 185.A N VAL 2.A O no hydrogen 3.082 N/A SER 186.A OG TYR 225.A OH no hydrogen 3.226 N/A CYS 187.A N ASP 190.A OD2 no hydrogen 2.876 N/A ASP 190.A N CYS 187.A O no hydrogen 2.900 N/A SER 191.A OG SER 211.A O no hydrogen 3.409 N/A GLY 192.A N VAL 210.A O no hydrogen 2.890 N/A GLY 193.A N ASP 190.A O no hydrogen 3.115 N/A LEU 195.A N GLY 208.A O no hydrogen 2.971 N/A SER 196.A N TRP 132.A O no hydrogen 2.857 N/A SER 197.A N PHE 205.A O no hydrogen 2.843 N/A SER 197.A OG GLU 199.A OE2 no hydrogen 2.678 N/A GLU 199.A N ARG 203.A O no hydrogen 2.872 N/A GLY 202.A N GLU 199.A O no hydrogen 2.917 N/A ARG 203.A N ASP 201A.A OD2 no hydrogen 3.025 N/A ARG 203.A NE ASP 201A.A OD1 no hydrogen 3.189 N/A PHE 205.A N SER 197.A O no hydrogen 2.920 N/A GLN 206.A N CYS 117.A O no hydrogen 2.917 N/A GLN 206.A NE2 GLY 208.A O no hydrogen 2.944 N/A ALA 207.A N LEU 195.A O no hydrogen 2.953 N/A VAL 209.A N THR 226.A O no hydrogen 2.897 N/A VAL 210.A N GLY 193.A O no hydrogen 2.915 N/A SER 211.A N VAL 224.A O no hydrogen 3.124 N/A SER 211.A OG ASP 97.A OD2 no hydrogen 2.666 N/A TRP 212.A N VAL 224.A O no hydrogen 3.086 N/A CYS 216.A SG SER 186.A O no hydrogen 3.634 N/A ALA 217.A N ASP 185.A OD2 no hydrogen 2.783 N/A ASN 220.A N LEU 180.A O no hydrogen 2.727 N/A LYS 221.A N GLN 218A.A O no hydrogen 3.082 N/A LYS 221.A NZ ASP 214.A OD2 no hydrogen 2.948 N/A GLY 223.A N ASP 185.A OD1 no hydrogen 2.984 N/A VAL 224.A N TRP 212.A O no hydrogen 2.764 N/A TYR 225.A N MET 175.A O.A no hydrogen 2.884 N/A TYR 225.A N MET 175.A O.B no hydrogen 2.798 N/A THR 226.A N VAL 209.A O no hydrogen 2.865 N/A THR 226.A OG1 ASP 97.A O no hydrogen 2.788 N/A ARG 227.A N ARG 173.A O no hydrogen 2.846 N/A ARG 227.A NE MET 174.A O no hydrogen 2.972 N/A LEU 228.A N.A ALA 207.A O no hydrogen 3.202 N/A LEU 228.A N.B ALA 207.A O no hydrogen 3.229 N/A LEU 228.A N.C ALA 207.A O no hydrogen 3.145 N/A PHE 231.A N LEU 228.A O.A no hydrogen 2.878 N/A PHE 231.A N LEU 228.A O.B no hydrogen 2.898 N/A PHE 231.A N LEU 228.A O.C no hydrogen 2.705 N/A ARG 232.A N PRO 229.A O no hydrogen 3.121 N/A ARG 232.A NH1 ARG 232.A O no hydrogen 3.088 N/A ARG 232.A NH1 VAL 241.A OXT no hydrogen 2.826 N/A ARG 232.A NH2 VAL 241.A O no hydrogen 2.822 N/A ARG 232.A NH2 VAL 241.A OXT no hydrogen 3.387 N/A ILE 235.A N PHE 231.A O no hydrogen 2.893 N/A LYS 236.A N ARG 232.A O no hydrogen 3.035 N/A GLU 237.A N ASP 233.A O no hydrogen 2.878 N/A ASN 238.A N TRP 234.A O no hydrogen 3.062 N/A ASN 238.A ND2 TRP 234.A O no hydrogen 2.892 N/A THR 239.A N ILE 235.A O no hydrogen 2.954 N/A THR 239.A OG1 ILE 235.A O no hydrogen 2.766 N/A GLY 240.A N LYS 236.A O no hydrogen 2.873 N/A VAL 241.A N THR 239.A OG1 no hydrogen 2.940 N/A ALA 72A.A N GLN 69.A O no hydrogen 3.339 N/A GLY 182A.A N PHE 179A.A O no hydrogen 2.932 N/A GLN 218A.A NE2 ASP 214.A O no hydrogen 3.048 N/A ASP 47B.A N PHE 50E.A O no hydrogen 3.032 N/A GLY 49D.A N ASP 47B.A OD1 no hydrogen 2.959 N/A PHE 50E.A N ASP 47B.A O no hydrogen 3.331 N/A TYR 52G.A N PHE 50E.A O no hydrogen 3.142 N/A TYR 52G.A OH GLN 23.A OE1 no hydrogen 2.816 N/A SER 53H.A N ASP 46A.A OD1 no hydrogen 2.917 N/A SER 53H.A OG ASP 46A.A OD1 no hydrogen 2.599 N/A SER 53H.A OG ASP 46A.A OD2 no hydrogen 3.340 N/A ASP 54I.A N ARG 51F.A O no hydrogen 3.060 N/A