Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1s8j_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A N ILE 1.A O no hydrogen 3.410 N/A ARG 4.A NE TYR 61.A OH no hydrogen 2.969 N/A ARG 4.A NH2 TYR 61.A OH no hydrogen 3.218 N/A ILE 8.A N ARG 4.A O no hydrogen 3.177 N/A TRP 9.A N PRO 5.A O no hydrogen 2.950 N/A LEU 10.A N GLU 6.A O no hydrogen 3.245 N/A ALA 11.A N TRP 7.A O no hydrogen 2.885 N/A LEU 12.A N ILE 8.A O no hydrogen 2.932 N/A GLY 13.A N TRP 9.A O no hydrogen 2.911 N/A THR 14.A N LEU 10.A O no hydrogen 3.022 N/A THR 14.A OG1 LEU 10.A O no hydrogen 2.752 N/A ALA 15.A N ALA 11.A O no hydrogen 3.039 N/A LEU 16.A N LEU 12.A O no hydrogen 2.907 N/A MET 17.A N GLY 13.A O no hydrogen 2.967 N/A GLY 18.A N THR 14.A O no hydrogen 2.886 N/A LEU 19.A N ALA 15.A O no hydrogen 2.883 N/A GLY 20.A N LEU 16.A O no hydrogen 2.962 N/A THR 21.A N MET 17.A O no hydrogen 3.156 N/A THR 21.A OG1 MET 17.A O no hydrogen 2.845 N/A LEU 22.A N GLY 18.A O no hydrogen 3.116 N/A TYR 23.A N LEU 19.A O no hydrogen 2.868 N/A PHE 24.A N GLY 20.A O no hydrogen 2.872 N/A LEU 25.A N THR 21.A O no hydrogen 2.909 N/A VAL 26.A N LEU 22.A O no hydrogen 2.866 N/A LYS 27.A N TYR 23.A O no hydrogen 2.853 N/A LYS 27.A NZ TYR 40.A OH no hydrogen 3.082 N/A LYS 27.A NZ LEU 208.A O no hydrogen 2.919 N/A GLY 28.A N PHE 24.A O no hydrogen 2.834 N/A MET 29.A N LEU 25.A O no hydrogen 3.131 N/A MET 29.A N VAL 26.A O no hydrogen 3.277 N/A ALA 36.A N ASP 33.A OD2 no hydrogen 3.059 N/A LYS 37.A N ASP 33.A O no hydrogen 2.970 N/A LYS 37.A NZ GLY 28.A O no hydrogen 3.548 N/A LYS 38.A N PRO 34.A O no hydrogen 3.403 N/A LYS 38.A N ASP 35.A O no hydrogen 3.082 N/A PHE 39.A N ASP 35.A O no hydrogen 3.482 N/A TYR 40.A N ALA 36.A O no hydrogen 3.129 N/A ALA 41.A N LYS 37.A O no hydrogen 3.060 N/A ILE 42.A N LYS 38.A O no hydrogen 3.163 N/A THR 43.A N PHE 39.A O no hydrogen 2.855 N/A THR 43.A OG1 PHE 39.A O no hydrogen 2.659 N/A THR 43.A OG1 ASP 80.A OD1 no hydrogen 2.763 N/A THR 43.A OG1 ASP 80.A OD2 no hydrogen 3.421 N/A THR 44.A N TYR 40.A O no hydrogen 2.896 N/A THR 44.A OG1 TYR 40.A O no hydrogen 2.616 N/A LEU 45.A N ALA 41.A O no hydrogen 3.034 N/A VAL 46.A N ILE 42.A O no hydrogen 3.159 N/A ILE 49.A N LEU 45.A O no hydrogen 2.917 N/A ALA 50.A N VAL 46.A O no hydrogen 3.267 N/A PHE 51.A N PRO 47.A O no hydrogen 2.862 N/A THR 52.A N ALA 48.A O no hydrogen 3.194 N/A THR 52.A OG1 ALA 48.A O no hydrogen 3.058 N/A MET 53.A N ILE 49.A O no hydrogen 3.039 N/A TYR 54.A N ALA 50.A O no hydrogen 2.755 N/A TYR 54.A OH ASP 196.A OD1 no hydrogen 2.776 N/A LEU 55.A N PHE 51.A O no hydrogen 2.795 N/A SER 56.A N THR 52.A O no hydrogen 2.887 N/A SER 56.A OG THR 52.A O no hydrogen 3.048 N/A MET 57.A N MET 53.A O no hydrogen 3.042 N/A LEU 58.A N TYR 54.A O no hydrogen 3.250 N/A LEU 59.A N LEU 55.A O no hydrogen 3.032 N/A GLY 60.A N SER 56.A O no hydrogen 3.093 N/A TYR 61.A N LEU 58.A O no hydrogen 3.190 N/A TYR 61.A OH GLU 6.A OE1 no hydrogen 2.879 N/A TYR 63.A OH GLU 6.A OE2 no hydrogen 2.789 N/A ARG 66.A N TYR 63.A O no hydrogen 2.888 N/A ALA 68.A N TRP 64.A O no hydrogen 3.391 N/A SER 69.A N.A ALA 65.A O no hydrogen 3.147 N/A SER 69.A N.B ALA 65.A O no hydrogen 3.153 N/A SER 69.A N.B ARG 66.A O no hydrogen 3.142 N/A SER 69.A OG.B ARG 66.A O no hydrogen 2.978 N/A TRP 70.A N ARG 66.A O no hydrogen 2.846 N/A TRP 70.A NE1 ASP 196.A OD2 no hydrogen 3.087 N/A LEU 71.A N TYR 67.A O no hydrogen 2.757 N/A PHE 72.A N ALA 68.A O no hydrogen 3.306 N/A THR 73.A N SER 69.A O.A no hydrogen 2.913 N/A THR 73.A N SER 69.A O.B no hydrogen 2.923 N/A THR 73.A OG1 SER 69.A O.A no hydrogen 2.770 N/A THR 73.A OG1 SER 69.A O.B no hydrogen 2.747 N/A THR 74.A N TRP 70.A O no hydrogen 2.926 N/A THR 74.A OG1 TRP 70.A O no hydrogen 2.590 N/A THR 74.A OG1 ASP 99.A OD1 no hydrogen 3.086 N/A THR 74.A OG1 ASP 99.A OD2 no hydrogen 2.707 N/A LEU 77.A N THR 73.A O no hydrogen 2.988 N/A LEU 78.A N THR 74.A O no hydrogen 3.140 N/A LEU 79.A N PRO 75.A O no hydrogen 2.995 N/A ASP 80.A N LEU 76.A O no hydrogen 2.996 N/A LEU 81.A N LEU 77.A O no hydrogen 3.240 N/A ALA 82.A N LEU 78.A O no hydrogen 2.795 N/A LEU 83.A N LEU 79.A O no hydrogen 2.780 N/A LEU 84.A N ASP 80.A O no hydrogen 3.084 N/A VAL 85.A N LEU 81.A O no hydrogen 3.215 N/A ASP 86.A N LEU 83.A O no hydrogen 3.296 N/A ALA 87.A N ALA 82.A O no hydrogen 2.901 N/A THR 91.A N ASP 88.A OD1 no hydrogen 3.209 N/A THR 91.A OG1 ASP 88.A O no hydrogen 2.948 N/A ILE 92.A N ASP 88.A O no hydrogen 3.192 N/A LEU 93.A N GLN 89.A O no hydrogen 2.873 N/A ALA 94.A N GLY 90.A O no hydrogen 3.141 N/A LEU 95.A N THR 91.A O no hydrogen 2.904 N/A VAL 96.A N ILE 92.A O no hydrogen 2.973 N/A GLY 97.A N LEU 93.A O no hydrogen 2.918 N/A ALA 98.A N ALA 94.A O no hydrogen 2.943 N/A ASP 99.A N LEU 95.A O no hydrogen 2.894 N/A GLY 100.A N VAL 96.A O no hydrogen 2.816 N/A ILE 101.A N GLY 97.A O no hydrogen 3.139 N/A MET 102.A N ALA 98.A O no hydrogen 2.864 N/A ILE 103.A N ASP 99.A O no hydrogen 2.949 N/A GLY 104.A N GLY 100.A O no hydrogen 2.850 N/A THR 105.A N ILE 101.A O no hydrogen 2.834 N/A THR 105.A OG1 ILE 101.A O no hydrogen 2.771 N/A THR 105.A OG1 MET 102.A O no hydrogen 3.539 N/A GLY 106.A N MET 102.A O no hydrogen 3.193 N/A LEU 107.A N ILE 103.A O no hydrogen 3.032 N/A VAL 108.A N GLY 104.A O no hydrogen 3.093 N/A GLY 109.A N THR 105.A O no hydrogen 2.855 N/A ALA 110.A N GLY 106.A O no hydrogen 3.116 N/A ALA 110.A N LEU 107.A O no hydrogen 3.033 N/A LEU 111.A N LEU 107.A O no hydrogen 2.974 N/A LEU 111.A N VAL 108.A O no hydrogen 3.179 N/A THR 112.A N VAL 108.A O no hydrogen 3.110 N/A VAL 114.A N THR 112.A OG1 no hydrogen 3.409 N/A ARG 118.A NH1 SER 177.A O no hydrogen 3.393 N/A ARG 118.A NH1 GLY 179.A O no hydrogen 2.870 N/A PHE 119.A N SER 116.A O no hydrogen 3.234 N/A VAL 120.A N TYR 117.A O no hydrogen 2.985 N/A TRP 121.A N TYR 117.A O no hydrogen 3.284 N/A TRP 122.A N ARG 118.A O no hydrogen 3.158 N/A TRP 122.A NE1 PRO 170.A O no hydrogen 2.988 N/A ALA 123.A N PHE 119.A O no hydrogen 2.858 N/A ILE 124.A N VAL 120.A O no hydrogen 3.142 N/A SER 125.A N TRP 121.A O no hydrogen 2.905 N/A SER 125.A OG MET 102.A O no hydrogen 2.775 N/A THR 126.A N TRP 122.A O no hydrogen 2.802 N/A THR 126.A OG1 TRP 122.A O no hydrogen 2.820 N/A ALA 127.A N ALA 123.A O no hydrogen 2.945 N/A ALA 128.A N ILE 124.A O no hydrogen 3.079 N/A MET 129.A N SER 125.A O no hydrogen 2.945 N/A LEU 130.A N THR 126.A O no hydrogen 2.855 N/A TYR 131.A N ALA 127.A O no hydrogen 3.104 N/A ILE 132.A N ALA 128.A O no hydrogen 3.227 N/A LEU 133.A N MET 129.A O no hydrogen 2.955 N/A TYR 134.A N LEU 130.A O no hydrogen 2.912 N/A VAL 135.A N TYR 131.A O no hydrogen 2.946 N/A LEU 136.A N ILE 132.A O no hydrogen 2.888 N/A PHE 137.A N LEU 133.A O no hydrogen 2.809 N/A PHE 138.A N TYR 134.A O no hydrogen 2.967 N/A PHE 140.A N VAL 135.A O no hydrogen 2.878 N/A THR 141.A OG1 PHE 137.A O no hydrogen 2.612 N/A SER 142.A OG PHE 138.A O no hydrogen 3.185 N/A LYS 143.A NZ VAL 85.A O no hydrogen 2.921 N/A ALA 144.A N PHE 140.A O no hydrogen 2.876 N/A GLU 145.A N THR 141.A O no hydrogen 2.873 N/A SER 146.A OG LYS 143.A O no hydrogen 2.758 N/A MET 147.A N ALA 144.A O no hydrogen 2.995 N/A ARG 148.A NE GLU 150.A OE1 no hydrogen 3.049 N/A ARG 148.A NH1 PHE 214.A O no hydrogen 3.566 N/A ARG 148.A NH2 GLU 150.A OE1 no hydrogen 3.448 N/A ARG 148.A NH2 ARG 211.A O no hydrogen 3.010 N/A ARG 148.A NH2 PHE 214.A O no hydrogen 3.052 N/A ALA 152.A N ARG 148.A O no hydrogen 3.037 N/A SER 153.A N PRO 149.A O no hydrogen 2.930 N/A THR 154.A N GLU 150.A O no hydrogen 3.046 N/A THR 154.A OG1 GLU 150.A O no hydrogen 3.126 N/A THR 154.A OG1 SER 210.A OG no hydrogen 2.584 N/A PHE 155.A N VAL 151.A O no hydrogen 2.951 N/A LYS 156.A N ALA 152.A O no hydrogen 3.196 N/A LYS 156.A NZ ALA 152.A O no hydrogen 3.419 N/A VAL 157.A N SER 153.A O no hydrogen 3.426 N/A LEU 158.A N THR 154.A O no hydrogen 2.947 N/A ARG 159.A N PHE 155.A O no hydrogen 2.640 N/A ARG 159.A NE THR 141.A OG1 no hydrogen 3.160 N/A ARG 159.A NH1 ASN 160.A OD1 no hydrogen 2.747 N/A ARG 159.A NH2 THR 141.A OG1 no hydrogen 3.112 N/A ASN 160.A N LYS 156.A O no hydrogen 2.925 N/A VAL 161.A N VAL 157.A O no hydrogen 3.007 N/A THR 162.A N LEU 158.A O no hydrogen 2.856 N/A THR 162.A OG1 LEU 158.A O no hydrogen 2.783 N/A VAL 163.A N ARG 159.A O no hydrogen 2.972 N/A VAL 164.A N ASN 160.A O no hydrogen 3.174 N/A LEU 165.A N VAL 161.A O no hydrogen 2.967 N/A TRP 166.A N THR 162.A O no hydrogen 2.893 N/A SER 167.A N VAL 163.A O no hydrogen 3.122 N/A SER 167.A OG VAL 163.A O no hydrogen 2.645 N/A ALA 168.A N LEU 165.A O no hydrogen 3.239 N/A TYR 169.A N TRP 166.A O no hydrogen 3.207 N/A TYR 169.A OH ASP 196.A OD2 no hydrogen 2.721 N/A VAL 172.A N ALA 168.A O no hydrogen 2.983 N/A TRP 173.A N TYR 169.A O no hydrogen 2.870 N/A TRP 173.A NE1 TYR 67.A OH no hydrogen 2.809 N/A LEU 174.A N PRO 170.A O no hydrogen 3.007 N/A ILE 175.A N VAL 171.A O no hydrogen 3.141 N/A GLY 176.A N TRP 173.A O no hydrogen 3.283 N/A SER 177.A N GLU 188.A OE2 no hydrogen 3.392 N/A SER 177.A OG GLU 188.A OE2 no hydrogen 3.197 N/A GLU 178.A N GLU 178.A OE1 no hydrogen 2.787 N/A GLY 179.A N GLY 176.A O no hydrogen 3.101 N/A ALA 180.A N LEU 174.A O no hydrogen 2.710 N/A GLY 181.A N GLY 176.A O no hydrogen 2.828 N/A ILE 182.A N ILE 175.A O no hydrogen 2.842 N/A VAL 183.A N ILE 175.A O no hydrogen 2.937 N/A ILE 187.A N PRO 184.A O no hydrogen 3.247 N/A GLU 188.A N PRO 184.A O no hydrogen 3.190 N/A THR 189.A N LEU 185.A O no hydrogen 2.898 N/A THR 189.A OG1 TYR 63.A OH no hydrogen 3.009 N/A THR 189.A OG1 LEU 185.A O no hydrogen 2.907 N/A LEU 190.A N ASN 186.A O no hydrogen 3.226 N/A LEU 191.A N ILE 187.A O no hydrogen 2.922 N/A PHE 192.A N GLU 188.A O no hydrogen 2.935 N/A MET 193.A N THR 189.A O no hydrogen 3.064 N/A VAL 194.A N LEU 190.A O no hydrogen 2.959 N/A LEU 195.A N LEU 191.A O no hydrogen 2.930 N/A ASP 196.A N PHE 192.A O no hydrogen 2.696 N/A VAL 197.A N MET 193.A O no hydrogen 3.001 N/A SER 198.A N VAL 194.A O no hydrogen 3.086 N/A SER 198.A OG VAL 194.A O no hydrogen 2.847 N/A ALA 199.A N LEU 195.A O no hydrogen 2.864 N/A LYS 200.A N ASP 196.A O no hydrogen 3.095 N/A LYS 200.A N VAL 197.A O no hydrogen 3.336 N/A LYS 200.A NZ THR 73.A OG1 no hydrogen 3.298 N/A VAL 201.A N VAL 197.A O no hydrogen 2.824 N/A GLY 202.A N VAL 197.A O no hydrogen 3.005 N/A PHE 203.A N SER 198.A O no hydrogen 2.954 N/A GLY 204.A N LYS 200.A O no hydrogen 2.894 N/A LEU 205.A N VAL 201.A O no hydrogen 2.782 N/A ILE 206.A N GLY 202.A O no hydrogen 3.225 N/A LEU 207.A N PHE 203.A O no hydrogen 3.102 N/A LEU 208.A N GLY 204.A O no hydrogen 2.918 N/A ARG 209.A N LEU 205.A O no hydrogen 3.105 N/A ARG 209.A NE TYR 23.A OH no hydrogen 3.441 N/A ARG 209.A NH2 TYR 23.A OH no hydrogen 2.871 N/A SER 210.A N LEU 207.A O no hydrogen 3.153 N/A SER 210.A OG THR 154.A OG1 no hydrogen 2.584 N/A ARG 211.A NH1 GLU 216.A OE2 no hydrogen 3.205 N/A ALA 212.A N SER 210.A OG no hydrogen 2.974 N/A PHE 214.A N ARG 211.A O no hydrogen 3.072 N/A GLY 215.A N ASP 33.A OD2 no hydrogen 2.877 N/A