Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5hbd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N GLU 4.A OE1 no hydrogen 2.964 N/A LYS 2.A NZ GLU 5.A OE2 no hydrogen 3.077 N/A GLU 4.A N SER 1.A OG no hydrogen 3.332 N/A GLU 5.A N LYS 2.A O no hydrogen 3.158 N/A LEU 6.A N GLY 3.A O no hydrogen 3.130 N/A PHE 7.A N GLU 4.A O no hydrogen 3.037 N/A THR 8.A OG1 GLU 5.A O no hydrogen 3.370 N/A VAL 11.A N GLY 34.A O no hydrogen 2.916 N/A ILE 13.A N GLY 32.A O no hydrogen 2.877 N/A LEU 14.A N LEU 115.A O no hydrogen 2.916 N/A VAL 15.A N GLY 30.A O no hydrogen 2.822 N/A GLU 16.A N ASN 117.A O no hydrogen 2.902 N/A LEU 17.A N VAL 28.A O no hydrogen 2.911 N/A ASP 18.A N ILE 119.A O no hydrogen 3.102 N/A GLY 19.A N PHE 26.A O no hydrogen 2.846 N/A ASP 20.A N LEU 121.A O no hydrogen 2.979 N/A VAL 21.A N HIS 24.A O no hydrogen 3.002 N/A ASN 22.A N GLY 123.A O no hydrogen 2.932 N/A ASN 22.A ND2 PHE 126.A O no hydrogen 2.899 N/A GLY 23.A N ASP 20.A OD1 no hydrogen 2.827 N/A HIS 24.A N VAL 21.A O no hydrogen 2.920 N/A LYS 25.A NZ ASP 20.A OD2 no hydrogen 3.447 N/A PHE 26.A N GLY 19.A O no hydrogen 2.965 N/A SER 27.A N THR 49.A OG1 no hydrogen 3.105 N/A SER 27.A OG ASP 18.A OD1 no hydrogen 2.715 N/A VAL 28.A N LEU 17.A O no hydrogen 2.910 N/A SER 29.A N ILE 46.A O no hydrogen 2.951 N/A SER 29.A OG GLU 16.A OE1.B no hydrogen 2.948 N/A GLY 30.A N VAL 15.A O no hydrogen 2.835 N/A GLU 31.A N LYS 44.A O no hydrogen 2.978 N/A GLY 32.A N ILE 13.A O no hydrogen 3.143 N/A GLU 33.A N THR 42.A O no hydrogen 2.857 N/A GLY 34.A N VAL 11.A O no hydrogen 2.889 N/A ASP 35.A N LYS 40.A O no hydrogen 2.795 N/A THR 37.A OG1 THR 8.A O no hydrogen 3.496 N/A TYR 38.A N ASP 35.A O no hydrogen 3.011 N/A GLY 39.A N ALA 36.A O no hydrogen 3.138 N/A LYS 40.A N ASP 35.A O no hydrogen 3.069 N/A LEU 41.A N GLU 218.A O no hydrogen 2.815 N/A THR 42.A N GLU 33.A O no hydrogen 3.036 N/A THR 42.A OG1 GLU 33.A O no hydrogen 3.470 N/A LEU 43.A N LEU 216.A O no hydrogen 3.007 N/A LYS 44.A N GLU 31.A O no hydrogen 2.949 N/A LYS 44.A NZ ASP 206.A OD2 no hydrogen 2.770 N/A LYS 44.A NZ GLU 209.A OE2 no hydrogen 2.851 N/A PHE 45.A N MET 214.A O no hydrogen 2.793 N/A ILE 46.A N SER 29.A O no hydrogen 2.713 N/A CYS 47.A N ASP 212.A O no hydrogen 2.896 N/A CYS 47.A SG SER 27.A O no hydrogen 3.603 N/A CYS 47.A SG THR 49.A OG1 no hydrogen 3.378 N/A CYS 47.A SG GLY 50.A O no hydrogen 3.253 N/A THR 48.A N SER 27.A O no hydrogen 3.015 N/A THR 48.A OG1 SER 27.A O no hydrogen 3.485 N/A LEU 52.A N ASP 212.A OD2 no hydrogen 2.747 N/A TRP 56.A NE1 ASP 212.A OD1 no hydrogen 2.848 N/A THR 58.A N PRO 55.A O no hydrogen 2.955 N/A THR 58.A OG1 PRO 55.A O no hydrogen 2.744 N/A THR 58.A OG1 TYR 102.A OH no hydrogen 2.906 N/A LEU 59.A N TRP 56.A O no hydrogen 3.082 N/A VAL 60.A N PRO 57.A O no hydrogen 3.451 N/A THR 61.A OG1 HIS 177.A NE2 no hydrogen 2.706 N/A PHE 63.A N LEU 59.A O no hydrogen 2.900 N/A CYS 66.A SG TYR 88.A OH no hydrogen 3.711 N/A PHE 67.A N LEU 64.A O no hydrogen 2.939 N/A ALA 68.A N GLN 65.A O no hydrogen 3.126 N/A ARG 69.A N VAL 220.A O no hydrogen 2.857 N/A TYR 70.A OH HIS 195.A NE2 no hydrogen 2.700 N/A HIS 73.A NE2 ILE 225.A O no hydrogen 2.775 N/A MET 74.A N PRO 71.A O no hydrogen 2.855 N/A LYS 75.A N ASP 72.A O no hydrogen 3.299 N/A LYS 75.A NZ TYR 70.A O no hydrogen 2.890 N/A HIS 77.A N MET 74.A O no hydrogen 2.906 N/A ASP 78.A N LYS 75.A O no hydrogen 3.460 N/A LYS 81.A N ASP 78.A OD1 no hydrogen 3.137 N/A LYS 81.A NZ CYS 66.A O no hydrogen 2.890 N/A LYS 81.A NZ ALA 68.A O no hydrogen 2.819 N/A LYS 81.A NZ ASP 78.A OD2 no hydrogen 2.808 N/A SER 82.A N ASP 78.A O no hydrogen 3.379 N/A SER 82.A OG PHE 79.A O no hydrogen 2.763 N/A ALA 83.A N PHE 79.A O no hydrogen 3.101 N/A MET 84.A N LYS 81.A O no hydrogen 3.026 N/A GLU 86.A N GLU 86.A OE1.A no hydrogen 2.893 N/A GLY 87.A N ALA 83.A O no hydrogen 2.856 N/A TYR 88.A N VAL 108.A O no hydrogen 2.941 N/A VAL 89.A N THR 182.A O no hydrogen 2.833 N/A GLN 90.A N ALA 106.A O no hydrogen 2.819 N/A GLU 91.A N GLN 180.A O no hydrogen 2.921 N/A ARG 92.A N THR 104.A O no hydrogen 2.910 N/A ARG 92.A NE GLN 179.A OE1 no hydrogen 2.910 N/A ARG 92.A NH1 THR 61.A O no hydrogen 2.772 N/A ARG 92.A NH2 GLN 179.A OE1 no hydrogen 2.880 N/A THR 93.A N TYR 178.A O no hydrogen 3.008 N/A ILE 94.A N TYR 102.A O no hydrogen 2.745 N/A PHE 95.A N ASP 176.A O no hydrogen 2.895 N/A PHE 96.A N GLY 100.A O no hydrogen 3.070 N/A LYS 97.A N LEU 174.A O no hydrogen 3.029 N/A ASP 99.A N PHE 96.A O no hydrogen 2.925 N/A GLY 100.A N ASP 99.A OD1 no hydrogen 2.850 N/A ASN 101.A N ILE 124.A O no hydrogen 3.130 N/A TYR 102.A N ILE 94.A O no hydrogen 2.989 N/A TYR 102.A OH THR 58.A OG1 no hydrogen 2.906 N/A LYS 103.A N LYS 122.A O no hydrogen 2.766 N/A LYS 103.A NZ ASN 101.A OD1 no hydrogen 3.130 N/A THR 104.A N ARG 92.A O no hydrogen 2.875 N/A ARG 105.A N GLU 120.A O no hydrogen 3.000 N/A ARG 105.A NH1 GLU 107.A OE2 no hydrogen 3.259 N/A ARG 105.A NH2 GLU 107.A OE2 no hydrogen 3.324 N/A ALA 106.A N GLN 90.A O no hydrogen 2.860 N/A GLU 107.A N ARG 118.A O no hydrogen 2.931 N/A VAL 108.A N TYR 88.A O no hydrogen 2.958 N/A LYS 109.A N VAL 116.A O no hydrogen 3.039 N/A PHE 110.A N PRO 85.A O no hydrogen 3.243 N/A GLU 111.A N THR 114.A O no hydrogen 2.816 N/A THR 114.A N GLU 111.A O no hydrogen 3.181 N/A LEU 115.A N PRO 12.A O no hydrogen 2.791 N/A VAL 116.A N LYS 109.A O no hydrogen 2.906 N/A ASN 117.A N LEU 14.A O no hydrogen 2.866 N/A ASN 117.A ND2 THR 62.A O no hydrogen 3.552 N/A ASN 117.A ND2 PHE 63.A O no hydrogen 2.939 N/A ARG 118.A N GLU 107.A O no hydrogen 3.000 N/A ARG 118.A NH1 GLU 111.A OE2 no hydrogen 2.744 N/A ILE 119.A N GLU 16.A O no hydrogen 2.788 N/A GLU 120.A N ARG 105.A O no hydrogen 2.888 N/A LEU 121.A N ASP 18.A O no hydrogen 2.929 N/A LYS 122.A N LYS 103.A O no hydrogen 2.882 N/A GLY 123.A N ASP 20.A O no hydrogen 2.698 N/A ILE 124.A N ASN 101.A O no hydrogen 3.022 N/A PHE 126.A N ASN 22.A OD1 no hydrogen 3.062 N/A LYS 127.A N ASP 99.A OD1 no hydrogen 2.829 N/A LYS 127.A NZ ASP 98.A O no hydrogen 2.731 N/A GLY 130.A N LYS 127.A O no hydrogen 3.264 N/A ASN 131.A ND2 GLN 173.A OE1 no hydrogen 2.924 N/A GLY 134.A N GLY 130.A O no hydrogen 2.827 N/A HIS 135.A N ILE 132.A O no hydrogen 3.079 N/A LYS 136.A N ASN 131.A O no hydrogen 2.945 N/A LYS 136.A NZ ASP 129.A O no hydrogen 2.851 N/A LYS 136.A NZ ASP 129.A OD2 no hydrogen 3.236 N/A GLU 138.A N ASN 166.A O no hydrogen 2.919 N/A TYR 139.A OH SER 204.A O no hydrogen 2.567 N/A ASN 140.A ND2 GLU 138.A OE1 no hydrogen 3.073 N/A ASN 142.A ND2 ARG 164.A O no hydrogen 2.833 N/A ASN 142.A ND2 ASN 166.A OD1 no hydrogen 2.965 N/A HIS 144.A N THR 199.A O no hydrogen 3.295 N/A HIS 144.A N THR 199.A OG1 no hydrogen 3.192 N/A ASN 145.A ND2 TYR 147.A OH no hydrogen 3.187 N/A VAL 146.A N LEU 197.A O no hydrogen 2.849 N/A TYR 147.A N ASN 160.A O no hydrogen 2.975 N/A ILE 148.A N HIS 195.A O no hydrogen 2.804 N/A MET 149.A N LYS 158.A O no hydrogen 2.936 N/A ASP 151.A N GLY 156.A O no hydrogen 2.800 N/A LYS 154.A N ASP 151.A O no hydrogen 2.994 N/A ASN 155.A N LYS 152.A O no hydrogen 2.883 N/A GLY 156.A N ASP 151.A O no hydrogen 3.100 N/A ILE 157.A N ASN 181.A O no hydrogen 3.063 N/A LYS 158.A N MET 149.A O no hydrogen 2.892 N/A LYS 158.A NZ GLN 180.A OE1 no hydrogen 2.760 N/A VAL 159.A N GLN 179.A O no hydrogen 2.814 N/A ASN 160.A N TYR 147.A O no hydrogen 2.969 N/A PHE 161.A N HIS 177.A O no hydrogen 3.413 N/A ILE 163.A N ALA 175.A O no hydrogen 2.912 N/A ARG 164.A N HIS 144.A NE2 no hydrogen 3.135 N/A HIS 165.A N GLN 173.A O no hydrogen 2.898 N/A ILE 167.A N SER 171.A O no hydrogen 2.884 N/A GLU 168.A N LYS 136.A O no hydrogen 2.915 N/A GLY 170.A N ILE 167.A O no hydrogen 2.938 N/A SER 171.A N ASP 169.A OD1 no hydrogen 2.957 N/A SER 171.A OG ASP 169.A OD1 no hydrogen 2.571 N/A GLN 173.A N HIS 165.A O no hydrogen 2.839 N/A GLN 173.A NE2 LYS 97.A O no hydrogen 2.907 N/A GLN 173.A NE2 LEU 174.A O no hydrogen 3.046 N/A ALA 175.A N ILE 163.A O no hydrogen 2.867 N/A ASP 176.A N PHE 95.A O no hydrogen 2.886 N/A HIS 177.A N PHE 161.A O no hydrogen 2.802 N/A HIS 177.A ND1 ALA 175.A O no hydrogen 2.963 N/A HIS 177.A NE2 THR 61.A OG1 no hydrogen 2.706 N/A TYR 178.A N THR 93.A O no hydrogen 2.955 N/A TYR 178.A OH ASP 176.A OD2 no hydrogen 2.696 N/A GLN 179.A N VAL 159.A O no hydrogen 2.989 N/A GLN 179.A NE2 GLN 65.A OE1 no hydrogen 2.891 N/A GLN 179.A NE2 ASN 181.A OD1 no hydrogen 2.811 N/A GLN 180.A N GLU 91.A O no hydrogen 2.937 N/A GLN 180.A NE2 ASP 151.A OD2 no hydrogen 2.593 N/A GLN 180.A NE2 ILE 157.A O no hydrogen 3.250 N/A ASN 181.A N ILE 157.A O no hydrogen 3.029 N/A ASN 181.A ND2 GLN 90.A OE1 no hydrogen 2.921 N/A THR 182.A N VAL 89.A O no hydrogen 2.984 N/A ILE 184.A N GLY 87.A O no hydrogen 2.911 N/A LEU 190.A N SER 82.A OG no hydrogen 2.877 N/A ASP 193.A N HIS 77.A ND1 no hydrogen 3.125 N/A HIS 195.A N ILE 148.A O no hydrogen 3.172 N/A HIS 195.A ND1 ASP 193.A O no hydrogen 2.886 N/A HIS 195.A NE2 TYR 70.A OH no hydrogen 2.700 N/A TYR 196.A N ALA 223.A O no hydrogen 3.003 N/A LEU 197.A N VAL 146.A O no hydrogen 2.855 N/A SER 198.A N THR 221.A O no hydrogen 2.785 N/A THR 199.A N HIS 144.A O no hydrogen 2.881 N/A THR 199.A OG1 HIS 144.A O no hydrogen 3.100 N/A GLN 200.A N PHE 219.A O no hydrogen 3.034 N/A SER 201.A OG GLU 218.A OE2 no hydrogen 2.638 N/A ALA 202.A N LEU 217.A O no hydrogen 2.810 N/A SER 204.A N VAL 215.A O no hydrogen 2.887 N/A SER 204.A OG LYS 205.A O no hydrogen 3.517 N/A LYS 205.A N SER 204.A OG no hydrogen 2.773 N/A LYS 205.A NZ TYR 139.A OH no hydrogen 3.526 N/A LYS 205.A NZ HIS 213.A O no hydrogen 2.725 N/A ASP 206.A N HIS 213.A NE2 no hydrogen 2.970 N/A ASN 208.A N ASP 206.A OD1 no hydrogen 3.040 N/A GLU 209.A N ASP 206.A O no hydrogen 3.066 N/A ARG 211.A N GLU 209.A OE1 no hydrogen 2.902 N/A ARG 211.A NE GLU 209.A OE1 no hydrogen 2.792 N/A ARG 211.A NH2 GLU 209.A OE1 no hydrogen 3.559 N/A ARG 211.A NH2 GLU 209.A OE2 no hydrogen 3.015 N/A HIS 213.A ND1 ARG 211.A O no hydrogen 2.800 N/A MET 214.A N PHE 45.A O no hydrogen 2.935 N/A VAL 215.A N SER 204.A O no hydrogen 3.018 N/A LEU 216.A N LEU 43.A O no hydrogen 2.782 N/A LEU 217.A N ALA 202.A O no hydrogen 2.974 N/A GLU 218.A N LEU 41.A O no hydrogen 2.933 N/A PHE 219.A N GLN 200.A O no hydrogen 2.966 N/A VAL 220.A N GLY 39.A O no hydrogen 2.827 N/A THR 221.A N SER 198.A O no hydrogen 2.985 N/A ALA 222.A N ARG 69.A O no hydrogen 2.824 N/A ALA 223.A N TYR 196.A O no hydrogen 2.854 N/A GLY 228.A N THR 226.A OG1 no hydrogen 2.945 N/A MET 229.A N HIS 227.A ND1 no hydrogen 3.116 N/A TYR 233.A N MET 229.A O no hydrogen 3.032 N/A LYS 234.A N ASP 230.A O no hydrogen 3.100 N/A LYS 234.A NZ GLU 231.A OE2 no hydrogen 3.253 N/A ALA 235.A N GLU 231.A O no hydrogen 2.879 N/A MET 236.A N LEU 232.A O no hydrogen 2.925 N/A ALA 237.A N TYR 233.A O no hydrogen 2.945 N/A LYS 238.A N LYS 234.A O no hydrogen 3.116 N/A GLU 239.A N MET 236.A O no hydrogen 3.040 N/A