Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8s9a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A N SER 60.A OG no hydrogen 2.791 N/A VAL 8.A N VAL 76.A O no hydrogen 2.824 N/A LYS 11.A N ASP 9.A OD1 no hydrogen 3.064 N/A LYS 11.A NZ ASP 9.A OD2 no hydrogen 3.517 N/A LYS 11.A NZ GLU 12.A OE2 no hydrogen 2.556 N/A GLU 12.A N ASP 9.A O no hydrogen 2.873 N/A ILE 13.A N GLN 10.A O no hydrogen 3.158 N/A THR 14.A N ARG 31.A O no hydrogen 2.987 N/A LEU 16.A N GLU 29.A O no hydrogen 2.778 N/A HIS 18.A NE2 ASN 26.A OD1 no hydrogen 2.849 N/A LEU 19.A N VAL 27.A O no hydrogen 2.778 N/A GLY 20.A N VAL 27.A O no hydrogen 3.418 N/A GLN 21.A NE2 ASN 26.A OD1 no hydrogen 2.830 N/A GLY 22.A N THR 25.A O no hydrogen 2.977 N/A ARG 24.A NE GLU 171.A OE1 no hydrogen 2.726 N/A ARG 24.A NH2 GLU 171.A OE2 no hydrogen 2.879 N/A THR 25.A N GLY 22.A O no hydrogen 3.221 N/A ASN 26.A N VAL 43.A O no hydrogen 3.025 N/A VAL 27.A N GLY 20.A O no hydrogen 2.850 N/A TYR 28.A N LEU 41.A O no hydrogen 2.833 N/A GLU 29.A N SER 17.A O no hydrogen 2.833 N/A GLY 30.A N VAL 39.A O no hydrogen 2.804 N/A ARG 31.A N THR 14.A O no hydrogen 2.986 N/A ARG 31.A NH1 GLU 29.A OE2 no hydrogen 2.842 N/A ARG 31.A NH1 GLY 30.A O no hydrogen 3.103 N/A ARG 31.A NH2 GLU 29.A OE2 no hydrogen 3.533 N/A LEU 32.A N LEU 37.A O no hydrogen 2.814 N/A ARG 33.A N GLU 12.A O no hydrogen 2.857 N/A ARG 33.A NH1 THR 14.A OG1 no hydrogen 2.817 N/A ARG 33.A NH1 GLU 36.A OE1 no hydrogen 2.647 N/A ARG 33.A NH2 LYS 11.A O no hydrogen 2.813 N/A VAL 34.A N GLN 35.A O no hydrogen 3.148 N/A LEU 37.A N LEU 32.A O no hydrogen 2.725 N/A ARG 38.A NE GLU 29.A OE2 no hydrogen 3.112 N/A VAL 39.A N GLY 30.A O no hydrogen 3.001 N/A VAL 40.A N THR 87.A O no hydrogen 2.820 N/A LEU 41.A N TYR 28.A O no hydrogen 2.775 N/A LYS 42.A N MET 85.A O no hydrogen 2.784 N/A LYS 42.A NZ ASP 159.A OD2 no hydrogen 2.637 N/A VAL 43.A N ASN 26.A O no hydrogen 2.739 N/A LEU 44.A N ASN 83.A O no hydrogen 2.851 N/A ASP 45.A N ARG 24.A O no hydrogen 2.808 N/A SER 47.A OG ASP 45.A O no hydrogen 2.767 N/A ASP 50.A N HIS 48.A ND1 no hydrogen 3.100 N/A ILE 51.A N HIS 48.A O no hydrogen 2.981 N/A ALA 52.A N HIS 48.A O no hydrogen 3.242 N/A LEU 53.A N.A HIS 49.A O no hydrogen 2.806 N/A LEU 53.A N.B HIS 49.A O no hydrogen 2.827 N/A ALA 54.A N ASP 50.A O no hydrogen 3.080 N/A PHE 55.A N ILE 51.A O no hydrogen 2.957 N/A TYR 56.A N ALA 52.A O no hydrogen 2.953 N/A TYR 56.A OH ASN 83.A OD1 no hydrogen 2.580 N/A GLU 57.A N LEU 53.A O.A no hydrogen 2.761 N/A GLU 57.A N LEU 53.A O.B no hydrogen 2.833 N/A THR 58.A N ALA 54.A O no hydrogen 3.165 N/A THR 58.A OG1 ALA 54.A O no hydrogen 3.420 N/A THR 58.A OG1 GLY 161.A O no hydrogen 2.569 N/A ALA 59.A N PHE 55.A O no hydrogen 3.065 N/A SER 60.A N TYR 56.A O no hydrogen 2.847 N/A SER 60.A OG SER 4.A O no hydrogen 3.337 N/A LEU 61.A N GLU 57.A O no hydrogen 2.981 N/A MET 62.A N THR 58.A O no hydrogen 2.964 N/A SER 63.A N ALA 59.A O no hydrogen 3.030 N/A SER 63.A OG ALA 59.A O no hydrogen 2.620 N/A GLN 64.A N.A LEU 61.A O no hydrogen 3.227 N/A GLN 64.A N.B LEU 61.A O no hydrogen 3.182 N/A GLN 64.A NE2.A SER 4.A O no hydrogen 3.458 N/A GLN 64.A NE2.A SER 60.A O no hydrogen 3.089 N/A SER 66.A N TYR 124.A OH no hydrogen 3.129 N/A HIS 69.A N HIS 67.A ND1 no hydrogen 3.030 N/A HIS 69.A ND1 ILE 155.A O no hydrogen 2.754 N/A LEU 70.A N HIS 67.A O no hydrogen 3.029 N/A ALA 71.A N LEU 157.A O no hydrogen 2.928 N/A PHE 72.A N GLU 88.A OE1 no hydrogen 2.877 N/A HIS 74.A N VAL 86.A O no hydrogen 2.730 N/A GLY 75.A N VAL 86.A O no hydrogen 3.339 N/A VAL 76.A N HIS 6.A O.A no hydrogen 2.964 N/A VAL 76.A N HIS 6.A O.B no hydrogen 2.969 N/A CYS 77.A N ILE 84.A O.A no hydrogen 2.724 N/A CYS 77.A N ILE 84.A O.B no hydrogen 2.753 N/A CYS 77.A SG VAL 8.A O no hydrogen 3.464 N/A CYS 77.A SG VAL 78.A O no hydrogen 3.536 N/A ARG 79.A N GLU 82.A O no hydrogen 2.782 N/A ILE 84.A N.A CYS 77.A O no hydrogen 2.794 N/A ILE 84.A N.B CYS 77.A O no hydrogen 2.805 N/A MET 85.A N LYS 42.A O no hydrogen 2.896 N/A VAL 86.A N GLY 75.A O no hydrogen 2.856 N/A THR 87.A N VAL 40.A O no hydrogen 2.943 N/A GLU 88.A N PHE 72.A O no hydrogen 2.923 N/A HIS 92.A N LEU 142.A O no hydrogen 2.789 N/A GLY 93.A N VAL 90.A O no hydrogen 3.195 N/A LEU 95.A N ILE 140.A O no hydrogen 2.768 N/A ASP 96.A N GLY 137.A O no hydrogen 3.377 N/A TRP 98.A N PRO 94.A O no hydrogen 3.194 N/A LEU 99.A N LEU 95.A O no hydrogen 2.854 N/A ARG 100.A N ASP 96.A O no hydrogen 3.120 N/A ARG 100.A NH1 ASP 96.A OD2 no hydrogen 3.197 N/A ARG 100.A NH1 GLY 207.A O no hydrogen 2.681 N/A ARG 100.A NH2 ASP 96.A OD2 no hydrogen 3.094 N/A ARG 101.A N VAL 97.A O no hydrogen 3.110 N/A GLU 102.A N TRP 98.A O no hydrogen 2.882 N/A ARG 103.A NE ARG 100.A O no hydrogen 3.308 N/A HIS 105.A N GLU 102.A O no hydrogen 3.148 N/A TRP 110.A NE1 LEU 145.A O no hydrogen 2.765 N/A LYS 111.A N PRO 107.A O no hydrogen 3.295 N/A LYS 111.A NZ ILE 203.A O no hydrogen 3.239 N/A LYS 111.A NZ CYS 204.A O no hydrogen 3.040 N/A LYS 111.A NZ ASP 206.A OD1 no hydrogen 2.707 N/A MET 112.A N MET 108.A O no hydrogen 2.899 N/A VAL 113.A N ALA 109.A O no hydrogen 3.144 N/A VAL 114.A N TRP 110.A O no hydrogen 3.169 N/A ALA 115.A N LYS 111.A O no hydrogen 2.966 N/A GLN 116.A N MET 112.A O no hydrogen 2.987 N/A GLN 116.A NE2 LEU 262.A O no hydrogen 3.154 N/A GLN 117.A N VAL 113.A O no hydrogen 2.935 N/A GLN 117.A NE2 PRO 153.A O no hydrogen 2.912 N/A LEU 118.A N VAL 114.A O no hydrogen 2.945 N/A ALA 119.A N ALA 115.A O no hydrogen 2.880 N/A SER 120.A N.A GLN 116.A O no hydrogen 2.919 N/A SER 120.A N.A GLN 117.A O no hydrogen 3.114 N/A SER 120.A N.B GLN 116.A O no hydrogen 2.882 N/A SER 120.A OG.A GLN 117.A O no hydrogen 2.814 N/A SER 120.A OG.B GLN 116.A O no hydrogen 3.107 N/A ALA 121.A N GLN 117.A O no hydrogen 3.032 N/A LEU 122.A N LEU 118.A O no hydrogen 2.954 N/A SER 123.A N ALA 119.A O no hydrogen 2.757 N/A TYR 124.A N SER 120.A O.A no hydrogen 3.237 N/A TYR 124.A N SER 120.A O.B no hydrogen 3.101 N/A LEU 125.A N ALA 121.A O no hydrogen 3.130 N/A GLU 126.A N LEU 122.A O no hydrogen 2.845 N/A ASN 127.A N SER 123.A O no hydrogen 3.002 N/A LYS 128.A N TYR 124.A O no hydrogen 3.030 N/A ASN 129.A N GLU 126.A O no hydrogen 2.918 N/A LEU 130.A N LEU 125.A O no hydrogen 2.960 N/A HIS 132.A N ASP 192.A OD2 no hydrogen 2.780 N/A HIS 132.A NE2 SER 158.A O no hydrogen 2.674 N/A GLY 133.A N ASP 192.A OD1 no hydrogen 2.772 N/A ASN 134.A N HIS 132.A ND1 no hydrogen 3.106 N/A ASN 134.A ND2 PRO 160.A O no hydrogen 3.046 N/A CYS 136.A SG ASN 134.A O no hydrogen 3.666 N/A CYS 136.A SG ASN 134.A OD1 no hydrogen 3.864 N/A GLY 137.A N GLU 202.A OE1 no hydrogen 2.726 N/A ARG 138.A NE ASP 96.A OD1 no hydrogen 2.914 N/A ARG 138.A NE ASP 96.A OD2 no hydrogen 3.326 N/A ARG 138.A NH2 ASP 96.A OD2 no hydrogen 2.840 N/A ASN 139.A N CYS 136.A O no hydrogen 2.958 N/A ASN 139.A ND2 ASN 134.A O no hydrogen 2.802 N/A ILE 140.A N GLY 137.A O no hydrogen 3.147 N/A LEU 141.A N LYS 156.A O no hydrogen 2.788 N/A LEU 142.A N GLY 93.A O no hydrogen 2.909 N/A ALA 143.A N PHE 154.A O no hydrogen 2.779 N/A ARG 144.A N PHE 154.A O no hydrogen 3.307 N/A ARG 144.A NE SER 152.A O no hydrogen 2.896 N/A ARG 144.A NH2 SER 152.A O no hydrogen 3.194 N/A THR 151.A N ALA 148.A O no hydrogen 3.174 N/A THR 151.A OG1 ALA 148.A O no hydrogen 2.654 N/A PHE 154.A N ARG 144.A O no hydrogen 3.109 N/A ILE 155.A N GLN 117.A OE1 no hydrogen 2.908 N/A LYS 156.A N LEU 141.A O no hydrogen 2.836 N/A LYS 156.A NZ THR 68.A O no hydrogen 2.905 N/A LEU 157.A N HIS 69.A O no hydrogen 2.824 N/A SER 158.A N ASN 139.A O no hydrogen 2.686 N/A SER 158.A OG ASP 159.A O no hydrogen 2.785 N/A SER 158.A OG ASP 159.A OD2 no hydrogen 3.546 N/A GLY 161.A N ASP 159.A OD1 no hydrogen 2.925 N/A ALA 166.A N GLY 163.A O no hydrogen 2.946 N/A LEU 167.A N LEU 164.A O no hydrogen 3.078 N/A SER 168.A N GLU 171.A OE2 no hydrogen 2.871 N/A SER 168.A OG GLU 171.A OE2 no hydrogen 3.146 N/A ARG 169.A NE GLU 220.A OE1 no hydrogen 3.391 N/A ARG 169.A NH2 GLU 220.A OE1 no hydrogen 2.637 N/A GLU 171.A N SER 168.A OG no hydrogen 3.077 N/A ARG 172.A N SER 168.A O no hydrogen 3.049 N/A ARG 172.A NE CYS 183.A O no hydrogen 2.990 N/A ARG 172.A NE LEU 184.A O no hydrogen 3.030 N/A ARG 172.A NH1 LEU 167.A O no hydrogen 3.352 N/A ARG 172.A NH2 LEU 184.A O no hydrogen 2.572 N/A VAL 173.A N ARG 169.A O no hydrogen 2.845 N/A GLU 174.A N GLU 170.A O no hydrogen 3.105 N/A ARG 175.A N GLU 171.A O no hydrogen 3.304 N/A ARG 175.A N ARG 172.A O no hydrogen 3.074 N/A ARG 175.A NH2 THR 23.A OG1 no hydrogen 2.928 N/A ILE 176.A N VAL 173.A O no hydrogen 3.037 N/A TRP 178.A NE1 GLU 202.A OE1 no hydrogen 2.857 N/A LEU 179.A N ARG 175.A O no hydrogen 2.890 N/A GLU 182.A N GLU 182.A OE1 no hydrogen 2.819 N/A CYS 183.A N ALA 180.A O no hydrogen 2.830 N/A CYS 183.A SG SER 186.A O no hydrogen 4.044 N/A LEU 184.A N PRO 181.A O no hydrogen 3.206 N/A SER 188.A N SER 186.A O no hydrogen 2.886 N/A ALA 190.A N SER 188.A OG no hydrogen 2.934 N/A MET 191.A N SER 188.A O no hydrogen 3.147 N/A ASP 192.A N THR 189.A O no hydrogen 2.942 N/A LYS 193.A N ALA 190.A O no hydrogen 3.154 N/A LYS 193.A NZ GLU 126.A OE2 no hydrogen 2.597 N/A TRP 194.A NE1 PRO 177.A O no hydrogen 2.706 N/A GLY 195.A N MET 191.A O no hydrogen 3.032 N/A PHE 196.A N ASP 192.A O no hydrogen 2.872 N/A GLY 197.A N LYS 193.A O no hydrogen 2.985 N/A ALA 198.A N TRP 194.A O no hydrogen 2.913 N/A THR 199.A N GLY 195.A O no hydrogen 2.870 N/A THR 199.A OG1 GLY 195.A O no hydrogen 2.691 N/A LEU 200.A N PHE 196.A O no hydrogen 2.828 N/A LEU 201.A N GLY 197.A O no hydrogen 3.173 N/A GLU 202.A N ALA 198.A O no hydrogen 2.933 N/A ILE 203.A N THR 199.A O no hydrogen 2.810 N/A CYS 204.A N LEU 200.A O no hydrogen 2.820 N/A CYS 204.A SG LEU 200.A O no hydrogen 3.303 N/A PHE 205.A N LEU 201.A O no hydrogen 2.874 N/A ASP 206.A N ILE 203.A O no hydrogen 3.051 N/A GLY 207.A N GLU 202.A O no hydrogen 2.803 N/A GLU 208.A N PHE 205.A O no hydrogen 3.120 N/A GLN 212.A NE2 ILE 176.A O no hydrogen 2.748 N/A ARG 214.A N LEU 211.A O no hydrogen 2.893 N/A SER 215.A N GLU 218.A OE1.B no hydrogen 2.899 N/A SER 215.A OG SER 217.A OG.A no hydrogen 2.993 N/A SER 215.A OG GLU 218.A OE1.B no hydrogen 3.149 N/A SER 217.A OG.A SER 215.A OG no hydrogen 2.993 N/A GLU 218.A N.B SER 215.A OG no hydrogen 3.394 N/A LYS 219.A N SER 215.A O no hydrogen 2.978 N/A LYS 219.A NZ ILE 176.A O no hydrogen 2.981 N/A GLU 220.A N PRO 216.A O no hydrogen 3.000 N/A HIS 221.A N SER 217.A O.A no hydrogen 2.906 N/A HIS 221.A N SER 217.A O.B no hydrogen 2.764 N/A PHE 222.A N GLU 218.A O.A no hydrogen 3.080 N/A PHE 222.A N GLU 218.A O.B no hydrogen 3.012 N/A TYR 223.A N LYS 219.A O no hydrogen 3.441 N/A TYR 223.A OH LEU 179.A O no hydrogen 2.524 N/A GLN 224.A N GLU 220.A O no hydrogen 2.936 N/A ARG 225.A N HIS 221.A O no hydrogen 2.837 N/A GLN 226.A N TYR 223.A O no hydrogen 2.987 N/A HIS 227.A N PHE 222.A O no hydrogen 2.998 N/A ARG 228.A NH2 LEU 245.A O no hydrogen 3.019 N/A LEU 237.A N CYS 234.A O no hydrogen 3.067 N/A ALA 238.A N CYS 234.A O no hydrogen 2.950 N/A THR 239.A N PRO 235.A O no hydrogen 2.988 N/A THR 239.A OG1 PRO 235.A O no hydrogen 3.095 N/A THR 241.A N LEU 237.A O no hydrogen 2.876 N/A THR 241.A OG1 LEU 237.A O no hydrogen 3.256 N/A THR 241.A OG1 ALA 238.A O no hydrogen 3.023 N/A SER 242.A N ALA 238.A O no hydrogen 2.841 N/A SER 242.A OG GLU 231.A OE1 no hydrogen 2.639 N/A SER 242.A OG ALA 238.A O no hydrogen 3.143 N/A GLN 243.A N THR 239.A O no hydrogen 3.136 N/A CYS 244.A N LEU 240.A O no hydrogen 3.110 N/A CYS 244.A SG LEU 240.A O no hydrogen 3.430 N/A LEU 245.A N THR 241.A O no hydrogen 2.894 N/A THR 246.A OG1 SER 242.A O no hydrogen 3.075 N/A THR 246.A OG1 GLN 243.A O no hydrogen 3.037 N/A TYR 247.A OH HIS 227.A O no hydrogen 2.552 N/A THR 250.A N GLU 248.A OE2 no hydrogen 3.079 N/A THR 250.A OG1 GLU 248.A OE2 no hydrogen 2.436 N/A GLN 251.A N GLU 248.A O no hydrogen 3.140 N/A ARG 252.A N PRO 249.A O no hydrogen 3.238 N/A ARG 252.A NE THR 246.A O no hydrogen 2.856 N/A ARG 252.A NH1 GLU 182.A OE1 no hydrogen 3.428 N/A ARG 252.A NH1 GLU 182.A OE2 no hydrogen 2.792 N/A ARG 252.A NH1 ALA 190.A O no hydrogen 2.878 N/A ARG 252.A NH2 GLU 182.A OE1 no hydrogen 2.720 N/A ARG 252.A NH2 THR 246.A O no hydrogen 3.173 N/A SER 254.A OG THR 257.A OG1 no hydrogen 3.144 N/A PHE 255.A N GLU 126.A OE2 no hydrogen 3.036 N/A THR 257.A N SER 254.A OG no hydrogen 3.235 N/A THR 257.A OG1 SER 254.A OG no hydrogen 3.144 N/A ILE 258.A N SER 254.A O no hydrogen 2.967 N/A LEU 259.A N PHE 255.A O no hydrogen 2.812 N/A ARG 260.A N ARG 256.A O no hydrogen 3.016 N/A ASP 261.A N THR 257.A O no hydrogen 2.853 N/A LEU 262.A N ILE 258.A O no hydrogen 2.953 N/A THR 263.A N LEU 259.A O no hydrogen 3.011 N/A THR 263.A N ARG 260.A O no hydrogen 3.274 N/A THR 263.A OG1 LEU 259.A O no hydrogen 2.829 N/A THR 263.A OG1 ARG 260.A O no hydrogen 3.031 N/A