Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8s98_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A N SER 58.A OG no hydrogen 3.184 N/A VAL 7.A N VAL 74.A O no hydrogen 2.751 N/A ASP 8.A N GLU 11.A OE1 no hydrogen 2.897 N/A LYS 10.A N ASP 8.A OD2 no hydrogen 3.001 N/A GLU 11.A N ASP 8.A O no hydrogen 2.997 N/A ILE 12.A N GLN 9.A O no hydrogen 3.196 N/A THR 13.A N ARG 30.A O no hydrogen 3.019 N/A LEU 15.A N GLU 28.A O no hydrogen 2.797 N/A HIS 17.A NE2 ASN 25.A OD1 no hydrogen 2.797 N/A LEU 18.A N VAL 26.A O no hydrogen 2.730 N/A GLY 19.A N VAL 26.A O no hydrogen 3.413 N/A GLY 21.A N THR 24.A O no hydrogen 3.039 N/A ARG 23.A NE GLU 169.A OE1 no hydrogen 2.841 N/A ARG 23.A NH2 GLU 169.A OE2 no hydrogen 2.929 N/A THR 24.A N GLY 21.A O no hydrogen 3.318 N/A ASN 25.A N VAL 41.A O no hydrogen 3.091 N/A VAL 26.A N GLY 19.A O no hydrogen 2.819 N/A TYR 27.A N LEU 39.A O no hydrogen 2.912 N/A GLU 28.A N SER 16.A O no hydrogen 2.830 N/A GLY 29.A N VAL 37.A O no hydrogen 2.856 N/A ARG 30.A N THR 13.A O no hydrogen 2.984 N/A ARG 30.A NH1 GLU 28.A OE2 no hydrogen 2.968 N/A ARG 30.A NH1 GLY 29.A O no hydrogen 2.945 N/A LEU 31.A N LEU 35.A O no hydrogen 2.803 N/A ARG 32.A N GLU 11.A O no hydrogen 2.850 N/A LEU 35.A N LEU 31.A O no hydrogen 2.748 N/A ARG 36.A NE GLU 28.A OE2 no hydrogen 2.964 N/A VAL 37.A N GLY 29.A O no hydrogen 3.126 N/A VAL 38.A N THR 85.A O no hydrogen 2.810 N/A LEU 39.A N TYR 27.A O no hydrogen 2.890 N/A LYS 40.A N MET 83.A O no hydrogen 2.828 N/A LYS 40.A NZ ASP 157.A OD1 no hydrogen 2.738 N/A VAL 41.A N ASN 25.A O no hydrogen 2.869 N/A LEU 42.A N ASN 81.A O no hydrogen 2.786 N/A ASP 43.A N ARG 23.A O no hydrogen 2.831 N/A SER 45.A OG ASP 43.A O no hydrogen 2.725 N/A HIS 47.A ND1 ASP 48.A OD1 no hydrogen 3.000 N/A ASP 48.A N HIS 46.A ND1 no hydrogen 3.151 N/A ILE 49.A N HIS 46.A O no hydrogen 3.103 N/A ALA 50.A N HIS 46.A O no hydrogen 3.252 N/A LEU 51.A N HIS 47.A O no hydrogen 2.716 N/A ALA 52.A N ASP 48.A O no hydrogen 3.283 N/A PHE 53.A N ILE 49.A O no hydrogen 2.925 N/A TYR 54.A N ALA 50.A O no hydrogen 2.911 N/A TYR 54.A OH ASN 81.A OD1 no hydrogen 2.521 N/A GLU 55.A N LEU 51.A O no hydrogen 2.773 N/A THR 56.A N ALA 52.A O no hydrogen 3.060 N/A THR 56.A OG1 ALA 52.A O no hydrogen 3.490 N/A THR 56.A OG1 GLY 159.A O no hydrogen 2.574 N/A ALA 57.A N PHE 53.A O no hydrogen 3.046 N/A SER 58.A N TYR 54.A O no hydrogen 2.858 N/A LEU 59.A N GLU 55.A O no hydrogen 2.911 N/A MET 60.A N THR 56.A O no hydrogen 2.987 N/A SER 61.A N ALA 57.A O no hydrogen 2.795 N/A SER 61.A OG ALA 57.A O no hydrogen 2.709 N/A GLN 62.A N LEU 59.A O no hydrogen 3.012 N/A GLN 62.A NE2 SER 3.A O no hydrogen 3.658 N/A GLN 62.A NE2 SER 58.A O no hydrogen 3.044 N/A SER 64.A N TYR 122.A OH no hydrogen 3.019 N/A HIS 67.A N HIS 65.A ND1 no hydrogen 3.018 N/A HIS 67.A ND1 ILE 153.A O no hydrogen 2.816 N/A LEU 68.A N HIS 65.A O no hydrogen 2.856 N/A ALA 69.A N LEU 155.A O no hydrogen 2.893 N/A PHE 70.A N GLU 86.A OE1 no hydrogen 2.982 N/A HIS 72.A N VAL 84.A O no hydrogen 2.716 N/A GLY 73.A N VAL 84.A O no hydrogen 3.376 N/A VAL 74.A N HIS 5.A O no hydrogen 2.899 N/A CYS 75.A N ILE 82.A O no hydrogen 2.785 N/A CYS 75.A SG VAL 7.A O no hydrogen 3.282 N/A ARG 77.A N GLU 80.A O no hydrogen 2.860 N/A ARG 77.A NE GLU 80.A OE2 no hydrogen 3.391 N/A ARG 77.A NH1 GLN 14.A OE1 no hydrogen 2.775 N/A ARG 77.A NH2 GLN 14.A OE1 no hydrogen 2.813 N/A ARG 77.A NH2 GLU 80.A OE2 no hydrogen 2.867 N/A GLU 80.A N ARG 77.A O no hydrogen 2.911 N/A ILE 82.A N CYS 75.A O no hydrogen 2.832 N/A MET 83.A N LYS 40.A O no hydrogen 2.911 N/A VAL 84.A N GLY 73.A O no hydrogen 2.869 N/A THR 85.A N VAL 38.A O no hydrogen 2.922 N/A GLU 86.A N PHE 70.A O no hydrogen 2.938 N/A HIS 90.A N LEU 140.A O no hydrogen 2.792 N/A GLY 91.A N VAL 88.A O no hydrogen 3.349 N/A LEU 93.A N GLY 135.A O no hydrogen 3.241 N/A LEU 93.A N ILE 138.A O.A no hydrogen 2.764 N/A LEU 93.A N ILE 138.A O.B no hydrogen 2.757 N/A ASP 94.A N GLY 135.A O no hydrogen 3.321 N/A TRP 96.A N PRO 92.A O no hydrogen 3.358 N/A LEU 97.A N LEU 93.A O no hydrogen 2.818 N/A ARG 98.A N ASP 94.A O no hydrogen 3.161 N/A ARG 98.A NH1 ASP 94.A OD2 no hydrogen 3.217 N/A ARG 98.A NH1 GLY 203.A O no hydrogen 3.198 N/A ARG 98.A NH2 ASP 94.A OD2 no hydrogen 3.258 N/A ARG 99.A N VAL 95.A O no hydrogen 3.105 N/A GLU 100.A N TRP 96.A O no hydrogen 3.003 N/A GLU 100.A N LEU 97.A O no hydrogen 3.212 N/A GLY 102.A N ASP 202.A OD2 no hydrogen 2.864 N/A HIS 103.A N GLU 100.A O no hydrogen 3.229 N/A HIS 103.A NE2 GLU 100.A OE1 no hydrogen 2.878 N/A TRP 108.A NE1 LEU 143.A O no hydrogen 2.755 N/A LYS 109.A N PRO 105.A O no hydrogen 3.154 N/A LYS 109.A NZ ASP 202.A OD1 no hydrogen 2.737 N/A MET 110.A N MET 106.A O no hydrogen 2.863 N/A VAL 111.A N ALA 107.A O no hydrogen 3.162 N/A VAL 112.A N TRP 108.A O no hydrogen 3.179 N/A ALA 113.A N LYS 109.A O no hydrogen 2.947 N/A GLN 114.A N MET 110.A O no hydrogen 3.004 N/A GLN 114.A NE2 MET 110.A O no hydrogen 3.558 N/A GLN 115.A N VAL 111.A O no hydrogen 3.128 N/A GLN 115.A NE2 PRO 151.A O no hydrogen 2.894 N/A LEU 116.A N VAL 112.A O no hydrogen 2.914 N/A ALA 117.A N ALA 113.A O no hydrogen 2.873 N/A SER 118.A N GLN 114.A O no hydrogen 2.853 N/A SER 118.A OG GLN 115.A O no hydrogen 2.823 N/A ALA 119.A N GLN 115.A O no hydrogen 2.971 N/A LEU 120.A N LEU 116.A O no hydrogen 2.961 N/A SER 121.A N ALA 117.A O no hydrogen 2.726 N/A TYR 122.A N SER 118.A O no hydrogen 3.302 N/A LEU 123.A N ALA 119.A O no hydrogen 3.144 N/A GLU 124.A N LEU 120.A O no hydrogen 2.816 N/A ASN 125.A N SER 121.A O no hydrogen 2.900 N/A LYS 126.A N TYR 122.A O no hydrogen 3.087 N/A ASN 127.A N GLU 124.A O no hydrogen 2.859 N/A LEU 128.A N LEU 123.A O no hydrogen 2.943 N/A HIS 130.A N ASP 189.A OD2 no hydrogen 2.756 N/A HIS 130.A NE2 SER 156.A O no hydrogen 2.723 N/A GLY 131.A N ASP 189.A OD1 no hydrogen 2.858 N/A ASN 132.A N HIS 130.A ND1 no hydrogen 3.120 N/A ASN 132.A ND2 PRO 158.A O no hydrogen 2.978 N/A CYS 134.A SG ASN 132.A O no hydrogen 3.736 N/A CYS 134.A SG ASN 132.A OD1 no hydrogen 3.962 N/A GLY 135.A N GLU 199.A OE1 no hydrogen 2.736 N/A ARG 136.A NE ASP 94.A OD1 no hydrogen 3.051 N/A ARG 136.A NH2 ASP 94.A OD2 no hydrogen 2.901 N/A ASN 137.A N CYS 134.A O no hydrogen 3.003 N/A ASN 137.A ND2 ASN 132.A O no hydrogen 2.754 N/A ILE 138.A N.A GLY 135.A O no hydrogen 3.186 N/A ILE 138.A N.B GLY 135.A O no hydrogen 3.172 N/A LEU 139.A N LYS 154.A O no hydrogen 2.800 N/A LEU 140.A N GLY 91.A O no hydrogen 2.909 N/A ALA 141.A N PHE 152.A O no hydrogen 2.730 N/A ARG 142.A N PHE 152.A O no hydrogen 3.181 N/A ARG 142.A NE SER 150.A O no hydrogen 2.707 N/A ARG 142.A NH2 SER 150.A O no hydrogen 3.017 N/A THR 149.A N ALA 146.A O no hydrogen 3.162 N/A THR 149.A OG1 ALA 146.A O no hydrogen 2.796 N/A PHE 152.A N ARG 142.A O no hydrogen 3.190 N/A ILE 153.A N GLN 115.A OE1 no hydrogen 3.035 N/A LYS 154.A N LEU 139.A O no hydrogen 2.812 N/A LYS 154.A NZ THR 66.A O no hydrogen 2.794 N/A LEU 155.A N HIS 67.A O no hydrogen 2.692 N/A SER 156.A N ASN 137.A O no hydrogen 2.695 N/A SER 156.A OG ASP 157.A O no hydrogen 2.714 N/A GLY 159.A N ASP 157.A OD2 no hydrogen 3.122 N/A ALA 164.A N GLY 161.A O no hydrogen 3.043 N/A LEU 165.A N LEU 162.A O no hydrogen 3.173 N/A SER 166.A N GLU 169.A OE2 no hydrogen 2.824 N/A SER 166.A OG GLU 168.A OE1 no hydrogen 3.486 N/A SER 166.A OG GLU 169.A OE2 no hydrogen 3.061 N/A ARG 167.A NH2 GLU 216.A OE1 no hydrogen 2.767 N/A GLU 169.A N SER 166.A OG no hydrogen 3.106 N/A ARG 170.A N SER 166.A O no hydrogen 2.914 N/A ARG 170.A NE LEU 182.A O no hydrogen 3.185 N/A ARG 170.A NH2 LEU 182.A O no hydrogen 3.036 N/A VAL 171.A N ARG 167.A O no hydrogen 2.894 N/A GLU 172.A N GLU 168.A O no hydrogen 2.950 N/A ARG 173.A N GLU 169.A O no hydrogen 3.225 N/A ARG 173.A N ARG 170.A O no hydrogen 3.004 N/A ARG 173.A NH2 THR 22.A OG1 no hydrogen 2.980 N/A ILE 174.A N VAL 171.A O no hydrogen 2.940 N/A TRP 176.A NE1 GLU 199.A OE1 no hydrogen 2.840 N/A LEU 177.A N ARG 173.A O no hydrogen 2.826 N/A GLU 180.A N GLU 180.A OE1 no hydrogen 2.731 N/A CYS 181.A N ALA 178.A O no hydrogen 2.844 N/A LEU 182.A N PRO 179.A O no hydrogen 3.140 N/A ALA 187.A N SER 185.A OG no hydrogen 3.100 N/A MET 188.A N SER 185.A O no hydrogen 3.297 N/A ASP 189.A N THR 186.A O no hydrogen 2.878 N/A LYS 190.A N ALA 187.A O no hydrogen 3.078 N/A LYS 190.A NZ GLU 124.A OE2 no hydrogen 2.736 N/A TRP 191.A NE1 PRO 175.A O no hydrogen 2.741 N/A GLY 192.A N MET 188.A O no hydrogen 2.921 N/A PHE 193.A N ASP 189.A O no hydrogen 2.965 N/A GLY 194.A N LYS 190.A O no hydrogen 3.006 N/A ALA 195.A N TRP 191.A O no hydrogen 3.018 N/A THR 196.A N GLY 192.A O no hydrogen 2.895 N/A THR 196.A OG1 GLY 192.A O no hydrogen 2.676 N/A LEU 197.A N PHE 193.A O no hydrogen 2.834 N/A LEU 198.A N GLY 194.A O no hydrogen 3.071 N/A GLU 199.A N ALA 195.A O no hydrogen 2.957 N/A ILE 200.A N THR 196.A O no hydrogen 2.888 N/A ASP 202.A N ILE 200.A O no hydrogen 3.047 N/A GLY 203.A N GLU 199.A O no hydrogen 2.805 N/A GLU 204.A N PHE 201.A O no hydrogen 3.184 N/A GLN 208.A N ALA 205.A O no hydrogen 3.423 N/A ARG 210.A N LEU 207.A O no hydrogen 3.089 N/A SER 211.A N GLU 214.A OE1 no hydrogen 2.841 N/A SER 211.A OG SER 213.A OG no hydrogen 3.237 N/A SER 213.A OG SER 211.A OG no hydrogen 3.237 N/A GLU 214.A N SER 211.A OG no hydrogen 3.138 N/A LYS 215.A N SER 211.A O no hydrogen 2.915 N/A LYS 215.A NZ ILE 174.A O no hydrogen 3.011 N/A GLU 216.A N PRO 212.A O no hydrogen 2.944 N/A HIS 217.A N SER 213.A O no hydrogen 2.796 N/A PHE 218.A N GLU 214.A O no hydrogen 3.025 N/A TYR 219.A N LYS 215.A O no hydrogen 3.348 N/A TYR 219.A OH LEU 177.A O no hydrogen 2.646 N/A GLN 220.A N GLU 216.A O no hydrogen 2.878 N/A ARG 221.A N HIS 217.A O no hydrogen 3.096 N/A GLN 222.A N TYR 219.A O no hydrogen 3.009 N/A HIS 223.A N PHE 218.A O no hydrogen 3.079 N/A ARG 224.A NH2 SER 234.A O no hydrogen 3.446 N/A ARG 224.A NH2 LEU 237.A O no hydrogen 2.843 N/A THR 233.A N LEU 229.A O no hydrogen 2.646 N/A THR 233.A OG1 LEU 229.A O no hydrogen 3.427 N/A THR 233.A OG1 ALA 230.A O no hydrogen 3.220 N/A SER 234.A N ALA 230.A O no hydrogen 2.998 N/A SER 234.A OG ALA 230.A O no hydrogen 3.547 N/A GLN 235.A N THR 231.A O no hydrogen 3.050 N/A CYS 236.A N LEU 232.A O no hydrogen 3.031 N/A CYS 236.A SG LEU 232.A O no hydrogen 3.518 N/A LEU 237.A N THR 233.A O no hydrogen 2.742 N/A THR 238.A OG1 SER 234.A O no hydrogen 3.037 N/A THR 238.A OG1 GLN 235.A O no hydrogen 2.921 N/A TYR 239.A OH HIS 223.A O no hydrogen 2.585 N/A THR 242.A N GLU 240.A OE2 no hydrogen 3.142 N/A THR 242.A OG1 GLU 240.A OE2 no hydrogen 2.737 N/A GLN 243.A N GLU 240.A O no hydrogen 3.181 N/A ARG 244.A N PRO 241.A O no hydrogen 3.148 N/A ARG 244.A NE THR 238.A O no hydrogen 2.848 N/A ARG 244.A NH1 GLU 180.A OE2 no hydrogen 2.906 N/A ARG 244.A NH1 ALA 187.A O no hydrogen 2.930 N/A ARG 244.A NH2 GLU 180.A OE1 no hydrogen 2.817 N/A ARG 244.A NH2 GLU 180.A OE2 no hydrogen 3.534 N/A ARG 244.A NH2 THR 238.A O no hydrogen 3.199 N/A SER 246.A OG THR 249.A OG1 no hydrogen 3.163 N/A PHE 247.A N GLU 124.A OE2 no hydrogen 2.846 N/A THR 249.A N SER 246.A OG no hydrogen 3.025 N/A THR 249.A OG1 SER 246.A OG no hydrogen 3.163 N/A ILE 250.A N SER 246.A O no hydrogen 2.890 N/A LEU 251.A N PHE 247.A O no hydrogen 2.779 N/A ARG 252.A N ARG 248.A O no hydrogen 3.125 N/A ASP 253.A N THR 249.A O no hydrogen 2.899 N/A LEU 254.A N ILE 250.A O no hydrogen 3.009 N/A LEU 254.A N LEU 251.A O no hydrogen 3.153 N/A THR 255.A N ARG 252.A O no hydrogen 3.183 N/A THR 255.A OG1 LEU 251.A O no hydrogen 3.255 N/A THR 255.A OG1 ARG 252.A O no hydrogen 3.098 N/A