Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6aua_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N VAL 70.A O no hydrogen 2.832 N/A LYS 7.A N ASP 5.A OD1 no hydrogen 3.123 N/A ASP 8.A N ASP 5.A O no hydrogen 2.833 N/A LEU 9.A N PRO 6.A O no hydrogen 3.132 N/A THR 10.A N LYS 27.A O no hydrogen 2.923 N/A LEU 12.A N TYR 25.A O no hydrogen 2.831 N/A LYS 13.A N TYR 25.A O no hydrogen 3.091 N/A LEU 15.A N VAL 23.A O no hydrogen 2.950 N/A GLY 18.A N GLY 21.A O no hydrogen 2.848 N/A GLN 19.A NE2 ASP 155.A OD2 no hydrogen 2.915 N/A GLY 21.A N GLY 18.A O no hydrogen 2.919 N/A VAL 23.A N GLY 16.A O no hydrogen 2.915 N/A LYS 24.A N ILE 36.A O no hydrogen 2.932 N/A LYS 24.A NZ GLU 14.A OE1 no hydrogen 2.685 N/A LYS 24.A NZ GLU 14.A OE2 no hydrogen 2.916 N/A TYR 25.A N LYS 13.A O no hydrogen 2.796 N/A TYR 25.A OH ASP 33.A OD2 no hydrogen 2.710 N/A GLY 26.A N VAL 34.A O no hydrogen 2.962 N/A LYS 27.A N THR 10.A O no hydrogen 2.975 N/A LYS 27.A NZ GLN 31.A O no hydrogen 3.068 N/A LYS 27.A NZ ASP 33.A OD2 no hydrogen 2.672 N/A TRP 28.A N TYR 32.A O no hydrogen 2.901 N/A ARG 29.A N ASP 8.A O no hydrogen 2.797 N/A ARG 29.A NE ASP 8.A OD1 no hydrogen 2.981 N/A ARG 29.A NH2 ASP 8.A OD1 no hydrogen 3.200 N/A GLN 31.A N TRP 28.A O no hydrogen 3.139 N/A TYR 32.A N TRP 28.A O no hydrogen 3.171 N/A VAL 34.A N GLY 26.A O no hydrogen 2.922 N/A ALA 35.A N THR 81.A O no hydrogen 2.937 N/A ILE 36.A N LYS 24.A O no hydrogen 2.815 N/A LYS 37.A N ILE 79.A O no hydrogen 2.864 N/A LYS 37.A NZ ASP 146.A OD1 no hydrogen 3.234 N/A LYS 37.A NZ ASP 146.A OD2 no hydrogen 2.815 N/A MET 38.A N VAL 22.A O no hydrogen 2.937 N/A ILE 39.A N ILE 77.A O no hydrogen 2.942 N/A LYS 40.A N PHE 20.A O no hydrogen 2.887 N/A SER 43.A N LYS 40.A O no hydrogen 2.951 N/A SER 43.A OG LYS 40.A O no hydrogen 2.784 N/A SER 45.A N TYR 152.A O no hydrogen 2.931 N/A SER 45.A OG GLU 48.A OE1 no hydrogen 2.726 N/A PHE 49.A N SER 45.A O no hydrogen 2.970 N/A ILE 50.A N GLU 46.A O no hydrogen 2.876 N/A GLU 51.A N ASP 47.A O no hydrogen 3.004 N/A GLU 52.A N PHE 49.A O no hydrogen 2.990 N/A ALA 53.A N ILE 50.A O no hydrogen 3.511 N/A MET 57.A N ALA 53.A O no hydrogen 3.121 N/A ASN 58.A N LYS 54.A O no hydrogen 3.058 N/A LEU 59.A N MET 56.A O no hydrogen 3.189 N/A SER 60.A N TYR 118.A OH no hydrogen 3.032 N/A SER 60.A OG ASN 58.A O no hydrogen 3.524 N/A HIS 61.A N GLN 66.A OE1 no hydrogen 3.240 N/A LYS 63.A N HIS 61.A ND1 no hydrogen 2.912 N/A LYS 63.A NZ ASP 111.A OD2 no hydrogen 2.827 N/A LYS 63.A NZ GLU 114.A OE2 no hydrogen 2.774 N/A LEU 64.A N HIS 61.A O no hydrogen 3.083 N/A VAL 65.A N VAL 144.A O no hydrogen 2.863 N/A GLN 66.A N GLU 82.A OE2 no hydrogen 3.062 N/A GLN 66.A NE2 LEU 59.A O no hydrogen 2.954 N/A TYR 68.A N ILE 80.A O no hydrogen 2.813 N/A GLY 69.A N ILE 80.A O no hydrogen 3.388 N/A VAL 70.A N TRP 2.A O no hydrogen 2.958 N/A CYS 71.A N PHE 78.A O no hydrogen 3.058 N/A CYS 71.A SG ILE 4.A O no hydrogen 3.365 N/A THR 72.A N GLU 3.A OE2 no hydrogen 2.591 N/A THR 72.A OG1 GLU 3.A OE1 no hydrogen 2.914 N/A THR 72.A OG1 GLU 3.A OE2 no hydrogen 3.383 N/A GLN 74.A NE2 CYS 71.A O no hydrogen 3.463 N/A ARG 75.A NE GLU 46.A OE1 no hydrogen 2.628 N/A ARG 75.A NH1 THR 72.A O no hydrogen 3.109 N/A ARG 75.A NH1 GLN 74.A O no hydrogen 3.035 N/A PHE 78.A N CYS 71.A O no hydrogen 3.003 N/A ILE 79.A N LYS 37.A O no hydrogen 3.005 N/A ILE 80.A N GLY 69.A O no hydrogen 2.937 N/A THR 81.A N ALA 35.A O no hydrogen 2.917 N/A THR 81.A OG1 ALA 35.A O no hydrogen 3.455 N/A GLU 82.A N GLN 66.A O no hydrogen 2.943 N/A ASN 86.A N VAL 136.A O no hydrogen 2.881 N/A ASN 86.A ND2 ASN 137.A O no hydrogen 3.026 N/A GLY 87.A N MET 84.A O no hydrogen 3.200 N/A LEU 89.A N CYS 134.A O no hydrogen 2.820 N/A TYR 92.A N CYS 88.A O no hydrogen 3.053 N/A LEU 93.A N LEU 89.A O no hydrogen 2.854 N/A ARG 94.A N LEU 90.A O no hydrogen 3.172 N/A ARG 94.A NH1 GLY 201.A O no hydrogen 2.995 N/A GLU 95.A N ASN 91.A O no hydrogen 2.886 N/A ARG 97.A NE LEU 200.A O no hydrogen 2.791 N/A ARG 97.A NH1 LEU 200.A O no hydrogen 3.130 N/A ARG 99.A N MET 96.A O no hydrogen 2.913 N/A GLN 101.A N GLN 104.A OE1 no hydrogen 2.861 N/A GLN 104.A N GLN 101.A O no hydrogen 2.952 N/A LEU 105.A N GLN 101.A O no hydrogen 3.264 N/A LEU 106.A N THR 102.A O no hydrogen 3.083 N/A GLU 107.A N GLN 103.A O no hydrogen 3.088 N/A MET 108.A N GLN 104.A O no hydrogen 3.040 N/A CYS 109.A N LEU 105.A O no hydrogen 3.168 N/A CYS 109.A SG LEU 105.A O no hydrogen 3.568 N/A LYS 110.A N LEU 106.A O no hydrogen 2.889 N/A LYS 110.A NZ GLU 114.A OE1 no hydrogen 3.038 N/A ASP 111.A N GLU 107.A O no hydrogen 2.887 N/A VAL 112.A N MET 108.A O no hydrogen 3.165 N/A CYS 113.A N CYS 109.A O no hydrogen 2.859 N/A CYS 113.A SG PHE 251.A O no hydrogen 3.644 N/A GLU 114.A N LYS 110.A O no hydrogen 2.876 N/A ALA 115.A N ASP 111.A O no hydrogen 3.264 N/A MET 116.A N VAL 112.A O no hydrogen 2.943 N/A GLU 117.A N CYS 113.A O no hydrogen 2.850 N/A TYR 118.A N GLU 114.A O no hydrogen 3.119 N/A LEU 119.A N ALA 115.A O no hydrogen 2.993 N/A GLU 120.A N MET 116.A O no hydrogen 2.807 N/A SER 121.A N GLU 117.A O no hydrogen 2.993 N/A SER 121.A OG TYR 118.A O no hydrogen 2.726 N/A LYS 122.A N TYR 118.A O no hydrogen 3.176 N/A LYS 122.A N LEU 119.A O no hydrogen 2.970 N/A GLN 123.A N GLU 120.A O no hydrogen 2.987 N/A GLN 123.A NE2 SER 121.A O no hydrogen 3.159 N/A PHE 124.A N LEU 119.A O no hydrogen 2.983 N/A HIS 126.A N ASP 186.A OD2 no hydrogen 2.810 N/A HIS 126.A NE2 SER 145.A O no hydrogen 2.936 N/A ARG 127.A N ASP 186.A OD1 no hydrogen 3.050 N/A ASP 128.A N HIS 126.A ND1 no hydrogen 3.020 N/A ALA 131.A N GLU 196.A OE2 no hydrogen 2.839 N/A ARG 132.A NH1 ASP 128.A OD1 no hydrogen 2.934 N/A ASN 133.A N ALA 130.A O no hydrogen 2.918 N/A ASN 133.A ND2 ASP 128.A O no hydrogen 2.850 N/A CYS 134.A N ALA 131.A O no hydrogen 3.200 N/A CYS 134.A SG ALA 130.A O no hydrogen 3.642 N/A LEU 135.A N LYS 143.A O no hydrogen 2.875 N/A VAL 136.A N GLY 87.A O no hydrogen 2.834 N/A ASN 137.A N VAL 141.A O no hydrogen 3.029 N/A GLN 139.A N ASN 137.A OD1 no hydrogen 3.014 N/A GLY 140.A N ASN 137.A O no hydrogen 3.065 N/A VAL 141.A N ASN 137.A OD1 no hydrogen 3.014 N/A VAL 142.A N ASP 111.A OD1 no hydrogen 3.089 N/A LYS 143.A N LEU 135.A O no hydrogen 2.851 N/A LYS 143.A NZ GLU 62.A O no hydrogen 2.866 N/A LYS 143.A NZ GLU 62.A OE2 no hydrogen 3.276 N/A LYS 143.A NZ GLU 82.A OE1 no hydrogen 2.771 N/A VAL 144.A N LYS 63.A O no hydrogen 2.934 N/A SER 145.A N ASN 133.A O no hydrogen 2.945 N/A GLY 148.A N HIS 126.A O no hydrogen 3.158 N/A LEU 149.A N ASP 146.A O no hydrogen 3.265 N/A SER 150.A OG.B TYR 158.A OH no hydrogen 2.596 N/A TYR 152.A N LEU 149.A O no hydrogen 2.959 N/A TYR 152.A OH GLU 52.A OE1 no hydrogen 2.458 N/A VAL 153.A N SER 150.A O no hydrogen 3.289 N/A LEU 154.A N SER 43.A O no hydrogen 3.043 N/A GLU 157.A N ASP 155.A OD1 no hydrogen 2.955 N/A TYR 158.A N ASP 155.A O no hydrogen 2.871 N/A TYR 158.A OH ASP 128.A OD2 no hydrogen 2.624 N/A TYR 158.A OH SER 150.A OG.B no hydrogen 2.596 N/A THR 159.A N ASP 155.A O no hydrogen 2.984 N/A THR 159.A OG1 ASP 155.A O no hydrogen 3.433 N/A SER 160.A N ASP 156.A O no hydrogen 3.133 N/A VAL 162.A N SER 160.A OG no hydrogen 3.158 N/A GLY 163.A N SER 160.A O no hydrogen 2.875 N/A SER 164.A N GLU 157.A OE1 no hydrogen 2.798 N/A SER 164.A OG.B GLU 157.A OE1 no hydrogen 2.715 N/A LYS 165.A N GLU 157.A O no hydrogen 2.875 N/A LYS 165.A NZ ASP 155.A OD2 no hydrogen 2.688 N/A PHE 166.A N GLY 163.A O no hydrogen 3.457 N/A VAL 168.A N PHE 166.A O no hydrogen 2.744 N/A ARG 169.A NH1 PHE 208.A O no hydrogen 2.794 N/A ARG 169.A NH1 ASN 210.A OD1 no hydrogen 3.437 N/A ARG 169.A NH2 PRO 204.A O no hydrogen 3.093 N/A ARG 169.A NH2 TYR 205.A O no hydrogen 2.935 N/A ARG 169.A NH2 PHE 208.A O no hydrogen 3.177 N/A TRP 170.A N PRO 167.A O no hydrogen 3.057 N/A TRP 170.A NE1 GLU 196.A OE2 no hydrogen 2.903 N/A SER 171.A N VAL 168.A O no hydrogen 3.032 N/A SER 171.A OG PRO 167.A O no hydrogen 2.791 N/A GLU 174.A N GLU 174.A OE1 no hydrogen 2.817 N/A VAL 175.A N PRO 172.A O no hydrogen 3.070 N/A LEU 176.A N PRO 172.A O no hydrogen 3.190 N/A MET 177.A N PRO 173.A O no hydrogen 2.840 N/A TYR 178.A N GLU 174.A O no hydrogen 3.024 N/A SER 179.A N VAL 175.A O no hydrogen 2.962 N/A LYS 180.A N GLU 174.A O no hydrogen 3.191 N/A SER 182.A N SER 185.A OG no hydrogen 2.965 N/A LYS 184.A N SER 182.A OG no hydrogen 3.026 N/A LYS 184.A NZ ARG 248.A O no hydrogen 3.007 N/A LYS 184.A NZ PRO 249.A O no hydrogen 3.019 N/A SER 185.A N SER 182.A O no hydrogen 3.019 N/A SER 185.A OG SER 182.A O no hydrogen 2.834 N/A ASP 186.A N SER 182.A O no hydrogen 3.306 N/A ILE 187.A N SER 183.A O no hydrogen 2.945 N/A TRP 188.A N LYS 184.A O no hydrogen 3.217 N/A ALA 189.A N SER 185.A O no hydrogen 3.173 N/A PHE 190.A N ASP 186.A O no hydrogen 2.880 N/A GLY 191.A N ILE 187.A O no hydrogen 3.087 N/A VAL 192.A N TRP 188.A O no hydrogen 3.199 N/A LEU 193.A N ALA 189.A O no hydrogen 2.869 N/A MET 194.A N PHE 190.A O no hydrogen 2.826 N/A TRP 195.A N GLY 191.A O no hydrogen 3.071 N/A TRP 195.A NE1 TYR 224.A O no hydrogen 2.864 N/A GLU 196.A N VAL 192.A O no hydrogen 2.825 N/A ILE 197.A N LEU 193.A O no hydrogen 2.883 N/A TYR 198.A N MET 194.A O no hydrogen 2.961 N/A SER 199.A N TRP 195.A O no hydrogen 2.913 N/A SER 199.A OG TRP 195.A O no hydrogen 2.970 N/A SER 199.A OG GLU 196.A O no hydrogen 3.231 N/A LEU 200.A N ILE 197.A O no hydrogen 2.981 N/A GLY 201.A N GLU 196.A O no hydrogen 2.843 N/A LYS 202.A N SER 199.A OG no hydrogen 3.212 N/A GLU 206.A N MET 203.A O no hydrogen 3.242 N/A PHE 208.A N TYR 205.A O no hydrogen 3.004 N/A THR 209.A N GLU 212.A OE2 no hydrogen 2.860 N/A THR 209.A OG1 SER 211.A OG no hydrogen 3.395 N/A SER 211.A OG THR 209.A OG1 no hydrogen 3.395 N/A GLU 212.A N THR 209.A OG1 no hydrogen 3.111 N/A THR 213.A N THR 209.A O no hydrogen 2.873 N/A THR 213.A OG1 THR 209.A O no hydrogen 2.878 N/A ALA 214.A N ASN 210.A O no hydrogen 2.962 N/A GLU 215.A N SER 211.A O no hydrogen 2.898 N/A HIS 216.A N GLU 212.A O no hydrogen 2.921 N/A HIS 216.A ND1 GLU 212.A O no hydrogen 2.849 N/A ILE 217.A N THR 213.A O no hydrogen 2.882 N/A ALA 218.A N ALA 214.A O no hydrogen 3.166 N/A GLN 219.A N GLU 215.A O no hydrogen 3.314 N/A GLN 219.A N HIS 216.A O no hydrogen 3.125 N/A GLY 220.A N ILE 217.A O no hydrogen 3.075 N/A LEU 221.A N HIS 216.A O no hydrogen 2.920 N/A ARG 222.A NE TRP 241.A O no hydrogen 3.111 N/A ARG 222.A NH1 ILE 217.A O no hydrogen 3.016 N/A ARG 222.A NH1 LEU 221.A O no hydrogen 2.881 N/A ARG 222.A NH2 TRP 241.A O no hydrogen 2.987 N/A ARG 225.A NE GLU 231.A OE2 no hydrogen 3.255 N/A ARG 225.A NH1 ALA 229.A O no hydrogen 2.857 N/A ALA 229.A N PRO 226.A O no hydrogen 2.991 N/A VAL 233.A N SER 230.A OG no hydrogen 3.214 N/A TYR 234.A N SER 230.A O no hydrogen 2.870 N/A TYR 234.A OH LEU 223.A O no hydrogen 2.643 N/A THR 235.A N GLU 231.A O no hydrogen 2.860 N/A THR 235.A OG1 GLU 231.A O no hydrogen 3.007 N/A ILE 236.A N LYS 232.A O no hydrogen 3.351 N/A MET 237.A N VAL 233.A O no hydrogen 3.151 N/A TYR 238.A N TYR 234.A O no hydrogen 2.795 N/A SER 239.A N THR 235.A O no hydrogen 3.017 N/A SER 239.A OG ILE 236.A O no hydrogen 2.762 N/A CYS 240.A N MET 237.A O no hydrogen 3.096 N/A CYS 240.A SG ILE 236.A O no hydrogen 3.752 N/A TRP 241.A N TYR 238.A O no hydrogen 2.978 N/A LYS 244.A NZ GLU 243.A OE2 no hydrogen 2.941 N/A GLU 247.A N LYS 244.A O no hydrogen 3.014 N/A ARG 248.A N ALA 245.A O no hydrogen 3.099 N/A ARG 248.A NE HIS 242.A O no hydrogen 2.828 N/A ARG 248.A NH1 GLU 174.A OE1 no hydrogen 2.883 N/A ARG 248.A NH1 HIS 242.A O no hydrogen 3.147 N/A ARG 248.A NH1 GLU 243.A O no hydrogen 3.191 N/A ARG 248.A NH2 GLU 174.A OE2 no hydrogen 2.791 N/A ARG 248.A NH2 LYS 184.A O no hydrogen 2.964 N/A PHE 251.A N GLU 120.A OE2 no hydrogen 2.890 N/A LYS 252.A N GLU 120.A OE1 no hydrogen 3.431 N/A ILE 253.A N THR 250.A OG1 no hydrogen 3.072 N/A LEU 254.A N THR 250.A O no hydrogen 2.933 N/A LEU 255.A N PHE 251.A O no hydrogen 2.912 N/A SER 256.A N LYS 252.A O no hydrogen 3.150 N/A ASN 257.A N ILE 253.A O no hydrogen 2.915 N/A ILE 258.A N LEU 254.A O no hydrogen 2.908 N/A LEU 259.A N LEU 255.A O no hydrogen 2.896 N/A ASP 260.A N SER 256.A O no hydrogen 2.959 N/A VAL 261.A N ASN 257.A O no hydrogen 3.163 N/A MET 262.A N ILE 258.A O no hydrogen 3.058 N/A ASP 263.A N LEU 259.A O no hydrogen 2.887 N/A ALA 264.A N ASP 260.A O no hydrogen 2.925 N/A ASN 265.A N VAL 261.A O no hydrogen 2.861 N/A