Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u9n_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 2.A N ASP 2.A OD1 no hydrogen 2.459 N/A ASP 4.A N VAL 21.A O no hydrogen 2.825 N/A VAL 6.A N LEU 19.A O no hydrogen 2.733 N/A THR 8.A OG1 GLU 16.A OE1 no hydrogen 3.191 N/A LEU 9.A N VAL 17.A O no hydrogen 2.720 N/A GLY 10.A N VAL 17.A O no hydrogen 2.954 N/A GLY 12.A N GLY 15.A O no hydrogen 3.407 N/A GLY 15.A N GLY 12.A O no hydrogen 2.806 N/A GLU 16.A N ILE 33.A O no hydrogen 3.096 N/A VAL 17.A N GLY 10.A O no hydrogen 2.696 N/A GLN 18.A N VAL 31.A O no hydrogen 2.743 N/A GLN 18.A NE2 GLU 16.A OE1 no hydrogen 2.298 N/A LEU 19.A N GLN 7.A O no hydrogen 2.803 N/A ALA 20.A N VAL 29.A O no hydrogen 2.863 N/A VAL 21.A N ASP 4.A O no hydrogen 2.759 N/A ASN 22.A N GLU 27.A O no hydrogen 2.923 N/A ASN 22.A ND2 ASP 2.A OD2 no hydrogen 3.075 N/A ARG 23.A NH2 TRP 3.A O no hydrogen 3.363 N/A THR 25.A N ASN 22.A OD1 no hydrogen 3.194 N/A GLU 26.A N ASN 22.A O no hydrogen 2.755 N/A VAL 29.A N ALA 20.A O no hydrogen 2.978 N/A ALA 30.A N LEU 70.A O no hydrogen 2.752 N/A VAL 31.A N GLN 18.A O no hydrogen 2.757 N/A LYS 32.A N LEU 68.A O no hydrogen 2.894 N/A LYS 32.A NZ GLU 41.A OE1 no hydrogen 2.980 N/A ILE 33.A N GLU 16.A O no hydrogen 2.644 N/A VAL 34.A N GLN 66.A O no hydrogen 3.364 N/A GLU 36.A N GLY 136.A O no hydrogen 3.570 N/A LYS 40.A N ASN 37.A OD1 no hydrogen 2.807 N/A LYS 40.A NZ THR 139.A OG1 no hydrogen 2.788 N/A GLU 41.A N ASN 37.A O no hydrogen 3.122 N/A ILE 42.A N ILE 38.A O no hydrogen 2.844 N/A CYS 43.A N LYS 39.A O no hydrogen 2.983 N/A CYS 43.A SG LYS 39.A O no hydrogen 3.070 N/A ILE 44.A N LYS 40.A O no hydrogen 2.828 N/A ASN 45.A N GLU 41.A O no hydrogen 2.889 N/A ASN 45.A ND2 GLU 41.A O no hydrogen 3.034 N/A LYS 46.A N ILE 42.A O no hydrogen 2.915 N/A MET 47.A N ILE 44.A O no hydrogen 2.920 N/A LEU 48.A N ASN 45.A O no hydrogen 3.129 N/A ASN 49.A N TYR 106.A OH no hydrogen 2.893 N/A GLU 51.A N GLU 51.A OE2 no hydrogen 2.866 N/A ASN 52.A N HIS 50.A ND1 no hydrogen 2.943 N/A ASN 52.A ND2 LEU 130.A O no hydrogen 2.956 N/A VAL 53.A N HIS 50.A O no hydrogen 3.097 N/A VAL 54.A N ILE 132.A O no hydrogen 2.893 N/A LYS 55.A N GLU 71.A OE1 no hydrogen 3.037 N/A TYR 57.A N PHE 69.A O no hydrogen 2.783 N/A ARG 60.A N TYR 67.A O no hydrogen 2.960 N/A GLU 62.A N ILE 65.A O no hydrogen 3.058 N/A ASN 64.A ND2 GLY 63.A O no hydrogen 3.443 N/A ILE 65.A N GLU 62.A O no hydrogen 3.049 N/A TYR 67.A N ARG 60.A O no hydrogen 2.767 N/A LEU 68.A N LYS 32.A O no hydrogen 3.021 N/A PHE 69.A N GLY 58.A O no hydrogen 2.880 N/A LEU 70.A N ALA 30.A O no hydrogen 2.785 N/A GLU 71.A N LYS 55.A O no hydrogen 2.833 N/A CYS 73.A SG GLU 71.A O no hydrogen 3.835 N/A GLY 76.A N CYS 73.A O no hydrogen 3.157 N/A LEU 78.A N LEU 122.A O no hydrogen 2.796 N/A PHE 79.A N PRO 119.A O no hydrogen 3.134 N/A ASP 80.A N GLU 77.A O no hydrogen 2.970 N/A ARG 81.A N LEU 78.A O no hydrogen 2.797 N/A ARG 81.A NH1 ASP 128.A OD1 no hydrogen 3.058 N/A ARG 81.A NH1 ASP 128.A OD2 no hydrogen 2.887 N/A ARG 81.A NH2 GLY 75.A O no hydrogen 3.125 N/A ARG 81.A NH2 ASP 128.A OD1 no hydrogen 2.916 N/A ILE 82.A N PHE 79.A O no hydrogen 3.172 N/A GLU 83.A N GLY 87.A O no hydrogen 2.898 N/A ASP 85.A N GLY 190.A O no hydrogen 2.844 N/A ILE 86.A N GLU 83.A O no hydrogen 2.912 N/A GLY 87.A N GLU 83.A O no hydrogen 2.784 N/A ALA 93.A N PRO 89.A O no hydrogen 3.028 N/A GLN 94.A N GLU 90.A O no hydrogen 2.884 N/A GLN 94.A NE2 TRP 250.A O no hydrogen 2.858 N/A GLN 94.A NE2 LYS 253.A O no hydrogen 2.688 N/A ARG 95.A N PRO 91.A O no hydrogen 3.081 N/A ARG 95.A NH1 ASP 128.A O no hydrogen 2.893 N/A ARG 95.A NH2 ARG 127.A O no hydrogen 3.276 N/A ARG 95.A NH2 ASP 128.A O no hydrogen 3.340 N/A PHE 96.A N ASP 92.A O no hydrogen 2.981 N/A PHE 97.A N ALA 93.A O no hydrogen 2.873 N/A HIS 98.A N GLN 94.A O no hydrogen 2.877 N/A HIS 98.A NE2 TYR 251.A O no hydrogen 2.658 N/A GLN 99.A N ARG 95.A O no hydrogen 3.116 N/A LEU 100.A N PHE 96.A O no hydrogen 2.818 N/A MET 101.A N PHE 97.A O no hydrogen 2.897 N/A ALA 102.A N HIS 98.A O no hydrogen 3.103 N/A GLY 103.A N GLN 99.A O no hydrogen 3.123 N/A VAL 104.A N LEU 100.A O no hydrogen 2.923 N/A VAL 105.A N MET 101.A O no hydrogen 2.741 N/A TYR 106.A N ALA 102.A O no hydrogen 3.085 N/A TYR 106.A OH MET 47.A O no hydrogen 3.323 N/A LEU 107.A N GLY 103.A O no hydrogen 3.040 N/A HIS 108.A N VAL 104.A O no hydrogen 2.880 N/A HIS 108.A NE2 ASP 176.A OD2 no hydrogen 2.735 N/A GLY 109.A N VAL 105.A O no hydrogen 2.863 N/A ILE 110.A N TYR 106.A O no hydrogen 3.139 N/A ILE 110.A N LEU 107.A O no hydrogen 3.022 N/A GLY 111.A N HIS 108.A O no hydrogen 3.007 N/A ILE 112.A N LEU 107.A O no hydrogen 2.893 N/A THR 113.A N THR 139.A O no hydrogen 2.967 N/A THR 113.A OG1 ASP 176.A OD2 no hydrogen 2.746 N/A HIS 114.A N ASP 176.A OD2 no hydrogen 3.280 N/A HIS 114.A NE2 SER 133.A O no hydrogen 2.812 N/A ARG 115.A N ASP 176.A OD1 no hydrogen 3.119 N/A ARG 115.A NE LEU 137.A O no hydrogen 2.644 N/A ARG 115.A NH2 LEU 137.A O no hydrogen 3.139 N/A ASP 116.A N HIS 114.A ND1 no hydrogen 3.123 N/A LYS 118.A NZ THR 156.A OG1 no hydrogen 2.838 N/A GLU 120.A N GLU 120.A OE1 no hydrogen 2.725 N/A ASN 121.A N LYS 118.A O no hydrogen 2.983 N/A ASN 121.A ND2 ASP 116.A O no hydrogen 2.951 N/A LEU 122.A N PRO 119.A O no hydrogen 3.400 N/A LEU 123.A N LYS 131.A O no hydrogen 2.820 N/A LEU 124.A N GLY 76.A O no hydrogen 2.753 N/A ASP 125.A N ASN 129.A O no hydrogen 3.050 N/A GLU 126.A N GLU 126.A OE1 no hydrogen 2.644 N/A ARG 127.A N ASP 125.A OD1 no hydrogen 2.764 N/A ASP 128.A N ASP 125.A O no hydrogen 2.872 N/A ASN 129.A N ASP 125.A OD1 no hydrogen 2.692 N/A ASN 129.A ND2 ASP 125.A OD2 no hydrogen 3.110 N/A LEU 130.A N GLN 99.A OE1 no hydrogen 2.740 N/A LYS 131.A N LEU 123.A O no hydrogen 2.732 N/A LYS 131.A NZ GLU 51.A O no hydrogen 2.901 N/A LYS 131.A NZ GLU 71.A OE2 no hydrogen 2.742 N/A ILE 132.A N ASN 52.A O no hydrogen 2.802 N/A SER 133.A N ASN 121.A O no hydrogen 2.844 N/A SER 133.A OG ASN 121.A O no hydrogen 2.712 N/A GLY 136.A N ASP 134.A OD1 no hydrogen 3.110 N/A ALA 138.A N PHE 135.A O no hydrogen 3.254 N/A THR 139.A N THR 113.A O no hydrogen 3.036 N/A PHE 141.A N GLY 111.A O no hydrogen 2.753 N/A ARG 142.A NH1 HIS 108.A O no hydrogen 2.796 N/A ARG 142.A NH2 HIS 108.A O no hydrogen 3.214 N/A TYR 143.A N ARG 146.A O no hydrogen 3.071 N/A ARG 146.A N TYR 143.A O no hydrogen 2.977 N/A ARG 148.A N PHE 141.A O no hydrogen 2.776 N/A LEU 150.A N PHE 170.A O no hydrogen 2.904 N/A THR 156.A OG1 ASP 116.A OD1 no hydrogen 2.783 N/A TYR 159.A N THR 156.A O no hydrogen 2.740 N/A VAL 160.A N THR 156.A O no hydrogen 3.015 N/A VAL 160.A N LEU 157.A O no hydrogen 3.229 N/A GLU 163.A N GLU 163.A OE1 no hydrogen 2.705 N/A LEU 164.A N ALA 161.A O no hydrogen 3.244 N/A LEU 165.A N PRO 162.A O no hydrogen 2.976 N/A LYS 166.A N PRO 162.A O no hydrogen 3.239 N/A LYS 166.A N GLU 163.A O no hydrogen 3.185 N/A ARG 167.A N GLU 163.A O no hydrogen 2.716 N/A ARG 167.A NH2 ASN 235.A OD1 no hydrogen 3.374 N/A PHE 170.A N LEU 150.A O no hydrogen 2.879 N/A HIS 171.A ND1 GLU 147.A OE2 no hydrogen 2.848 N/A VAL 175.A N ALA 172.A O no hydrogen 3.190 N/A ASP 176.A N ALA 172.A O no hydrogen 3.456 N/A VAL 177.A N GLU 173.A O no hydrogen 3.059 N/A TRP 178.A N PRO 174.A O no hydrogen 2.962 N/A SER 179.A N VAL 175.A O no hydrogen 3.163 N/A SER 179.A OG ASP 176.A O no hydrogen 2.900 N/A CYS 180.A N ASP 176.A O no hydrogen 3.044 N/A CYS 180.A SG ASP 176.A O no hydrogen 3.302 N/A GLY 181.A N VAL 177.A O no hydrogen 3.069 N/A ILE 182.A N TRP 178.A O no hydrogen 3.000 N/A VAL 183.A N SER 179.A O no hydrogen 2.918 N/A LEU 184.A N CYS 180.A O no hydrogen 2.901 N/A THR 185.A N GLY 181.A O no hydrogen 2.927 N/A THR 185.A OG1 GLY 181.A O no hydrogen 2.892 N/A ALA 186.A N ILE 182.A O no hydrogen 2.990 N/A MET 187.A N VAL 183.A O no hydrogen 2.935 N/A LEU 188.A N LEU 184.A O no hydrogen 3.072 N/A LEU 188.A N THR 185.A O no hydrogen 3.231 N/A ALA 189.A N THR 185.A O no hydrogen 2.937 N/A GLY 190.A N ALA 186.A O no hydrogen 2.695 N/A GLN 196.A NE2 SER 198.A OG no hydrogen 2.513 N/A ASP 199.A N ASP 199.A OD2 no hydrogen 2.280 N/A CYS 201.A N SER 198.A O no hydrogen 3.140 N/A CYS 201.A SG GLU 203.A OE1 no hydrogen 3.746 N/A GLN 202.A NE2 ASP 206.A OD1 no hydrogen 3.116 N/A SER 205.A N CYS 201.A O no hydrogen 2.995 N/A SER 205.A OG CYS 201.A O no hydrogen 3.486 N/A ASP 206.A N GLN 202.A O no hydrogen 2.879 N/A TRP 207.A N GLU 203.A O no hydrogen 3.187 N/A TRP 207.A NE1 LEU 232.A O no hydrogen 2.992 N/A LYS 208.A N TYR 204.A O no hydrogen 3.048 N/A GLU 209.A N SER 205.A O no hydrogen 2.961 N/A LYS 210.A N TRP 207.A O no hydrogen 2.765 N/A LYS 211.A N ASP 206.A O no hydrogen 2.931 N/A LYS 211.A NZ ASP 206.A OD1 no hydrogen 3.272 N/A LYS 211.A NZ GLU 209.A OE1 no hydrogen 3.446 N/A THR 212.A N LYS 210.A O no hydrogen 2.770 N/A LEU 214.A N LYS 211.A O no hydrogen 3.304 N/A LYS 218.A N LEU 214.A O no hydrogen 3.024 N/A LYS 219.A N PRO 216.A O no hydrogen 3.086 N/A LYS 219.A NZ ASP 85.A O no hydrogen 3.024 N/A LYS 219.A NZ ASP 85.A OD1 no hydrogen 2.781 N/A LYS 219.A NZ ALA 189.A O no hydrogen 2.929 N/A LYS 219.A NZ GLU 191.A OE1 no hydrogen 2.712 N/A ILE 220.A N TRP 217.A O no hydrogen 3.059 N/A ALA 223.A N ASP 221.A OD2 no hydrogen 3.075 N/A LEU 225.A N ASP 221.A O no hydrogen 2.939 N/A ALA 226.A N SER 222.A O no hydrogen 3.022 N/A LEU 227.A N ALA 223.A O no hydrogen 3.411 N/A LEU 228.A N PRO 224.A O no hydrogen 2.975 N/A HIS 229.A N LEU 225.A O no hydrogen 2.957 N/A LYS 230.A N LEU 227.A O no hydrogen 2.958 N/A LYS 230.A NZ ASP 248.A OD1 no hydrogen 2.848 N/A ILE 231.A N LEU 227.A O no hydrogen 3.031 N/A LEU 232.A N LEU 228.A O no hydrogen 2.895 N/A SER 237.A N ASN 235.A OD1 no hydrogen 3.038 N/A ALA 238.A N ASN 235.A O no hydrogen 2.885 N/A ARG 239.A N PRO 236.A O no hydrogen 3.367 N/A ARG 239.A NE VAL 233.A O no hydrogen 2.941 N/A ARG 239.A NH1 GLU 163.A OE2 no hydrogen 2.872 N/A ARG 239.A NH1 PRO 174.A O no hydrogen 2.861 N/A ARG 239.A NH2 GLU 163.A OE1 no hydrogen 2.825 N/A ARG 239.A NH2 GLU 163.A OE2 no hydrogen 3.541 N/A ARG 239.A NH2 VAL 233.A O no hydrogen 2.975 N/A ARG 239.A NH2 GLU 234.A O no hydrogen 3.245 N/A ILE 240.A N LYS 230.A O no hydrogen 3.212 N/A ILE 245.A N THR 241.A O no hydrogen 2.895 N/A LYS 246.A N ILE 242.A O no hydrogen 2.981 N/A LYS 247.A N ASP 244.A O no hydrogen 3.077 N/A LYS 247.A NZ ASP 244.A OD1 no hydrogen 2.703 N/A ASP 248.A N ILE 245.A O no hydrogen 2.920 N/A TRP 250.A NE1 GLU 90.A OE2 no hydrogen 2.905 N/A TYR 251.A N ASP 248.A OD2 no hydrogen 2.798 N/A ASN 252.A N ASP 248.A O no hydrogen 3.032 N/A ASN 252.A N ARG 249.A O no hydrogen 3.127 N/A ASN 252.A ND2 LYS 246.A O no hydrogen 2.812 N/A ASN 252.A ND2 ASP 248.A O no hydrogen 2.909 N/A LYS 253.A N TRP 250.A O no hydrogen 2.981 N/A