Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u0l_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG ILE 3.A O no hydrogen 3.352 N/A SER 1.A OG TYR 33.A OH no hydrogen 3.274 N/A ILE 3.A N SER 1.A OG no hydrogen 2.978 N/A LYS 4.A NZ SER 1.A O no hydrogen 2.785 N/A MET 7.A N GLY 30.A O no hydrogen 3.064 N/A MET 9.A N GLY 28.A O no hydrogen 3.070 N/A LYS 10.A N LEU 110.A O no hydrogen 2.870 N/A VAL 11.A N GLY 26.A O no hydrogen 2.873 N/A VAL 12.A N TYR 112.A O no hydrogen 3.013 N/A LEU 13.A N CYS 24.A O no hydrogen 2.952 N/A GLU 14.A N ALA 114.A O no hydrogen 3.032 N/A GLY 15.A N PHE 22.A O no hydrogen 3.095 N/A SER 16.A N VAL 116.A O no hydrogen 3.048 N/A VAL 17.A N HIS 20.A O no hydrogen 3.025 N/A ASN 18.A N GLY 118.A O no hydrogen 2.851 N/A ASN 18.A ND2 PHE 121.A O no hydrogen 2.872 N/A HIS 20.A N VAL 17.A O no hydrogen 2.922 N/A HIS 20.A ND1.B VAL 17.A O no hydrogen 3.156 N/A HIS 20.A NE2.A GLY 46.A O no hydrogen 2.574 N/A PHE 22.A N GLY 15.A O no hydrogen 2.874 N/A LYS 23.A N GLU 45.A O no hydrogen 2.996 N/A CYS 24.A N LEU 13.A O no hydrogen 2.750 N/A THR 25.A N LYS 42.A O no hydrogen 2.964 N/A GLY 26.A N VAL 11.A O no hydrogen 2.913 N/A GLU 27.A N ARG 40.A O no hydrogen 2.967 N/A GLY 28.A N MET 9.A O no hydrogen 2.943 N/A GLU 29.A N THR 38.A O no hydrogen 3.035 N/A GLY 30.A N MET 7.A O no hydrogen 2.907 N/A ASN 31.A N THR 36.A O no hydrogen 2.898 N/A ASN 31.A ND2.B GLU 5.A O no hydrogen 2.937 N/A TYR 33.A N ASN 31.A OD1.A no hydrogen 2.934 N/A TYR 33.A OH ILE 3.A O no hydrogen 2.701 N/A MET 34.A N ASN 31.A O no hydrogen 3.001 N/A GLY 35.A N PRO 32.A O no hydrogen 3.428 N/A THR 36.A N ASN 31.A O no hydrogen 3.424 N/A GLN 37.A N GLU 210.A O no hydrogen 3.152 N/A GLN 37.A NE2 SER 61.A O no hydrogen 3.230 N/A THR 38.A N GLU 29.A O no hydrogen 2.947 N/A MET 39.A N GLN 208.A O no hydrogen 2.893 N/A ARG 40.A N GLU 27.A O no hydrogen 2.878 N/A ARG 40.A NE GLU 27.A OE2 no hydrogen 2.837 N/A ARG 40.A NH1 GLU 29.A OE2 no hydrogen 2.962 N/A ARG 40.A NH2 GLU 27.A OE1 no hydrogen 2.812 N/A ARG 40.A NH2 GLU 27.A OE2 no hydrogen 3.551 N/A ARG 40.A NH2 GLU 29.A OE1 no hydrogen 2.771 N/A ILE 41.A N VAL 206.A O no hydrogen 2.795 N/A LYS 42.A N THR 25.A O no hydrogen 2.889 N/A VAL 43.A N MET 204.A O no hydrogen 2.898 N/A ILE 44.A N LYS 23.A O no hydrogen 2.846 N/A GLU 45.A N LYS 23.A O no hydrogen 3.146 N/A ALA 52.A N VAL 127.A O no hydrogen 2.902 N/A PHE 53.A N GLU 203.A OE1 no hydrogen 3.003 N/A ILE 55.A N ALA 52.A O no hydrogen 3.173 N/A LEU 56.A N PHE 53.A O no hydrogen 2.826 N/A ALA 57.A N ASP 54.A O no hydrogen 3.198 N/A SER 59.A N LEU 56.A O no hydrogen 2.913 N/A SER 61.A OG GLN 37.A OE1 no hydrogen 2.601 N/A SER 61.A OG TYR 112.A OH no hydrogen 2.576 N/A ARG 62.A NH1 GLU 140.A OE1 no hydrogen 3.060 N/A ARG 62.A NH2 GLU 140.A OE1 no hydrogen 2.642 N/A PHE 64.A N SER 61.A O no hydrogen 3.292 N/A LYS 66.A N ALA 212.A O no hydrogen 2.978 N/A TYR 67.A OH HIS 188.A NE2 no hydrogen 2.744 N/A ILE 71.A N PRO 68.A O no hydrogen 3.042 N/A LYS 76.A N ASP 73.A OD1 no hydrogen 3.025 N/A LYS 76.A NZ PRO 32.A O no hydrogen 3.338 N/A LYS 76.A NZ THR 63.A O no hydrogen 2.935 N/A LYS 76.A NZ ILE 65.A O no hydrogen 2.825 N/A LYS 76.A NZ ASP 73.A OD2 no hydrogen 2.796 N/A GLN 77.A N ASP 73.A O no hydrogen 3.164 N/A GLN 77.A NE2 ASP 73.A O no hydrogen 3.162 N/A GLN 77.A NE2 LYS 183.A O no hydrogen 2.895 N/A SER 78.A N PHE 75.A O no hydrogen 3.119 N/A SER 78.A OG.A PHE 75.A O no hydrogen 2.792 N/A SER 78.A OG.B PHE 74.A O no hydrogen 2.999 N/A GLU 81.A N GLU 81.A OE2 no hydrogen 2.801 N/A GLY 82.A N SER 78.A O no hydrogen 3.004 N/A PHE 83.A N THR 103.A O no hydrogen 3.255 N/A THR 84.A N ARG 174.A O no hydrogen 2.912 N/A TRP 85.A N GLN 101.A O no hydrogen 2.987 N/A GLU 86.A N THR 172.A O no hydrogen 3.052 N/A ARG 87.A N VAL 99.A O no hydrogen 2.922 N/A ARG 87.A NE THR 171.A OG1 no hydrogen 2.798 N/A ARG 87.A NH1 THR 58.A O no hydrogen 2.912 N/A ARG 87.A NH2 TYR 173.A OH no hydrogen 3.396 N/A VAL 88.A N.A VAL 170.A O.A no hydrogen 3.438 N/A VAL 88.A N.A VAL 170.A O.B no hydrogen 3.341 N/A VAL 88.A N.B VAL 170.A O.A no hydrogen 3.356 N/A VAL 88.A N.B VAL 170.A O.B no hydrogen 3.243 N/A THR 89.A N ILE 97.A O no hydrogen 2.820 N/A ARG 90.A N SER 168.A O.A no hydrogen 2.824 N/A ARG 90.A N SER 168.A O.B no hydrogen 3.032 N/A TYR 91.A N GLY 95.A O.A no hydrogen 2.860 N/A TYR 91.A N GLY 95.A O.B no hydrogen 2.851 N/A GLU 92.A N.A SER 166.A O no hydrogen 2.901 N/A GLU 92.A N.B SER 166.A O no hydrogen 2.825 N/A GLY 94.A N.A TYR 91.A O no hydrogen 2.742 N/A GLY 94.A N.B TYR 91.A O no hydrogen 3.201 N/A VAL 96.A N VAL 119.A O no hydrogen 2.975 N/A ILE 97.A N THR 89.A O no hydrogen 2.826 N/A THR 98.A N ARG 117.A O no hydrogen 2.925 N/A VAL 99.A N ARG 87.A O no hydrogen 2.891 N/A MET 100.A N GLN 115.A O no hydrogen 2.989 N/A GLN 101.A N TRP 85.A O no hydrogen 2.808 N/A ASP 102.A N HIS 113.A O no hydrogen 2.880 N/A THR 103.A N PHE 83.A O no hydrogen 2.879 N/A THR 103.A OG1 GLN 101.A OE1 no hydrogen 2.724 N/A SER 104.A N VAL 111.A O no hydrogen 2.910 N/A SER 104.A OG ASP 102.A OD1 no hydrogen 2.781 N/A GLU 106.A N CYS 109.A O no hydrogen 2.894 N/A CYS 109.A N GLU 106.A O no hydrogen 2.986 N/A CYS 109.A SG.A LEU 110.A O no hydrogen 3.486 N/A LEU 110.A N ARG 8.A O no hydrogen 2.938 N/A VAL 111.A N SER 104.A O no hydrogen 2.834 N/A TYR 112.A N LYS 10.A O no hydrogen 2.840 N/A TYR 112.A OH SER 61.A OG no hydrogen 2.576 N/A HIS 113.A N ASP 102.A O no hydrogen 3.012 N/A ALA 114.A N VAL 12.A O no hydrogen 2.934 N/A GLN 115.A N MET 100.A O no hydrogen 2.917 N/A VAL 116.A N GLU 14.A O no hydrogen 2.876 N/A ARG 117.A N THR 98.A O no hydrogen 2.918 N/A GLY 118.A N SER 16.A O no hydrogen 2.813 N/A VAL 119.A N VAL 96.A O no hydrogen 2.901 N/A PHE 121.A N ASN 18.A OD1 no hydrogen 3.044 N/A GLY 125.A N PRO 122.A O no hydrogen 2.979 N/A GLN 129.A N GLY 125.A O no hydrogen 2.949 N/A GLN 129.A NE2 SER 123.A O no hydrogen 2.795 N/A LYS 130.A N VAL 127.A O no hydrogen 3.222 N/A LYS 130.A NZ LEU 49.A O no hydrogen 2.930 N/A LYS 130.A NZ ASN 202.A O no hydrogen 3.280 N/A LYS 131.A N ALA 126.A O no hydrogen 2.920 N/A THR 132.A OG1 ASP 54.A OD1 no hydrogen 2.648 N/A LYS 133.A N LYS 158.A O no hydrogen 2.850 N/A GLY 134.A N ASP 54.A OD1 no hydrogen 2.852 N/A TRP 135.A NE1 ASP 54.A O no hydrogen 2.825 N/A GLU 136.A N ALA 156.A O no hydrogen 2.985 N/A ASN 138.A N HIS 192.A O no hydrogen 3.152 N/A ASN 138.A ND2 THR 153.A OG1.B no hydrogen 2.566 N/A THR 139.A OG1 SER 191.A OG.A no hydrogen 3.416 N/A GLU 140.A N VAL 190.A O no hydrogen 2.817 N/A MET 141.A N TYR 152.A O no hydrogen 2.884 N/A MET 142.A N HIS 188.A O no hydrogen 2.812 N/A TYR 143.A N ARG 150.A O no hydrogen 2.807 N/A ALA 145.A N GLY 148.A O no hydrogen 2.863 N/A GLY 148.A N ALA 145.A O no hydrogen 2.920 N/A LEU 149.A N TYR 173.A O no hydrogen 2.985 N/A ARG 150.A N TYR 143.A O no hydrogen 2.840 N/A ARG 150.A NH1 LEU 149.A O no hydrogen 3.033 N/A GLY 151.A N THR 171.A O no hydrogen 2.815 N/A TYR 152.A N MET 141.A O no hydrogen 2.839 N/A THR 153.A N PHE 169.A O.A no hydrogen 3.087 N/A THR 153.A N PHE 169.A O.B no hydrogen 2.976 N/A THR 153.A OG1.B THR 139.A O no hydrogen 3.015 N/A THR 153.A OG1.B HIS 154.A O no hydrogen 3.499 N/A MET 155.A N CYS 167.A O.A no hydrogen 2.868 N/A MET 155.A N CYS 167.A O.B no hydrogen 2.812 N/A LEU 157.A N LEU 165.A O no hydrogen 2.901 N/A LYS 158.A N GLY 134.A O no hydrogen 2.881 N/A VAL 159.A N GLY 163.A O.A no hydrogen 2.998 N/A VAL 159.A N GLY 163.A O.B no hydrogen 2.945 N/A ASP 160.A N LYS 131.A O no hydrogen 2.866 N/A GLY 162.A N.B VAL 159.A O no hydrogen 3.126 N/A GLY 163.A N.A VAL 159.A O no hydrogen 3.157 N/A HIS 164.A NE2 GLU 136.A OE1 no hydrogen 2.623 N/A LEU 165.A N LEU 157.A O no hydrogen 2.843 N/A SER 166.A N GLU 92.A OE2.A no hydrogen 2.897 N/A SER 166.A N GLU 92.A OE2.B no hydrogen 2.908 N/A SER 166.A OG.A HIS 154.A NE2 no hydrogen 2.444 N/A CYS 167.A N.A MET 155.A O no hydrogen 2.917 N/A CYS 167.A N.B MET 155.A O no hydrogen 2.894 N/A CYS 167.A SG.B LEU 165.A O no hydrogen 3.489 N/A SER 168.A N.A ARG 90.A O no hydrogen 2.983 N/A SER 168.A N.B ARG 90.A O no hydrogen 2.957 N/A PHE 169.A N.A THR 153.A O no hydrogen 3.128 N/A PHE 169.A N.B THR 153.A O no hydrogen 2.744 N/A VAL 170.A N.B VAL 88.A O.A no hydrogen 3.121 N/A THR 171.A N GLY 151.A O no hydrogen 2.884 N/A THR 172.A N GLU 86.A O no hydrogen 2.847 N/A TYR 173.A N LEU 149.A O no hydrogen 2.866 N/A TYR 173.A OH GLU 140.A OE2 no hydrogen 2.695 N/A ARG 174.A N THR 84.A O no hydrogen 3.008 N/A LYS 176.A N GLY 82.A O no hydrogen 2.924 N/A LYS 176.A NZ GLU 81.A O no hydrogen 3.182 N/A LYS 176.A NZ ASP 102.A OD1 no hydrogen 3.425 N/A LYS 176.A NZ ASP 102.A OD2 no hydrogen 2.751 N/A LYS 176.A NZ THR 103.A O no hydrogen 2.982 N/A LYS 177.A N SER 175.A OG no hydrogen 2.963 N/A LYS 177.A NZ.A GLN 77.A O no hydrogen 3.290 N/A LYS 177.A NZ.A SER 78.A O no hydrogen 3.501 N/A LYS 177.A NZ.A PHE 79.A O no hydrogen 2.866 N/A LYS 177.A NZ.A GLU 81.A OE2 no hydrogen 3.231 N/A LYS 177.A NZ.B GLN 77.A O no hydrogen 2.971 N/A LYS 177.A NZ.B ASN 181.A O no hydrogen 2.758 N/A THR 178.A N GLU 81.A OE1 no hydrogen 2.922 N/A THR 178.A OG1 GLU 81.A OE1 no hydrogen 3.455 N/A VAL 179.A N GLU 81.A OE1 no hydrogen 3.419 N/A LYS 183.A N GLN 77.A OE1 no hydrogen 2.827 N/A HIS 188.A N MET 142.A O no hydrogen 3.045 N/A HIS 188.A ND1 GLY 186.A O no hydrogen 2.844 N/A HIS 188.A NE2 TYR 67.A OH no hydrogen 2.744 N/A ALA 189.A N LYS 215.A O no hydrogen 2.960 N/A VAL 190.A N GLU 140.A O no hydrogen 2.828 N/A SER 191.A N VAL 213.A O no hydrogen 2.879 N/A SER 191.A OG.A THR 139.A OG1 no hydrogen 3.416 N/A HIS 192.A N ASN 138.A O no hydrogen 2.853 N/A HIS 192.A ND1 GLU 210.A OE2 no hydrogen 2.661 N/A HIS 192.A NE2 GLU 140.A OE1 no hydrogen 2.952 N/A ARG 193.A N HIS 211.A O no hydrogen 2.980 N/A ARG 193.A NE.B GLU 195.A OE2 no hydrogen 2.939 N/A GLU 195.A N ARG 209.A O.A no hydrogen 2.952 N/A GLU 195.A N ARG 209.A O.B no hydrogen 2.856 N/A ARG 196.A NH1 GLU 199.A OE1 no hydrogen 2.939 N/A ARG 196.A NH1 GLU 203.A OE2 no hydrogen 2.807 N/A ARG 196.A NH2 GLU 203.A OE2 no hydrogen 3.503 N/A LEU 197.A N VAL 207.A O no hydrogen 2.782 N/A GLU 198.A N VAL 207.A O no hydrogen 3.295 N/A SER 200.A N PHE 205.A O no hydrogen 2.940 N/A SER 200.A OG PHE 205.A O no hydrogen 3.506 N/A GLU 203.A N SER 200.A O no hydrogen 2.985 N/A PHE 205.A N SER 200.A OG no hydrogen 3.052 N/A VAL 206.A N ILE 41.A O no hydrogen 2.948 N/A VAL 207.A N GLU 198.A O no hydrogen 2.983 N/A GLN 208.A N MET 39.A O no hydrogen 3.027 N/A GLN 208.A NE2 ALA 57.A O no hydrogen 2.984 N/A ARG 209.A N.A GLU 195.A O no hydrogen 2.925 N/A ARG 209.A N.B GLU 195.A O no hydrogen 2.923 N/A ARG 209.A NH1.B THR 38.A OG1 no hydrogen 2.812 N/A ARG 209.A NH2.A GLU 195.A OE1 no hydrogen 2.701 N/A GLU 210.A N GLN 37.A O no hydrogen 2.950 N/A HIS 211.A N ARG 193.A O no hydrogen 3.001 N/A ALA 212.A N GLY 35.A O no hydrogen 2.852 N/A VAL 213.A N SER 191.A O no hydrogen 2.983 N/A ALA 214.A N LYS 66.A O no hydrogen 2.901 N/A LYS 215.A N ALA 189.A O no hydrogen 2.846 N/A