Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4qu9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 9.A N GLU 233.A O no hydrogen 2.894 N/A TYR 9.A OH ASP 153.A OD1 no hydrogen 2.547 N/A TYR 13.A N SER 84.A OG no hydrogen 3.269 N/A GLU 15.A N LYS 82.A O no hydrogen 2.993 N/A CYS 19.A N GLU 56.A O no hydrogen 2.944 N/A ILE 20.A N VAL 87.A O no hydrogen 2.872 N/A ILE 21.A N ARG 58.A O no hydrogen 2.887 N/A ILE 22.A N VAL 89.A O no hydrogen 2.825 N/A ASN 23.A N LYS 60.A O no hydrogen 2.795 N/A ASN 23.A ND2 ASP 40.A OD1 no hydrogen 3.004 N/A ASN 23.A ND2 ASN 61.A OD1 no hydrogen 3.107 N/A ASN 24.A N LEU 91.A O no hydrogen 2.910 N/A ASN 24.A ND2 LEU 63.A O no hydrogen 3.204 N/A ASN 24.A ND2 ALA 100.A O no hydrogen 3.020 N/A LYS 25.A N ASP 62.A OD1 no hydrogen 2.868 N/A LYS 25.A NZ ASP 40.A OD2 no hydrogen 3.211 N/A ASN 26.A N ASP 62.A OD1 no hydrogen 3.042 N/A ASN 26.A ND2 ASP 62.A OD2 no hydrogen 2.967 N/A HIS 28.A N THR 102.A O no hydrogen 2.842 N/A THR 31.A N HIS 28.A O no hydrogen 2.961 N/A THR 31.A OG1 HIS 28.A O no hydrogen 2.697 N/A GLY 32.A N LYS 29.A O no hydrogen 2.995 N/A MET 33.A N THR 31.A OG1 no hydrogen 3.143 N/A ARG 36.A N LYS 25.A O no hydrogen 2.944 N/A ARG 36.A NH1 ASN 24.A O no hydrogen 2.892 N/A ARG 36.A NH1 THR 39.A OG1 no hydrogen 2.951 N/A THR 39.A N ARG 36.A O no hydrogen 3.050 N/A THR 39.A OG1 ASN 23.A OD1 no hydrogen 2.636 N/A ASP 42.A N GLY 38.A O no hydrogen 3.345 N/A ALA 43.A N THR 39.A O no hydrogen 2.925 N/A ALA 44.A N ASP 40.A O no hydrogen 2.952 N/A ASN 45.A N VAL 41.A O no hydrogen 2.973 N/A ASN 45.A ND2 GLN 178.A OE1.B no hydrogen 3.050 N/A LEU 46.A N ASP 42.A O no hydrogen 2.863 N/A ARG 47.A N ALA 43.A O no hydrogen 2.983 N/A ARG 47.A NH1 ASN 59.A OD1 no hydrogen 2.628 N/A GLU 48.A N ALA 44.A O no hydrogen 3.090 N/A THR 49.A N ASN 45.A O no hydrogen 2.907 N/A THR 49.A OG1 ASN 45.A O no hydrogen 2.751 N/A PHE 50.A N LEU 46.A O no hydrogen 2.880 N/A ARG 51.A N ARG 47.A O no hydrogen 2.926 N/A ARG 51.A NE GLU 48.A OE2 no hydrogen 2.961 N/A ARG 51.A NH2 GLU 48.A OE1 no hydrogen 2.888 N/A ARG 51.A NH2 GLU 48.A OE2 no hydrogen 3.459 N/A ASN 52.A N GLU 48.A O no hydrogen 3.039 N/A LEU 53.A N PHE 50.A O no hydrogen 3.109 N/A LYS 54.A N ARG 51.A O no hydrogen 2.898 N/A TYR 55.A N PHE 50.A O no hydrogen 3.003 N/A TYR 55.A OH SER 85.A OG no hydrogen 2.764 N/A GLU 56.A N GLY 17.A O no hydrogen 2.952 N/A ARG 58.A N CYS 19.A O no hydrogen 2.877 N/A ARG 58.A NH1 GLU 78.A OE2 no hydrogen 2.763 N/A ARG 58.A NH2 GLU 56.A OE2 no hydrogen 3.346 N/A ARG 58.A NH2 GLU 78.A OE1 no hydrogen 3.240 N/A ARG 58.A NH2 GLU 78.A OE2 no hydrogen 3.445 N/A ASN 59.A ND2 ALA 43.A O no hydrogen 3.658 N/A LYS 60.A N ILE 21.A O no hydrogen 2.827 N/A ASP 62.A N ASN 23.A O no hydrogen 2.963 N/A LEU 63.A N ASN 24.A OD1 no hydrogen 2.841 N/A THR 64.A N GLU 67.A OE1 no hydrogen 2.929 N/A THR 64.A OG1 GLU 66.A OE1 no hydrogen 3.499 N/A THR 64.A OG1 GLU 67.A OE1 no hydrogen 3.312 N/A ARG 65.A N ASN 103.A OD1 no hydrogen 2.826 N/A ARG 65.A NE GLU 66.A OE2 no hydrogen 3.069 N/A GLU 66.A N GLU 66.A OE1 no hydrogen 2.892 N/A GLU 67.A N THR 64.A OG1 no hydrogen 3.022 N/A ILE 68.A N THR 64.A O no hydrogen 2.906 N/A VAL 69.A N ARG 65.A O no hydrogen 3.157 N/A GLU 70.A N GLU 66.A O no hydrogen 2.986 N/A LEU 71.A N GLU 67.A O no hydrogen 2.902 N/A MET 72.A N ILE 68.A O no hydrogen 3.024 N/A ARG 73.A N VAL 69.A O no hydrogen 2.916 N/A ASP 74.A N GLU 70.A O no hydrogen 2.899 N/A VAL 75.A N LEU 71.A O no hydrogen 2.867 N/A SER 76.A N MET 72.A O no hydrogen 2.929 N/A SER 76.A OG MET 72.A O no hydrogen 3.428 N/A SER 76.A OG ARG 73.A O no hydrogen 2.711 N/A LYS 77.A N ASP 74.A O no hydrogen 3.087 N/A GLU 78.A N VAL 75.A O no hydrogen 3.115 N/A HIS 80.A N SER 122.A OG no hydrogen 2.850 N/A HIS 80.A NE2 VAL 75.A O no hydrogen 2.832 N/A SER 81.A N ASP 79.A OD1 no hydrogen 2.956 N/A SER 81.A OG.A ASP 79.A OD1 no hydrogen 2.638 N/A SER 81.A OG.B ASP 79.A OD1 no hydrogen 3.012 N/A ARG 83.A N HIS 80.A O no hydrogen 2.938 N/A ARG 83.A NE GLU 15.A OE2 no hydrogen 3.319 N/A ARG 83.A NH1 GLU 78.A OE1 no hydrogen 3.005 N/A ARG 83.A NH2 GLU 78.A OE1 no hydrogen 3.421 N/A SER 84.A N GLU 15.A O no hydrogen 2.843 N/A SER 84.A OG GLU 15.A O no hydrogen 3.247 N/A SER 85.A OG MET 16.A O no hydrogen 2.829 N/A SER 85.A OG TYR 55.A OH no hydrogen 2.764 N/A PHE 86.A N PRO 127.A O no hydrogen 3.045 N/A VAL 87.A N LEU 18.A O no hydrogen 2.949 N/A CYS 88.A N LEU 129.A O no hydrogen 2.839 N/A VAL 89.A N ILE 20.A O no hydrogen 2.730 N/A LEU 90.A N ILE 131.A O no hydrogen 2.843 N/A LEU 91.A N ILE 22.A O no hydrogen 2.886 N/A SER 92.A N GLN 133.A O no hydrogen 3.076 N/A SER 92.A OG ALA 100.A O no hydrogen 2.647 N/A HIS 93.A NE2 THR 34.A O no hydrogen 2.771 N/A GLU 95.A N ILE 98.A O no hydrogen 3.256 N/A ILE 98.A N GLU 95.A O no hydrogen 2.915 N/A ILE 99.A N VAL 106.A O no hydrogen 2.932 N/A ALA 100.A N HIS 93.A O no hydrogen 2.830 N/A GLY 101.A N GLY 104.A O no hydrogen 2.750 N/A THR 102.A N LEU 63.A O no hydrogen 2.939 N/A ASN 103.A ND2 GLU 66.A OE1 no hydrogen 2.954 N/A GLY 104.A N GLY 101.A O no hydrogen 3.413 N/A VAL 106.A N ILE 99.A O no hydrogen 2.779 N/A LEU 108.A N GLY 97.A O no hydrogen 2.909 N/A LYS 109.A NZ.A GLU 151.A OE1 no hydrogen 2.817 N/A LYS 109.A NZ.A GLU 151.A OE2 no hydrogen 3.227 N/A LYS 109.A NZ.B GLU 151.A OE1 no hydrogen 2.884 N/A LYS 110.A N ASP 107.A O no hydrogen 3.018 N/A ILE 111.A N ASP 107.A O no hydrogen 3.472 N/A THR 112.A N LEU 108.A O no hydrogen 2.961 N/A THR 112.A OG1 LEU 108.A O no hydrogen 3.205 N/A THR 112.A OG1 LYS 109.A O no hydrogen 3.466 N/A ASN 113.A N LYS 109.A O no hydrogen 2.867 N/A PHE 114.A N ILE 111.A O no hydrogen 3.376 N/A PHE 115.A N THR 112.A O no hydrogen 2.950 N/A ARG 116.A N ASN 113.A O no hydrogen 3.184 N/A ARG 116.A NE ASP 118.A OD1 no hydrogen 3.031 N/A ARG 116.A NH2 ASP 118.A OD1 no hydrogen 3.485 N/A ARG 116.A NH2 ASP 118.A OD2 no hydrogen 2.976 N/A GLY 117.A N VAL 150.A O no hydrogen 3.158 N/A ARG 119.A N ARG 116.A O no hydrogen 2.904 N/A CYS 120.A N ARG 116.A O no hydrogen 2.949 N/A CYS 120.A SG SER 76.A O no hydrogen 3.380 N/A LEU 123.A N CYS 120.A O no hydrogen 3.028 N/A THR 124.A N ARG 121.A O no hydrogen 3.222 N/A THR 124.A OG1 GLY 117.A O no hydrogen 2.720 N/A THR 124.A OG1 CYS 120.A O no hydrogen 3.460 N/A THR 124.A OG1 ARG 121.A O no hydrogen 3.090 N/A LYS 126.A N LEU 123.A O no hydrogen 2.945 N/A LYS 126.A NZ HIS 80.A O no hydrogen 2.923 N/A LYS 126.A NZ SER 81.A O no hydrogen 3.294 N/A LYS 126.A NZ ARG 83.A O no hydrogen 2.791 N/A LYS 126.A NZ SER 122.A O no hydrogen 2.971 N/A LYS 128.A N ASP 153.A O no hydrogen 2.882 N/A LYS 128.A NZ LEU 123.A O no hydrogen 2.804 N/A LYS 128.A NZ LYS 126.A O no hydrogen 2.822 N/A LEU 129.A N PHE 86.A O no hydrogen 2.841 N/A PHE 130.A N LEU 155.A O no hydrogen 2.799 N/A ILE 131.A N CYS 88.A O no hydrogen 2.818 N/A ILE 132.A N ALA 157.A O no hydrogen 2.932 N/A GLN 133.A N LEU 90.A O no hydrogen 2.870 N/A GLN 133.A NE2 SER 166.A OG no hydrogen 2.983 N/A CYS 135.A SG SER 166.A O no hydrogen 3.860 N/A ARG 136.A N TYR 164.A O no hydrogen 2.841 N/A ARG 136.A NH1 THR 160.A O no hydrogen 3.070 N/A ARG 136.A NH2 GLU 96.A OE2 no hydrogen 2.908 N/A GLU 139.A N GLY 163.A O no hydrogen 2.948 N/A CYS 142.A SG GLY 143.A O no hydrogen 3.497 N/A GLY 143.A N ASP 141.A OD1 no hydrogen 3.022 N/A ALA 152.A N PRO 149.A O no hydrogen 3.117 N/A ASP 153.A N MET 229.A O no hydrogen 2.840 N/A LEU 155.A N LYS 128.A O no hydrogen 2.920 N/A TYR 156.A N VAL 227.A O no hydrogen 2.795 N/A ALA 157.A N PHE 130.A O no hydrogen 2.785 N/A TYR 158.A N CYS 225.A O no hydrogen 2.972 N/A SER 159.A N ILE 132.A O no hydrogen 2.955 N/A SER 159.A OG ILE 132.A O no hydrogen 3.350 N/A SER 159.A OG SER 166.A OG no hydrogen 2.751 N/A THR 160.A OG1 TYR 165.A O no hydrogen 2.801 N/A GLY 163.A N GLU 96.A OE1 no hydrogen 3.084 N/A TYR 164.A N ALA 161.A O no hydrogen 3.133 N/A TYR 165.A N GLU 139.A O no hydrogen 2.892 N/A SER 166.A OG SER 159.A OG no hydrogen 2.751 N/A TRP 167.A N GLN 222.A OE1 no hydrogen 2.722 N/A ARG 168.A NH2 SER 37.A O no hydrogen 2.830 N/A ASN 169.A N GLY 173.A O no hydrogen 2.896 N/A LYS 171.A N ASN 169.A OD1 no hydrogen 2.927 N/A LYS 171.A NZ ASP 172.A OD1 no hydrogen 2.558 N/A ASP 172.A N ASN 169.A OD1 no hydrogen 2.878 N/A GLY 173.A N ASN 169.A O no hydrogen 2.867 N/A SER 174.A N ASP 42.A OD1 no hydrogen 2.890 N/A SER 174.A N ASP 42.A OD2 no hydrogen 3.210 N/A SER 174.A OG ASP 42.A OD2 no hydrogen 2.672 N/A TRP 175.A N TRP 167.A O no hydrogen 3.284 N/A ILE 177.A N SER 174.A OG no hydrogen 3.096 N/A GLN 178.A N SER 174.A O no hydrogen 2.962 N/A GLN 178.A NE2.A GLY 173.A O no hydrogen 2.918 N/A GLN 178.A NE2.A SER 174.A O no hydrogen 3.487 N/A GLN 178.A NE2.B ASP 42.A OD1 no hydrogen 2.924 N/A SER 179.A N TRP 175.A O no hydrogen 3.078 N/A SER 179.A OG TRP 175.A O no hydrogen 2.792 N/A LEU 180.A N PHE 176.A O no hydrogen 2.786 N/A CYS 181.A N ILE 177.A O no hydrogen 2.959 N/A CYS 181.A SG THR 49.A OG1 no hydrogen 3.415 N/A CYS 181.A SG ILE 177.A O no hydrogen 3.460 N/A ALA 182.A N GLN 178.A O no hydrogen 3.142 N/A MET 183.A N SER 179.A O no hydrogen 2.951 N/A LEU 184.A N LEU 180.A O no hydrogen 2.932 N/A LYS 185.A N CYS 181.A O no hydrogen 2.902 N/A GLN 186.A N ALA 182.A O no hydrogen 3.073 N/A TYR 187.A N MET 183.A O no hydrogen 2.850 N/A ALA 188.A N LEU 184.A O no hydrogen 2.960 N/A LYS 190.A N TYR 187.A O no hydrogen 2.866 N/A LYS 190.A NZ GLN 186.A O no hydrogen 2.943 N/A LYS 190.A NZ ASP 189.A OD1 no hydrogen 2.775 N/A LYS 190.A NZ ASP 189.A OD2 no hydrogen 3.500 N/A LEU 191.A N TYR 187.A O no hydrogen 2.861 N/A PHE 193.A N LEU 234.A O no hydrogen 2.839 N/A MET 194.A N GLU 192.A OE1 no hydrogen 2.829 N/A ILE 196.A N GLU 192.A O no hydrogen 3.062 N/A LEU 197.A N PHE 193.A O no hydrogen 2.890 N/A THR 198.A N MET 194.A O no hydrogen 2.926 N/A THR 198.A OG1 MET 194.A O no hydrogen 2.826 N/A ARG 199.A N HIS 195.A O no hydrogen 3.101 N/A VAL 200.A N ILE 196.A O no hydrogen 2.974 N/A ASN 201.A N LEU 197.A O no hydrogen 2.876 N/A ARG 202.A N THR 198.A O no hydrogen 3.015 N/A LYS 203.A N ARG 199.A O no hydrogen 2.918 N/A LYS 203.A NZ GLU 207.A OE1 no hydrogen 2.703 N/A LYS 203.A NZ GLU 207.A OE2 no hydrogen 3.525 N/A VAL 204.A N VAL 200.A O no hydrogen 2.955 N/A ALA 205.A N ASN 201.A O no hydrogen 2.972 N/A THR 206.A N ARG 202.A O no hydrogen 2.915 N/A THR 206.A OG1 ARG 202.A O no hydrogen 2.717 N/A GLU 207.A N LYS 203.A O no hydrogen 2.936 N/A SER 210.A N LYS 220.A O no hydrogen 2.918 N/A SER 210.A OG PHE 217.A O no hydrogen 2.734 N/A SER 212.A N HIS 218.A ND1 no hydrogen 3.108 N/A SER 212.A OG ASP 214.A O no hydrogen 3.377 N/A ASP 214.A N SER 212.A OG no hydrogen 2.960 N/A THR 216.A N ASP 214.A OD1 no hydrogen 2.962 N/A THR 216.A OG1 ASP 214.A OD1 no hydrogen 3.563 N/A PHE 217.A N ASP 214.A O no hydrogen 2.918 N/A HIS 218.A N ALA 215.A O no hydrogen 3.418 N/A ALA 219.A N SER 210.A O no hydrogen 2.952 N/A LYS 220.A N SER 210.A OG no hydrogen 2.872 N/A LYS 221.A N ASP 141.A O no hydrogen 2.773 N/A LYS 221.A NZ ALA 205.A O no hydrogen 2.780 N/A LYS 221.A NZ PHE 208.A O no hydrogen 2.872 N/A GLN 222.A NE2 SER 159.A O no hydrogen 2.795 N/A CYS 225.A N TYR 158.A O no hydrogen 3.005 N/A VAL 227.A N TYR 156.A O no hydrogen 2.817 N/A MET 229.A N PHE 154.A O no hydrogen 2.837 N/A LEU 230.A N SER 228.A OG no hydrogen 3.020 N/A THR 231.A N TYR 9.A OH no hydrogen 2.949 N/A THR 231.A OG1 ASP 153.A OD1 no hydrogen 2.752 N/A GLU 233.A N ASN 7.A O no hydrogen 2.918 N/A LEU 234.A N GLU 192.A OE2 no hydrogen 2.770 N/A TYR 235.A OH GLU 233.A OE1 no hydrogen 2.671 N/A