Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4iqi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A NE2 ASN 1.A OD1 no hydrogen 2.872 N/A GLN 2.A NE2 GLN 79.A O no hydrogen 2.469 N/A TYR 3.A N THR 80.A OG1 no hydrogen 2.606 N/A TYR 3.A OH ASP 95.A OD2 no hydrogen 2.736 N/A ASP 4.A N SER 76.A OG no hydrogen 3.065 N/A SER 6.A N ASP 4.A OD1 no hydrogen 3.384 N/A SER 6.A OG ASP 4.A OD1 no hydrogen 2.922 N/A SER 6.A OG ASP 4.A OD2 no hydrogen 3.157 N/A LEU 7.A N ASP 4.A O no hydrogen 3.036 N/A GLN 9.A N SER 69.A OG no hydrogen 2.487 N/A VAL 11.A N LEU 64.A O no hydrogen 2.855 N/A ARG 13.A N ALA 62.A O no hydrogen 2.781 N/A ARG 13.A NE SER 61.A O no hydrogen 2.986 N/A ARG 13.A NE SER 61.A OG no hydrogen 2.931 N/A ARG 13.A NH1 ASP 32.A OD2 no hydrogen 2.874 N/A ARG 13.A NH2 ASP 32.A OD2 no hydrogen 3.120 N/A ARG 13.A NH2 SER 61.A OG no hydrogen 2.922 N/A ARG 17.A N ARG 13.A O no hydrogen 3.259 N/A ARG 17.A NE GLU 208.A OE1 no hydrogen 3.133 N/A ARG 17.A NE GLU 208.A OE2 no hydrogen 3.305 N/A ARG 17.A NH1 ALA 59.A O no hydrogen 3.488 N/A ARG 17.A NH2 ALA 59.A O no hydrogen 2.703 N/A ARG 17.A NH2 GLU 208.A OE2 no hydrogen 2.997 N/A ASN 18.A N SER 14.A O no hydrogen 2.626 N/A ASP 19.A N ASN 16.A O no hydrogen 2.903 N/A LEU 20.A N ASN 16.A O no hydrogen 3.192 N/A LEU 22.A N ARG 17.A O no hydrogen 2.864 N/A SER 23.A OG THR 25.A O no hydrogen 2.849 N/A GLN 29.A N SER 241.A O no hydrogen 2.775 N/A CYS 31.A N PHE 239.A O no hydrogen 3.079 N/A CYS 31.A SG SER 245.A O no hydrogen 3.770 N/A ASP 32.A N ILE 57.A O no hydrogen 2.733 N/A ILE 33.A N ASN 237.A O no hydrogen 3.068 N/A TRP 34.A N VAL 55.A O no hydrogen 2.789 N/A THR 35.A N ASP 235.A O no hydrogen 3.217 N/A THR 35.A OG1 ASP 235.A OD1 no hydrogen 2.909 N/A LEU 36.A N GLY 53.A O no hydrogen 2.756 N/A TYR 37.A N GLY 233.A O no hydrogen 2.915 N/A TYR 37.A OH ASP 235.A OD2 no hydrogen 2.686 N/A SER 40.A OG GLN 49.A O no hydrogen 2.743 N/A TRP 41.A N GLN 49.A O no hydrogen 3.159 N/A LEU 42.A N THR 80.A O no hydrogen 3.077 N/A ASN 43.A N LEU 47.A O no hydrogen 2.860 N/A GLN 44.A NE2 GLN 44.A O no hydrogen 3.458 N/A LYS 45.A N ASN 43.A OD1 no hydrogen 2.799 N/A GLY 46.A N ASN 43.A O no hydrogen 2.918 N/A LEU 47.A N ASN 43.A OD1 no hydrogen 3.111 N/A GLN 49.A N TRP 41.A O no hydrogen 2.718 N/A GLN 49.A NE2 LEU 47.A O no hydrogen 3.488 N/A GLN 49.A NE2 PRO 48.A O no hydrogen 2.985 N/A ALA 51.A N LEU 39.A O no hydrogen 3.018 N/A ILE 52.A N LYS 109.A O no hydrogen 2.934 N/A GLY 53.A N LEU 36.A O no hydrogen 2.952 N/A GLU 54.A N.A ASN 107.A O.A no hydrogen 3.023 N/A GLU 54.A N.A ASN 107.A O.B no hydrogen 2.904 N/A GLU 54.A N.B ASN 107.A O.A no hydrogen 2.988 N/A GLU 54.A N.B ASN 107.A O.B no hydrogen 2.872 N/A VAL 55.A N TRP 34.A O no hydrogen 2.838 N/A SER 56.A N THR 105.A O.A no hydrogen 3.035 N/A SER 56.A N THR 105.A O.B no hydrogen 2.949 N/A ILE 57.A N ASP 32.A O no hydrogen 2.987 N/A ALA 59.A N GLY 30.A O no hydrogen 2.845 N/A THR 60.A OG1 GLU 102.A OE1 no hydrogen 3.086 N/A SER 61.A N PRO 58.A O no hydrogen 3.150 N/A SER 61.A OG PRO 58.A O no hydrogen 3.001 N/A SER 61.A OG ASN 63.A O no hydrogen 2.905 N/A ASN 63.A N ALA 100.A O no hydrogen 2.990 N/A ASN 63.A ND2 CYS 99.A O no hydrogen 3.054 N/A ASN 63.A ND2 ALA 100.A O no hydrogen 3.540 N/A LEU 64.A N VAL 11.A O no hydrogen 2.900 N/A GLU 66.A N GLN 9.A O no hydrogen 2.516 N/A LYS 68.A N GLU 66.A OE2 no hydrogen 2.740 N/A SER 69.A N GLU 66.A OE1 no hydrogen 2.880 N/A SER 69.A OG GLN 9.A O no hydrogen 3.450 N/A SER 69.A OG GLU 66.A O no hydrogen 2.678 N/A PHE 70.A N GLU 66.A O no hydrogen 2.929 N/A LYS 71.A N SER 67.A O no hydrogen 3.021 N/A LYS 71.A NZ GLY 232.A O no hydrogen 3.150 N/A LEU 72.A N LYS 68.A O no hydrogen 3.124 N/A TYR 73.A N SER 69.A O no hydrogen 2.866 N/A TYR 73.A OH ASP 95.A OD2 no hydrogen 2.435 N/A LEU 74.A N PHE 70.A O no hydrogen 3.032 N/A ASN 75.A N LYS 71.A O no hydrogen 3.044 N/A SER 76.A N LEU 72.A O no hydrogen 3.120 N/A SER 76.A N TYR 73.A O no hydrogen 3.213 N/A SER 76.A OG TYR 73.A O no hydrogen 2.865 N/A TYR 77.A N LEU 74.A O no hydrogen 3.132 N/A TYR 77.A OH TYR 73.A OH no hydrogen 2.870 N/A ASN 78.A N ASN 75.A O no hydrogen 2.853 N/A ASN 78.A ND2 SER 40.A O no hydrogen 2.964 N/A THR 80.A N TYR 77.A O no hydrogen 3.076 N/A THR 80.A OG1 ASN 1.A O no hydrogen 3.522 N/A THR 80.A OG1 SER 76.A O no hydrogen 2.834 N/A ARG 81.A NH2 GLN 44.A O no hydrogen 2.839 N/A PHE 82.A N LEU 42.A O no hydrogen 2.964 N/A ALA 83.A N GLU 87.A OE2 no hydrogen 2.836 N/A TRP 85.A NE1 GLN 49.A OE1 no hydrogen 2.910 N/A GLU 87.A N SER 84.A OG no hydrogen 3.270 N/A VAL 88.A N SER 84.A O no hydrogen 3.462 N/A GLN 89.A N TRP 85.A O no hydrogen 2.983 N/A THR 90.A N ASP 86.A O no hydrogen 2.879 N/A THR 90.A OG1 ASP 86.A O no hydrogen 3.022 N/A ARG 91.A N GLU 87.A O no hydrogen 3.012 N/A ARG 91.A NE TYR 3.A OH no hydrogen 2.859 N/A LEU 92.A N VAL 88.A O no hydrogen 3.033 N/A VAL 93.A N GLN 89.A O no hydrogen 2.916 N/A HIS 94.A N THR 90.A O no hydrogen 2.933 N/A HIS 94.A ND1 ASP 95.A OD1 no hydrogen 3.061 N/A ASP 95.A N ARG 91.A O no hydrogen 2.914 N/A LEU 96.A N LEU 92.A O no hydrogen 2.965 N/A SER 97.A N VAL 93.A O no hydrogen 3.011 N/A SER 97.A OG VAL 93.A O no hydrogen 2.679 N/A ALA 98.A N HIS 94.A O no hydrogen 2.887 N/A CYS 99.A N ASP 95.A O no hydrogen 2.897 N/A ALA 100.A N LEU 96.A O no hydrogen 2.958 N/A GLY 101.A N SER 97.A O no hydrogen 2.729 N/A VAL 104.A N SER 97.A OG no hydrogen 2.941 N/A THR 105.A N.A SER 56.A O no hydrogen 3.067 N/A THR 105.A N.B SER 56.A O no hydrogen 3.049 N/A ASN 107.A N.A GLU 54.A O.A no hydrogen 2.913 N/A ASN 107.A N.A GLU 54.A O.B no hydrogen 2.875 N/A ASN 107.A N.B GLU 54.A O.A no hydrogen 2.890 N/A ASN 107.A N.B GLU 54.A O.B no hydrogen 2.857 N/A VAL 108.A N GLN 89.A OE1 no hydrogen 3.208 N/A LYS 109.A N ILE 52.A O no hydrogen 2.760 N/A LYS 109.A NZ GLU 54.A OE1.B no hydrogen 3.476 N/A LYS 109.A NZ GLU 54.A OE2.B no hydrogen 2.647 N/A LYS 109.A NZ TYR 114.A OH no hydrogen 3.564 N/A SER 110.A N GLU 113.A OE2 no hydrogen 2.878 N/A SER 110.A OG GLU 113.A OE2 no hydrogen 3.231 N/A GLU 113.A N SER 110.A O no hydrogen 2.995 N/A TYR 114.A N LEU 111.A O no hydrogen 3.060 N/A TYR 114.A OH GLU 54.A OE2.A no hydrogen 2.874 N/A TYR 114.A OH GLU 54.A OE2.B no hydrogen 2.980 N/A THR 115.A N ASN 112.A O no hydrogen 3.063 N/A THR 115.A OG1 ASN 112.A O no hydrogen 3.234 N/A GLU 117.A N TYR 114.A O no hydrogen 2.953 N/A VAL 120.A N ARG 252.A O no hydrogen 3.023 N/A GLN 122.A N.A GLU 177.A OE1 no hydrogen 2.844 N/A GLN 122.A N.B GLU 177.A OE1 no hydrogen 2.907 N/A GLN 122.A NE2.A GLU 177.A OE1 no hydrogen 3.413 N/A GLN 122.A NE2.A GLU 177.A OE2 no hydrogen 2.695 N/A GLU 124.A N VAL 155.A O no hydrogen 2.952 N/A CYS 125.A SG ASP 127.A OD2 no hydrogen 3.340 N/A CYS 125.A SG HIS 157.A O no hydrogen 3.967 N/A ILE 126.A N HIS 157.A O no hydrogen 2.955 N/A GLN 129.A NE2 ILE 126.A O no hydrogen 2.840 N/A GLN 129.A NE2 ARG 186.A O no hydrogen 3.042 N/A ASN 135.A ND2 GLU 137.A O no hydrogen 2.682 N/A ALA 141.A N ASP 139.A OD1 no hydrogen 3.051 N/A LEU 142.A N ASP 139.A O no hydrogen 3.015 N/A LEU 143.A N ASP 140.A O no hydrogen 3.167 N/A GLN 144.A N ALA 141.A O no hydrogen 2.947 N/A ALA 146.A N LEU 143.A O no hydrogen 2.998 N/A GLN 148.A N LYS 184.A O no hydrogen 3.307 N/A GLN 148.A NE2 GLY 145.A O no hydrogen 2.934 N/A VAL 152.A N GLY 182.A O no hydrogen 2.812 N/A GLU 154.A N TYR 180.A O no hydrogen 2.967 N/A LEU 156.A N ILE 178.A O no hydrogen 2.900 N/A HIS 157.A N GLU 124.A O no hydrogen 2.839 N/A HIS 157.A ND1 GLN 122.A O.A no hydrogen 2.710 N/A HIS 157.A ND1 GLN 122.A O.B no hydrogen 2.911 N/A SER 158.A N VAL 176.A O no hydrogen 2.991 N/A SER 158.A OG ASP 127.A OD1 no hydrogen 2.544 N/A HIS 159.A N ASP 127.A OD2 no hydrogen 2.944 N/A HIS 159.A ND1 SER 175.A OG no hydrogen 2.728 N/A LEU 160.A N SER 158.A OG no hydrogen 3.030 N/A LYS 162.A NZ ASN 164.A OD1 no hydrogen 3.570 N/A LYS 162.A NZ GLU 198.A OE1 no hydrogen 3.052 N/A SER 163.A N ASP 172.A O no hydrogen 3.096 N/A ASN 164.A N HIS 199.A O no hydrogen 3.011 N/A ASN 164.A ND2 ASN 169.A OD1 no hydrogen 2.896 N/A CYS 165.A N GLN 170.A O no hydrogen 3.110 N/A ASN 169.A N CYS 165.A O no hydrogen 2.838 N/A ASP 172.A N SER 163.A O no hydrogen 2.595 N/A GLY 174.A N LEU 161.A O no hydrogen 2.858 N/A SER 175.A N ARG 227.A O no hydrogen 3.045 N/A SER 175.A OG HIS 159.A ND1 no hydrogen 2.728 N/A VAL 176.A N SER 158.A O no hydrogen 2.909 N/A GLU 177.A N TYR 225.A O no hydrogen 2.691 N/A ILE 178.A N LEU 156.A O no hydrogen 2.802 N/A ALA 179.A N THR 223.A O no hydrogen 2.924 N/A TYR 180.A N GLU 154.A O no hydrogen 2.952 N/A TYR 180.A OH GLU 154.A OE1 no hydrogen 2.357 N/A HIS 181.A N SER 221.A O no hydrogen 3.171 N/A GLY 182.A N VAL 152.A O no hydrogen 2.869 N/A LYS 184.A N GLU 150.A O no hydrogen 2.962 N/A LYS 184.A NZ GLU 154.A OE2 no hydrogen 3.104 N/A ARG 186.A NH1 GLU 124.A OE1 no hydrogen 3.172 N/A ARG 186.A NH2 GLU 124.A OE1 no hydrogen 3.268 N/A ARG 186.A NH2 GLU 124.A OE2 no hydrogen 3.413 N/A ARG 186.A NH2 GLU 154.A OE2 no hydrogen 2.841 N/A ALA 188.A N ASN 185.A OD1 no hydrogen 3.110 N/A LEU 189.A N ASN 185.A O no hydrogen 3.068 N/A LEU 190.A N ARG 186.A O no hydrogen 2.965 N/A ARG 191.A N GLU 187.A O no hydrogen 2.861 N/A ARG 191.A NE GLU 187.A OE2 no hydrogen 2.589 N/A ARG 191.A NH1 GLU 132.A O no hydrogen 2.664 N/A ARG 191.A NH2 GLU 132.A O no hydrogen 2.990 N/A ARG 191.A NH2 GLU 187.A OE2 no hydrogen 2.826 N/A TYR 192.A N ALA 188.A O no hydrogen 2.791 N/A TYR 192.A OH ASP 213.A OD2 no hydrogen 2.653 N/A LEU 193.A N LEU 189.A O no hydrogen 2.936 N/A VAL 194.A N LEU 190.A O no hydrogen 2.931 N/A SER 195.A N ARG 191.A O no hydrogen 2.936 N/A SER 195.A N TYR 192.A O no hydrogen 3.274 N/A SER 195.A OG TYR 192.A O no hydrogen 2.807 N/A PHE 196.A N LEU 193.A O no hydrogen 3.228 N/A ARG 197.A N VAL 194.A O no hydrogen 2.909 N/A GLU 198.A N TYR 136.A O no hydrogen 3.120 N/A HIS 199.A N PHE 196.A O no hydrogen 2.968 N/A ASN 200.A ND2 ASN 169.A OD1 no hydrogen 3.306 N/A GLU 201.A N ASN 164.A O no hydrogen 3.097 N/A GLU 204.A N GLU 204.A OE1 no hydrogen 2.772 N/A GLN 205.A N GLN 205.A OE1 no hydrogen 2.646 N/A CYS 206.A N PHE 202.A O no hydrogen 2.601 N/A VAL 207.A N HIS 203.A O no hydrogen 3.030 N/A GLU 208.A N GLU 204.A O no hydrogen 3.030 N/A ARG 209.A N.A GLN 205.A O no hydrogen 2.912 N/A ARG 209.A N.B GLN 205.A O no hydrogen 2.909 N/A ARG 209.A N.B CYS 206.A O no hydrogen 3.091 N/A ARG 209.A NE.A ASP 213.A OD1 no hydrogen 2.813 N/A ARG 209.A NE.B GLU 201.A OE2 no hydrogen 3.534 N/A ARG 209.A NH1.B GLU 201.A OE2 no hydrogen 3.421 N/A ILE 210.A N CYS 206.A O no hydrogen 2.963 N/A PHE 211.A N VAL 207.A O no hydrogen 2.982 N/A THR 212.A N GLU 208.A O no hydrogen 3.021 N/A THR 212.A OG1 GLU 208.A O no hydrogen 3.319 N/A THR 212.A OG1 ARG 209.A O.A no hydrogen 3.327 N/A THR 212.A OG1 ARG 209.A O.B no hydrogen 3.351 N/A ASP 213.A N ARG 209.A O.A no hydrogen 2.932 N/A ASP 213.A N ARG 209.A O.B no hydrogen 2.998 N/A ILE 214.A N ILE 210.A O no hydrogen 3.003 N/A ARG 215.A NE.A ASP 213.A OD1 no hydrogen 3.079 N/A ARG 215.A NH2.A ASP 140.A OD2 no hydrogen 2.857 N/A ARG 215.A NH2.A ASP 213.A OD1 no hydrogen 2.613 N/A TYR 216.A N ASP 213.A O no hydrogen 2.848 N/A TYR 216.A OH ASP 140.A OD2 no hydrogen 2.829 N/A CYS 217.A N ILE 214.A O no hydrogen 2.807 N/A GLN 218.A N ILE 214.A O no hydrogen 3.278 N/A GLN 220.A N HIS 181.A O no hydrogen 2.821 N/A SER 221.A N HIS 181.A O no hydrogen 3.462 N/A LEU 222.A N SER 242.A OG no hydrogen 2.990 N/A THR 223.A N ALA 179.A O no hydrogen 2.809 N/A THR 223.A OG1 SER 241.A OG no hydrogen 2.795 N/A THR 223.A OG1 GLN 244.A OE1.A no hydrogen 2.530 N/A VAL 224.A N ARG 240.A O no hydrogen 2.826 N/A TYR 225.A N GLU 177.A O no hydrogen 2.931 N/A ALA 226.A N PRO 238.A O no hydrogen 3.032 N/A ARG 227.A N SER 175.A O no hydrogen 2.822 N/A ARG 227.A NE GLN 255.A OE1 no hydrogen 2.862 N/A ARG 227.A NH1 TYR 225.A OH no hydrogen 2.812 N/A ARG 227.A NH1 ASN 250.A OD1 no hydrogen 2.811 N/A ARG 227.A NH2 ASN 250.A OD1 no hydrogen 2.970 N/A ARG 227.A NH2 GLN 255.A OE1 no hydrogen 3.093 N/A TYR 228.A N ILE 236.A O no hydrogen 3.189 N/A THR 229.A N TRP 173.A O no hydrogen 2.910 N/A ARG 230.A NE GLN 255.A O no hydrogen 3.434 N/A ARG 230.A NH2 GLN 255.A O no hydrogen 2.901 N/A ARG 231.A N LEU 234.A O no hydrogen 2.927 N/A ARG 231.A NH1 PRO 171.A O no hydrogen 2.791 N/A LEU 234.A N ARG 231.A O no hydrogen 3.193 N/A ASP 235.A N THR 35.A O no hydrogen 3.062 N/A ASN 237.A N ILE 33.A O no hydrogen 2.821 N/A ASN 237.A ND2 ILE 33.A O no hydrogen 3.001 N/A ASN 237.A ND2 ASP 235.A OD1 no hydrogen 2.914 N/A PHE 239.A N CYS 31.A O no hydrogen 2.913 N/A ARG 240.A N VAL 224.A O no hydrogen 2.805 N/A ARG 240.A NE GLU 208.A OE2 no hydrogen 3.013 N/A ARG 240.A NH1 CYS 31.A O no hydrogen 3.005 N/A ARG 240.A NH1 ASP 32.A OD1 no hydrogen 2.901 N/A ARG 240.A NH1 PHE 239.A O no hydrogen 2.788 N/A ARG 240.A NH2 ASP 32.A OD1 no hydrogen 2.848 N/A ARG 240.A NH2 GLU 208.A OE2 no hydrogen 2.987 N/A SER 241.A N GLN 29.A O no hydrogen 2.876 N/A SER 241.A OG LEU 222.A O no hydrogen 3.540 N/A SER 241.A OG THR 223.A OG1 no hydrogen 2.795 N/A SER 242.A N LEU 222.A O no hydrogen 2.920 N/A SER 242.A OG LEU 222.A O no hydrogen 3.191 N/A HIS 243.A N SER 241.A OG no hydrogen 3.042 N/A GLN 244.A N.A SER 241.A OG no hydrogen 2.912 N/A GLN 244.A N.B SER 241.A OG no hydrogen 2.913 N/A GLN 244.A NE2.B ALA 246.A O no hydrogen 2.459 N/A ASN 250.A ND2 THR 35.A OG1 no hydrogen 3.301 N/A GLN 251.A N HIS 249.A ND1 no hydrogen 2.919 N/A ARG 254.A NH2 SER 175.A OG no hydrogen 2.940 N/A GLN 255.A NE2 TYR 228.A O no hydrogen 2.742 N/A GLN 255.A NE2 ASN 237.A OD1 no hydrogen 2.867 N/A