Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4irq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A NE2 TYR 48.A OH no hydrogen 2.611 N/A GLU 4.A N HIS 45.A O no hydrogen 2.958 N/A SER 8.A N ASP 6.A OD2 no hydrogen 2.955 N/A SER 8.A OG ASP 6.A OD2 no hydrogen 2.733 N/A TRP 9.A N ASP 6.A O no hydrogen 3.226 N/A ARG 13.A N ASP 76.A OD2 no hydrogen 2.885 N/A ARG 13.A NE GLU 5.A OE1 no hydrogen 2.993 N/A ARG 13.A NH2 GLU 5.A OE1 no hydrogen 2.917 N/A ARG 13.A NH2 GLU 5.A OE2 no hydrogen 3.026 N/A LEU 14.A N ARG 44.A O no hydrogen 2.684 N/A ALA 15.A N TYR 77.A O no hydrogen 2.705 N/A VAL 16.A N HIS 46.A O no hydrogen 2.824 N/A LEU 17.A N ALA 79.A O no hydrogen 2.790 N/A VAL 18.A N TYR 48.A O no hydrogen 2.923 N/A PHE 20.A N LEU 50.A O no hydrogen 2.827 N/A ARG 21.A NE GLN 52.A O no hydrogen 3.119 N/A ARG 21.A NH1 PHE 56.A O no hydrogen 2.791 N/A ARG 21.A NH2 GLN 52.A O no hydrogen 3.548 N/A ARG 21.A NH2 PHE 56.A O no hydrogen 2.880 N/A ARG 23.A NH1 GLU 22.A O no hydrogen 3.040 N/A GLU 26.A N GLU 26.A OE1 no hydrogen 2.745 N/A LEU 27.A N ARG 23.A O no hydrogen 2.866 N/A LEU 28.A N PHE 24.A O no hydrogen 3.063 N/A VAL 29.A N GLU 25.A O no hydrogen 3.441 N/A PHE 30.A N GLU 26.A O no hydrogen 2.816 N/A VAL 31.A N LEU 27.A O no hydrogen 3.188 N/A HIS 33.A N VAL 29.A O no hydrogen 3.280 N/A HIS 33.A NE2 PRO 87.A O no hydrogen 2.873 N/A MET 34.A N PHE 30.A O no hydrogen 2.891 N/A ARG 35.A N VAL 31.A O no hydrogen 2.982 N/A ARG 35.A NH1 GLU 4.A OE1 no hydrogen 2.397 N/A ARG 36.A N PRO 32.A O no hydrogen 2.928 N/A PHE 37.A N HIS 33.A O no hydrogen 2.898 N/A LEU 38.A N MET 34.A O no hydrogen 2.906 N/A SER 39.A N ARG 35.A O no hydrogen 2.963 N/A SER 39.A OG ARG 35.A O no hydrogen 2.817 N/A ARG 40.A N ARG 36.A O no hydrogen 3.016 N/A ARG 40.A NE GLU 90.A OE1 no hydrogen 2.545 N/A ARG 40.A NH2 GLU 90.A OE1 no hydrogen 3.238 N/A ARG 40.A NH2 GLU 90.A OE2 no hydrogen 3.050 N/A LYS 41.A N PHE 37.A O no hydrogen 3.328 N/A LYS 41.A N LEU 38.A O no hydrogen 3.222 N/A LYS 41.A NZ GLU 90.A O no hydrogen 2.712 N/A LYS 41.A NZ LEU 92.A O no hydrogen 2.810 N/A LYS 42.A N SER 39.A O no hydrogen 2.918 N/A ILE 43.A N LEU 38.A O no hydrogen 3.008 N/A ARG 44.A NE GLU 5.A OE1 no hydrogen 2.922 N/A ARG 44.A NH1 TRP 9.A O no hydrogen 2.856 N/A ARG 44.A NH2 GLU 5.A OE1 no hydrogen 3.309 N/A HIS 45.A N GLU 4.A O no hydrogen 3.150 N/A HIS 45.A ND1 ILE 43.A O no hydrogen 2.804 N/A HIS 46.A N LEU 14.A O no hydrogen 3.114 N/A HIS 46.A ND1 HIS 2.A O no hydrogen 2.694 N/A HIS 46.A NE2 THR 227.A OG1 no hydrogen 2.756 N/A TYR 48.A N VAL 16.A O no hydrogen 2.785 N/A VAL 49.A N THR 227.A O no hydrogen 2.833 N/A LEU 50.A N VAL 18.A O no hydrogen 2.754 N/A ASN 51.A N LEU 229.A O no hydrogen 2.848 N/A ASN 51.A ND2 ASN 230.A OD1 no hydrogen 2.899 N/A GLN 52.A N PHE 20.A O no hydrogen 2.792 N/A GLN 52.A NE2 ASP 54.A OD1 no hydrogen 2.913 N/A GLN 52.A NE2 ARG 57.A O no hydrogen 2.808 N/A VAL 53.A N ILE 231.A O no hydrogen 2.972 N/A PHE 56.A N ASP 54.A OD1 no hydrogen 3.036 N/A ARG 57.A N CYS 243.A O no hydrogen 2.849 N/A ARG 57.A NE TRP 242.A O no hydrogen 2.869 N/A ARG 57.A NH1 ASP 186.A OD2 no hydrogen 2.710 N/A ARG 57.A NH2 LYS 188.A O no hydrogen 3.341 N/A ARG 57.A NH2 TRP 242.A O no hydrogen 3.295 N/A ASN 59.A N GLN 52.A OE1 no hydrogen 2.759 N/A ASN 59.A ND2 ASN 138.A O no hydrogen 3.052 N/A ARG 60.A NE ASP 82.A OD1 no hydrogen 2.884 N/A ARG 60.A NH1 GLU 146.A OE2 no hydrogen 2.891 N/A ARG 60.A NH2 ASP 82.A OD1 no hydrogen 3.233 N/A ARG 60.A NH2 GLY 121.A O no hydrogen 3.492 N/A ALA 62.A N ASN 59.A OD1 no hydrogen 2.921 N/A LEU 63.A N ASN 59.A O no hydrogen 3.124 N/A ILE 64.A N ARG 60.A O no hydrogen 3.088 N/A ASN 65.A N ALA 61.A O no hydrogen 3.039 N/A ASN 65.A ND2 MET 136.A O no hydrogen 2.703 N/A ASN 65.A ND2 ASN 138.A OD1 no hydrogen 2.877 N/A VAL 66.A N ALA 62.A O no hydrogen 3.090 N/A GLY 67.A N LEU 63.A O no hydrogen 2.909 N/A PHE 68.A N ILE 64.A O no hydrogen 2.929 N/A LEU 69.A N ASN 65.A O no hydrogen 3.223 N/A GLU 70.A N VAL 66.A O no hydrogen 2.812 N/A GLU 70.A N GLY 67.A O no hydrogen 3.249 N/A SER 71.A OG GLY 67.A O no hydrogen 2.230 N/A SER 71.A OG PHE 68.A O no hydrogen 3.223 N/A SER 72.A N TYR 48.A OH no hydrogen 2.978 N/A SER 72.A OG SER 74.A OG no hydrogen 3.039 N/A SER 74.A N SER 72.A OG no hydrogen 3.111 N/A SER 74.A OG SER 72.A OG no hydrogen 3.039 N/A THR 75.A N SER 72.A O no hydrogen 2.973 N/A ASP 76.A N ARG 13.A O no hydrogen 2.792 N/A TYR 77.A N ARG 13.A O no hydrogen 3.211 N/A TYR 77.A OH TYR 94.A O no hydrogen 2.659 N/A ILE 78.A N LEU 125.A O no hydrogen 2.929 N/A ALA 79.A N ALA 15.A O no hydrogen 2.948 N/A MET 80.A N LEU 123.A O no hydrogen 2.992 N/A HIS 81.A N LEU 17.A O no hydrogen 2.962 N/A HIS 81.A ND1 ASP 82.A O no hydrogen 3.035 N/A HIS 81.A NE2 TYR 94.A OH no hydrogen 2.730 N/A ASP 82.A N GLY 121.A O no hydrogen 2.858 N/A LEU 86.A N ARG 175.A O no hydrogen 3.031 N/A LEU 88.A N THR 173.A O no hydrogen 2.853 N/A ASN 89.A ND2 THR 169.A OG1 no hydrogen 3.033 N/A GLU 91.A N ASN 89.A OD1 no hydrogen 2.888 N/A LEU 92.A N ASN 89.A O no hydrogen 3.417 N/A TYR 94.A OH HIS 81.A NE2 no hydrogen 2.730 N/A GLY 95.A N ASP 93.A OD1 no hydrogen 2.870 N/A GLU 98.A N PHE 96.A O no hydrogen 3.037 N/A GLY 100.A N PRO 97.A O no hydrogen 3.384 N/A PHE 102.A N LEU 124.A O no hydrogen 2.918 N/A HIS 103.A N PHE 162.A O no hydrogen 2.742 N/A HIS 103.A NE2 GLY 120.A O no hydrogen 2.938 N/A ALA 105.A N ILE 122.A O no hydrogen 3.366 N/A SER 106.A N VAL 104.A O no hydrogen 2.824 N/A GLU 108.A N SER 106.A OG no hydrogen 3.043 N/A LEU 109.A N SER 106.A O no hydrogen 2.775 N/A HIS 110.A N SER 106.A O no hydrogen 2.706 N/A LEU 112.A N HIS 110.A ND1 no hydrogen 3.001 N/A TYR 113.A N HIS 110.A ND1 no hydrogen 3.202 N/A HIS 114.A NE2 HIS 110.A O no hydrogen 2.740 N/A TYR 115.A OH ASP 148.A OD1 no hydrogen 2.727 N/A TYR 118.A N TYR 115.A O no hydrogen 3.008 N/A ILE 122.A N GLY 120.A O no hydrogen 2.987 N/A LEU 123.A N MET 80.A O no hydrogen 3.016 N/A LEU 124.A N PHE 102.A O no hydrogen 2.745 N/A LEU 125.A N ILE 78.A O no hydrogen 3.001 N/A LYS 127.A N ASP 76.A O no hydrogen 3.102 N/A HIS 129.A N SER 126.A OG no hydrogen 3.013 N/A TYR 130.A N SER 126.A O no hydrogen 3.064 N/A TYR 130.A OH ASN 65.A OD1 no hydrogen 2.477 N/A ARG 131.A N LYS 127.A O no hydrogen 3.021 N/A LEU 132.A N GLN 128.A O no hydrogen 2.984 N/A CYS 133.A N TYR 130.A O no hydrogen 3.208 N/A CYS 133.A SG HIS 129.A O no hydrogen 3.379 N/A CYS 133.A SG ARG 153.A O no hydrogen 3.972 N/A ASN 134.A N ARG 131.A O no hydrogen 2.768 N/A ASN 134.A ND2 ASN 207.A OD1 no hydrogen 2.987 N/A GLY 135.A N TYR 130.A O no hydrogen 2.893 N/A MET 136.A N ASN 65.A OD1 no hydrogen 2.972 N/A SER 137.A OG ASP 201.A OD2 no hydrogen 3.162 N/A ASN 138.A ND2 GLY 205.A O no hydrogen 2.796 N/A ASN 138.A ND2 THR 208.A OG1 no hydrogen 3.408 N/A ARG 139.A N SER 137.A OG no hydrogen 3.033 N/A ARG 139.A NE GLU 196.A OE2 no hydrogen 2.936 N/A ARG 139.A NH2 GLU 196.A OE2 no hydrogen 2.554 N/A ARG 139.A NH2 ALA 239.A O no hydrogen 3.200 N/A GLY 142.A N PHE 58.A O no hydrogen 2.987 N/A TRP 143.A N ASP 186.A O no hydrogen 2.812 N/A GLU 146.A N GLU 146.A OE1 no hydrogen 2.754 N/A ASP 148.A N ASP 147.A OD1 no hydrogen 2.708 N/A GLU 149.A N ARG 145.A O no hydrogen 3.096 N/A PHE 150.A N GLU 146.A O no hydrogen 3.143 N/A TYR 151.A N ASP 147.A O no hydrogen 2.873 N/A ARG 152.A N ASP 148.A O no hydrogen 3.395 N/A ARG 152.A NH1 LYS 199.A O no hydrogen 2.866 N/A ARG 152.A NH2 LYS 199.A O no hydrogen 3.472 N/A ARG 153.A N GLU 149.A O no hydrogen 3.055 N/A ARG 153.A NE GLU 149.A OE1 no hydrogen 3.099 N/A ARG 153.A NE GLU 149.A OE2 no hydrogen 2.980 N/A ARG 153.A NH1 CYS 133.A O no hydrogen 3.490 N/A ARG 153.A NH1 GLY 135.A O no hydrogen 3.187 N/A ARG 153.A NH1 GLY 204.A O no hydrogen 2.953 N/A ARG 153.A NH2 GLU 149.A OE1 no hydrogen 3.287 N/A ARG 153.A NH2 GLY 204.A O no hydrogen 2.778 N/A ILE 154.A N PHE 150.A O no hydrogen 2.942 N/A ILE 154.A N TYR 151.A O no hydrogen 3.086 N/A LYS 155.A N TYR 151.A O no hydrogen 2.982 N/A GLY 156.A N ARG 152.A O no hydrogen 2.801 N/A ALA 157.A N ARG 153.A O no hydrogen 3.130 N/A GLY 158.A N LYS 155.A O no hydrogen 2.933 N/A LEU 159.A N ILE 154.A O no hydrogen 3.006 N/A PHE 162.A N PRO 101.A O no hydrogen 2.797 N/A ARG 163.A NE HIS 103.A ND1 no hydrogen 3.194 N/A ARG 163.A NH1 LYS 116.A O no hydrogen 2.791 N/A ARG 163.A NH2 LYS 116.A O no hydrogen 2.746 N/A ARG 163.A NH2 TYR 118.A O no hydrogen 2.674 N/A THR 169.A OG1 THR 173.A OG1 no hydrogen 2.756 N/A LYS 172.A N THR 169.A O no hydrogen 2.925 N/A THR 173.A N GLY 170.A O no hydrogen 3.173 N/A THR 173.A OG1 THR 169.A OG1 no hydrogen 2.756 N/A THR 173.A OG1 GLY 170.A O no hydrogen 2.628 N/A ARG 175.A N LEU 86.A O no hydrogen 2.912 N/A LEU 177.A N ASP 84.A O no hydrogen 3.254 N/A HIS 178.A NE2 ARG 183.A O no hydrogen 3.012 N/A ALA 181.A N ASP 179.A OD1 no hydrogen 2.698 N/A TRP 182.A N ASP 179.A OD1 no hydrogen 3.255 N/A ARG 183.A N ASP 179.A O no hydrogen 2.821 N/A ARG 183.A NE GLU 26.A OE2 no hydrogen 2.874 N/A ARG 183.A NH2 GLU 26.A OE1 no hydrogen 2.881 N/A ARG 183.A NH2 GLU 26.A OE2 no hydrogen 3.343 N/A LYS 184.A NZ ALA 181.A O no hydrogen 2.593 N/A ILE 190.A N GLN 193.A OE1 no hydrogen 2.825 N/A GLN 193.A N ILE 190.A O no hydrogen 3.202 N/A GLN 193.A NE2 TRP 141.A O no hydrogen 3.001 N/A LYS 194.A N ALA 191.A O no hydrogen 3.424 N/A GLN 195.A N ALA 192.A O no hydrogen 3.290 N/A GLN 195.A NE2 ALA 191.A O no hydrogen 3.528 N/A GLU 196.A N ALA 192.A O no hydrogen 3.234 N/A GLN 197.A N GLN 193.A O no hydrogen 3.289 N/A PHE 198.A N GLN 195.A O no hydrogen 3.392 N/A LYS 199.A N GLU 196.A O no hydrogen 3.211 N/A GLU 203.A N ASP 201.A OD1 no hydrogen 3.225 N/A GLU 203.A N GLU 203.A OE1 no hydrogen 3.096 N/A GLY 204.A N ASP 201.A OD1 no hydrogen 3.373 N/A GLY 205.A N THR 208.A OG1 no hydrogen 3.245 N/A LEU 206.A N ASN 134.A O no hydrogen 2.807 N/A ASN 207.A N ASN 134.A OD1 no hydrogen 2.977 N/A THR 208.A N GLY 205.A O no hydrogen 3.144 N/A LYS 210.A NZ THR 208.A O no hydrogen 3.061 N/A TYR 211.A OH GLU 70.A OE2 no hydrogen 2.596 N/A HIS 212.A N MET 232.A O no hydrogen 2.979 N/A ALA 214.A N ASN 230.A O no hydrogen 2.665 N/A ARG 216.A NH1 GLU 70.A OE1 no hydrogen 3.367 N/A ARG 216.A NH2 GLU 70.A OE1 no hydrogen 3.152 N/A THR 217.A N VAL 228.A O no hydrogen 2.901 N/A THR 217.A OG1 ALA 218.A O no hydrogen 3.318 N/A LEU 219.A N CYS 226.A O no hydrogen 3.032 N/A VAL 221.A N ALA 224.A O no hydrogen 2.648 N/A ALA 224.A N VAL 221.A O no hydrogen 3.121 N/A CYS 226.A N LEU 219.A O no hydrogen 2.768 N/A CYS 226.A SG LEU 219.A O no hydrogen 3.793 N/A THR 227.A N ILE 47.A O no hydrogen 2.962 N/A THR 227.A OG1 HIS 46.A NE2 no hydrogen 2.756 N/A VAL 228.A N THR 217.A O no hydrogen 2.978 N/A LEU 229.A N VAL 49.A O no hydrogen 2.791 N/A ASN 230.A N SER 215.A O no hydrogen 2.820 N/A ILE 231.A N ASN 51.A O no hydrogen 2.813 N/A MET 232.A N HIS 212.A O no hydrogen 2.939 N/A LEU 233.A N ASP 54.A OD2 no hydrogen 2.501 N/A ASP 234.A N LYS 210.A O no hydrogen 2.830 N/A CYS 235.A SG THR 240.A O no hydrogen 3.618 N/A ALA 239.A N ASP 236.A OD1 no hydrogen 2.750 N/A THR 240.A N ASP 236.A O no hydrogen 3.188 N/A THR 240.A OG1 ASP 236.A O no hydrogen 3.532 N/A THR 240.A OG1 THR 240.A O no hydrogen 2.624 N/A TRP 242.A NE1 ARG 139.A O no hydrogen 3.047 N/A CYS 243.A N THR 240.A O no hydrogen 3.324 N/A CYS 243.A SG THR 240.A O no hydrogen 3.435 N/A THR 244.A OG1 PRO 241.A O no hydrogen 3.446 N/A SER 246.A OG ASP 186.A OD2 no hydrogen 3.537 N/A