Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5n4u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 6.A N ILE 23.A O no hydrogen 2.862 N/A GLY 8.A N SER 21.A O no hydrogen 2.523 N/A LEU 11.A N VAL 19.A O no hydrogen 2.741 N/A GLY 12.A N VAL 19.A O no hydrogen 3.326 N/A GLY 14.A N GLY 17.A O no hydrogen 2.938 N/A GLY 17.A N GLY 14.A O no hydrogen 3.152 N/A SER 18.A N HIS 35.A O no hydrogen 3.261 N/A VAL 19.A N GLY 12.A O no hydrogen 2.830 N/A TYR 20.A N ILE 33.A O no hydrogen 2.818 N/A SER 21.A N PRO 9.A O no hydrogen 2.867 N/A GLY 22.A N VAL 31.A O no hydrogen 3.103 N/A ILE 23.A N GLN 6.A O no hydrogen 2.919 N/A ARG 24.A N LEU 29.A O no hydrogen 2.892 N/A ARG 24.A NE ASP 27.A OD1 no hydrogen 2.974 N/A ARG 24.A NH1 ASP 27.A OD2 no hydrogen 3.084 N/A VAL 25.A N GLN 4.A O no hydrogen 3.119 N/A ASP 27.A N ARG 24.A O no hydrogen 3.232 N/A LEU 29.A N ASP 27.A OD1 no hydrogen 3.329 N/A VAL 31.A N GLY 22.A O no hydrogen 3.085 N/A ALA 32.A N LEU 87.A O no hydrogen 2.724 N/A ILE 33.A N TYR 20.A O no hydrogen 2.796 N/A LYS 34.A N LEU 85.A O no hydrogen 2.825 N/A LYS 34.A NZ GLU 56.A OE2 no hydrogen 2.662 N/A LYS 34.A NZ ASP 153.A OD1 no hydrogen 3.432 N/A HIS 35.A N SER 18.A O no hydrogen 2.947 N/A VAL 36.A N PHE 83.A O no hydrogen 2.905 N/A LYS 38.A N ASP 81.A O no hydrogen 2.755 N/A LYS 38.A NZ GLU 78.A OE2 no hydrogen 2.951 N/A LYS 38.A NZ ARG 79.A O no hydrogen 2.613 N/A ARG 40.A N GLU 37.A O no hydrogen 3.023 N/A ILE 41.A N LYS 38.A O no hydrogen 3.209 N/A GLY 45.A N VAL 53.A O no hydrogen 2.774 N/A LEU 47.A N THR 51.A O no hydrogen 3.431 N/A GLY 50.A N LEU 47.A O no hydrogen 2.851 N/A VAL 53.A N GLY 45.A O no hydrogen 3.001 N/A MET 55.A N ASP 43.A O no hydrogen 3.148 N/A VAL 57.A N PRO 54.A O no hydrogen 2.929 N/A VAL 58.A N PRO 54.A O no hydrogen 3.333 N/A LEU 59.A N MET 55.A O no hydrogen 2.839 N/A LEU 60.A N GLU 56.A O no hydrogen 2.979 N/A LYS 61.A N VAL 57.A O no hydrogen 3.079 N/A LYS 62.A N VAL 58.A O no hydrogen 3.192 N/A VAL 63.A N LEU 59.A O no hydrogen 3.144 N/A VAL 63.A N LEU 60.A O no hydrogen 3.194 N/A SER 64.A N LYS 61.A O no hydrogen 3.443 N/A SER 64.A OG LEU 60.A O no hydrogen 2.689 N/A VAL 70.A N SER 68.A OG no hydrogen 3.323 N/A ILE 71.A N LEU 151.A O no hydrogen 3.049 N/A ARG 72.A N GLU 88.A OE1 no hydrogen 3.058 N/A ARG 72.A NE SER 64.A O no hydrogen 3.031 N/A ARG 72.A NH1 SER 64.A O no hydrogen 3.331 N/A LEU 73.A N SER 64.A OG no hydrogen 2.969 N/A LEU 74.A N ILE 86.A O no hydrogen 2.710 N/A TRP 76.A N ASP 75.A OD1 no hydrogen 2.958 N/A PHE 77.A N VAL 84.A O no hydrogen 3.024 N/A ARG 79.A N SER 82.A O no hydrogen 2.737 N/A PHE 83.A N VAL 36.A O no hydrogen 2.966 N/A VAL 84.A N PHE 77.A O no hydrogen 2.987 N/A LEU 85.A N LYS 34.A O no hydrogen 2.684 N/A ILE 86.A N ASP 75.A O no hydrogen 2.968 N/A LEU 87.A N ALA 32.A O no hydrogen 2.789 N/A GLU 88.A N ARG 72.A O no hydrogen 3.084 N/A ARG 89.A NE VAL 31.A O no hydrogen 2.807 N/A ARG 89.A NH2 GLY 22.A O no hydrogen 2.847 N/A GLN 94.A N ILE 142.A O no hydrogen 3.280 N/A LEU 96.A N ILE 140.A O no hydrogen 2.741 N/A ASP 98.A N ASP 95.A OD2 no hydrogen 2.668 N/A PHE 99.A N ASP 95.A O no hydrogen 3.049 N/A ILE 100.A N LEU 96.A O no hydrogen 3.005 N/A THR 101.A N PHE 97.A O no hydrogen 3.050 N/A THR 101.A OG1 PHE 97.A O no hydrogen 2.986 N/A GLU 102.A N ASP 98.A O no hydrogen 3.007 N/A ARG 103.A N PHE 99.A O no hydrogen 2.964 N/A ARG 103.A NH1 HIS 270.A O no hydrogen 3.011 N/A ARG 103.A NH2 HIS 270.A O no hydrogen 2.976 N/A GLY 104.A N ILE 100.A O no hydrogen 2.772 N/A LEU 106.A N MET 202.A O no hydrogen 2.897 N/A LEU 110.A N GLN 107.A O no hydrogen 2.865 N/A ALA 111.A N GLN 107.A O no hydrogen 2.885 N/A ARG 112.A N GLU 108.A O no hydrogen 2.792 N/A ARG 112.A NE TRP 256.A O no hydrogen 2.766 N/A ARG 112.A NH1 TRP 256.A O no hydrogen 3.282 N/A SER 113.A N GLU 109.A O no hydrogen 3.273 N/A SER 113.A OG THR 266.A OG1 no hydrogen 2.600 N/A PHE 114.A N LEU 110.A O no hydrogen 3.056 N/A PHE 115.A N ALA 111.A O no hydrogen 2.789 N/A TRP 116.A N ARG 112.A O no hydrogen 2.842 N/A GLN 117.A N SER 113.A O no hydrogen 3.040 N/A GLN 117.A NE2 GLY 147.A O no hydrogen 2.964 N/A VAL 118.A N PHE 114.A O no hydrogen 2.893 N/A LEU 119.A N PHE 115.A O no hydrogen 2.880 N/A GLU 120.A N TRP 116.A O no hydrogen 2.981 N/A ALA 121.A N GLN 117.A O no hydrogen 3.024 N/A VAL 122.A N VAL 118.A O no hydrogen 2.909 N/A ARG 123.A N LEU 119.A O no hydrogen 2.907 N/A ARG 123.A NH2 GLN 252.A OE1 no hydrogen 2.931 N/A HIS 124.A N GLU 120.A O no hydrogen 2.977 N/A HIS 124.A NE2 VAL 63.A O no hydrogen 3.010 N/A CYS 125.A N ALA 121.A O no hydrogen 2.994 N/A CYS 125.A SG ALA 121.A O no hydrogen 3.489 N/A HIS 126.A N VAL 122.A O no hydrogen 2.916 N/A ASN 127.A N ARG 123.A O no hydrogen 2.770 N/A CYS 128.A N HIS 124.A O no hydrogen 3.077 N/A CYS 128.A SG LYS 62.A O no hydrogen 3.427 N/A CYS 128.A SG HIS 124.A O no hydrogen 3.343 N/A GLY 129.A N HIS 126.A O no hydrogen 3.100 N/A VAL 130.A N CYS 125.A O no hydrogen 2.908 N/A LEU 131.A N ALA 158.A O no hydrogen 2.766 N/A HIS 132.A NE2 ILE 152.A O no hydrogen 2.832 N/A ARG 133.A NE SER 156.A O no hydrogen 2.687 N/A ARG 133.A NH1 SER 156.A O no hydrogen 3.114 N/A ARG 133.A NH1 GLY 157.A O no hydrogen 2.925 N/A ARG 133.A NH1 ASP 167.A OD2 no hydrogen 3.547 N/A ARG 133.A NH2 ASP 167.A OD2 no hydrogen 3.158 N/A ARG 133.A NH2 TYR 185.A OH no hydrogen 3.172 N/A ASP 134.A N HIS 132.A ND1 no hydrogen 2.942 N/A LYS 136.A NZ GLU 138.A OE1 no hydrogen 3.105 N/A LYS 136.A NZ THR 171.A OG1 no hydrogen 2.776 N/A ASP 137.A N TYR 174.A OH no hydrogen 3.531 N/A ASN 139.A N LYS 136.A O no hydrogen 2.922 N/A ASN 139.A ND2 ASP 134.A O no hydrogen 2.868 N/A ASN 139.A ND2 ASP 134.A OD1 no hydrogen 3.042 N/A ILE 140.A N ASP 137.A O no hydrogen 3.227 N/A LEU 141.A N LYS 150.A O no hydrogen 2.769 N/A ILE 142.A N GLN 94.A O no hydrogen 2.843 N/A ASP 143.A N GLU 148.A O no hydrogen 2.834 N/A LEU 144.A N PRO 92.A O no hydrogen 3.173 N/A ASN 145.A N ASP 143.A OD2 no hydrogen 2.981 N/A ARG 146.A N ASP 143.A OD2 no hydrogen 2.981 N/A ARG 146.A NE GLU 148.A OE2 no hydrogen 3.312 N/A ARG 146.A NH2 GLU 148.A OE2 no hydrogen 2.995 N/A GLY 147.A N ASP 143.A O no hydrogen 2.697 N/A LEU 149.A N GLN 117.A OE1 no hydrogen 2.853 N/A LYS 150.A N LEU 141.A O no hydrogen 2.791 N/A LYS 150.A NZ SER 68.A O no hydrogen 2.913 N/A LEU 151.A N GLY 69.A O no hydrogen 2.821 N/A ILE 152.A N ASN 139.A O no hydrogen 2.899 N/A GLY 155.A N ASP 153.A OD1 no hydrogen 3.006 N/A SER 156.A OG ASP 169.A O no hydrogen 3.382 N/A GLY 157.A N PHE 154.A O no hydrogen 2.952 N/A ALA 158.A N LEU 131.A O no hydrogen 2.933 N/A LEU 160.A N GLY 129.A O no hydrogen 2.718 N/A LYS 161.A N TYR 165.A OH no hydrogen 3.038 N/A LYS 161.A NZ VAL 164.A O no hydrogen 3.037 N/A TYR 165.A N TYR 185.A O no hydrogen 2.773 N/A TYR 165.A OH LEU 159.A O no hydrogen 2.702 N/A THR 171.A N ASP 134.A OD2 no hydrogen 3.091 N/A THR 171.A OG1 ASP 134.A OD2 no hydrogen 2.664 N/A ARG 172.A NE ASP 212.A OD2 no hydrogen 2.968 N/A ARG 172.A NH2 ASP 212.A OD1 no hydrogen 2.816 N/A ARG 172.A NH2 ASP 212.A OD2 no hydrogen 3.569 N/A TYR 174.A N THR 171.A O no hydrogen 3.020 N/A SER 175.A N ARG 172.A O no hydrogen 2.877 N/A SER 175.A OG ARG 172.A O no hydrogen 2.691 N/A GLU 178.A N GLU 178.A OE2 no hydrogen 2.718 N/A TRP 179.A N PRO 176.A O no hydrogen 2.924 N/A ILE 180.A N PRO 176.A O no hydrogen 3.154 N/A ARG 181.A N PRO 177.A O no hydrogen 2.825 N/A TYR 182.A N GLU 178.A O no hydrogen 3.009 N/A HIS 183.A N TRP 179.A O no hydrogen 2.954 N/A TYR 185.A N TYR 165.A O no hydrogen 3.142 N/A TYR 185.A OH ASP 167.A O no hydrogen 2.576 N/A ARG 188.A NH2 ASP 162.A OD2 no hydrogen 3.190 N/A SER 189.A OG HIS 186.A O no hydrogen 3.520 N/A ALA 190.A N HIS 186.A O no hydrogen 3.088 N/A ALA 191.A N GLY 187.A O no hydrogen 2.915 N/A VAL 192.A N ARG 188.A O no hydrogen 2.845 N/A TRP 193.A N SER 189.A O no hydrogen 3.138 N/A SER 194.A N ALA 190.A O no hydrogen 3.196 N/A SER 194.A OG ALA 191.A O no hydrogen 2.821 N/A LEU 195.A N ALA 191.A O no hydrogen 3.022 N/A GLY 196.A N VAL 192.A O no hydrogen 2.953 N/A ILE 197.A N TRP 193.A O no hydrogen 3.040 N/A LEU 198.A N SER 194.A O no hydrogen 2.934 N/A LEU 199.A N LEU 195.A O no hydrogen 2.864 N/A TYR 200.A N GLY 196.A O no hydrogen 3.046 N/A TYR 200.A OH PHE 221.A O no hydrogen 2.536 N/A ASP 201.A N ILE 197.A O no hydrogen 2.889 N/A MET 202.A N LEU 198.A O no hydrogen 2.955 N/A VAL 203.A N LEU 199.A O no hydrogen 3.046 N/A CYS 204.A N TYR 200.A O no hydrogen 2.826 N/A GLY 205.A N ASP 201.A O no hydrogen 2.822 N/A ILE 207.A N ASP 206.A OD1 no hydrogen 2.774 N/A GLU 210.A N GLU 214.A OE1 no hydrogen 2.692 N/A HIS 211.A N GLU 214.A OE1 no hydrogen 3.026 N/A ILE 215.A N HIS 211.A O no hydrogen 3.011 N/A ILE 216.A N ASP 212.A O no hydrogen 2.928 N/A GLY 217.A N GLU 213.A O no hydrogen 2.875 N/A GLY 217.A N GLU 214.A O no hydrogen 3.216 N/A ARG 223.A NE TYR 200.A OH no hydrogen 3.003 N/A GLN 224.A NE2 ARG 223.A O no hydrogen 3.381 N/A SER 227.A N GLU 108.A OE1 no hydrogen 2.854 N/A SER 227.A OG GLU 108.A OE1 no hydrogen 3.516 N/A SER 227.A OG GLU 108.A OE2 no hydrogen 2.635 N/A GLU 229.A N GLU 229.A OE2 no hydrogen 2.702 N/A CYS 230.A N SER 227.A OG no hydrogen 3.273 N/A GLN 231.A N SER 227.A O no hydrogen 2.960 N/A GLN 231.A NE2 VAL 226.A O no hydrogen 3.485 N/A HIS 232.A N SER 228.A O no hydrogen 2.942 N/A HIS 232.A ND1 HIS 254.A NE2 no hydrogen 2.838 N/A LEU 233.A N GLU 229.A O no hydrogen 3.112 N/A ILE 234.A N CYS 230.A O no hydrogen 2.935 N/A ARG 235.A N GLN 231.A O no hydrogen 2.856 N/A ARG 235.A NH1 VAL 220.A O no hydrogen 2.981 N/A ARG 235.A NH2 GLN 231.A OE1 no hydrogen 2.836 N/A TRP 236.A N HIS 232.A O no hydrogen 2.870 N/A CYS 237.A N LEU 233.A O no hydrogen 2.902 N/A CYS 237.A SG LEU 233.A O no hydrogen 3.501 N/A LEU 238.A N ILE 234.A O no hydrogen 2.959 N/A ALA 239.A N TRP 236.A O no hydrogen 3.033 N/A ASP 244.A N ARG 241.A O no hydrogen 2.922 N/A ARG 245.A N PRO 242.A O no hydrogen 3.167 N/A ARG 245.A NE ALA 239.A O no hydrogen 2.844 N/A ARG 245.A NH1 GLU 178.A OE2 no hydrogen 2.736 N/A ARG 245.A NH1 ALA 239.A O no hydrogen 3.247 N/A ARG 245.A NH2 GLU 178.A OE1 no hydrogen 2.766 N/A ARG 245.A NH2 GLU 178.A OE2 no hydrogen 3.507 N/A ARG 245.A NH2 SER 189.A O no hydrogen 3.067 N/A THR 247.A N GLU 250.A OE2 no hydrogen 2.950 N/A THR 247.A OG1 GLU 250.A OE2 no hydrogen 3.313 N/A GLU 250.A N THR 247.A OG1 no hydrogen 2.997 N/A ILE 251.A N THR 247.A O no hydrogen 2.948 N/A GLN 252.A N PHE 248.A O no hydrogen 3.017 N/A GLN 252.A NE2 GLU 120.A OE1 no hydrogen 2.863 N/A ASN 253.A N GLU 249.A O no hydrogen 2.869 N/A HIS 254.A N ILE 251.A O no hydrogen 2.970 N/A HIS 254.A NE2 HIS 232.A ND1 no hydrogen 2.838 N/A TRP 256.A N HIS 254.A ND1 no hydrogen 2.956 N/A TRP 256.A NE1 GLU 108.A OE2 no hydrogen 2.877 N/A MET 257.A N HIS 254.A O no hydrogen 2.879 N/A GLN 258.A N PRO 255.A O no hydrogen 3.418 N/A GLN 258.A NE2 GLN 252.A O no hydrogen 3.106 N/A GLN 258.A NE2 HIS 254.A O no hydrogen 2.871 N/A LEU 262.A N GLU 265.A OE1 no hydrogen 2.917 N/A THR 266.A N LEU 262.A O no hydrogen 2.966 N/A THR 266.A OG1 SER 113.A OG no hydrogen 2.600 N/A THR 266.A OG1 LEU 262.A O no hydrogen 2.856 N/A ALA 267.A N PRO 263.A O no hydrogen 2.969 N/A GLU 268.A N GLN 264.A O no hydrogen 2.973 N/A ILE 269.A N GLU 265.A O no hydrogen 2.845 N/A HIS 270.A N THR 266.A O no hydrogen 2.990 N/A HIS 270.A NE2 GLU 109.A OE1 no hydrogen 2.705 N/A LEU 271.A N ALA 267.A O no hydrogen 2.865 N/A HIS 272.A N ALA 267.A O no hydrogen 2.750 N/A HIS 272.A NE2 ASN 145.A O no hydrogen 3.086 N/A