Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ius_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 6.A N GLY 2.A O no hydrogen 2.987 N/A ARG 6.A NE ASP 176.A OD2 no hydrogen 3.326 N/A ARG 6.A NH2 ASP 176.A O no hydrogen 3.065 N/A ARG 6.A NH2 THR 214.A OG1 no hydrogen 2.990 N/A ILE 7.A N ILE 3.A O no hydrogen 2.929 N/A ALA 8.A N ALA 4.A O no hydrogen 2.935 N/A SER 9.A N ALA 5.A O no hydrogen 2.903 N/A SER 9.A OG.A ALA 5.A O no hydrogen 3.093 N/A ALA 10.A N ARG 6.A O no hydrogen 2.974 N/A GLN 11.A N ILE 7.A O no hydrogen 2.861 N/A GLN 11.A NE2.B GLU 77.A OE2.B no hydrogen 3.040 N/A GLN 11.A NE2.B ASP 144.A OD2.A no hydrogen 2.931 N/A LEU 12.A N ALA 8.A O no hydrogen 3.048 N/A GLN 13.A N SER 9.A O no hydrogen 2.969 N/A GLY 14.A N ALA 10.A O no hydrogen 2.945 N/A LEU 15.A N GLN 11.A O no hydrogen 2.920 N/A VAL 16.A N LEU 12.A O no hydrogen 3.016 N/A ARG 17.A N GLY 14.A O no hydrogen 3.301 N/A ARG 17.A NH1 ILE 174.A O no hydrogen 3.386 N/A ARG 17.A NH2 ILE 174.A O no hydrogen 2.984 N/A SER 18.A N LEU 15.A O no hydrogen 3.382 N/A ARG 19.A NE LEU 39.A O no hydrogen 2.759 N/A ARG 19.A NH1 LEU 15.A O no hydrogen 3.135 N/A ARG 20.A N LEU 31.A O no hydrogen 2.869 N/A ARG 20.A NH1.B GLU 70.A OE2.B no hydrogen 2.587 N/A ARG 20.A NH2.A GLU 70.A OE2.B no hydrogen 2.534 N/A ARG 20.A NH2.B HIS 32.A O no hydrogen 3.439 N/A ARG 20.A NH2.B GLU 70.A OE1.B no hydrogen 2.906 N/A ARG 20.A NH2.B GLU 70.A OE2.B no hydrogen 3.235 N/A VAL 22.A N GLY 29.A O no hydrogen 2.808 N/A ALA 24.A N LEU 27.A O no hydrogen 2.847 N/A LEU 27.A N ALA 24.A O no hydrogen 3.043 N/A VAL 28.A N VAL 43.A O no hydrogen 2.915 N/A GLY 29.A N VAL 22.A O no hydrogen 2.856 N/A LEU 30.A N ARG 41.A O no hydrogen 2.815 N/A LEU 31.A N ARG 20.A O no hydrogen 2.895 N/A HIS 32.A N SER 40.A OG no hydrogen 3.041 N/A GLU 34.A N HIS 32.A ND1 no hydrogen 2.908 N/A LEU 39.A N VAL 36.A O no hydrogen 3.028 N/A SER 40.A N TRP 37.A O no hydrogen 3.247 N/A ARG 41.A N LEU 30.A O no hydrogen 3.068 N/A ARG 41.A NH1 GLU 77.A OE2.B no hydrogen 2.868 N/A ARG 41.A NH1 ASP 144.A OD1.A no hydrogen 3.047 N/A ARG 41.A NH2 PHE 38.A O no hydrogen 2.982 N/A ARG 41.A NH2 THR 143.A O.A no hydrogen 3.030 N/A ARG 41.A NH2 ASP 144.A OD1.A no hydrogen 3.551 N/A ALA 42.A N SER 75.A O no hydrogen 2.893 N/A VAL 43.A N VAL 28.A O no hydrogen 2.992 N/A ALA 45.A N PRO 26.A O no hydrogen 2.901 N/A GLY 48.A N ALA 82.A O no hydrogen 2.810 N/A VAL 49.A N GLU 46.A O no hydrogen 3.209 N/A ALA 54.A N ASP 52.A OD1 no hydrogen 2.965 N/A GLU 55.A N ASP 52.A O no hydrogen 3.058 N/A VAL 56.A N PRO 53.A O no hydrogen 3.083 N/A ALA 59.A N GLU 55.A O no hydrogen 3.000 N/A LEU 60.A N VAL 56.A O no hydrogen 2.848 N/A GLU 61.A N PRO 57.A O no hydrogen 2.982 N/A THR 62.A N TRP 58.A O no hydrogen 2.924 N/A THR 62.A OG1 TRP 58.A O no hydrogen 2.793 N/A ILE 63.A N ALA 59.A O no hydrogen 3.031 N/A ARG 64.A N LEU 60.A O no hydrogen 2.797 N/A ARG 64.A NE ASP 245.A OD1 no hydrogen 3.307 N/A ARG 64.A NE ASP 245.A OD2 no hydrogen 2.968 N/A ARG 64.A NH1 GLU 61.A OE2.A no hydrogen 2.827 N/A ARG 64.A NH1 HIS 93.A O no hydrogen 3.012 N/A ARG 64.A NH2 HIS 93.A O no hydrogen 3.042 N/A ARG 64.A NH2 ASP 245.A OD1 no hydrogen 2.792 N/A LYS 65.A N GLU 61.A O no hydrogen 2.891 N/A ALA 66.A N THR 62.A O no hydrogen 3.213 N/A PHE 67.A N ILE 63.A O no hydrogen 2.965 N/A ALA 68.A N ARG 64.A O no hydrogen 2.828 N/A ALA 69.A N LYS 65.A O no hydrogen 3.049 N/A GLU 70.A N PHE 67.A O no hydrogen 2.980 N/A ASP 71.A N ALA 68.A O no hydrogen 2.918 N/A ARG 72.A N PHE 67.A O no hydrogen 2.974 N/A ARG 72.A NE ASP 35.A OD1 no hydrogen 2.854 N/A ARG 72.A NH1 HIS 32.A O no hydrogen 2.706 N/A ARG 72.A NH2 HIS 32.A O no hydrogen 3.062 N/A ARG 72.A NH2 ASP 33.A O no hydrogen 3.289 N/A ARG 72.A NH2 ASP 35.A OD1 no hydrogen 2.884 N/A TRP 73.A NE1 ASP 245.A O no hydrogen 2.996 N/A TRP 73.A NE1 PRO 246.A O no hydrogen 3.171 N/A ALA 76.A N LEU 243.A O no hydrogen 2.859 N/A GLU 77.A N ALA 42.A O no hydrogen 2.966 N/A LEU 78.A N VAL 241.A O no hydrogen 2.982 N/A GLU 80.A N THR 239.A O no hydrogen 2.829 N/A GLU 81.A N GLU 81.A OE1 no hydrogen 2.819 N/A ALA 82.A N VAL 79.A O no hydrogen 3.017 N/A ASN 83.A N VAL 79.A O no hydrogen 3.292 N/A ASN 83.A N GLU 80.A O no hydrogen 3.243 N/A ASN 83.A ND2 GLU 46.A O no hydrogen 3.240 N/A ASN 83.A ND2 VAL 49.A O no hydrogen 3.662 N/A GLY 85.A N GLU 80.A OE2 no hydrogen 2.968 N/A LEU 86.A N ASN 83.A O no hydrogen 3.087 N/A VAL 89.A N GLY 85.A O no hydrogen 3.316 N/A LEU 90.A N LEU 86.A O no hydrogen 3.032 N/A VAL 91.A N ALA 87.A O no hydrogen 2.954 N/A GLU 92.A N TYR 88.A O no hydrogen 3.051 N/A HIS 93.A N VAL 89.A O no hydrogen 3.217 N/A HIS 93.A N LEU 90.A O no hydrogen 3.187 N/A GLY 94.A N VAL 91.A O no hydrogen 3.031 N/A VAL 97.A N HIS 242.A O no hydrogen 2.890 N/A SER 98.A OG ARG 254.A OXT no hydrogen 2.641 N/A LEU 102.A N ALA 238.A O no hydrogen 2.922 N/A LEU 103.A N LEU 218.A O no hydrogen 2.874 N/A ALA 104.A N GLU 235.A O.A no hydrogen 2.845 N/A ALA 104.A N GLU 235.A O.B no hydrogen 2.845 N/A VAL 105.A N ALA 216.A O no hydrogen 2.929 N/A ASP 109.A N GLU 106.A O no hydrogen 2.968 N/A LEU 110.A N PRO 107.A O no hydrogen 3.439 N/A LEU 111.A N LEU 232.A O no hydrogen 2.882 N/A VAL 119.A N PRO 116.A O no hydrogen 3.152 N/A THR 120.A N ARG 161.A O no hydrogen 2.928 N/A ALA 122.A N LEU 159.A O no hydrogen 2.978 N/A VAL 124.A N ALA 157.A O no hydrogen 2.816 N/A ALA 125.A N GLU 129.A OE1 no hydrogen 2.919 N/A GLU 129.A N SER 126.A OG no hydrogen 2.992 N/A GLN 130.A N SER 126.A O no hydrogen 2.945 N/A GLN 130.A NE2 ASN 134.A OD1 no hydrogen 2.980 N/A GLU 131.A N ALA 127.A O no hydrogen 2.858 N/A ALA 132.A N GLU 128.A O no hydrogen 2.990 N/A ALA 133.A N GLU 129.A O no hydrogen 2.929 N/A ASN 134.A N GLN 130.A O no hydrogen 2.914 N/A ASN 134.A ND2 SER 146.A OG no hydrogen 2.969 N/A ALA 135.A N GLU 131.A O no hydrogen 2.965 N/A ILE 136.A N ALA 132.A O no hydrogen 2.928 N/A ALA 137.A N ALA 133.A O no hydrogen 3.060 N/A GLY 138.A N ALA 135.A O no hydrogen 3.381 N/A ALA 140.A N ALA 137.A O no hydrogen 3.032 N/A TYR 141.A N ASP 222.A O no hydrogen 2.993 N/A GLN 149.A NE2 GLU 151.A O no hydrogen 2.958 N/A GLU 151.A N GLN 149.A OE1 no hydrogen 2.819 N/A ALA 153.A N GLU 151.A OE1.A no hydrogen 2.976 N/A ASP 154.A N GLU 151.A O no hydrogen 2.879 N/A GLY 155.A N PRO 152.A O no hydrogen 3.069 N/A GLY 156.A N TRP 171.A O no hydrogen 3.057 N/A VAL 158.A N ALA 169.A O no hydrogen 2.898 N/A LEU 159.A N ALA 122.A O no hydrogen 2.946 N/A ILE 160.A N ALA 167.A O no hydrogen 2.867 N/A ARG 161.A N THR 120.A O no hydrogen 2.850 N/A ARG 161.A NE.A THR 120.A OG1 no hydrogen 2.895 N/A ARG 161.A NH2.B GLY 163.A O no hydrogen 2.366 N/A VAL 166.A N ILE 160.A O no hydrogen 2.827 N/A ALA 167.A N ILE 160.A O no hydrogen 3.263 N/A THR 168.A N GLY 185.A O no hydrogen 2.888 N/A THR 168.A OG1 VAL 158.A O no hydrogen 2.800 N/A ALA 169.A N VAL 158.A O no hydrogen 3.483 N/A ALA 170.A N ALA 182.A O no hydrogen 2.872 N/A TRP 171.A N GLY 156.A O no hydrogen 2.860 N/A TRP 171.A NE1 PRO 152.A O no hydrogen 2.881 N/A THR 172.A N GLU 180.A O no hydrogen 2.923 N/A ILE 174.A N ALA 153.A O no hydrogen 2.973 N/A ALA 175.A N VAL 178.A O no hydrogen 2.956 N/A VAL 178.A N ALA 175.A O no hydrogen 2.871 N/A THR 179.A N LEU 215.A O no hydrogen 2.988 N/A THR 179.A OG1 THR 172.A O no hydrogen 2.775 N/A THR 179.A OG1 GLU 180.A O no hydrogen 3.541 N/A GLU 180.A N THR 172.A OG1 no hydrogen 3.000 N/A VAL 181.A N TRP 217.A O no hydrogen 2.853 N/A ALA 182.A N ALA 170.A O no hydrogen 2.913 N/A GLY 185.A N THR 168.A O no hydrogen 3.042 N/A THR 186.A OG1.A LEU 187.A O no hydrogen 3.231 N/A THR 186.A OG1.B VAL 166.A O no hydrogen 3.515 N/A THR 186.A OG1.B LEU 187.A O no hydrogen 3.413 N/A THR 186.A OG1.B HIS 190.A O no hydrogen 3.191 N/A LEU 187.A N VAL 166.A O no hydrogen 2.857 N/A SER 189.A OG HIS 190.A ND1 no hydrogen 2.757 N/A HIS 190.A N LEU 187.A O no hydrogen 2.948 N/A HIS 190.A ND1 SER 189.A OG no hydrogen 2.757 N/A ARG 191.A N HIS 188.A O no hydrogen 3.372 N/A ARG 191.A NE.B HIS 188.A ND1 no hydrogen 2.929 N/A ARG 191.A NH1.B THR 186.A O no hydrogen 2.706 N/A ARG 191.A NH2.A HIS 188.A O no hydrogen 2.729 N/A ARG 191.A NH2.B THR 186.A O no hydrogen 3.168 N/A LEU 198.A N GLY 194.A O no hydrogen 3.106 N/A ALA 199.A N LEU 195.A O no hydrogen 2.965 N/A THR 200.A N GLY 196.A O no hydrogen 2.959 N/A THR 200.A OG1 GLY 196.A O no hydrogen 2.877 N/A ALA 201.A N ALA 197.A O no hydrogen 2.894 N/A TYR 202.A N LEU 198.A O no hydrogen 2.878 N/A ALA 203.A N ALA 199.A O no hydrogen 2.860 N/A THR 204.A N THR 200.A O no hydrogen 2.954 N/A THR 204.A OG1 THR 200.A O no hydrogen 2.763 N/A THR 204.A OG1 TYR 234.A OH no hydrogen 2.735 N/A GLN 205.A N ALA 201.A O no hydrogen 2.884 N/A GLN 206.A N TYR 202.A O no hydrogen 2.942 N/A GLN 206.A NE2 GLN 205.A OE1 no hydrogen 3.429 N/A ALA 207.A N ALA 203.A O no hydrogen 2.932 N/A PHE 208.A N THR 204.A O no hydrogen 3.055 N/A GLU 209.A N GLN 205.A O no hydrogen 2.839 N/A VAL 210.A N GLN 206.A O no hydrogen 2.819 N/A GLY 211.A N GLN 206.A O no hydrogen 3.033 N/A ALA 213.A N ALA 207.A O no hydrogen 3.010 N/A THR 214.A N GLY 177.A O no hydrogen 2.694 N/A THR 214.A OG1 GLY 177.A O no hydrogen 3.448 N/A LEU 215.A N GLY 177.A O no hydrogen 3.051 N/A ALA 216.A N VAL 105.A O no hydrogen 3.025 N/A TRP 217.A N THR 179.A O no hydrogen 3.050 N/A LEU 218.A N LEU 103.A O no hydrogen 2.899 N/A THR 219.A OG1.A PRO 101.A O no hydrogen 2.850 N/A GLY 224.A N GLY 221.A O no hydrogen 2.949 N/A ALA 225.A N ASP 223.A OD2 no hydrogen 3.378 N/A ARG 227.A NH1 ASP 223.A OD1 no hydrogen 2.528 N/A ARG 227.A NH1 ASP 223.A OD2 no hydrogen 3.395 N/A ARG 227.A NH1 TYR 229.A OH no hydrogen 2.807 N/A ARG 227.A NH2 ASP 223.A OD1 no hydrogen 2.677 N/A ARG 231.A N ILE 228.A O no hydrogen 3.289 N/A LEU 232.A N TYR 229.A O no hydrogen 2.919 N/A GLY 233.A N ARG 230.A O no hydrogen 2.961 N/A TYR 234.A OH THR 204.A OG1 no hydrogen 2.735 N/A GLU 235.A N.A ALA 104.A O no hydrogen 3.035 N/A GLU 235.A N.B ALA 104.A O no hydrogen 3.019 N/A LYS 237.A N LEU 102.A O no hydrogen 2.879 N/A ALA 238.A N LEU 102.A O no hydrogen 3.298 N/A THR 239.A N GLU 81.A OE1 no hydrogen 2.797 N/A THR 239.A OG1 GLU 81.A OE2 no hydrogen 2.685 N/A ALA 240.A N PRO 100.A O no hydrogen 2.857 N/A VAL 241.A N LEU 78.A O no hydrogen 2.877 N/A HIS 242.A N SER 98.A O no hydrogen 2.961 N/A HIS 242.A ND1 ARG 254.A O no hydrogen 2.723 N/A LEU 243.A N ALA 76.A O no hydrogen 2.913 N/A GLY 244.A N THR 95.A O no hydrogen 2.905 N/A ASP 245.A N LEU 74.A O no hydrogen 3.002 N/A HIS 249.A ND1 ASP 252.A OD2 no hydrogen 2.788 N/A LEU 250.A N GLY 247.A O no hydrogen 2.982 N/A ASP 252.A N HIS 249.A O no hydrogen 2.841 N/A LEU 253.A N HIS 249.A O no hydrogen 3.238 N/A LEU 253.A N LEU 250.A O no hydrogen 3.284 N/A ARG 254.A N TYR 141.A OH no hydrogen 2.936 N/A ARG 254.A NH1 ALA 251.A O no hydrogen 2.639 N/A ARG 254.A NH1 LEU 253.A O no hydrogen 3.100 N/A