Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ius_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N THR 60.A OG1 no hydrogen 2.865 N/A LEU 4.A N ARG 26.A O no hydrogen 2.856 N/A LEU 5.A N HIS 61.A O no hydrogen 2.895 N/A SER 6.A N ILE 28.A O no hydrogen 2.708 N/A SER 6.A OG HIS 9.A ND1 no hydrogen 2.858 N/A PHE 7.A N LEU 63.A O no hydrogen 2.914 N/A GLY 8.A N THR 30.A OG1 no hydrogen 2.955 N/A HIS 9.A N THR 30.A O no hydrogen 2.841 N/A HIS 9.A ND1 SER 6.A OG no hydrogen 2.858 N/A HIS 9.A NE2 SER 17.A OG no hydrogen 2.967 N/A HIS 9.A NE2 SER 42.A OG no hydrogen 3.042 N/A TYR 11.A OH PRO 151.A O no hydrogen 2.588 N/A ARG 14.A N GLY 10.A O no hydrogen 2.924 N/A ARG 14.A NE HIS 9.A O no hydrogen 2.869 N/A ARG 14.A NH1 GLN 36.A OE1 no hydrogen 3.158 N/A ARG 14.A NH2 HIS 9.A O no hydrogen 3.123 N/A ARG 14.A NH2 GLN 36.A OE1 no hydrogen 2.871 N/A VAL 15.A N THR 12.A O no hydrogen 3.142 N/A LEU 16.A N THR 12.A O no hydrogen 3.379 N/A SER 17.A N ALA 13.A O no hydrogen 2.875 N/A SER 17.A OG HIS 9.A NE2 no hydrogen 2.967 N/A SER 17.A OG ALA 13.A O no hydrogen 3.400 N/A SER 17.A OG ARG 14.A O no hydrogen 3.056 N/A SER 17.A OG SER 42.A O no hydrogen 2.714 N/A SER 17.A OG SER 42.A OG no hydrogen 3.152 N/A ARG 18.A N ARG 14.A O no hydrogen 2.990 N/A ALA 19.A N LEU 16.A O no hydrogen 2.977 N/A LEU 20.A N LEU 16.A O no hydrogen 2.861 N/A ALA 21.A N SER 17.A O no hydrogen 2.847 N/A GLN 23.A N LEU 20.A O no hydrogen 2.853 N/A GLN 23.A NE2 ALA 19.A O no hydrogen 2.908 N/A GLY 24.A N ALA 21.A O no hydrogen 3.072 N/A TRP 25.A N LEU 20.A O no hydrogen 3.470 N/A ARG 26.A N GLY 2.A O no hydrogen 3.137 N/A ARG 26.A NE GLU 45.A OE1 no hydrogen 2.840 N/A ARG 26.A NH2 GLU 45.A OE2 no hydrogen 3.009 N/A ILE 28.A N LEU 4.A O no hydrogen 2.839 N/A GLY 29.A N GLU 45.A O no hydrogen 2.944 N/A THR 30.A N SER 6.A O no hydrogen 2.942 N/A SER 31.A N LEU 47.A O no hydrogen 3.025 N/A SER 31.A OG ASN 33.A O no hydrogen 3.393 N/A ASN 33.A N SER 31.A OG no hydrogen 2.972 N/A ASP 35.A N ASN 33.A OD1 no hydrogen 2.866 N/A GLN 36.A N ASN 33.A O no hydrogen 2.967 N/A GLN 36.A NE2 ASP 35.A OD2 no hydrogen 3.314 N/A ILE 39.A N GLN 36.A O no hydrogen 3.012 N/A ALA 41.A N GLU 37.A O no hydrogen 2.979 N/A SER 42.A N ALA 38.A O no hydrogen 3.183 N/A SER 42.A N ILE 39.A O no hydrogen 3.084 N/A SER 42.A OG HIS 9.A NE2 no hydrogen 3.042 N/A SER 42.A OG SER 17.A OG no hydrogen 3.152 N/A SER 42.A OG ILE 39.A O no hydrogen 2.629 N/A GLY 43.A N ARG 40.A O no hydrogen 2.873 N/A ALA 44.A N ILE 39.A O no hydrogen 3.304 N/A GLU 45.A N ILE 27.A O no hydrogen 2.802 N/A LEU 47.A N GLY 29.A O no hydrogen 2.816 N/A TRP 49.A N SER 31.A O no hydrogen 2.866 N/A ASP 57.A N SER 55.A OG no hydrogen 3.172 N/A VAL 59.A N LEU 56.A O no hydrogen 3.165 N/A THR 60.A N THR 3.A O no hydrogen 2.840 N/A THR 60.A OG1 THR 3.A O no hydrogen 3.160 N/A THR 60.A OG1 HIS 61.A ND1 no hydrogen 2.638 N/A HIS 61.A N THR 3.A O no hydrogen 2.995 N/A HIS 61.A ND1 THR 60.A OG1 no hydrogen 2.638 N/A LEU 62.A N TRP 92.A O no hydrogen 3.063 N/A LEU 63.A N LEU 5.A O no hydrogen 2.925 N/A ILE 64.A N GLY 94.A O no hydrogen 2.916 N/A SER 65.A N PHE 7.A O no hydrogen 2.995 N/A ASP 69.A N GLY 72.A O no hydrogen 2.911 N/A GLY 71.A N ASP 69.A OD1 no hydrogen 2.851 N/A GLY 72.A N ASP 69.A O no hydrogen 2.729 N/A ASP 73.A N GLN 131.A OE1 no hydrogen 2.865 N/A LEU 76.A N ASP 73.A OD2 no hydrogen 2.857 N/A ALA 77.A N ASP 73.A O no hydrogen 2.967 N/A ALA 78.A N PRO 74.A O no hydrogen 3.154 N/A ALA 78.A N VAL 75.A O no hydrogen 3.298 N/A LEU 79.A N VAL 75.A O no hydrogen 2.829 N/A GLY 80.A N LEU 76.A O no hydrogen 2.759 N/A GLN 82.A N GLN 82.A OE1 no hydrogen 2.779 N/A ILE 83.A N LEU 79.A O no hydrogen 3.055 N/A ALA 84.A N GLY 80.A O no hydrogen 2.981 N/A ALA 85.A N ASP 81.A O no hydrogen 3.138 N/A ARG 86.A N GLN 82.A O no hydrogen 3.013 N/A ARG 86.A NH1 GLN 89.A OE1.A no hydrogen 2.668 N/A ARG 86.A NH1 GLN 89.A OE1.B no hydrogen 2.944 N/A ALA 87.A N ALA 84.A O no hydrogen 3.124 N/A GLN 89.A N ARG 86.A O no hydrogen 2.915 N/A GLN 89.A NE2.B LEU 56.A O no hydrogen 2.907 N/A GLN 89.A NE2.B VAL 59.A O no hydrogen 2.779 N/A PHE 90.A N ALA 87.A O no hydrogen 3.389 N/A ARG 91.A N THR 60.A O no hydrogen 2.819 N/A TRP 92.A NE1 SER 189.A OG no hydrogen 2.893 N/A VAL 93.A N PRO 139.A O no hydrogen 2.905 N/A GLY 94.A N LEU 62.A O no hydrogen 2.794 N/A TYR 95.A N HIS 141.A O no hydrogen 2.842 N/A LEU 96.A N ILE 64.A O no hydrogen 3.003 N/A SER 97.A N PHE 143.A O no hydrogen 2.632 N/A SER 97.A OG GLU 129.A OE2 no hydrogen 2.706 N/A THR 99.A N LEU 145.A O no hydrogen 3.255 N/A ALA 100.A N THR 98.A OG1 no hydrogen 3.249 N/A TYR 102.A N THR 99.A O no hydrogen 3.322 N/A TYR 102.A OH ASP 111.A O no hydrogen 3.263 N/A GLY 103.A N ALA 100.A O no hydrogen 3.352 N/A HIS 105.A N ASN 244.A O no hydrogen 2.954 N/A HIS 105.A NE2 TYR 102.A O no hydrogen 3.049 N/A ASP 106.A N ASP 104.A OD1 no hydrogen 3.081 N/A GLY 107.A N ASN 244.A O no hydrogen 2.826 N/A ALA 108.A N HIS 105.A O no hydrogen 2.951 N/A VAL 110.A N ARG 246.A O no hydrogen 2.777 N/A ASP 111.A N THR 114.A OG1 no hydrogen 2.927 N/A GLU 112.A N GLU 112.A OE1 no hydrogen 2.635 N/A THR 113.A N ASP 111.A OD1 no hydrogen 2.736 N/A THR 113.A OG1 ASP 111.A OD1 no hydrogen 2.560 N/A THR 114.A N ASP 111.A O no hydrogen 3.028 N/A THR 114.A OG1 ASP 111.A O no hydrogen 3.237 N/A THR 117.A OG1 TYR 102.A O no hydrogen 3.140 N/A THR 119.A N GLU 243.A OE2 no hydrogen 2.802 N/A THR 119.A OG1 GLU 243.A OE2 no hydrogen 2.518 N/A ARG 122.A NH2 PRO 68.A O no hydrogen 3.019 N/A ARG 124.A N ALA 120.A O no hydrogen 3.057 N/A TRP 125.A N ALA 121.A O no hydrogen 2.818 N/A ARG 126.A N ARG 122.A O no hydrogen 3.004 N/A ARG 126.A NH1 TYR 95.A OH no hydrogen 3.122 N/A VAL 127.A N GLY 123.A O no hydrogen 3.042 N/A GLU 129.A N ARG 126.A O no hydrogen 2.891 N/A GLN 130.A N VAL 127.A O no hydrogen 2.975 N/A GLN 131.A NE2 GLY 71.A O no hydrogen 3.054 N/A TRP 132.A N ALA 128.A O no hydrogen 3.014 N/A GLN 133.A N GLU 129.A O no hydrogen 2.875 N/A GLN 133.A NE2.A GLY 195.A O no hydrogen 3.486 N/A ALA 134.A N GLN 131.A O no hydrogen 3.237 N/A VAL 135.A N TRP 132.A O no hydrogen 3.190 N/A LEU 138.A N VAL 135.A O no hydrogen 3.354 N/A LEU 140.A N LEU 138.A O no hydrogen 2.718 N/A HIS 141.A N VAL 93.A O no hydrogen 2.812 N/A HIS 141.A ND1 VAL 93.A O no hydrogen 3.191 N/A VAL 142.A N ALA 196.A O no hydrogen 3.011 N/A PHE 143.A N TYR 95.A O no hydrogen 2.932 N/A ARG 144.A N TYR 198.A O no hydrogen 2.926 N/A ARG 144.A NE GLU 129.A OE2 no hydrogen 3.017 N/A ARG 144.A NH1 TYR 102.A OH no hydrogen 2.933 N/A ARG 144.A NH2 GLU 129.A OE1 no hydrogen 2.916 N/A LEU 145.A N SER 97.A O no hydrogen 3.082 N/A ALA 146.A N VAL 200.A O no hydrogen 3.074 N/A GLY 147.A N SER 175.A O no hydrogen 3.018 N/A TYR 149.A N ILE 177.A O no hydrogen 3.084 N/A GLY 150.A N ARG 153.A O no hydrogen 3.199 N/A ARG 153.A N GLY 150.A O no hydrogen 2.826 N/A SER 157.A OG GLY 154.A O no hydrogen 3.362 N/A LYS 158.A N PRO 155.A O no hydrogen 3.104 N/A LYS 161.A NZ SER 157.A O no hydrogen 2.954 N/A ARG 165.A NH2 ALA 232.A O no hydrogen 3.044 N/A ARG 166.A N PRO 225.A O no hydrogen 2.938 N/A ARG 166.A NE PRO 224.A O no hydrogen 2.676 N/A ARG 166.A NH2 PRO 224.A O no hydrogen 2.936 N/A ILE 168.A N VAL 227.A O no hydrogen 2.897 N/A LYS 169.A NZ TYR 241.A O no hydrogen 2.800 N/A GLN 172.A N LYS 169.A O no hydrogen 2.971 N/A GLN 172.A NE2 VAL 173.A O no hydrogen 3.179 N/A GLN 172.A NE2 GLU 243.A O no hydrogen 3.086 N/A VAL 173.A N ASN 244.A OD1 no hydrogen 2.963 N/A PHE 174.A N VAL 206.A O no hydrogen 2.748 N/A ILE 177.A N GLY 147.A O no hydrogen 2.914 N/A VAL 179.A N TYR 149.A O no hydrogen 2.849 N/A ASP 181.A N HIS 178.A O no hydrogen 2.898 N/A ILE 182.A N HIS 178.A O no hydrogen 3.166 N/A ALA 183.A N VAL 179.A O no hydrogen 3.053 N/A GLN 184.A N GLU 180.A O no hydrogen 3.068 N/A GLN 184.A NE2 ASP 181.A OD1 no hydrogen 2.909 N/A GLN 184.A NE2 ARG 259.A O no hydrogen 3.037 N/A VAL 185.A N ASP 181.A O no hydrogen 3.055 N/A LEU 186.A N ILE 182.A O no hydrogen 2.945 N/A ALA 187.A N ALA 183.A O no hydrogen 2.977 N/A ALA 188.A N GLN 184.A O no hydrogen 2.820 N/A SER 189.A N VAL 185.A O no hydrogen 2.806 N/A ARG 191.A N ALA 188.A O no hydrogen 2.923 N/A ARG 191.A NH1 GLU 255.A O no hydrogen 2.899 N/A ASP 193.A N HIS 141.A NE2 no hydrogen 2.757 N/A GLY 195.A N LEU 140.A O no hydrogen 2.662 N/A ALA 196.A N ASP 193.A O no hydrogen 2.991 N/A TYR 198.A N VAL 142.A O no hydrogen 2.847 N/A ASN 199.A N GLU 112.A OE2 no hydrogen 2.867 N/A ASN 199.A ND2 TYR 102.A OH no hydrogen 2.597 N/A VAL 200.A N ARG 144.A O no hydrogen 2.863 N/A CYS 201.A SG ASP 202.A O no hydrogen 3.921 N/A CYS 201.A SG VAL 247.A O no hydrogen 3.377 N/A ASP 202.A N ARG 176.A O no hydrogen 2.850 N/A ASP 203.A N PRO 263.A O no hydrogen 2.812 N/A GLU 204.A N ASP 202.A OD1 no hydrogen 3.006 N/A VAL 206.A N PHE 174.A O no hydrogen 3.108 N/A GLN 209.A N GLN 209.A OE1 no hydrogen 2.706 N/A ASP 210.A N PRO 207.A O no hydrogen 2.835 N/A VAL 211.A N PRO 208.A O no hydrogen 3.198 N/A ILE 212.A N PRO 208.A O no hydrogen 3.438 N/A ALA 213.A N GLN 209.A O no hydrogen 3.061 N/A TYR 214.A N ASP 210.A O no hydrogen 2.925 N/A ALA 215.A N VAL 211.A O no hydrogen 2.968 N/A ALA 216.A N ILE 212.A O no hydrogen 3.121 N/A GLU 217.A N ALA 213.A O no hydrogen 2.949 N/A LEU 218.A N TYR 214.A O no hydrogen 2.922 N/A GLN 219.A N ALA 215.A O no hydrogen 3.149 N/A GLN 219.A N ALA 216.A O no hydrogen 3.092 N/A GLY 220.A N GLU 217.A O no hydrogen 3.122 N/A LEU 221.A N ALA 216.A O no hydrogen 2.947 N/A VAL 227.A N ARG 166.A O no hydrogen 2.834 N/A PHE 229.A N ILE 168.A O no hydrogen 2.918 N/A LYS 231.A N ASP 228.A O no hydrogen 2.741 N/A ALA 232.A N PHE 229.A O no hydrogen 3.295 N/A ARG 238.A N THR 235.A O no hydrogen 2.904 N/A SER 239.A N PRO 236.A O no hydrogen 2.899 N/A PHE 240.A N ALA 237.A O no hydrogen 3.314 N/A TYR 241.A N ARG 238.A O no hydrogen 2.990 N/A SER 242.A N SER 239.A O no hydrogen 3.442 N/A SER 242.A OG SER 239.A O no hydrogen 2.678 N/A ASN 244.A N ASP 104.A OD1 no hydrogen 2.939 N/A ASN 244.A ND2 GLY 171.A O no hydrogen 3.060 N/A LYS 245.A NZ THR 99.A O no hydrogen 3.292 N/A ARG 246.A N ALA 108.A O no hydrogen 2.899 N/A ARG 246.A NH1 GLY 107.A O no hydrogen 2.729 N/A ARG 248.A N VAL 110.A O no hydrogen 2.922 N/A ASN 249.A ND2 CYS 201.A O no hydrogen 2.985 N/A ASN 249.A ND2 ASP 203.A OD1 no hydrogen 2.771 N/A ARG 251.A NE.B GLU 255.A OE1 no hydrogen 2.660 N/A ARG 251.A NE.B GLU 255.A OE2 no hydrogen 3.060 N/A ARG 251.A NH1.B VAL 197.A O no hydrogen 2.630 N/A LYS 253.A NZ ASP 203.A OD1 no hydrogen 2.788 N/A LYS 253.A NZ ASN 249.A OD1 no hydrogen 2.902 N/A GLU 254.A N ASP 250.A O no hydrogen 2.802 N/A GLU 255.A N ARG 251.A O no hydrogen 2.848 N/A GLY 257.A N LYS 253.A O no hydrogen 3.081 N/A VAL 258.A N ILE 252.A O no hydrogen 3.138 N/A LYS 261.A N ASP 181.A OD1 no hydrogen 2.792 N/A TYR 262.A N ASP 181.A OD2 no hydrogen 2.996 N/A TYR 262.A OH GLU 277.A O no hydrogen 2.535 N/A ARG 266.A NH1 GLU 204.A OE1 no hydrogen 3.495 N/A ARG 266.A NH1 GLU 204.A OE2 no hydrogen 2.877 N/A ARG 266.A NH1 TYR 265.A OH no hydrogen 3.382 N/A ARG 266.A NH2 GLU 204.A OE1 no hydrogen 3.100 N/A VAL 267.A N ASN 264.A OD1 no hydrogen 3.173 N/A GLY 268.A N ASN 264.A O no hydrogen 3.113 N/A LEU 269.A N TYR 265.A O no hydrogen 2.764 N/A GLU 270.A N ARG 266.A O no hydrogen 3.093 N/A ALA 271.A N VAL 267.A O no hydrogen 3.201 N/A LEU 272.A N GLY 268.A O no hydrogen 2.943 N/A GLN 273.A N LEU 269.A O no hydrogen 2.992 N/A GLN 273.A NE2 LEU 218.A O no hydrogen 2.963 N/A GLN 273.A NE2 GLN 219.A OE1 no hydrogen 3.104 N/A ASP 275.A N LEU 272.A O no hydrogen 3.017 N/A ALA 276.A N ALA 271.A O no hydrogen 2.985 N/A