Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8i9y_LB.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N SER 2.A OG no hydrogen 3.186 N/A ARG 8.A NH1 ARG 222.A O no hydrogen 3.158 N/A ARG 8.A NH2 ARG 222.A O no hydrogen 3.287 N/A ARG 10.A NH2 GLN 235.A OE1 no hydrogen 3.047 N/A ALA 11.A N TYR 238.A O no hydrogen 3.143 N/A HIS 14.A ND1 TYR 238.A OH no hydrogen 2.636 N/A ARG 17.A N HIS 240.A NE2 no hydrogen 3.190 N/A SER 20.A OG LYS 19.A O no hydrogen 2.549 N/A LYS 28.A NZ ASP 25.A OD1 no hydrogen 3.556 N/A HIS 31.A N ASN 174.A O no hydrogen 2.929 N/A HIS 31.A ND1 PRO 29.A O no hydrogen 2.787 N/A THR 33.A N GLN 172.A O no hydrogen 2.989 N/A THR 33.A OG1 GLN 172.A O no hydrogen 3.013 N/A ALA 35.A N LEU 304.A O no hydrogen 2.772 N/A TYR 38.A N ASP 69.A O no hydrogen 2.923 N/A TYR 38.A OH THR 154.A OG1 no hydrogen 2.974 N/A TYR 38.A OH HIS 167.A ND1 no hydrogen 2.812 N/A LYS 39.A N ARG 300.A O no hydrogen 3.274 N/A LYS 39.A NZ VAL 294.A O no hydrogen 3.264 N/A LYS 39.A NZ GLY 296.A O no hydrogen 2.612 N/A ALA 40.A N ILE 67.A O no hydrogen 2.906 N/A THR 43.A N VAL 65.A O no hydrogen 2.956 N/A ILE 45.A N GLU 63.A O no hydrogen 2.959 N/A ARG 47.A N VAL 61.A O no hydrogen 2.964 N/A ARG 47.A NH2 GLU 318.A OE2 no hydrogen 3.010 N/A ASP 48.A N GLU 321.A O no hydrogen 3.338 N/A LEU 49.A N LYS 59.A O no hydrogen 2.851 N/A ARG 51.A NE GLU 318.A OE1 no hydrogen 3.314 N/A ARG 51.A NE GLU 318.A OE2 no hydrogen 3.061 N/A ARG 51.A NH2 GLU 318.A OE2 no hydrogen 3.125 N/A ALA 54.A N ARG 51.A O no hydrogen 3.229 N/A HIS 57.A N ALA 54.A O no hydrogen 3.009 N/A HIS 57.A NE2 ASP 50.A OD1 no hydrogen 3.224 N/A LYS 58.A N LEU 49.A O no hydrogen 2.963 N/A LYS 58.A NZ ASP 50.A OD1 no hydrogen 2.779 N/A LYS 59.A NZ LYS 55.A O no hydrogen 3.453 N/A LYS 59.A NZ HIS 57.A O no hydrogen 3.229 N/A VAL 61.A N ARG 47.A O no hydrogen 3.162 N/A GLU 63.A N ILE 45.A O no hydrogen 2.714 N/A VAL 65.A N THR 43.A O no hydrogen 3.182 N/A THR 66.A N ILE 290.A O no hydrogen 2.853 N/A THR 66.A OG1 GLY 41.A O no hydrogen 3.080 N/A ILE 67.A N GLY 41.A O no hydrogen 2.726 N/A ILE 68.A N VAL 288.A O no hydrogen 2.903 N/A ASP 69.A N TYR 38.A O no hydrogen 2.871 N/A CYS 70.A N ASP 286.A O no hydrogen 2.676 N/A CYS 70.A SG MET 36.A O no hydrogen 3.652 N/A CYS 70.A SG ILE 68.A O no hydrogen 3.304 N/A MET 73.A N VAL 193.A O no hydrogen 3.044 N/A VAL 74.A N HIS 153.A O no hydrogen 2.899 N/A VAL 76.A N LEU 151.A O no hydrogen 2.892 N/A GLY 77.A N LEU 151.A O no hydrogen 3.262 N/A LEU 78.A N VAL 94.A O no hydrogen 2.887 N/A VAL 79.A N ARG 149.A O no hydrogen 2.844 N/A GLY 80.A N THR 92.A O no hydrogen 2.878 N/A TYR 81.A N VAL 147.A O no hydrogen 2.997 N/A TYR 81.A OH GLU 170.A OE1 no hydrogen 2.519 N/A TYR 81.A OH GLU 170.A OE2 no hydrogen 3.362 N/A ILE 82.A N ARG 89.A O no hydrogen 2.845 N/A THR 84.A N GLY 87.A O no hydrogen 2.867 N/A THR 84.A OG1 GLY 87.A O no hydrogen 2.610 N/A GLY 87.A N THR 84.A O no hydrogen 2.914 N/A ARG 89.A N ILE 82.A O no hydrogen 2.933 N/A THR 92.A N GLY 80.A O no hydrogen 3.108 N/A THR 92.A OG1 THR 93.A O no hydrogen 3.566 N/A THR 92.A OG1 GLU 137.A OE1 no hydrogen 3.167 N/A VAL 94.A N LEU 78.A O no hydrogen 2.900 N/A TRP 95.A N TYR 122.A OH no hydrogen 3.147 N/A LYS 104.A N SER 100.A O no hydrogen 2.996 N/A LYS 104.A NZ ALA 118.A O no hydrogen 3.309 N/A ARG 105.A N ASP 101.A O no hydrogen 2.829 N/A ARG 106.A N GLU 102.A O no hydrogen 2.943 N/A ARG 106.A NE ALA 166.A O no hydrogen 3.003 N/A ARG 106.A NH2 ALA 166.A O no hydrogen 2.901 N/A PHE 107.A N VAL 103.A O no hydrogen 2.973 N/A TYR 108.A N LYS 104.A O no hydrogen 2.960 N/A SER 114.A OG ASN 110.A O no hydrogen 3.320 N/A SER 114.A OG TRP 111.A O no hydrogen 3.031 N/A LYS 115.A NZ LYS 113.A O no hydrogen 3.499 N/A LYS 116.A NZ TRP 111.A O no hydrogen 2.953 N/A LYS 116.A NZ TYR 112.A O no hydrogen 3.501 N/A LYS 116.A NZ SER 114.A O no hydrogen 3.012 N/A LYS 117.A N TYR 108.A OH no hydrogen 2.914 N/A ALA 123.A N PHE 119.A O no hydrogen 2.888 N/A LYS 124.A N THR 120.A O no hydrogen 2.972 N/A LYS 125.A N LYS 121.A O no hydrogen 2.812 N/A TYR 126.A N TYR 122.A O no hydrogen 2.985 N/A TYR 126.A OH TRP 95.A O no hydrogen 2.107 N/A ALA 127.A N ALA 123.A O no hydrogen 2.904 N/A GLU 128.A N LYS 124.A O no hydrogen 2.877 N/A ILE 134.A N ASN 130.A O no hydrogen 3.025 N/A THR 135.A N GLY 131.A O no hydrogen 2.823 N/A THR 135.A OG1 GLY 131.A O no hydrogen 2.584 N/A THR 135.A OG1 ALA 132.A O no hydrogen 2.692 N/A ARG 136.A N ALA 132.A O no hydrogen 2.884 N/A GLU 137.A N SER 133.A O no hydrogen 2.998 N/A LEU 138.A N ILE 134.A O no hydrogen 2.963 N/A GLU 139.A N THR 135.A O no hydrogen 2.855 N/A ARG 140.A N ARG 136.A O no hydrogen 2.890 N/A ILE 141.A N GLU 137.A O no hydrogen 2.974 N/A LYS 142.A N LEU 138.A O no hydrogen 2.906 N/A LYS 142.A NZ ALA 179.A O no hydrogen 3.206 N/A LYS 142.A NZ GLU 183.A OE2 no hydrogen 2.959 N/A LYS 143.A N GLU 139.A O no hydrogen 2.865 N/A TYR 144.A N ARG 140.A O no hydrogen 2.935 N/A CYS 145.A N ILE 141.A O no hydrogen 3.185 N/A THR 146.A N TYR 81.A O no hydrogen 2.968 N/A ARG 149.A N VAL 79.A O no hydrogen 2.930 N/A ARG 149.A NH1 GLU 170.A OE1 no hydrogen 3.275 N/A VAL 150.A N ILE 171.A O no hydrogen 2.850 N/A LEU 151.A N GLY 77.A O no hydrogen 2.802 N/A ALA 152.A N MET 169.A O no hydrogen 2.933 N/A HIS 153.A N VAL 74.A O no hydrogen 2.928 N/A HIS 153.A ND1 THR 154.A O no hydrogen 3.084 N/A THR 154.A OG1 TYR 38.A OH no hydrogen 2.974 N/A LYS 158.A N GLN 155.A O no hydrogen 3.098 N/A LYS 158.A NZ GLN 155.A OE1 no hydrogen 2.904 N/A THR 159.A N GLN 155.A O no hydrogen 2.967 N/A THR 159.A OG1 GLN 155.A O no hydrogen 3.135 N/A LEU 161.A N THR 159.A O no hydrogen 2.848 N/A GLN 163.A NE2 LYS 165.A O no hydrogen 3.361 N/A ALA 166.A N GLU 102.A O no hydrogen 3.359 N/A HIS 167.A ND1 TYR 38.A OH no hydrogen 2.812 N/A MET 169.A N ALA 152.A O no hydrogen 2.926 N/A ILE 171.A N VAL 150.A O no hydrogen 2.874 N/A GLN 172.A NE2 PRO 22.A O no hydrogen 3.651 N/A GLN 172.A NE2 ASN 174.A OD1 no hydrogen 2.491 N/A ILE 173.A N VAL 148.A O no hydrogen 2.962 N/A ASN 174.A N HIS 31.A O no hydrogen 2.882 N/A ASN 174.A ND2 PRO 22.A O no hydrogen 2.850 N/A GLY 175.A N ASP 24.A OD1 no hydrogen 2.956 N/A ASP 180.A N SER 177.A OG no hydrogen 3.123 N/A LYS 181.A N SER 177.A O no hydrogen 2.953 N/A LYS 181.A NZ ASP 24.A OD2 no hydrogen 2.542 N/A LYS 181.A NZ ILE 173.A O no hydrogen 3.391 N/A VAL 182.A N VAL 178.A O no hydrogen 2.894 N/A GLU 183.A N ALA 179.A O no hydrogen 2.936 N/A PHE 184.A N ASP 180.A O no hydrogen 2.922 N/A GLY 185.A N LYS 181.A O no hydrogen 2.931 N/A ARG 186.A N VAL 182.A O no hydrogen 2.924 N/A SER 187.A N GLU 183.A O no hydrogen 2.921 N/A SER 187.A OG GLU 183.A O no hydrogen 3.014 N/A LEU 188.A N PHE 184.A O no hydrogen 2.882 N/A LEU 188.A N GLY 185.A O no hydrogen 2.945 N/A PHE 189.A N ARG 186.A O no hydrogen 3.354 N/A GLU 190.A N VAL 75.A O no hydrogen 2.822 N/A LYS 191.A N LEU 188.A O no hydrogen 3.389 N/A VAL 193.A N MET 73.A O no hydrogen 2.677 N/A THR 197.A N THR 194.A O no hydrogen 2.821 N/A THR 197.A OG1 THR 194.A O no hydrogen 2.290 N/A ILE 198.A N THR 194.A O no hydrogen 2.978 N/A ILE 198.A N ILE 195.A O no hydrogen 3.280 N/A PHE 199.A N ILE 195.A O no hydrogen 2.891 N/A GLU 200.A N GLU 203.A OE1 no hydrogen 3.094 N/A LYS 201.A NZ ASP 202.A OD2 no hydrogen 3.314 N/A ILE 205.A N HIS 246.A O no hydrogen 3.198 N/A ASP 206.A N ARG 305.A O no hydrogen 2.886 N/A VAL 207.A N SER 243.A O no hydrogen 2.920 N/A ILE 208.A N THR 303.A O no hydrogen 2.850 N/A ALA 209.A N ARG 241.A O no hydrogen 2.963 N/A THR 211.A N HIS 239.A O no hydrogen 2.812 N/A THR 211.A OG1 HIS 239.A O no hydrogen 2.854 N/A HIS 214.A N MET 236.A O no hydrogen 2.986 N/A VAL 217.A N GLY 234.A O no hydrogen 2.996 N/A ARG 222.A N GLY 218.A O no hydrogen 2.901 N/A ARG 222.A NE GLN 235.A O no hydrogen 3.200 N/A ARG 222.A NH1 ARG 232.A O no hydrogen 2.891 N/A ARG 222.A NH2 GLN 235.A O no hydrogen 2.696 N/A TRP 223.A N VAL 219.A O no hydrogen 2.903 N/A TRP 223.A NE1 ARG 232.A O no hydrogen 2.852 N/A THR 225.A OG1 VAL 219.A O no hydrogen 3.478 N/A GLN 235.A NE2 GLY 237.A O no hydrogen 3.209 N/A MET 236.A N GLY 215.A O no hydrogen 3.084 N/A TYR 238.A N LYS 212.A O no hydrogen 2.800 N/A TYR 238.A OH HIS 14.A ND1 no hydrogen 2.636 N/A HIS 239.A N THR 211.A O no hydrogen 3.037 N/A HIS 239.A N THR 211.A OG1 no hydrogen 3.192 N/A ARG 241.A N ALA 209.A O no hydrogen 2.918 N/A ARG 241.A NH1 HIS 240.A O no hydrogen 3.118 N/A SER 243.A N VAL 207.A O no hydrogen 2.884 N/A ASN 245.A N ASP 206.A OD1 no hydrogen 3.112 N/A HIS 246.A N ILE 205.A O no hydrogen 3.007 N/A LYS 247.A NZ ASP 202.A O no hydrogen 3.005 N/A LYS 247.A NZ LYS 315.A O no hydrogen 3.086 N/A LYS 247.A NZ GLU 318.A O no hydrogen 2.881 N/A ILE 248.A N GLU 203.A O no hydrogen 3.244 N/A TYR 249.A N MET 289.A O no hydrogen 2.921 N/A TYR 249.A OH GLU 63.A OE2 no hydrogen 2.296 N/A ARG 250.A N MET 289.A O no hydrogen 3.039 N/A GLY 252.A N TYR 287.A O no hydrogen 2.875 N/A LYS 253.A NZ ASP 196.A OD2 no hydrogen 2.495 N/A LYS 253.A NZ ASP 286.A OD1 no hydrogen 3.055 N/A ASP 255.A N LYS 253.A O no hydrogen 2.694 N/A ALA 260.A N LYS 269.A O no hydrogen 2.892 N/A SER 261.A N ALA 258.A O no hydrogen 3.117 N/A SER 261.A OG ALA 258.A O no hydrogen 2.326 N/A THR 262.A N ASP 265.A OD1 no hydrogen 3.229 N/A THR 262.A OG1 THR 264.A OG1 no hydrogen 3.239 N/A THR 262.A OG1 ASP 265.A OD1 no hydrogen 2.096 N/A THR 262.A OG1 LYS 323.A O no hydrogen 2.248 N/A GLU 263.A N GLU 263.A OE1 no hydrogen 2.722 N/A THR 264.A OG1 THR 262.A OG1 no hydrogen 3.239 N/A LYS 269.A NZ ILE 325.A O no hydrogen 2.576 N/A LYS 269.A NZ THR 327.A OG1 no hydrogen 2.910 N/A LYS 270.A NZ GLY 254.A O no hydrogen 2.809 N/A MET 274.A N THR 327.A O no hydrogen 2.637 N/A GLY 276.A N PRO 273.A O no hydrogen 2.797 N/A PHE 277.A N GLY 281.A O no hydrogen 2.587 N/A TYR 280.A N PHE 277.A O no hydrogen 3.175 N/A TYR 280.A OH ASP 69.A OD1 no hydrogen 3.327 N/A GLY 281.A N PHE 277.A O no hydrogen 2.904 N/A VAL 283.A N THR 272.A OG1 no hydrogen 3.260 N/A TYR 287.A N GLY 252.A O no hydrogen 2.931 N/A TYR 287.A OH ASN 259.A O no hydrogen 3.011 N/A VAL 288.A N ILE 68.A O no hydrogen 2.877 N/A MET 289.A N ARG 250.A O no hydrogen 2.905 N/A ILE 290.A N THR 66.A O no hydrogen 2.936 N/A LYS 291.A N LYS 247.A O no hydrogen 2.942 N/A GLY 292.A N ALA 64.A O no hydrogen 2.833 N/A LYS 298.A NZ ALA 40.A O no hydrogen 3.116 N/A LYS 298.A NZ VAL 278.A O no hydrogen 3.221 N/A LYS 298.A NZ GLU 330.A OE1 no hydrogen 3.144 N/A LYS 299.A N LYS 39.A O no hydrogen 2.615 N/A LYS 299.A NZ ARG 279.A O no hydrogen 3.282 N/A ARG 300.A N VAL 297.A O no hydrogen 3.194 N/A ARG 300.A NH1 VAL 210.A O no hydrogen 2.381 N/A MET 302.A N GLY 37.A O no hydrogen 2.876 N/A THR 303.A N ILE 208.A O no hydrogen 2.955 N/A LEU 304.A N ALA 35.A O no hydrogen 2.804 N/A ARG 305.A N ASP 206.A O no hydrogen 2.935 N/A ARG 305.A NH1 LYS 306.A O no hydrogen 3.047 N/A SER 307.A OG MET 204.A O no hydrogen 3.064 N/A SER 307.A OG HIS 311.A NE2 no hydrogen 3.048 N/A HIS 311.A NE2 SER 307.A OG no hydrogen 3.048 N/A ALA 316.A N SER 313.A O no hydrogen 3.517 N/A LEU 317.A N ARG 314.A O no hydrogen 3.130 N/A LYS 319.A NZ LYS 319.A O no hydrogen 3.218 N/A LYS 323.A N VAL 46.A O no hydrogen 3.258 N/A LYS 323.A NZ GLU 60.A OE2 no hydrogen 2.452 N/A ASP 326.A N THR 44.A O no hydrogen 2.881 N/A THR 327.A N GLN 337.A OE1 no hydrogen 2.913 N/A THR 327.A OG1 ILE 325.A O no hydrogen 3.430 N/A SER 328.A N ASP 326.A OD1 no hydrogen 2.862 N/A SER 328.A OG ASP 326.A OD1 no hydrogen 2.723 N/A SER 329.A OG MET 274.A O no hydrogen 3.053 N/A GLN 337.A N GLU 341.A OE1 no hydrogen 2.945 N/A LYS 342.A N THR 338.A O no hydrogen 2.938 N/A LYS 343.A N ALA 339.A O no hydrogen 2.894 N/A LYS 343.A NZ ASP 352.A OD2 no hydrogen 3.555 N/A GLN 344.A N ALA 340.A O no hydrogen 2.921 N/A PHE 345.A N GLU 341.A O no hydrogen 2.903 N/A MET 346.A N LYS 342.A O no hydrogen 2.916 N/A GLY 347.A N LYS 343.A O no hydrogen 2.890 N/A LEU 349.A N ASP 352.A OD2 no hydrogen 3.400 N/A LEU 353.A N LEU 349.A O no hydrogen 2.939 N/A GLN 354.A N LYS 350.A O no hydrogen 2.912 N/A THR 355.A N LYS 351.A O no hydrogen 2.885 N/A THR 355.A OG1 LYS 351.A O no hydrogen 2.877 N/A SER 356.A N ASP 352.A O no hydrogen 2.926 N/A SER 356.A OG ASP 352.A O no hydrogen 2.987 N/A SER 356.A OG LEU 353.A O no hydrogen 3.513 N/A