Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7aoi_XP.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 1.A ND1 ALA 2.A O no hydrogen 3.069 N/A TYR 4.A OH TRP 93.A O no hydrogen 3.112 N/A ALA 11.A N SER 8.A OG no hydrogen 3.416 N/A ARG 12.A N SER 8.A O no hydrogen 2.884 N/A GLN 13.A N LEU 9.A O no hydrogen 2.953 N/A THR 14.A N ARG 10.A O no hydrogen 2.876 N/A THR 14.A OG1 ARG 10.A O no hydrogen 2.879 N/A LEU 15.A N ALA 11.A O no hydrogen 2.903 N/A SER 16.A N ARG 12.A O no hydrogen 2.910 N/A SER 16.A OG ARG 12.A O no hydrogen 2.849 N/A GLU 17.A N GLN 13.A O no hydrogen 2.936 N/A LYS 18.A N THR 14.A O no hydrogen 2.895 N/A SER 19.A N LEU 15.A O no hydrogen 2.911 N/A SER 19.A OG GLN 96.A OE1 no hydrogen 3.062 N/A ASP 21.A N SER 19.A OG no hydrogen 3.370 N/A GLN 23.A N VAL 87.A O no hydrogen 2.891 N/A HIS 25.A N LEU 85.A O no hydrogen 2.910 N/A HIS 25.A NE2 TYR 44.A OH no hydrogen 2.700 N/A VAL 27.A N GLU 83.A O no hydrogen 2.931 N/A ARG 35.A NE ASP 37.A OD1 no hydrogen 3.062 N/A ARG 35.A NH1 ASP 37.A OD2 no hydrogen 2.494 N/A VAL 36.A N ASP 77.A O no hydrogen 3.280 N/A ASP 37.A N LEU 75.A O no hydrogen 3.335 N/A SER 38.A OG ARG 35.A O no hydrogen 2.799 N/A PHE 39.A N ARG 35.A O no hydrogen 2.893 N/A LEU 40.A N VAL 36.A O no hydrogen 2.917 N/A THR 41.A N ASP 37.A O no hydrogen 2.875 N/A THR 41.A OG1 ASP 37.A O no hydrogen 2.807 N/A CYS 42.A N SER 38.A O no hydrogen 2.906 N/A CYS 42.A SG SER 38.A O no hydrogen 3.150 N/A HIS 43.A N PHE 39.A O no hydrogen 2.942 N/A TYR 44.A N LEU 40.A O no hydrogen 2.874 N/A TYR 44.A OH HIS 25.A NE2 no hydrogen 2.700 N/A GLN 46.A N GLN 46.A OE1 no hydrogen 2.529 N/A TRP 47.A N TYR 44.A O no hydrogen 3.239 N/A TYR 49.A OH ASP 37.A OD2 no hydrogen 3.017 N/A ILE 52.A N ASP 48.A O no hydrogen 2.918 N/A LYS 53.A N TYR 49.A O no hydrogen 2.891 N/A ARG 54.A N GLU 50.A O no hydrogen 2.922 N/A LEU 55.A N THR 51.A O no hydrogen 2.922 N/A VAL 56.A N ILE 52.A O no hydrogen 2.940 N/A GLN 57.A N LYS 53.A O no hydrogen 2.878 N/A GLN 58.A N ARG 54.A O no hydrogen 2.909 N/A GLY 59.A N VAL 56.A O no hydrogen 3.411 N/A ILE 61.A N LEU 55.A O no hydrogen 3.481 N/A TYR 62.A N VAL 86.A O no hydrogen 3.006 N/A ARG 63.A N LYS 71.A O no hydrogen 3.150 N/A TYR 64.A N LEU 84.A O no hydrogen 2.851 N/A ARG 65.A NE GLU 80.A OE1 no hydrogen 3.167 N/A ARG 65.A NE GLU 80.A OE2 no hydrogen 3.314 N/A ARG 65.A NH2 GLU 80.A OE1 no hydrogen 3.131 N/A LYS 70.A NZ GLN 13.A OE1 no hydrogen 2.621 N/A LYS 71.A N ARG 63.A O no hydrogen 2.899 N/A THR 73.A OG1 ARG 74.A O no hydrogen 3.073 N/A THR 73.A OG1 ASP 77.A OD2 no hydrogen 3.306 N/A ARG 74.A N ASP 77.A OD2 no hydrogen 3.456 N/A ASP 77.A N ARG 74.A O no hydrogen 3.417 N/A ARG 78.A NH1 GLY 33.A O no hydrogen 3.491 N/A LEU 79.A N GLU 34.A O no hydrogen 3.430 N/A GLU 80.A N GLU 83.A OE2 no hydrogen 2.953 N/A ASP 82.A N VAL 27.A O no hydrogen 2.993 N/A LEU 84.A N TYR 64.A O no hydrogen 2.929 N/A LEU 85.A N HIS 25.A O no hydrogen 2.865 N/A VAL 86.A N TYR 62.A O no hydrogen 2.845 N/A VAL 87.A N GLN 23.A O no hydrogen 2.926 N/A THR 89.A OG1 ASP 21.A O no hydrogen 3.432 N/A TRP 93.A N THR 89.A O no hydrogen 2.930 N/A GLU 94.A N ARG 90.A O no hydrogen 2.909 N/A LYS 95.A N ALA 91.A O no hydrogen 2.899 N/A GLN 96.A N GLU 94.A O no hydrogen 2.769 N/A THR 117.A N SER 115.A OG no hydrogen 3.409 N/A ARG 119.A N SER 115.A O no hydrogen 2.911 N/A GLU 120.A N ALA 116.A O no hydrogen 2.900 N/A MET 121.A N THR 117.A O no hydrogen 2.895 N/A ALA 122.A N ALA 118.A O no hydrogen 2.898 N/A HIS 123.A N ARG 119.A O no hydrogen 2.895 N/A ASN 124.A N GLU 120.A O no hydrogen 2.918 N/A MET 125.A N MET 121.A O no hydrogen 2.872 N/A VAL 126.A N ALA 122.A O no hydrogen 2.962 N/A LEU 127.A N VAL 135.A O no hydrogen 2.906 N/A PHE 128.A N VAL 135.A O no hydrogen 2.892 N/A ASN 130.A N VAL 133.A O no hydrogen 3.004 N/A HIS 132.A N ASN 130.A OD1 no hydrogen 2.621 N/A VAL 133.A N ASN 130.A OD1 no hydrogen 2.567 N/A ILE 134.A N LEU 186.A O no hydrogen 2.887 N/A VAL 135.A N PHE 128.A O no hydrogen 2.874 N/A ILE 136.A N VAL 184.A O no hydrogen 2.937 N/A ASN 137.A N MET 125.A O no hydrogen 3.137 N/A LYS 138.A N ILE 136.A O no hydrogen 3.151 N/A LYS 138.A N GLY 182.A O no hydrogen 2.865 N/A LYS 138.A NZ ASP 177.A O no hydrogen 2.359 N/A LYS 138.A NZ THR 180.A O no hydrogen 2.337 N/A HIS 140.A ND1 GLU 179.A O no hydrogen 2.427 N/A THR 147.A OG1 GLU 152.A OE1 no hydrogen 2.611 N/A GLU 152.A N PRO 150.A O no hydrogen 2.977 N/A SER 154.A OG MET 144.A O no hydrogen 2.351 N/A ILE 155.A N PRO 143.A O no hydrogen 3.175 N/A ALA 156.A N MET 144.A O no hydrogen 3.002 N/A MET 158.A N SER 154.A O no hydrogen 2.935 N/A LEU 159.A N ALA 156.A O no hydrogen 3.355 N/A ALA 161.A N MET 158.A O no hydrogen 2.793 N/A TRP 162.A N LEU 159.A O no hydrogen 3.352 N/A LYS 163.A N PRO 160.A O no hydrogen 3.284 N/A THR 165.A OG1 THR 165.A O no hydrogen 2.570 N/A VAL 171.A N ALA 187.A O no hydrogen 2.935 N/A CYS 173.A N VAL 185.A O no hydrogen 2.914 N/A CYS 173.A SG VAL 171.A O no hydrogen 3.966 N/A THR 180.A OG1 LEU 325.A O no hydrogen 3.559 N/A SER 181.A OG HIS 326.A ND1 no hydrogen 3.352 N/A GLY 182.A N LYS 138.A O no hydrogen 2.949 N/A CYS 183.A N HIS 327.A O no hydrogen 3.364 N/A CYS 183.A SG VAL 344.A O no hydrogen 3.523 N/A VAL 184.A N ILE 136.A O no hydrogen 2.901 N/A LEU 186.A N ILE 134.A O no hydrogen 2.858 N/A ALA 187.A N VAL 171.A O no hydrogen 2.862 N/A ARG 188.A N HIS 132.A O no hydrogen 2.762 N/A ARG 188.A NH2 ASN 166.A OD1 no hydrogen 3.293 N/A ARG 190.A NE GLU 50.A OE2 no hydrogen 2.791 N/A HIS 193.A N THR 189.A O no hydrogen 2.876 N/A ARG 194.A N ARG 190.A O no hydrogen 2.915 N/A MET 195.A N ASN 191.A O no hydrogen 2.924 N/A LEU 196.A N ALA 192.A O no hydrogen 2.874 N/A GLY 197.A N HIS 193.A O no hydrogen 2.896 N/A MET 199.A N LEU 196.A O no hydrogen 3.188 N/A ARG 203.A N LEU 275.A O no hydrogen 2.971 N/A ARG 203.A NE ASN 207.A OD1 no hydrogen 3.146 N/A ARG 203.A NH1 VAL 201.A O no hydrogen 2.960 N/A SER 208.A OG ASN 207.A OD1 no hydrogen 3.425 N/A VAL 209.A N ARG 328.A O no hydrogen 2.978 N/A TYR 210.A N PHE 272.A O no hydrogen 2.872 N/A TRP 211.A N HIS 326.A O no hydrogen 2.888 N/A TRP 211.A NE1 ASP 367.A OD2 no hydrogen 3.348 N/A SER 212.A N ILE 270.A O no hydrogen 2.893 N/A SER 212.A OG ILE 270.A O no hydrogen 3.384 N/A PHE 213.A N HIS 324.A O no hydrogen 2.925 N/A CYS 214.A N SER 268.A O no hydrogen 2.897 N/A CYS 214.A SG SER 212.A OG no hydrogen 3.445 N/A VAL 215.A N PRO 293.A O no hydrogen 2.636 N/A GLY 216.A N PHE 266.A O no hydrogen 2.431 N/A LYS 217.A NZ SER 262.A OG no hydrogen 3.114 N/A GLY 223.A N PHE 257.A O no hydrogen 2.927 N/A VAL 225.A N ALA 255.A O no hydrogen 2.873 N/A MET 227.A N ALA 253.A O no hydrogen 2.943 N/A HIS 228.A N ARG 243.A O no hydrogen 2.905 N/A PHE 229.A N LYS 251.A O no hydrogen 2.871 N/A ASP 230.A N VAL 241.A O no hydrogen 2.878 N/A THR 232.A N ILE 239.A O no hydrogen 2.903 N/A ARG 233.A NH1 ASP 238.A OD1 no hydrogen 2.485 N/A GLY 234.A N GLY 237.A O no hydrogen 3.069 N/A ILE 239.A N THR 232.A O no hydrogen 2.893 N/A ARG 243.A N HIS 228.A O no hydrogen 2.910 N/A SER 250.A N THR 247.A O no hydrogen 3.369 N/A SER 250.A OG THR 247.A O no hydrogen 2.927 N/A LYS 251.A N PHE 229.A O no hydrogen 2.900 N/A ALA 255.A N VAL 225.A O no hydrogen 2.927 N/A GLU 256.A N TYR 273.A O no hydrogen 2.902 N/A PHE 257.A N GLY 223.A O no hydrogen 2.901 N/A VAL 258.A N SER 271.A O no hydrogen 2.935 N/A VAL 259.A N ASN 221.A O no hydrogen 2.629 N/A ALA 261.A N PHE 269.A O no hydrogen 3.440 N/A GLU 265.A N GLU 265.A OE1 no hydrogen 2.580 N/A SER 268.A N CYS 214.A O no hydrogen 2.906 N/A PHE 269.A N ALA 261.A O no hydrogen 2.995 N/A ILE 270.A N SER 212.A O no hydrogen 2.903 N/A SER 271.A N VAL 258.A O no hydrogen 2.879 N/A SER 271.A OG VAL 258.A O no hydrogen 3.089 N/A SER 271.A OG ASN 260.A OD1 no hydrogen 3.436 N/A SER 271.A OG TYR 273.A OH no hydrogen 3.282 N/A PHE 272.A N TYR 210.A O no hydrogen 2.891 N/A TYR 273.A N GLU 256.A O no hydrogen 2.869 N/A TYR 273.A OH SER 271.A OG no hydrogen 3.282 N/A TYR 273.A OH ASP 367.A OD1 no hydrogen 3.045 N/A TYR 273.A OH ASP 367.A OD2 no hydrogen 2.884 N/A LEU 275.A N ILE 254.A O no hydrogen 2.892 N/A ARG 278.A NE VAL 252.A O no hydrogen 2.687 N/A HIS 280.A ND1 TYR 300.A OH no hydrogen 3.109 N/A GLN 281.A NE2 THR 276.A O no hydrogen 2.410 N/A GLN 281.A NE2 GLU 282.A OE2 no hydrogen 2.768 N/A GLU 282.A N GLU 282.A OE1 no hydrogen 2.749 N/A ARG 283.A NE ASP 297.A OD2 no hydrogen 2.862 N/A ARG 283.A NH2 ASP 297.A OD1 no hydrogen 2.813 N/A ILE 284.A N HIS 280.A O no hydrogen 2.903 N/A MET 285.A N GLN 281.A O no hydrogen 2.865 N/A ALA 286.A N GLU 282.A O no hydrogen 2.921 N/A ALA 287.A N ARG 283.A O no hydrogen 2.898 N/A HIS 288.A N ILE 284.A O no hydrogen 2.899 N/A HIS 288.A ND1 ILE 284.A O no hydrogen 3.299 N/A LEU 290.A N MET 285.A O no hydrogen 2.814 N/A CYS 292.A N ALA 286.A O no hydrogen 2.654 N/A CYS 292.A SG LEU 290.A O no hydrogen 3.517 N/A CYS 292.A SG ARG 291.A O no hydrogen 3.143 N/A LEU 295.A N PHE 213.A O no hydrogen 2.711 N/A ASP 297.A N VAL 294.A O no hydrogen 3.238 N/A TYR 300.A N ASP 297.A OD1 no hydrogen 3.084 N/A TYR 300.A OH HIS 280.A ND1 no hydrogen 3.109 N/A ALA 304.A N GLY 301.A O no hydrogen 2.772 N/A ALA 305.A N GLY 301.A O no hydrogen 2.590 N/A SER 311.A N SER 308.A O no hydrogen 3.257 N/A SER 311.A OG SER 308.A O no hydrogen 2.657 N/A PHE 313.A N LEU 310.A O no hydrogen 3.148 N/A TRP 314.A N LEU 310.A O no hydrogen 2.796 N/A TRP 314.A NE1 THR 355.A OG1 no hydrogen 2.808 N/A GLU 317.A N GLU 317.A OE1 no hydrogen 2.412 N/A ASN 318.A N ASP 315.A O no hydrogen 3.101 N/A LYS 319.A NZ ASP 303.A OD1 no hydrogen 3.124 N/A GLY 320.A N ASN 318.A OD1 no hydrogen 3.142 N/A HIS 324.A ND1 PRO 322.A O no hydrogen 2.990 N/A HIS 324.A NE2 THR 355.A OG1 no hydrogen 3.072 N/A HIS 326.A N TRP 211.A O no hydrogen 2.894 N/A HIS 326.A ND1 SER 181.A OG no hydrogen 3.352 N/A HIS 326.A NE2 ALA 346.A O no hydrogen 2.883 N/A HIS 327.A N SER 181.A O no hydrogen 2.865 N/A HIS 327.A ND1 CYS 183.A O no hydrogen 2.602 N/A ARG 328.A N VAL 209.A O no hydrogen 2.863 N/A LYS 329.A NZ ASP 366.A OD1 no hydrogen 3.397 N/A ILE 330.A N VAL 344.A O no hydrogen 2.906 N/A GLN 331.A N ASN 207.A O no hydrogen 2.876 N/A LEU 332.A N ILE 342.A O no hydrogen 2.910 N/A ASN 336.A N GLU 340.A O no hydrogen 3.054 N/A GLY 339.A N ASN 336.A O no hydrogen 3.058 N/A GLU 340.A N ASN 336.A OD1 no hydrogen 2.907 N/A ILE 342.A N TYR 334.A O no hydrogen 3.099 N/A CYS 343.A SG PHE 341.A O no hydrogen 3.891 N/A CYS 343.A SG ILE 370.A O no hydrogen 3.871 N/A CYS 343.A SG PRO 371.A O no hydrogen 3.123 N/A VAL 344.A N ILE 330.A O no hydrogen 2.895 N/A GLN 351.A N GLN 351.A OE1 no hydrogen 2.478 N/A GLN 351.A NE2 LEU 323.A O no hydrogen 3.294 N/A GLU 353.A N PRO 349.A O no hydrogen 2.912 N/A LYS 354.A N THR 350.A O no hydrogen 2.891 N/A LYS 354.A NZ PHE 313.A O no hydrogen 3.209 N/A THR 355.A N GLN 351.A O no hydrogen 2.927 N/A THR 355.A OG1 HIS 324.A NE2 no hydrogen 3.072 N/A THR 355.A OG1 GLN 351.A O no hydrogen 3.075 N/A PHE 356.A N MET 352.A O no hydrogen 2.930 N/A LYS 357.A N GLU 353.A O no hydrogen 2.897 N/A LYS 358.A N LYS 354.A O no hydrogen 2.907 N/A LEU 359.A N THR 355.A O no hydrogen 2.932 N/A GLY 360.A N LYS 357.A O no hydrogen 3.033 N/A CYS 363.A SG GLU 353.A O no hydrogen 3.917 N/A LEU 369.A N ASP 367.A OD1 no hydrogen 3.049 N/A ILE 370.A N ASP 367.A O no hydrogen 3.390 N/A