Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7w3a_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 1.A N ASP 1.A OD1 no hydrogen 2.611 N/A SER 4.A N ASP 1.A O no hydrogen 3.137 N/A SER 4.A OG ASP 1.A O no hydrogen 2.525 N/A LYS 7.A N LEU 2.A O no hydrogen 3.182 N/A LYS 7.A NZ GLN 10.A OE1 no hydrogen 3.232 N/A LEU 9.A N ARG 5.A O no hydrogen 2.900 N/A GLN 10.A N TYR 6.A O no hydrogen 2.963 N/A GLN 11.A N LYS 7.A O no hydrogen 2.943 N/A GLU 12.A N LYS 8.A O no hydrogen 2.943 N/A LEU 13.A N LEU 9.A O no hydrogen 2.906 N/A GLU 14.A N GLN 10.A O no hydrogen 3.027 N/A PHE 15.A N GLN 11.A O no hydrogen 2.982 N/A LEU 16.A N GLU 12.A O no hydrogen 2.933 N/A GLU 17.A N LEU 13.A O no hydrogen 2.969 N/A VAL 18.A N GLU 14.A O no hydrogen 3.009 N/A GLN 19.A N PHE 15.A O no hydrogen 2.991 N/A GLU 20.A N LEU 16.A O no hydrogen 2.915 N/A GLU 21.A N GLU 17.A O no hydrogen 3.105 N/A GLU 21.A N GLU 21.A OE1 no hydrogen 3.237 N/A TYR 22.A N VAL 18.A O no hydrogen 2.958 N/A ILE 23.A N GLN 19.A O no hydrogen 2.962 N/A LYS 24.A N GLU 20.A O no hydrogen 3.018 N/A LYS 24.A NZ GLU 20.A OE2 no hydrogen 2.895 N/A ASP 25.A N GLU 21.A O no hydrogen 3.014 N/A GLU 26.A N TYR 22.A O no hydrogen 2.943 N/A GLN 27.A N ILE 23.A O no hydrogen 2.971 N/A LYS 28.A N LYS 24.A O no hydrogen 3.034 N/A ASN 29.A N ASP 25.A O no hydrogen 2.988 N/A LEU 30.A N GLU 26.A O no hydrogen 2.930 N/A LYS 31.A N GLN 27.A O no hydrogen 2.984 N/A GLU 33.A N ASN 29.A O no hydrogen 3.062 N/A PHE 34.A N LEU 30.A O no hydrogen 2.913 N/A LEU 35.A N LYS 31.A O no hydrogen 2.964 N/A HIS 36.A N LYS 32.A O no hydrogen 2.982 N/A HIS 36.A ND1 GLU 40.A OE2 no hydrogen 3.110 N/A ALA 37.A N GLU 33.A O no hydrogen 2.974 N/A GLN 38.A N PHE 34.A O no hydrogen 2.922 N/A GLU 39.A N LEU 35.A O no hydrogen 2.928 N/A GLU 40.A N HIS 36.A O no hydrogen 2.987 N/A VAL 41.A N ALA 37.A O no hydrogen 2.964 N/A LYS 42.A N GLN 38.A O no hydrogen 2.942 N/A ARG 43.A N GLU 39.A O no hydrogen 2.929 N/A GLN 45.A NE2 VAL 41.A O no hydrogen 2.874 N/A SER 46.A OG GLN 45.A O no hydrogen 2.963 N/A VAL 50.A N LEU 94.A O no hydrogen 3.101 N/A GLY 52.A N VAL 92.A O no hydrogen 2.891 N/A GLN 53.A N GLY 66.A O no hydrogen 2.734 N/A PHE 54.A N ALA 90.A O no hydrogen 3.219 N/A LEU 55.A N ILE 64.A O no hydrogen 3.263 N/A GLU 56.A N ILE 64.A O no hydrogen 3.160 N/A ASN 61.A N GLN 60.A OE1 no hydrogen 3.388 N/A THR 62.A OG1 ASN 61.A O no hydrogen 2.697 N/A ALA 63.A N VAL 75.A O no hydrogen 2.918 N/A ILE 64.A N GLU 56.A O no hydrogen 2.996 N/A VAL 65.A N TYR 73.A O no hydrogen 3.345 N/A GLY 66.A N GLN 53.A O no hydrogen 2.790 N/A SER 67.A N SER 71.A O no hydrogen 3.097 N/A SER 67.A OG THR 69.A OG1 no hydrogen 3.238 N/A THR 68.A OG1 ILE 51.A O no hydrogen 2.297 N/A THR 69.A N SER 67.A OG no hydrogen 3.067 N/A THR 69.A OG1 SER 67.A OG no hydrogen 3.238 N/A THR 69.A OG1 SER 71.A OG no hydrogen 2.918 N/A SER 71.A OG THR 69.A OG1 no hydrogen 2.918 N/A TYR 73.A N VAL 65.A O no hydrogen 3.274 N/A TYR 73.A N ASN 72.A OD1 no hydrogen 2.745 N/A VAL 75.A N ALA 63.A O no hydrogen 3.033 N/A ARG 76.A NH1 ASN 61.A OD1 no hydrogen 3.282 N/A ARG 83.A NE GLN 60.A OE1 no hydrogen 2.454 N/A ARG 83.A NH1 SER 79.A O no hydrogen 3.089 N/A ARG 83.A NH2 GLN 60.A OE1 no hydrogen 3.048 N/A ARG 83.A NH2 LEU 78.A O no hydrogen 2.586 N/A GLU 84.A N ASP 82.A OD2 no hydrogen 3.083 N/A LEU 86.A N ARG 83.A O no hydrogen 3.219 N/A LYS 87.A NZ LEU 55.A O no hydrogen 2.749 N/A LYS 87.A NZ ASN 89.A OD1 no hydrogen 2.587 N/A VAL 92.A N GLY 52.A O no hydrogen 2.668 N/A ALA 93.A N ASP 103.A O no hydrogen 2.808 N/A LEU 94.A N VAL 50.A O no hydrogen 2.961 N/A HIS 95.A N ALA 100.A O no hydrogen 2.995 N/A HIS 97.A N HIS 95.A ND1 no hydrogen 3.382 N/A SER 98.A N HIS 95.A ND1 no hydrogen 3.211 N/A LEU 101.A N ARG 76.A O no hydrogen 3.214 N/A VAL 102.A N ALA 93.A O no hydrogen 3.006 N/A VAL 104.A N ASP 103.A OD1 no hydrogen 2.788 N/A GLU 108.A N GLU 108.A OE1 no hydrogen 2.792 N/A ALA 109.A N PRO 106.A O no hydrogen 3.174 N/A LEU 116.A N PHE 189.A O no hydrogen 2.820 N/A SER 118.A N THR 117.A OG1 no hydrogen 2.493 N/A GLN 120.A NE2 MET 115.A O no hydrogen 2.549 N/A MET 125.A N ASP 128.A OD2 no hydrogen 2.799 N/A TYR 126.A N HIS 184.A NE2 no hydrogen 3.062 N/A ILE 129.A N ASP 128.A OD1 no hydrogen 2.589 N/A LYS 136.A N MET 132.A O no hydrogen 2.796 N/A GLN 137.A N ASP 133.A O no hydrogen 2.888 N/A GLU 138.A N ILE 134.A O no hydrogen 2.943 N/A VAL 139.A N GLN 135.A O no hydrogen 2.934 N/A ARG 140.A N LYS 136.A O no hydrogen 2.892 N/A GLU 141.A N GLN 137.A O no hydrogen 2.899 N/A ALA 142.A N GLU 138.A O no hydrogen 2.985 N/A VAL 143.A N VAL 139.A O no hydrogen 2.930 N/A GLU 144.A N ARG 140.A O no hydrogen 2.899 N/A LEU 145.A N ARG 140.A O no hydrogen 3.358 N/A LEU 145.A N GLU 141.A O no hydrogen 2.968 N/A LEU 147.A N GLU 144.A O no hydrogen 3.111 N/A THR 148.A N GLU 144.A O no hydrogen 3.359 N/A THR 148.A N LEU 145.A O no hydrogen 3.177 N/A THR 148.A OG1 LEU 145.A O no hydrogen 3.079 N/A THR 148.A OG1 HIS 149.A ND1 no hydrogen 2.760 N/A HIS 149.A N LEU 145.A O no hydrogen 2.937 N/A HIS 149.A ND1 THR 148.A OG1 no hydrogen 2.760 N/A LYS 154.A N PHE 150.A O no hydrogen 3.439 N/A GLN 155.A N GLU 151.A O no hydrogen 2.911 N/A ILE 158.A N TYR 153.A O no hydrogen 2.783 N/A ARG 162.A NH1 GLN 263.A OE1 no hydrogen 2.740 N/A ARG 162.A NH2 GLN 263.A OE1 no hydrogen 3.204 N/A VAL 164.A N VAL 269.A O no hydrogen 3.081 N/A LEU 165.A N ARG 291.A O no hydrogen 2.774 N/A TYR 167.A N ILE 293.A O no hydrogen 3.135 N/A CYS 172.A SG PRO 169.A O no hydrogen 3.278 N/A CYS 172.A SG PHE 295.A O no hydrogen 3.280 N/A LYS 174.A NZ PRO 169.A O no hydrogen 3.375 N/A LEU 177.A N GLY 173.A O no hydrogen 3.268 N/A ALA 178.A N LYS 174.A O no hydrogen 2.936 N/A LYS 179.A N THR 175.A O no hydrogen 2.875 N/A LYS 179.A NZ THR 175.A O no hydrogen 3.517 N/A ALA 180.A N MET 176.A O no hydrogen 2.911 N/A VAL 181.A N LEU 177.A O no hydrogen 2.903 N/A ALA 182.A N ALA 178.A O no hydrogen 3.195 N/A ALA 182.A N LYS 179.A O no hydrogen 3.194 N/A HIS 183.A N ALA 180.A O no hydrogen 3.275 N/A ALA 187.A N THR 185.A OG1 no hydrogen 3.101 N/A ILE 190.A N ILE 223.A O no hydrogen 3.307 N/A VAL 192.A N PHE 225.A O no hydrogen 3.194 N/A GLU 196.A N GLU 196.A OE1 no hydrogen 2.646 N/A GLN 199.A N GLU 204.A OE2 no hydrogen 2.802 N/A GLN 199.A NE2 GLU 196.A O no hydrogen 2.863 N/A ARG 207.A N GLY 203.A O no hydrogen 3.379 N/A MET 208.A N GLU 204.A O no hydrogen 2.909 N/A VAL 209.A N GLY 205.A O no hydrogen 2.957 N/A ARG 210.A N PRO 206.A O no hydrogen 2.896 N/A ARG 210.A NE PRO 206.A O no hydrogen 2.985 N/A ASP 211.A N ARG 207.A O no hydrogen 2.925 N/A VAL 212.A N MET 208.A O no hydrogen 2.847 N/A PHE 213.A N VAL 209.A O no hydrogen 2.975 N/A ARG 214.A N ARG 210.A O no hydrogen 2.874 N/A ARG 214.A NH2 ASP 211.A OD1 no hydrogen 2.426 N/A LEU 215.A N ASP 211.A O no hydrogen 2.929 N/A ALA 216.A N VAL 212.A O no hydrogen 2.924 N/A LYS 217.A N PHE 213.A O no hydrogen 2.894 N/A LYS 217.A NZ PHE 261.A O no hydrogen 3.132 N/A GLU 218.A N ARG 214.A O no hydrogen 2.904 N/A GLU 218.A N LEU 215.A O no hydrogen 3.190 N/A ASN 219.A N LEU 215.A O no hydrogen 2.932 N/A ALA 222.A N ASN 266.A O no hydrogen 3.134 N/A ILE 223.A N ALA 188.A O no hydrogen 2.816 N/A ILE 224.A N LYS 268.A O no hydrogen 2.965 N/A PHE 225.A N ILE 190.A O no hydrogen 3.164 N/A ILE 226.A N ILE 270.A O no hydrogen 3.330 N/A ILE 229.A N ALA 272.A O no hydrogen 3.174 N/A ALA 231.A N GLU 228.A O no hydrogen 3.431 N/A ILE 232.A N ILE 229.A O no hydrogen 3.300 N/A ALA 233.A N ILE 229.A O no hydrogen 2.899 N/A ASP 238.A N GLN 248.A OE1 no hydrogen 3.346 N/A ARG 245.A NH2 GLN 240.A OE1 no hydrogen 2.679 N/A GLU 246.A N ALA 243.A O no hydrogen 3.424 N/A GLN 248.A N ASP 244.A O no hydrogen 2.973 N/A ARG 249.A N ARG 245.A O no hydrogen 2.920 N/A ILE 250.A N GLU 246.A O no hydrogen 2.843 N/A LEU 251.A N VAL 247.A O no hydrogen 2.986 N/A LEU 252.A N GLN 248.A O no hydrogen 2.932 N/A GLU 253.A N ARG 249.A O no hydrogen 2.862 N/A LEU 254.A N ILE 250.A O no hydrogen 2.902 N/A LEU 255.A N LEU 251.A O no hydrogen 2.949 N/A ASN 256.A N LEU 252.A O no hydrogen 2.928 N/A GLN 257.A N GLU 253.A O no hydrogen 2.920 N/A GLN 257.A N LEU 254.A O no hydrogen 3.324 N/A MET 258.A N LEU 254.A O no hydrogen 2.936 N/A ASP 259.A N LEU 255.A O no hydrogen 2.979 N/A ASN 264.A N ASP 262.A OD1 no hydrogen 2.812 N/A ASN 264.A ND2 ASP 262.A OD2 no hydrogen 3.532 N/A VAL 265.A N ASP 262.A OD1 no hydrogen 2.537 N/A VAL 267.A N VAL 265.A O no hydrogen 2.721 N/A LYS 268.A N ALA 222.A O no hydrogen 3.272 N/A LYS 268.A NZ VAL 267.A O no hydrogen 3.300 N/A ILE 270.A N ILE 224.A O no hydrogen 3.217 N/A MET 271.A N VAL 164.A O no hydrogen 2.783 N/A THR 273.A N MET 166.A O no hydrogen 3.134 N/A THR 273.A OG1 ARG 275.A O no hydrogen 3.263 N/A ARG 275.A N THR 273.A OG1 no hydrogen 3.123 N/A LEU 283.A N ASP 280.A O no hydrogen 3.128 N/A LEU 284.A N PRO 281.A O no hydrogen 3.031 N/A ARG 288.A N ARG 285.A O no hydrogen 3.030 N/A ARG 288.A NE ASP 259.A OD2 no hydrogen 2.466 N/A ARG 288.A NH1 ALA 282.A O no hydrogen 3.095 N/A LEU 289.A N ARG 285.A O no hydrogen 2.783 N/A LYS 292.A NZ LEU 284.A O no hydrogen 2.852 N/A LYS 292.A NZ LEU 289.A O no hydrogen 2.960 N/A ILE 293.A N LEU 165.A O no hydrogen 2.916 N/A PHE 295.A N TYR 167.A O no hydrogen 2.736 N/A LYS 303.A N ASP 299.A O no hydrogen 2.534 N/A LYS 303.A NZ PRO 329.A O no hydrogen 2.818 N/A ARG 304.A N ARG 300.A O no hydrogen 2.952 N/A ARG 304.A NE ARG 300.A O no hydrogen 2.604 N/A LEU 305.A N ARG 301.A O no hydrogen 2.977 N/A ILE 306.A N GLN 302.A O no hydrogen 2.869 N/A PHE 307.A N LYS 303.A O no hydrogen 2.943 N/A SER 308.A N ARG 304.A O no hydrogen 2.930 N/A SER 308.A OG ARG 304.A O no hydrogen 3.091 N/A SER 308.A OG LEU 305.A O no hydrogen 2.725 N/A THR 309.A N LEU 305.A O no hydrogen 2.928 N/A THR 309.A OG1 LEU 305.A O no hydrogen 2.638 N/A THR 309.A OG1 ILE 306.A O no hydrogen 2.923 N/A ILE 310.A N ILE 306.A O no hydrogen 2.939 N/A THR 311.A N PHE 307.A O no hydrogen 2.891 N/A THR 311.A OG1 PHE 307.A O no hydrogen 2.243 N/A THR 311.A OG1 SER 308.A O no hydrogen 3.316 N/A SER 312.A OG THR 309.A O no hydrogen 2.792 N/A MET 314.A N THR 311.A O no hydrogen 3.164 N/A SER 317.A OG GLU 319.A OE2 no hydrogen 3.329 N/A SER 317.A OG VAL 356.A O no hydrogen 3.013 N/A GLU 318.A N GLU 318.A OE1 no hydrogen 2.683 N/A VAL 320.A N SER 317.A O no hydrogen 3.240 N/A ASP 324.A N ASP 321.A O no hydrogen 3.260 N/A TYR 325.A N LEU 322.A O no hydrogen 2.920 N/A ARG 328.A NH1 ASP 324.A O no hydrogen 2.347 N/A ARG 328.A NH2 ASP 324.A O no hydrogen 3.093 N/A ILE 332.A N PRO 329.A O no hydrogen 3.312 N/A SER 333.A N ASP 336.A OD2 no hydrogen 2.531 N/A SER 333.A OG ASP 336.A OD1 no hydrogen 3.178 N/A SER 333.A OG ASP 336.A OD2 no hydrogen 3.085 N/A SER 339.A N ALA 335.A O no hydrogen 2.945 N/A SER 339.A OG ALA 335.A O no hydrogen 3.431 N/A SER 339.A OG ASP 336.A O no hydrogen 2.657 N/A ILE 340.A N ASP 336.A O no hydrogen 2.881 N/A CYS 341.A N ILE 337.A O no hydrogen 2.946 N/A CYS 341.A SG ILE 337.A O no hydrogen 3.527 N/A GLN 342.A N ASN 338.A O no hydrogen 2.906 N/A GLU 343.A N SER 339.A O no hydrogen 2.965 N/A SER 344.A N ILE 340.A O no hydrogen 2.958 N/A SER 344.A OG ILE 340.A O no hydrogen 3.302 N/A SER 344.A OG CYS 341.A O no hydrogen 2.649 N/A GLY 345.A N CYS 341.A O no hydrogen 2.932 N/A MET 346.A N GLN 342.A O no hydrogen 3.004 N/A LEU 347.A N GLU 343.A O no hydrogen 2.841 N/A ALA 348.A N SER 344.A O no hydrogen 2.912 N/A VAL 349.A N GLY 345.A O no hydrogen 2.942 N/A ARG 350.A N MET 346.A O no hydrogen 2.867 N/A GLU 351.A N LEU 347.A O no hydrogen 2.967 N/A ASN 352.A N VAL 349.A O no hydrogen 3.040 N/A ARG 353.A N ALA 348.A O no hydrogen 2.990 N/A ARG 353.A NE ILE 355.A O no hydrogen 2.694 N/A LEU 357.A N ASP 360.A OD2 no hydrogen 2.729 N/A GLU 362.A N ALA 358.A O no hydrogen 2.945 N/A LYS 363.A N LYS 359.A O no hydrogen 2.889 N/A ALA 364.A N ASP 360.A O no hydrogen 2.865 N/A TYR 365.A N PHE 361.A O no hydrogen 2.953 N/A TYR 365.A OH TYR 325.A O no hydrogen 2.268 N/A LYS 366.A N GLU 362.A O no hydrogen 2.942 N/A THR 367.A N ALA 364.A O no hydrogen 3.157 N/A THR 367.A OG1 LYS 363.A O no hydrogen 2.443 N/A VAL 368.A N ALA 364.A O no hydrogen 2.932 N/A GLU 373.A N ASP 372.A OD1 no hydrogen 2.413 N/A