Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3duz_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 9.A OG1 TYR 12.A OH no hydrogen 3.129 N/A TYR 12.A OH THR 9.A OG1 no hydrogen 3.129 N/A THR 25.A N LEU 209.A O no hydrogen 2.853 N/A GLN 27.A N CYS 207.A O no hydrogen 2.901 N/A VAL 30.A N ALA 205.A O no hydrogen 2.774 N/A ILE 32.A N ILE 203.A O no hydrogen 2.835 N/A THR 33.A N LYS 248.A O no hydrogen 2.868 N/A THR 33.A OG1 GLN 202.A OE1 no hydrogen 2.660 N/A ILE 34.A N ARG 201.A O no hydrogen 2.801 N/A VAL 35.A N CYS 246.A O no hydrogen 2.767 N/A GLU 36.A N THR 199.A O no hydrogen 2.865 N/A THR 37.A N ASN 244.A O no hydrogen 3.014 N/A THR 37.A OG1 THR 197.A O no hydrogen 3.215 N/A GLU 41.A N MET 150.A O no hydrogen 2.755 N/A VAL 43.A N SER 148.A O no hydrogen 2.645 N/A ILE 44.A N ILE 191.A O no hydrogen 3.080 N/A ILE 45.A N SER 146.A O no hydrogen 2.660 N/A GLY 46.A N SER 189.A O no hydrogen 2.949 N/A TYR 47.A N GLY 144.A O no hydrogen 3.110 N/A LYS 48.A NZ GLU 91.A O no hydrogen 2.732 N/A LYS 48.A NZ GLU 112.A O no hydrogen 3.039 N/A LYS 48.A NZ GLY 113.A O no hydrogen 2.935 N/A TYR 50.A N LYS 72.A O no hydrogen 3.067 N/A TYR 50.A OH ASN 111.A OD1 no hydrogen 2.938 N/A TYR 51.A N SER 140.A O no hydrogen 2.918 N/A TYR 51.A OH GLU 69.A OE1 no hydrogen 2.454 N/A GLN 52.A N THR 70.A O no hydrogen 2.817 N/A ALA 53.A N ASN 138.A O no hydrogen 2.822 N/A TYR 54.A N GLU 68.A O no hydrogen 2.988 N/A ALA 55.A N THR 136.A O no hydrogen 2.820 N/A TYR 56.A N ARG 66.A O no hydrogen 3.135 N/A ASN 57.A N HIS 134.A O no hydrogen 3.184 N/A ASN 57.A ND2 ASN 129.A O no hydrogen 3.360 N/A GLY 58.A N THR 65.A OG1 no hydrogen 2.853 N/A GLY 59.A N ASN 57.A OD1 no hydrogen 2.873 N/A ASP 62.A N GLY 59.A O no hydrogen 3.292 N/A ASN 64.A N ASP 62.A OD1 no hydrogen 2.957 N/A THR 65.A N ASP 62.A O no hydrogen 3.352 N/A THR 65.A OG1 GLY 59.A O no hydrogen 2.663 N/A THR 65.A OG1 ASP 62.A O no hydrogen 3.433 N/A ARG 66.A N TYR 56.A O no hydrogen 3.300 N/A ARG 66.A NH1 ASN 64.A OD1 no hydrogen 3.042 N/A GLU 68.A N TYR 54.A O no hydrogen 2.953 N/A THR 70.A N GLN 52.A O no hydrogen 2.955 N/A LEU 74.A N LYS 48.A O no hydrogen 2.985 N/A VAL 76.A N SER 189.A OG no hydrogen 2.989 N/A LEU 81.A N GLY 77.A O no hydrogen 2.788 N/A LEU 82.A N LYS 78.A O no hydrogen 2.915 N/A MET 83.A N GLU 79.A O no hydrogen 2.970 N/A TRP 84.A N ASP 80.A O no hydrogen 2.724 N/A SER 85.A N LEU 81.A O no hydrogen 3.085 N/A ILE 86.A N LEU 82.A O no hydrogen 2.986 N/A ARG 87.A N MET 83.A O no hydrogen 3.089 N/A ARG 87.A N TRP 84.A O no hydrogen 3.242 N/A ARG 87.A NE GLN 89.A OE1 no hydrogen 3.019 N/A GLN 88.A N SER 85.A O no hydrogen 3.141 N/A GLN 88.A NE2 SER 85.A O no hydrogen 2.658 N/A GLN 89.A N TRP 84.A O no hydrogen 3.160 N/A CYS 90.A N VAL 118.A O no hydrogen 3.034 N/A VAL 92.A N GLN 116.A O no hydrogen 2.888 N/A LEU 96.A N LYS 139.A O no hydrogen 3.237 N/A ASP 98.A N ASN 138.A OD1 no hydrogen 3.048 N/A ARG 99.A N CYS 137.A O no hydrogen 3.140 N/A ARG 99.A NE ASP 106.A OD2 no hydrogen 2.758 N/A ARG 99.A NH2 ASP 106.A OD2 no hydrogen 3.296 N/A GLY 101.A N HIS 135.A O no hydrogen 3.273 N/A ASP 103.A N TRP 100.A O no hydrogen 3.043 N/A SER 104.A OG GLY 101.A O no hydrogen 2.613 N/A SER 104.A OG HIS 135.A O no hydrogen 2.976 N/A ASP 106.A N ASP 103.A O no hydrogen 2.996 N/A PHE 108.A N ASP 105.A O no hydrogen 3.067 N/A ARG 109.A N ASP 106.A O no hydrogen 3.194 N/A GLU 112.A N ASP 110.A OD1 no hydrogen 3.077 N/A GLY 113.A N ASP 110.A OD1 no hydrogen 2.893 N/A ARG 114.A N ASP 110.A OD2 no hydrogen 3.053 N/A ARG 114.A NE GLU 112.A OE1 no hydrogen 3.447 N/A ARG 114.A NH1 ASP 80.A OD2 no hydrogen 2.672 N/A ARG 114.A NH1 GLU 91.A OE1 no hydrogen 2.886 N/A ARG 114.A NH2 ASP 80.A OD2 no hydrogen 3.040 N/A ARG 114.A NH2 GLU 112.A OE1 no hydrogen 3.112 N/A GLY 115.A N GLU 91.A OE2 no hydrogen 2.769 N/A GLN 116.A N VAL 92.A O no hydrogen 2.883 N/A VAL 118.A N CYS 90.A O no hydrogen 3.175 N/A LYS 121.A N CYS 143.A O no hydrogen 2.919 N/A LYS 121.A NZ GLU 95.A OE1 no hydrogen 3.193 N/A LYS 121.A NZ GLU 95.A OE2 no hydrogen 2.820 N/A LYS 121.A NZ GLU 122.A O no hydrogen 3.131 N/A LYS 121.A NZ TRP 141.A O no hydrogen 2.753 N/A LEU 123.A N GLU 122.A OE2 no hydrogen 2.920 N/A VAL 124.A N SER 140.A OG no hydrogen 2.757 N/A LYS 125.A NZ MET 411.A O no hydrogen 2.744 N/A ARG 126.A N VAL 124.A O no hydrogen 2.785 N/A ARG 126.A NH1 GLU 95.A OE2 no hydrogen 3.243 N/A GLN 127.A N LYS 415.A O no hydrogen 2.868 N/A ASN 128.A ND2 ASP 98.A OD1 no hydrogen 3.052 N/A ASN 128.A ND2 ASN 130.A OD1 no hydrogen 2.986 N/A ASN 130.A N ASN 130.A OD1 no hydrogen 2.541 N/A HIS 131.A NE2 ASP 98.A OD1 no hydrogen 2.681 N/A ALA 133.A N ASN 57.A O no hydrogen 2.676 N/A HIS 134.A N HIS 131.A O no hydrogen 3.079 N/A THR 136.A N ALA 55.A O no hydrogen 2.705 N/A CYS 137.A N ARG 99.A O no hydrogen 2.918 N/A ASN 138.A N ALA 53.A O no hydrogen 3.211 N/A ASN 138.A ND2 ASN 128.A OD1 no hydrogen 2.709 N/A LYS 139.A N LEU 96.A O no hydrogen 2.995 N/A LYS 139.A NZ CYS 107.A O no hydrogen 2.762 N/A LYS 139.A NZ ASP 110.A O no hydrogen 2.928 N/A SER 140.A N TYR 51.A O no hydrogen 2.989 N/A SER 140.A OG GLU 95.A OE2 no hydrogen 2.866 N/A TRP 141.A N GLU 95.A OE1 no hydrogen 3.232 N/A ARG 142.A N GLY 49.A O no hydrogen 2.777 N/A ARG 142.A NE GLU 122.A OE2 no hydrogen 3.050 N/A ARG 142.A NH1 GLN 403.A OE1 no hydrogen 2.927 N/A ARG 142.A NH2 GLU 122.A OE1 no hydrogen 3.111 N/A ARG 142.A NH2 GLN 403.A O no hydrogen 2.824 N/A ARG 142.A NH2 GLN 403.A OE1 no hydrogen 3.479 N/A CYS 143.A N LYS 121.A O no hydrogen 2.798 N/A GLY 144.A N TYR 47.A O no hydrogen 3.226 N/A SER 146.A N ILE 45.A O no hydrogen 2.894 N/A SER 146.A OG SER 148.A OG no hydrogen 2.629 N/A SER 148.A N VAL 43.A O no hydrogen 2.785 N/A SER 148.A OG SER 146.A OG no hydrogen 2.629 N/A LYS 149.A N SER 395.A OG no hydrogen 2.945 N/A LYS 149.A NZ ASN 40.A OD1 no hydrogen 3.331 N/A MET 150.A N GLU 41.A O no hydrogen 2.957 N/A TYR 151.A OH ASP 389.A OD2 no hydrogen 3.035 N/A SER 152.A N TYR 39.A O no hydrogen 2.902 N/A SER 152.A OG ASP 38.A O no hydrogen 2.721 N/A SER 152.A OG TYR 39.A O no hydrogen 3.249 N/A SER 152.A OG GLU 41.A OE2 no hydrogen 3.445 N/A ARG 153.A N TYR 166.A O no hydrogen 2.754 N/A ARG 153.A NE LEU 154.A O no hydrogen 3.052 N/A ARG 153.A NH1 GLU 256.A OE1 no hydrogen 3.269 N/A ARG 153.A NH2 LEU 154.A O no hydrogen 3.075 N/A LEU 154.A N PHE 243.A O no hydrogen 2.892 N/A GLU 155.A N GLN 164.A O no hydrogen 3.096 N/A GLN 157.A N GLU 162.A O no hydrogen 3.073 N/A THR 160.A OG1 GLU 162.A OE1 no hydrogen 3.000 N/A ASP 161.A N GLN 157.A O no hydrogen 2.606 N/A GLN 164.A N GLU 155.A O no hydrogen 2.896 N/A TYR 166.A N ARG 153.A O no hydrogen 2.784 N/A LEU 168.A N TYR 151.A O no hydrogen 3.259 N/A ASP 169.A N ASN 173.A O no hydrogen 2.752 N/A GLU 171.A N ASP 169.A OD1 no hydrogen 2.875 N/A GLY 172.A N ASP 169.A O no hydrogen 3.167 N/A ASN 173.A N ASP 169.A OD1 no hydrogen 2.979 N/A ILE 175.A N ILE 167.A O no hydrogen 2.757 N/A VAL 177.A N ILE 175.A O no hydrogen 2.805 N/A THR 178.A OG1 THR 181.A O no hydrogen 3.314 N/A THR 181.A N THR 178.A OG1 no hydrogen 3.280 N/A LEU 183.A N MET 190.A O no hydrogen 2.749 N/A HIS 184.A ND1 SER 189.A OG no hydrogen 3.310 N/A ARG 185.A N VAL 188.A O no hydrogen 2.956 N/A ARG 185.A NE ASP 186.A OD2 no hydrogen 2.699 N/A VAL 188.A N ARG 185.A O no hydrogen 3.014 N/A SER 189.A N GLY 46.A O no hydrogen 2.889 N/A SER 189.A OG HIS 184.A ND1 no hydrogen 3.310 N/A MET 190.A N LEU 183.A O no hydrogen 2.800 N/A ILE 191.A N ILE 44.A O no hydrogen 3.192 N/A LEU 192.A N THR 178.A O no hydrogen 3.094 N/A LYS 193.A N ASN 42.A O no hydrogen 3.470 N/A LYS 193.A NZ SER 85.A OG no hydrogen 3.325 N/A THR 199.A N GLU 36.A O no hydrogen 2.942 N/A THR 199.A OG1 THR 200.A O no hydrogen 3.562 N/A ARG 201.A N ILE 34.A O no hydrogen 2.803 N/A ARG 201.A NH1 ASP 228.A OD2 no hydrogen 2.920 N/A ARG 201.A NH2 ASP 228.A OD1 no hydrogen 3.057 N/A ARG 201.A NH2 ASP 228.A OD2 no hydrogen 3.166 N/A ILE 203.A N ILE 32.A O no hydrogen 2.898 N/A ALA 205.A N VAL 30.A O no hydrogen 2.781 N/A CYS 207.A N GLN 27.A O no hydrogen 2.882 N/A CYS 207.A SG ALA 205.A O no hydrogen 4.002 N/A LEU 208.A N HIS 224.A O no hydrogen 2.695 N/A LEU 209.A N THR 25.A O no hydrogen 2.705 N/A ILE 210.A N ARG 222.A O no hydrogen 2.984 N/A LYS 211.A N LYS 23.A O no hydrogen 3.212 N/A ASN 215.A N ASP 213.A OD1 no hydrogen 3.377 N/A ASN 216.A ND2 ASP 213.A OD2 no hydrogen 2.657 N/A SER 219.A N ASN 216.A O no hydrogen 3.005 N/A THR 221.A N ILE 210.A O no hydrogen 2.848 N/A THR 221.A OG1 ILE 210.A O no hydrogen 3.506 N/A THR 221.A OG1 ASP 212.A OD1 no hydrogen 2.538 N/A ARG 222.A NH2 ASP 212.A OD2 no hydrogen 3.454 N/A HIS 224.A N LEU 208.A O no hydrogen 2.946 N/A CYS 225.A N TYR 232.A O no hydrogen 2.724 N/A LEU 226.A N ALA 206.A O no hydrogen 3.059 N/A ILE 227.A N ASP 230.A O no hydrogen 2.883 N/A ASN 229.A ND2 THR 381.A O no hydrogen 3.107 N/A TYR 232.A N CYS 225.A O no hydrogen 2.879 N/A TYR 232.A OH ASP 230.A OD2 no hydrogen 2.832 N/A LEU 234.A N GLU 223.A O no hydrogen 2.860 N/A SER 235.A OG ASP 233.A OD1 no hydrogen 2.591 N/A SER 235.A OG ASP 233.A OD2 no hydrogen 2.894 N/A THR 238.A OG1 TRP 239.A O no hydrogen 3.183 N/A TRP 239.A N ASP 158.A OD2 no hydrogen 2.700 N/A TRP 239.A NE1 ASP 161.A OD1 no hydrogen 2.830 N/A ASN 240.A N ILE 247.A O no hydrogen 2.747 N/A ASN 240.A ND2 ASP 233.A O no hydrogen 3.302 N/A LYS 242.A N ARG 245.A O no hydrogen 3.142 N/A LYS 242.A NZ CYS 241.A O no hydrogen 3.085 N/A PHE 243.A N GLU 256.A OE2 no hydrogen 2.765 N/A ASN 244.A ND2 THR 37.A O no hydrogen 2.883 N/A ARG 245.A N LYS 242.A O no hydrogen 3.022 N/A CYS 246.A N VAL 35.A O no hydrogen 2.703 N/A ILE 247.A N ASN 240.A O no hydrogen 2.756 N/A LYS 248.A N THR 33.A O no hydrogen 3.088 N/A ARG 249.A NE LEU 234.A O no hydrogen 2.804 N/A ARG 249.A NH2 LEU 234.A O no hydrogen 2.579 N/A LYS 250.A N GLU 31.A O no hydrogen 3.032 N/A LYS 253.A NZ GLU 171.A O no hydrogen 3.356 N/A TYR 254.A N GLY 172.A O no hydrogen 2.964 N/A TYR 254.A OH GLU 155.A OE1 no hydrogen 2.641 N/A THR 255.A OG1 ASP 258.A OD2 no hydrogen 3.133 N/A GLU 256.A N GLU 256.A OE1 no hydrogen 2.932 N/A ASP 258.A N THR 255.A O no hydrogen 3.093 N/A ASP 264.A N THR 261.A O no hydrogen 3.036 N/A LEU 265.A N THR 261.A O no hydrogen 3.173 N/A MET 266.A N LYS 262.A O no hydrogen 2.987 N/A HIS 267.A N GLY 263.A O no hydrogen 3.240 N/A ILE 268.A N ASP 264.A O no hydrogen 3.115 N/A GLN 269.A N LEU 265.A O no hydrogen 2.785 N/A GLU 270.A N MET 266.A O no hydrogen 2.916 N/A GLU 271.A N HIS 267.A O no hydrogen 2.831 N/A LEU 272.A N ILE 268.A O no hydrogen 3.001 N/A MET 273.A N GLN 269.A O no hydrogen 2.948 N/A TYR 274.A N GLU 270.A O no hydrogen 2.749 N/A GLU 275.A N GLU 271.A O no hydrogen 2.931 N/A ASN 276.A N LEU 272.A O no hydrogen 2.905 N/A ASP 277.A N MET 273.A O no hydrogen 3.054 N/A LEU 278.A N TYR 274.A O no hydrogen 2.680 N/A LEU 279.A N GLU 275.A O no hydrogen 2.745 N/A LYS 280.A N ASN 276.A O no hydrogen 3.012 N/A MET 281.A N ASP 277.A O no hydrogen 3.109 N/A ASN 282.A N LEU 278.A O no hydrogen 3.223 N/A ASN 282.A ND2 LEU 278.A O no hydrogen 3.119 N/A ILE 283.A N LEU 279.A O no hydrogen 2.963 N/A GLU 284.A N LYS 280.A O no hydrogen 2.980 N/A LEU 285.A N MET 281.A O no hydrogen 2.755 N/A MET 286.A N ASN 282.A O no hydrogen 2.956 N/A HIS 287.A N ILE 283.A O no hydrogen 2.831 N/A HIS 287.A ND1 GLU 284.A OE1 no hydrogen 2.866 N/A ALA 288.A N GLU 284.A O no hydrogen 2.936 N/A HIS 289.A N LEU 285.A O no hydrogen 3.394 N/A ILE 290.A N MET 286.A O no hydrogen 3.037 N/A ASN 291.A N HIS 287.A O no hydrogen 3.045 N/A ASN 291.A ND2 HIS 287.A NE2 no hydrogen 3.674 N/A LYS 292.A N ALA 288.A O no hydrogen 3.026 N/A LEU 293.A N HIS 289.A O no hydrogen 3.012 N/A ASN 294.A N ILE 290.A O no hydrogen 2.622 N/A ASN 295.A N ASN 291.A O no hydrogen 2.977 N/A MET 296.A N LYS 292.A O no hydrogen 3.114 N/A LEU 297.A N LEU 293.A O no hydrogen 3.061 N/A HIS 298.A N ASN 294.A O no hydrogen 3.202 N/A HIS 298.A N ASN 295.A O no hydrogen 3.169 N/A ASP 299.A N ASN 295.A O no hydrogen 3.239 N/A LEU 300.A N MET 296.A O no hydrogen 2.985 N/A ILE 301.A N LEU 297.A O no hydrogen 3.020 N/A VAL 302.A N HIS 298.A O no hydrogen 3.016 N/A SER 303.A N ASP 299.A O no hydrogen 3.406 N/A VAL 304.A N LEU 300.A O no hydrogen 3.071 N/A ALA 305.A N ILE 301.A O no hydrogen 2.797 N/A LYS 306.A N SER 303.A O no hydrogen 3.395 N/A ASP 308.A N VAL 304.A O no hydrogen 2.991 N/A ARG 310.A N ASP 308.A OD1 no hydrogen 2.966 N/A ASN 314.A N ARG 310.A O no hydrogen 3.144 N/A LEU 315.A N LEU 311.A O no hydrogen 2.950 N/A MET 316.A N ILE 312.A O no hydrogen 3.025 N/A ASN 317.A N ASN 314.A O no hydrogen 2.935 N/A ASN 318.A N GLY 313.A O no hydrogen 2.861 N/A SER 321.A N MET 333.A O no hydrogen 2.995 N/A SER 322.A N GLU 309.A O no hydrogen 2.782 N/A SER 322.A OG GLU 309.A O no hydrogen 3.078 N/A THR 323.A N LEU 331.A O no hydrogen 2.996 N/A LEU 325.A N THR 329.A O no hydrogen 3.027 N/A SER 326.A OG THR 329.A OG1 no hydrogen 2.895 N/A ASP 328.A N SER 326.A OG no hydrogen 3.185 N/A THR 329.A N SER 326.A OG no hydrogen 3.097 N/A THR 329.A OG1 SER 326.A OG no hydrogen 2.895 N/A LEU 331.A N THR 323.A O no hydrogen 2.776 N/A MET 333.A N SER 321.A O no hydrogen 3.135 N/A CYS 335.A N SER 319.A O no hydrogen 2.791 N/A CYS 335.A SG PRO 334.A O no hydrogen 3.303 N/A THR 336.A OG1 CYS 335.A O no hydrogen 2.646 N/A THR 342.A OG1 ALA 340.A O no hydrogen 2.743 N/A SER 343.A OG CYS 345.A O no hydrogen 3.565 N/A ASN 348.A ND2 TRP 356.A O no hydrogen 2.915 N/A LYS 352.A NZ ASN 344.A O no hydrogen 3.345 N/A LYS 352.A NZ ASN 348.A OD1 no hydrogen 3.407 N/A LYS 352.A NZ TRP 356.A O no hydrogen 2.776 N/A ILE 361.A N ASN 344.A OD1 no hydrogen 3.008 N/A PHE 363.A N THR 342.A O no hydrogen 2.681 N/A SER 364.A OG ASP 362.A OD2 no hydrogen 3.104 N/A ASN 384.A N ASN 229.A O no hydrogen 3.060 N/A ASN 384.A ND2 ASP 228.A O no hydrogen 3.387 N/A TRP 391.A N GLY 257.A O no hydrogen 2.979 N/A ASP 393.A N SER 390.A O no hydrogen 3.235 N/A SER 395.A OG LYS 149.A O no hydrogen 3.458 N/A GLY 396.A N LYS 149.A O no hydrogen 3.017 N/A TRP 397.A N ALA 394.A O no hydrogen 2.873 N/A TRP 397.A NE1 LEU 168.A O no hydrogen 3.232 N/A SER 398.A N ALA 394.A O no hydrogen 3.344 N/A SER 398.A OG SER 395.A O no hydrogen 3.048 N/A PHE 399.A N SER 395.A O no hydrogen 3.128 N/A ILE 400.A N GLY 396.A O no hydrogen 3.250 N/A ALA 401.A N TRP 397.A O no hydrogen 2.874 N/A GLN 402.A N SER 398.A O no hydrogen 2.757 N/A GLN 402.A NE2 GLN 402.A O no hydrogen 3.295 N/A GLN 402.A NE2 ASN 406.A OD1 no hydrogen 2.809 N/A GLN 403.A N PHE 399.A O no hydrogen 3.183 N/A GLN 403.A NE2 ILE 400.A O no hydrogen 3.055 N/A LYS 404.A N ILE 400.A O no hydrogen 3.276 N/A SER 405.A N ALA 401.A O no hydrogen 3.011 N/A ASN 406.A N GLN 402.A O no hydrogen 2.781 N/A LEU 407.A N GLN 403.A O no hydrogen 2.992 N/A ILE 408.A N LYS 404.A O no hydrogen 3.165 N/A THR 409.A N SER 405.A O no hydrogen 3.121 N/A THR 410.A N ASN 406.A O no hydrogen 3.191 N/A THR 410.A OG1 LEU 123.A O no hydrogen 2.703 N/A MET 411.A N LEU 407.A O no hydrogen 3.060 N/A GLU 412.A N THR 409.A O no hydrogen 3.352 N/A ASN 413.A N THR 410.A O no hydrogen 3.442 N/A ASN 413.A ND2 THR 409.A O no hydrogen 2.730 N/A LYS 415.A N LYS 125.A O no hydrogen 2.748 N/A