Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8jwu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 3.A N GLN 8.A O no hydrogen 2.822 N/A LEU 4.A N CYS 26.A O no hydrogen 2.915 N/A CYS 6.A SG HIS 28.A ND1 no hydrogen 3.468 N/A LEU 7.A N CYS 3.A O no hydrogen 2.954 N/A LYS 15.A N ASP 12.A O no hydrogen 3.111 N/A LEU 16.A N ASP 12.A O no hydrogen 2.969 N/A GLY 17.A N PRO 13.A O no hydrogen 2.815 N/A GLU 18.A N GLU 18.A OE1 no hydrogen 2.805 N/A LEU 20.A N VAL 27.A O no hydrogen 3.292 N/A LEU 25.A N LYS 22.A O no hydrogen 2.873 N/A CYS 26.A SG VAL 2.A O no hydrogen 3.080 N/A CYS 26.A SG CYS 26.A O no hydrogen 3.024 N/A VAL 27.A N LEU 20.A O no hydrogen 3.365 N/A TYR 29.A N GLU 18.A O no hydrogen 3.329 N/A PHE 30.A N LEU 16.A O no hydrogen 3.383 N/A CYS 31.A SG HIS 28.A ND1 no hydrogen 3.945 N/A LEU 32.A N HIS 28.A O no hydrogen 2.943 N/A ILE 33.A N TYR 29.A O no hydrogen 2.903 N/A LEU 34.A N PHE 30.A O no hydrogen 2.878 N/A SER 36.A OG GLN 79.A OE1 no hydrogen 2.731 N/A GLY 42.A N GLY 48.A O no hydrogen 3.066 N/A LEU 46.A N PHE 49.A O no hydrogen 2.850 N/A PHE 49.A N LEU 46.A O no hydrogen 2.878 N/A ILE 54.A N MET 50.A O no hydrogen 3.226 N/A LYS 55.A N PRO 51.A O no hydrogen 2.907 N/A ARG 56.A N GLU 52.A O no hydrogen 2.918 N/A GLU 57.A N ASP 53.A O no hydrogen 2.872 N/A ALA 58.A N ILE 54.A O no hydrogen 2.908 N/A VAL 59.A N LYS 55.A O no hydrogen 2.929 N/A ARG 60.A N ARG 56.A O no hydrogen 2.918 N/A ALA 61.A N GLU 57.A O no hydrogen 2.819 N/A SER 62.A N ALA 58.A O no hydrogen 2.966 N/A SER 62.A OG VAL 59.A O no hydrogen 2.649 N/A LYS 63.A N ARG 60.A O no hydrogen 3.226 N/A LYS 64.A N ALA 61.A O no hydrogen 2.977 N/A CYS 66.A N LYS 71.A O no hydrogen 2.968 N/A CYS 66.A SG HIS 88.A ND1 no hydrogen 3.221 N/A CYS 69.A SG HIS 88.A ND1 no hydrogen 3.273 N/A LYS 70.A N CYS 66.A O no hydrogen 3.238 N/A GLY 73.A N LYS 64.A O no hydrogen 3.220 N/A ARG 77.A N SER 36.A OG no hydrogen 3.362 N/A CYS 78.A N GLN 85.A O no hydrogen 3.260 N/A GLN 79.A N SER 107.A O no hydrogen 3.023 N/A CYS 83.A SG HIS 112.A ND1 no hydrogen 3.422 N/A PHE 87.A N ILE 76.A O no hydrogen 2.887 N/A CYS 91.A SG HIS 88.A ND1 no hydrogen 3.930 N/A GLY 92.A N HIS 88.A O no hydrogen 2.716 N/A GLN 93.A N LEU 89.A O no hydrogen 2.903 N/A GLN 93.A NE2 LYS 15.A O no hydrogen 2.582 N/A GLU 94.A N PRO 90.A O no hydrogen 2.914 N/A ARG 95.A N CYS 91.A O no hydrogen 2.882 N/A GLY 96.A N GLY 92.A O no hydrogen 3.051 N/A CYS 97.A N GLY 92.A O no hydrogen 2.562 N/A LEU 98.A N TYR 108.A O no hydrogen 2.923 N/A SER 99.A OG SER 107.A OG no hydrogen 2.709 N/A GLN 100.A N LYS 106.A O no hydrogen 2.905 N/A GLU 104.A N GLU 104.A OE1 no hydrogen 2.772 N/A TYR 105.A N PHE 102.A O no hydrogen 3.287 N/A SER 107.A OG SER 99.A OG no hydrogen 2.709 N/A TYR 108.A N LEU 98.A O no hydrogen 2.641 N/A CYS 109.A SG HIS 112.A ND1 no hydrogen 3.132 N/A THR 115.A OG1 ARG 113.A O no hydrogen 3.021 N/A GLN 116.A NE2 GLN 137.A O no hydrogen 3.521 N/A GLN 116.A NE2 GLU 177.A OE2 no hydrogen 3.020 N/A CYS 121.A N GLU 126.A O no hydrogen 3.054 N/A CYS 124.A SG CYS 121.A O no hydrogen 3.849 N/A CYS 124.A SG HIS 147.A ND1 no hydrogen 3.124 N/A CYS 125.A N CYS 121.A O no hydrogen 2.861 N/A CYS 125.A SG VAL 122.A O no hydrogen 3.610 N/A LEU 128.A N GLU 119.A O no hydrogen 3.278 N/A SER 129.A OG GLU 134.A OE2 no hydrogen 2.767 N/A THR 131.A N SER 129.A OG no hydrogen 3.310 N/A ASN 135.A ND2 TYR 146.A O no hydrogen 3.530 N/A ILE 136.A N TYR 146.A O no hydrogen 2.894 N/A GLN 137.A N GLN 116.A OE1 no hydrogen 2.951 N/A GLN 137.A NE2 GLN 143.A O no hydrogen 2.715 N/A SER 138.A N ALA 144.A O no hydrogen 3.154 N/A SER 138.A OG CYS 140.A O no hydrogen 3.160 N/A SER 138.A OG CYS 141.A O no hydrogen 3.528 N/A CYS 140.A SG SER 138.A OG no hydrogen 2.941 N/A CYS 140.A SG CYS 141.A O no hydrogen 3.913 N/A CYS 141.A SG GLN 167.A OE1 no hydrogen 3.655 N/A SER 142.A OG CYS 141.A O no hydrogen 2.533 N/A GLN 143.A N CYS 140.A O no hydrogen 2.974 N/A GLN 143.A NE2 PRO 139.A O no hydrogen 2.870 N/A ALA 144.A N SER 142.A OG no hydrogen 2.810 N/A TYR 146.A N ILE 136.A O no hydrogen 2.933 N/A ARG 148.A N GLU 134.A O no hydrogen 2.653 N/A ARG 148.A NE VAL 133.A O no hydrogen 3.125 N/A ARG 148.A NH1 MET 181.A O no hydrogen 2.712 N/A ARG 148.A NH2 VAL 133.A O no hydrogen 2.697 N/A CYS 150.A SG HIS 147.A ND1 no hydrogen 3.910 N/A ILE 151.A N HIS 147.A O no hydrogen 3.031 N/A GLN 152.A N ARG 148.A O no hydrogen 2.943 N/A GLN 152.A NE2 GLN 152.A O no hydrogen 3.282 N/A GLN 152.A NE2 HIS 184.A O no hydrogen 2.770 N/A LYS 153.A N LYS 149.A O no hydrogen 2.868 N/A TYR 154.A N CYS 150.A O no hydrogen 2.920 N/A TYR 154.A OH LYS 164.A O no hydrogen 2.757 N/A ALA 155.A N ILE 151.A O no hydrogen 2.850 N/A HIS 156.A N GLN 152.A O no hydrogen 2.748 N/A HIS 156.A ND1 GLN 152.A O no hydrogen 3.244 N/A THR 157.A N LYS 153.A O no hydrogen 2.907 N/A THR 157.A OG1 LYS 153.A O no hydrogen 2.980 N/A SER 158.A N TYR 154.A O no hydrogen 2.881 N/A SER 158.A OG TYR 154.A O no hydrogen 2.264 N/A LYS 160.A N PRO 186.A O no hydrogen 3.135 N/A PHE 162.A N ALA 159.A O no hydrogen 2.959 N/A PHE 163.A N LYS 160.A O no hydrogen 3.443 N/A LYS 164.A N TYR 154.A OH no hydrogen 2.934 N/A CYS 165.A N ASN 170.A O no hydrogen 3.017 N/A ASN 169.A N CYS 165.A O no hydrogen 3.035 N/A ASN 170.A ND2 GLU 173.A OE1 no hydrogen 3.155 N/A ARG 171.A NH1 HIS 161.A O no hydrogen 2.403 N/A GLU 172.A N ASN 170.A OD1 no hydrogen 3.010 N/A GLU 173.A N ASN 170.A OD1 no hydrogen 3.374 N/A GLU 173.A N GLU 173.A OE1 no hydrogen 2.784 N/A GLU 177.A N GLU 173.A O no hydrogen 2.901 N/A MET 178.A N PHE 174.A O no hydrogen 2.956 N/A LEU 179.A N PRO 175.A O no hydrogen 2.880 N/A ARG 180.A N GLN 176.A O no hydrogen 2.906 N/A ARG 180.A NE GLU 177.A OE1 no hydrogen 3.310 N/A ARG 180.A NH2 GLU 177.A OE1 no hydrogen 3.413 N/A ARG 180.A NH2 GLU 177.A OE2 no hydrogen 2.359 N/A MET 181.A N GLU 177.A O no hydrogen 3.078 N/A GLY 182.A N LEU 179.A O no hydrogen 3.122 N/A ILE 183.A N MET 178.A O no hydrogen 3.092 N/A HIS 184.A N GLN 152.A OE1 no hydrogen 3.053 N/A ARG 188.A NH2 GLU 18.A OE2 no hydrogen 3.350 N/A ALA 190.A N ASP 189.A OD1 no hydrogen 2.530 N/A ALA 191.A N THR 157.A O no hydrogen 3.038 N/A LEU 194.A N ALA 190.A O no hydrogen 2.974 N/A GLU 195.A N ALA 191.A O no hydrogen 3.114 N/A ALA 198.A N GLU 195.A O no hydrogen 2.866 N/A GLU 201.A N GLU 201.A OE1 no hydrogen 2.807 N/A LEU 202.A N PHE 199.A O no hydrogen 3.031 N/A TYR 203.A N SER 200.A O no hydrogen 3.212 N/A TYR 206.A OH ASP 210.A OD1 no hydrogen 2.321 N/A TYR 206.A OH ASP 210.A OD2 no hydrogen 2.861 N/A CYS 209.A SG HIS 238.A ND1 no hydrogen 3.971 N/A CYS 214.A SG HIS 238.A ND1 no hydrogen 3.182 N/A GLU 221.A N TRP 226.A O no hydrogen 3.008 N/A ARG 227.A N GLY 224.A O no hydrogen 3.063 N/A CYS 231.A N HIS 237.A O no hydrogen 3.038 N/A ALA 232.A N TRP 249.A O no hydrogen 2.760 N/A CYS 234.A SG SER 236.A OG no hydrogen 2.924 N/A HIS 237.A ND1 ASP 210.A OD2 no hydrogen 2.926 N/A ARG 239.A N ARG 227.A O no hydrogen 2.842 N/A ASP 240.A N ARG 225.A O no hydrogen 2.318 N/A CYS 241.A SG HIS 238.A ND1 no hydrogen 3.484 N/A SER 242.A N HIS 238.A O no hydrogen 2.826 N/A SER 242.A OG ARG 239.A O no hydrogen 2.265 N/A SER 243.A N ARG 239.A O no hydrogen 3.109 N/A SER 243.A OG SER 242.A O no hydrogen 2.592 N/A CYS 254.A SG GLU 253.A OE1 no hydrogen 3.507 N/A LEU 255.A N ASN 252.A O no hydrogen 3.118 N/A ALA 259.A N ALA 256.A O no hydrogen 3.023 N/A LEU 260.A N ALA 256.A O no hydrogen 3.068 N/A LYS 261.A N SER 257.A O no hydrogen 2.943 N/A ARG 262.A N MET 258.A O no hydrogen 3.028 N/A ARG 262.A NH2 LEU 354.A O no hydrogen 2.979 N/A ILE 263.A N ALA 259.A O no hydrogen 2.851 N/A HIS 264.A N LEU 260.A O no hydrogen 2.898 N/A HIS 264.A ND1 LEU 260.A O no hydrogen 2.846 N/A LYS 265.A N LYS 261.A O no hydrogen 3.027 N/A GLU 266.A N ARG 262.A O no hydrogen 2.872 N/A LEU 267.A N ILE 263.A O no hydrogen 2.873 N/A ASN 268.A N HIS 264.A O no hydrogen 2.993 N/A ASP 269.A N LYS 265.A O no hydrogen 2.925 N/A LEU 270.A N GLU 266.A O no hydrogen 2.885 N/A ALA 271.A N LEU 267.A O no hydrogen 2.925 N/A ARG 272.A N ASN 268.A O no hydrogen 2.961 N/A ARG 272.A N ASP 269.A O no hydrogen 3.225 N/A ASP 273.A N ASP 269.A O no hydrogen 2.902 N/A CYS 278.A SG ALA 276.A O no hydrogen 3.312 N/A GLY 281.A N GLN 291.A O no hydrogen 2.901 N/A VAL 283.A N HIS 289.A O no hydrogen 2.734 N/A ASP 286.A N VAL 283.A O no hydrogen 3.014 N/A PHE 288.A N ASP 286.A OD1 no hydrogen 3.015 N/A HIS 289.A N ASP 286.A O no hydrogen 3.439 N/A HIS 289.A NE2 THR 310.A OG1 no hydrogen 2.866 N/A TRP 290.A N ILE 311.A O no hydrogen 2.796 N/A TRP 290.A NE1 MET 287.A O no hydrogen 2.899 N/A GLN 291.A N GLY 281.A O no hydrogen 2.765 N/A ALA 292.A N LEU 309.A O no hydrogen 2.906 N/A THR 293.A N ARG 279.A O no hydrogen 3.076 N/A ILE 294.A N PHE 307.A O no hydrogen 2.870 N/A GLY 296.A N GLY 305.A O no hydrogen 2.485 N/A ASP 299.A N GLN 303.A OE1 no hydrogen 3.081 N/A SER 300.A OG PRO 297.A O no hydrogen 2.942 N/A TYR 302.A N SER 300.A OG no hydrogen 3.096 N/A TYR 302.A OH TYR 331.A O no hydrogen 2.282 N/A TYR 302.A OH TYR 391.A OH no hydrogen 2.763 N/A GLN 303.A N SER 300.A O no hydrogen 3.113 N/A GLY 305.A N TYR 302.A O no hydrogen 3.022 N/A PHE 307.A N ILE 294.A O no hydrogen 2.893 N/A PHE 308.A N THR 328.A OG1 no hydrogen 3.301 N/A LEU 309.A N ALA 292.A O no hydrogen 2.880 N/A THR 310.A N ALA 325.A O no hydrogen 2.871 N/A THR 310.A OG1 HIS 289.A NE2 no hydrogen 2.866 N/A ILE 311.A N TRP 290.A O no hydrogen 2.933 N/A HIS 312.A N LYS 323.A O no hydrogen 2.794 N/A PHE 313.A N PHE 288.A O no hydrogen 2.681 N/A TYR 317.A N PRO 314.A O no hydrogen 3.173 N/A TYR 317.A OH GLU 266.A OE1 no hydrogen 2.481 N/A TYR 317.A OH GLU 266.A OE2 no hydrogen 2.675 N/A PHE 319.A N ASP 316.A O no hydrogen 2.626 N/A LYS 323.A N HIS 312.A O no hydrogen 2.903 N/A LYS 323.A NZ GLU 201.A OE2 no hydrogen 3.171 N/A ALA 325.A N THR 310.A O no hydrogen 2.953 N/A PHE 326.A N GLY 339.A O no hydrogen 2.675 N/A THR 327.A N PHE 308.A O no hydrogen 2.699 N/A THR 327.A OG1 PHE 308.A O no hydrogen 2.708 N/A THR 328.A N PHE 308.A O no hydrogen 3.388 N/A TYR 331.A OH THR 233.A O no hydrogen 2.931 N/A HIS 332.A NE2 LEU 366.A O no hydrogen 2.841 N/A ASN 334.A N HIS 332.A ND1 no hydrogen 2.994 N/A ASN 334.A ND2 ASN 371.A O no hydrogen 3.343 N/A ILE 335.A N HIS 332.A O no hydrogen 3.366 N/A ASN 336.A N SER 340.A O no hydrogen 3.329 N/A ASN 336.A ND2 GLU 201.A O no hydrogen 3.660 N/A GLY 339.A N ASN 336.A O no hydrogen 2.884 N/A SER 340.A N ASN 336.A OD1 no hydrogen 2.995 N/A LYS 342.A N ASN 334.A O no hydrogen 2.818 N/A LEU 346.A N LEU 343.A O no hydrogen 3.047 N/A ARG 347.A N ASP 344.A O no hydrogen 3.056 N/A ARG 347.A NE GLU 193.A OE1 no hydrogen 3.367 N/A ARG 347.A NE GLU 193.A OE2 no hydrogen 3.389 N/A ARG 347.A NH1 TYR 203.A OH no hydrogen 3.168 N/A ARG 347.A NH2 GLU 193.A OE1 no hydrogen 3.460 N/A ARG 347.A NH2 TYR 203.A OH no hydrogen 2.988 N/A SER 348.A N ASP 344.A O no hydrogen 2.542 N/A SER 348.A OG ASP 344.A O no hydrogen 3.012 N/A TRP 350.A NE1 PRO 318.A O no hydrogen 2.549 N/A LEU 354.A N SER 351.A O no hydrogen 2.831 N/A ILE 356.A N GLU 266.A OE1 no hydrogen 3.327 N/A VAL 359.A N THR 355.A O no hydrogen 3.015 N/A LEU 360.A N ILE 356.A O no hydrogen 2.888 N/A LEU 361.A N SER 357.A O no hydrogen 2.946 N/A SER 362.A N LYS 358.A O no hydrogen 2.890 N/A SER 362.A OG LYS 358.A O no hydrogen 3.101 N/A ILE 363.A N VAL 359.A O no hydrogen 2.872 N/A CYS 364.A N LEU 360.A O no hydrogen 2.936 N/A CYS 364.A SG LEU 360.A O no hydrogen 3.402 N/A SER 365.A N LEU 361.A O no hydrogen 2.951 N/A SER 365.A OG LEU 361.A O no hydrogen 3.195 N/A LEU 366.A N SER 362.A O no hydrogen 2.854 N/A LEU 367.A N ILE 363.A O no hydrogen 2.883 N/A CYS 368.A N CYS 364.A O no hydrogen 3.042 N/A CYS 368.A N SER 365.A O no hydrogen 2.980 N/A CYS 368.A SG CYS 364.A O no hydrogen 3.474 N/A ASP 369.A N SER 365.A O no hydrogen 2.602 N/A ASN 371.A N ASN 334.A OD1 no hydrogen 3.110 N/A ASP 374.A N ASN 371.A O no hydrogen 3.351 N/A LEU 376.A N PRO 333.A O no hydrogen 3.109 N/A VAL 377.A N PRO 333.A O no hydrogen 3.044 N/A GLU 379.A N GLU 379.A OE1 no hydrogen 2.655 N/A ALA 381.A N VAL 377.A O no hydrogen 3.131 N/A ARG 382.A N PRO 378.A O no hydrogen 2.906 N/A ILE 383.A N GLU 379.A O no hydrogen 3.014 N/A TYR 384.A N ILE 380.A O no hydrogen 2.834 N/A LYS 385.A N ALA 381.A O no hydrogen 2.907 N/A THR 386.A N ARG 382.A O no hydrogen 2.951 N/A THR 386.A OG1 ARG 382.A O no hydrogen 2.524 N/A ASP 387.A N ILE 383.A O no hydrogen 2.792 N/A LYS 390.A N ASP 387.A OD1 no hydrogen 3.521 N/A TYR 391.A N ASP 387.A O no hydrogen 3.076 N/A ASN 392.A N ARG 388.A O no hydrogen 2.882 N/A ARG 393.A N GLU 389.A O no hydrogen 2.898 N/A ILE 394.A N LYS 390.A O no hydrogen 2.939 N/A ALA 395.A N TYR 391.A O no hydrogen 2.898 N/A ARG 396.A N ASN 392.A O no hydrogen 2.906 N/A ARG 396.A NE ASN 392.A OD1 no hydrogen 2.707 N/A GLU 397.A N ARG 393.A O no hydrogen 2.873 N/A TRP 398.A N ILE 394.A O no hydrogen 2.869 N/A THR 399.A N ALA 395.A O no hydrogen 2.903 N/A THR 399.A OG1 PRO 301.A O no hydrogen 3.290 N/A THR 399.A OG1 ALA 395.A O no hydrogen 2.876 N/A GLN 400.A N ARG 396.A O no hydrogen 2.934 N/A LYS 401.A N GLU 397.A O no hydrogen 2.797 N/A TYR 402.A N TRP 398.A O no hydrogen 2.499 N/A