Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8a9u_0.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N GLY 189.A O no hydrogen 3.439 N/A SER 8.A OG GLY 189.A O no hydrogen 2.775 N/A HIS 12.A N THR 27.A OG1 no hydrogen 3.413 N/A CYS 13.A SG THR 27.A O no hydrogen 3.564 N/A SER 15.A OG ASP 78.A OD1 no hydrogen 2.780 N/A GLN 16.A N ILE 23.A O no hydrogen 2.901 N/A LEU 18.A N ARG 21.A O no hydrogen 2.888 N/A VAL 22.A N TRP 468.A O no hydrogen 2.916 N/A ILE 23.A N GLN 16.A O no hydrogen 2.913 N/A THR 24.A N ILE 466.A O no hydrogen 2.928 N/A THR 25.A N ASP 14.A O no hydrogen 3.292 N/A THR 25.A OG1 VAL 464.A O no hydrogen 3.061 N/A SER 26.A N VAL 464.A O no hydrogen 2.901 N/A SER 26.A OG CYS 72.A O no hydrogen 3.565 N/A THR 27.A OG1 SER 463.A OG no hydrogen 2.945 N/A ARG 28.A N VAL 462.A O no hydrogen 2.897 N/A ARG 28.A NE THR 27.A O no hydrogen 3.126 N/A TRP 30.A N GLY 460.A O no hydrogen 2.906 N/A ALA 31.A N PHE 153.A O no hydrogen 2.933 N/A LEU 32.A N SER 458.A O no hydrogen 2.880 N/A TYR 35.A OH VAL 155.A O no hydrogen 2.712 N/A ASN 36.A ND2 LEU 39.A O no hydrogen 3.230 N/A ASN 36.A ND2 SER 59.A OG no hydrogen 3.388 N/A HIS 38.A N TYR 35.A O no hydrogen 3.181 N/A TYR 40.A OH GLU 179.A OE1 no hydrogen 2.484 N/A LYS 41.A N SER 59.A O no hydrogen 2.926 N/A ILE 43.A N GLY 57.A O no hydrogen 2.893 N/A SER 45.A OG ASN 53.A O no hydrogen 2.747 N/A SER 45.A OG HIS 54.A ND1 no hydrogen 3.357 N/A SER 47.A N GLN 46.A OE1 no hydrogen 3.388 N/A ASN 51.A ND2 GLY 296.A O no hydrogen 3.476 N/A GLY 57.A N ILE 43.A O no hydrogen 2.922 N/A TYR 58.A N TYR 160.A O no hydrogen 2.910 N/A SER 59.A N LYS 41.A O no hydrogen 2.889 N/A SER 59.A OG LYS 41.A O no hydrogen 3.197 N/A THR 60.A N TYR 158.A O no hydrogen 3.222 N/A THR 60.A OG1 TYR 158.A O no hydrogen 3.378 N/A TRP 62.A N THR 60.A OG1 no hydrogen 3.172 N/A TRP 62.A NE1 GLU 179.A OE1 no hydrogen 3.270 N/A GLY 63.A N ILE 432.A O no hydrogen 2.894 N/A TYR 64.A N PRO 156.A O no hydrogen 3.232 N/A PHE 65.A N ILE 430.A O no hydrogen 3.060 N/A ASN 68.A ND2 TRP 402.A O no hydrogen 3.043 N/A ARG 69.A NE GLN 398.A O no hydrogen 2.718 N/A ARG 69.A NH2 GLN 398.A O no hydrogen 3.155 N/A PHE 70.A N GLY 399.A O no hydrogen 3.322 N/A CYS 72.A N ARG 69.A O no hydrogen 3.116 N/A CYS 72.A SG LEU 145.A O no hydrogen 2.675 N/A HIS 73.A N PHE 70.A O no hydrogen 2.857 N/A HIS 73.A NE2 PHE 67.A O no hydrogen 2.592 N/A PHE 74.A N PHE 70.A O no hydrogen 2.647 N/A SER 75.A OG ASP 78.A OD2 no hydrogen 2.940 N/A ASP 78.A N SER 75.A OG no hydrogen 3.226 N/A TRP 79.A N SER 75.A O no hydrogen 2.604 N/A GLN 80.A N PRO 76.A O no hydrogen 2.916 N/A GLN 80.A NE2 TYR 484.A O no hydrogen 3.130 N/A ARG 81.A N ARG 77.A O no hydrogen 2.901 N/A ARG 81.A NH2 ASP 78.A OD2 no hydrogen 3.487 N/A LEU 82.A N ASP 78.A O no hydrogen 2.871 N/A ILE 83.A N TRP 79.A O no hydrogen 2.943 N/A ASN 84.A N GLN 80.A O no hydrogen 3.118 N/A ASN 84.A ND2 TYR 484.A O no hydrogen 3.270 N/A ASN 86.A ND2 LEU 82.A O no hydrogen 3.121 N/A TRP 87.A N GLN 471.A O no hydrogen 2.895 N/A ARG 90.A N GLU 469.A O no hydrogen 3.134 N/A ARG 90.A NE GLU 469.A OE1 no hydrogen 3.060 N/A ARG 90.A NH1 VAL 201.A O no hydrogen 2.851 N/A ARG 90.A NH2 GLU 469.A OE1 no hydrogen 3.084 N/A LYS 92.A N GLU 467.A O no hydrogen 2.619 N/A LYS 92.A NZ GLU 469.A OE1 no hydrogen 2.942 N/A LYS 93.A N GLU 467.A O no hydrogen 3.006 N/A LYS 93.A NZ GLU 467.A OE1 no hydrogen 3.049 N/A LEU 94.A N TYR 196.A O no hydrogen 2.896 N/A SER 95.A N GLU 465.A O no hydrogen 2.847 N/A PHE 96.A N PHE 194.A O no hydrogen 2.876 N/A LYS 97.A N SER 463.A O no hydrogen 2.914 N/A LEU 98.A N PHE 192.A O no hydrogen 2.887 N/A PHE 99.A N GLN 461.A O no hydrogen 2.954 N/A ASN 100.A ND2 GLN 461.A OE1 no hydrogen 3.638 N/A GLN 102.A N THR 459.A O no hydrogen 2.877 N/A LYS 104.A N TYR 457.A O no hydrogen 2.901 N/A GLU 105.A N ALA 116.A O no hydrogen 2.878 N/A VAL 106.A N THR 455.A O no hydrogen 3.099 N/A THR 107.A N THR 114.A O no hydrogen 2.872 N/A THR 107.A OG1 GLU 105.A OE2 no hydrogen 3.506 N/A THR 112.A OG1 ASP 110.A OD1 no hydrogen 2.882 N/A THR 112.A OG1 ASP 110.A OD2 no hydrogen 3.463 N/A THR 113.A OG1 GLN 108.A OE1 no hydrogen 2.787 N/A THR 114.A N THR 107.A O no hydrogen 2.953 N/A THR 114.A OG1 THR 107.A O no hydrogen 3.345 N/A ALA 116.A N GLU 105.A O no hydrogen 2.916 N/A ASN 118.A N VAL 103.A O no hydrogen 3.082 N/A ASN 118.A ND2 GLN 456.A OE1 no hydrogen 2.975 N/A THR 120.A OG1 ASN 118.A OD1 no hydrogen 3.544 N/A THR 122.A OG1 THR 435.A OG1 no hydrogen 3.380 N/A VAL 123.A N LEU 186.A O no hydrogen 2.915 N/A GLN 124.A N LYS 433.A O no hydrogen 2.899 N/A VAL 125.A N GLN 184.A O no hydrogen 2.914 N/A PHE 126.A N MET 431.A O no hydrogen 2.964 N/A ASP 128.A N GLN 429.A O no hydrogen 3.177 N/A SER 129.A N THR 127.A O no hydrogen 3.006 N/A TYR 131.A OH PRO 426.A O no hydrogen 2.615 N/A GLN 132.A N ASP 128.A OD1 no hydrogen 3.060 N/A GLN 132.A N ASP 128.A OD2 no hydrogen 3.131 N/A TYR 135.A OH PRO 427.A O no hydrogen 2.566 N/A VAL 136.A N GLN 429.A OE1 no hydrogen 3.062 N/A SER 139.A OG VAL 136.A O no hydrogen 3.497 N/A CYS 144.A SG HIS 71.A NE2 no hydrogen 3.837 N/A ASP 151.A N PHE 148.A O no hydrogen 3.126 N/A PHE 153.A N THR 29.A O no hydrogen 2.963 N/A VAL 155.A N ALA 31.A O no hydrogen 3.092 N/A GLN 157.A NE2 ASN 36.A OD1 no hydrogen 2.942 N/A GLN 157.A NE2 THR 60.A O no hydrogen 2.851 N/A TYR 158.A N TRP 62.A O no hydrogen 2.812 N/A TYR 158.A OH PRO 134.A O no hydrogen 2.589 N/A TYR 160.A N TYR 58.A O no hydrogen 2.933 N/A TYR 160.A OH TYR 176.A O no hydrogen 2.813 N/A THR 162.A N PHE 56.A O no hydrogen 2.911 N/A THR 162.A OG1 PHE 56.A O no hydrogen 3.535 N/A ASN 164.A ND2 GLY 166.A O no hydrogen 2.464 N/A SER 167.A OG GLN 46.A O no hydrogen 3.516 N/A SER 173.A N VAL 170.A O no hydrogen 2.805 N/A SER 173.A OG LEU 163.A O no hydrogen 2.765 N/A SER 173.A OG VAL 170.A O no hydrogen 3.113 N/A TYR 176.A N TYR 160.A OH no hydrogen 2.809 N/A CYS 177.A SG GLU 179.A OE1 no hydrogen 3.732 N/A LEU 178.A N TYR 40.A OH no hydrogen 2.805 N/A TYR 180.A N CYS 177.A O no hydrogen 3.090 N/A SER 183.A OG VAL 125.A O no hydrogen 3.147 N/A GLN 184.A N VAL 125.A O no hydrogen 2.911 N/A GLN 184.A NE2 ASN 191.A O no hydrogen 3.667 N/A LEU 186.A N VAL 123.A O no hydrogen 2.888 N/A ARG 187.A N ASN 190.A OD1 no hydrogen 3.178 N/A ARG 187.A NE THR 120.A O no hydrogen 3.075 N/A THR 188.A OG1 ILE 101.A O no hydrogen 3.090 N/A ASN 190.A N ARG 187.A O no hydrogen 3.219 N/A PHE 192.A N LEU 98.A O no hydrogen 2.933 N/A PHE 194.A N PHE 96.A O no hydrogen 2.931 N/A SER 195.A OG LEU 94.A O no hydrogen 3.432 N/A TYR 196.A N LEU 94.A O no hydrogen 2.908 N/A TYR 196.A OH HIS 425.A O no hydrogen 2.522 N/A PHE 198.A N LYS 92.A O no hydrogen 3.250 N/A GLU 199.A N GLU 199.A OE1 no hydrogen 3.253 N/A HIS 204.A N PHE 89.A O no hydrogen 3.197 N/A HIS 204.A NE2 THR 512.A OG1 no hydrogen 3.103 N/A SER 206.A N TRP 87.A O no hydrogen 3.427 N/A SER 206.A OG ASN 86.A O no hydrogen 2.804 N/A ALA 208.A N LEU 515.A O no hydrogen 2.496 N/A HIS 209.A NE2 GLN 391.A OE1 no hydrogen 3.170 N/A SER 210.A N ARG 517.A O no hydrogen 2.679 N/A SER 212.A OG ASP 214.A OD1 no hydrogen 2.470 N/A ARG 215.A N SER 212.A O no hydrogen 3.215 N/A GLN 223.A N ALA 249.A O no hydrogen 3.018 N/A GLN 223.A NE2 ALA 258.A O no hydrogen 3.337 N/A TYR 227.A N SER 247.A O no hydrogen 2.895 N/A ASN 229.A N LEU 245.A O no hydrogen 2.928 N/A ARG 230.A N LEU 245.A O no hydrogen 3.410 N/A THR 235.A OG1 THR 238.A OG1 no hydrogen 2.904 N/A THR 238.A N THR 235.A O no hydrogen 3.310 N/A THR 238.A OG1 THR 235.A O no hydrogen 3.068 N/A THR 238.A OG1 THR 235.A OG1 no hydrogen 2.904 N/A GLN 241.A N THR 238.A O no hydrogen 3.408 N/A ARG 243.A N THR 231.A O no hydrogen 2.407 N/A LEU 245.A N ARG 230.A O no hydrogen 2.964 N/A SER 247.A N TYR 227.A O no hydrogen 2.900 N/A GLY 250.A N SER 253.A OG no hydrogen 3.354 N/A LEU 256.A N SER 253.A O no hydrogen 3.418 N/A GLN 257.A NE2 GLY 250.A O no hydrogen 3.570 N/A ALA 258.A N GLN 223.A OE1 no hydrogen 3.114 N/A ARG 259.A NE ASP 214.A O no hydrogen 3.314 N/A ARG 259.A NH2 ASP 214.A O no hydrogen 2.667 N/A ARG 259.A NH2 MET 254.A O no hydrogen 3.042 N/A LEU 262.A N GLY 387.A O no hydrogen 3.117 N/A CYS 266.A SG ASN 380.A O no hydrogen 3.894 N/A ARG 268.A N ASN 380.A O no hydrogen 3.339 N/A ARG 268.A NH1 ASN 380.A OD1 no hydrogen 3.035 N/A GLN 269.A N ALA 356.A O no hydrogen 3.312 N/A GLN 269.A NE2 VAL 301.A O no hydrogen 3.527 N/A GLN 269.A NE2 HIS 321.A O no hydrogen 3.024 N/A LEU 272.A N PHE 318.A O no hydrogen 2.902 N/A SER 273.A N ASN 279.A OD1 no hydrogen 2.843 N/A SER 273.A OG THR 275.A O no hydrogen 2.711 N/A SER 273.A OG ASN 279.A OD1 no hydrogen 2.858 N/A LYS 274.A N LYS 316.A O no hydrogen 2.777 N/A ASP 278.A N THR 275.A O no hydrogen 3.281 N/A ASN 279.A N ALA 276.A O no hydrogen 3.209 N/A ASN 279.A ND2 SER 273.A O no hydrogen 3.094 N/A ASN 279.A ND2 ALA 276.A O no hydrogen 3.652 N/A SER 282.A OG ASN 280.A OD1 no hydrogen 2.708 N/A THR 287.A N PHE 284.A O no hydrogen 2.743 N/A THR 287.A OG1 PHE 284.A O no hydrogen 2.611 N/A ALA 288.A N PHE 284.A O no hydrogen 2.771 N/A SER 290.A OG ARG 268.A O no hydrogen 2.421 N/A LYS 291.A NZ TRP 286.A O no hydrogen 3.517 N/A LYS 291.A NZ ALA 289.A O no hydrogen 3.546 N/A TYR 292.A N SER 299.A O no hydrogen 2.947 N/A LEU 294.A N ARG 297.A O no hydrogen 2.926 N/A ARG 297.A N LEU 294.A O no hydrogen 2.926 N/A ASP 298.A N ASP 52.A OD1 no hydrogen 3.217 N/A ALA 308.A N PRO 354.A O no hydrogen 3.204 N/A SER 309.A OG ASP 345.A OD2 no hydrogen 3.340 N/A HIS 310.A ND1 LYS 311.A O no hydrogen 2.833 N/A HIS 310.A NE2 ASP 345.A OD1 no hydrogen 2.796 N/A LYS 316.A NZ ASP 278.A OD1 no hydrogen 3.416 N/A PHE 318.A N LEU 272.A O no hydrogen 2.894 N/A MET 320.A N GLN 270.A O no hydrogen 2.804 N/A ASN 323.A ND2 THR 344.A O no hydrogen 2.885 N/A PHE 326.A N MET 342.A O no hydrogen 2.889 N/A LYS 328.A N ASN 340.A O no hydrogen 3.397 N/A LYS 328.A NZ ASP 339.A O no hydrogen 3.283 N/A GLY 330.A N GLU 329.A OE2 no hydrogen 3.326 N/A THR 331.A OG1 LYS 328.A O no hydrogen 2.862 N/A THR 331.A OG1 ASN 340.A O no hydrogen 3.333 N/A THR 332.A OG1 SER 334.A O no hydrogen 3.528 N/A ASN 340.A N GLU 337.A O no hydrogen 3.179 N/A VAL 341.A N LEU 338.A O no hydrogen 3.472 N/A MET 342.A N PHE 326.A O no hydrogen 2.873 N/A THR 344.A N LEU 324.A O no hydrogen 3.060 N/A THR 344.A OG1 LEU 324.A O no hydrogen 3.043 N/A GLU 346.A N SER 309.A OG no hydrogen 2.892 N/A ARG 350.A N GLU 347.A O no hydrogen 2.913 N/A ARG 350.A NH1 LYS 311.A O no hydrogen 3.412 N/A ASN 353.A N ILE 349.A O no hydrogen 2.864 N/A ASN 353.A ND2 GLN 391.A O no hydrogen 2.700 N/A ALA 356.A N ALA 308.A O no hydrogen 2.929 N/A THR 357.A OG1 GLU 358.A OE1 no hydrogen 2.069 N/A GLN 359.A N GLN 359.A OE1 no hydrogen 2.655 N/A TYR 360.A N VAL 379.A O no hydrogen 3.162 N/A TYR 360.A OH PRO 263.A O no hydrogen 2.735 N/A VAL 363.A N ARG 377.A O no hydrogen 2.910 N/A ASN 365.A N THR 375.A O no hydrogen 3.110 N/A ASN 366.A ND2 ALA 373.A O no hydrogen 3.243 N/A SER 369.A N THR 372.A O no hydrogen 2.935 N/A THR 372.A OG1 ALA 373.A O no hydrogen 3.320 N/A THR 375.A N ASN 366.A OD1 no hydrogen 2.790 N/A ARG 377.A N VAL 363.A O no hydrogen 2.883 N/A VAL 379.A N GLY 361.A O no hydrogen 2.909 N/A GLN 382.A N CYS 266.A O no hydrogen 3.106 N/A MET 388.A N LEU 385.A O no hydrogen 3.272 N/A VAL 389.A N LEU 262.A O no hydrogen 3.128 N/A GLN 391.A NE2 SER 205.A OG no hydrogen 2.990 N/A ARG 393.A NH1 GLY 304.A O no hydrogen 3.009 N/A ARG 393.A NH1 LEU 417.A O no hydrogen 2.657 N/A ARG 393.A NH2 PRO 303.A O no hydrogen 3.182 N/A ASP 394.A N GLU 346.A OE1 no hydrogen 3.142 N/A TYR 396.A OH GLU 346.A OE2 no hydrogen 2.047 N/A LEU 397.A N ILE 510.A O no hydrogen 3.277 N/A GLN 398.A N GLN 398.A OE1 no hydrogen 2.942 N/A GLN 398.A NE2 ARG 508.A O no hydrogen 3.302 N/A GLY 399.A N TYR 396.A O no hydrogen 2.915 N/A ILE 401.A N ASN 68.A OD1 no hydrogen 2.805 N/A TRP 402.A N ASN 68.A OD1 no hydrogen 2.998 N/A TRP 402.A NE1 TYR 135.A OH no hydrogen 3.223 N/A ALA 403.A N PHE 421.A O no hydrogen 3.080 N/A ILE 405.A N LEU 423.A O no hydrogen 3.103 N/A THR 408.A OG1 PRO 406.A O no hydrogen 3.485 N/A THR 408.A OG1 GLY 410.A O no hydrogen 3.343 N/A THR 408.A OG1 HIS 411.A NE2 no hydrogen 3.203 N/A HIS 411.A NE2 PRO 406.A O no hydrogen 2.988 N/A SER 415.A OG ASP 392.A OD2 no hydrogen 2.965 N/A PHE 421.A N ILE 401.A O no hydrogen 2.986 N/A LEU 423.A N ALA 403.A O no hydrogen 3.024 N/A HIS 425.A N GLU 199.A OE2 no hydrogen 3.235 N/A GLN 429.A NE2 PRO 134.A O no hydrogen 3.112 N/A MET 431.A N PHE 126.A O no hydrogen 2.880 N/A ILE 432.A N GLY 63.A O no hydrogen 3.219 N/A LYS 433.A N GLN 124.A O no hydrogen 2.879 N/A LYS 433.A NZ GLN 124.A OE1 no hydrogen 3.198 N/A LYS 433.A NZ GLU 179.A OE2 no hydrogen 2.696 N/A ASN 434.A ND2 LEU 32.A O no hydrogen 3.331 N/A THR 435.A OG1 THR 122.A OG1 no hydrogen 3.380 N/A ALA 439.A N SER 452.A O no hydrogen 2.799 N/A SER 452.A OG SER 452.A O no hydrogen 2.304 N/A ILE 454.A N VAL 437.A O no hydrogen 2.845 N/A THR 455.A OG1 VAL 106.A O no hydrogen 2.968 N/A TYR 457.A N LYS 104.A O no hydrogen 2.921 N/A SER 458.A N LEU 32.A O no hydrogen 2.919 N/A SER 458.A OG GLN 102.A O no hydrogen 2.961 N/A THR 459.A N GLN 102.A O no hydrogen 2.911 N/A THR 459.A OG1 TRP 30.A O no hydrogen 2.930 N/A GLY 460.A N TRP 30.A O no hydrogen 2.964 N/A GLN 461.A N PHE 99.A O no hydrogen 2.940 N/A GLN 461.A NE2 THR 29.A OG1 no hydrogen 2.950 N/A VAL 462.A N ARG 28.A O no hydrogen 2.926 N/A SER 463.A N LYS 97.A O no hydrogen 2.880 N/A SER 463.A OG THR 27.A OG1 no hydrogen 2.945 N/A VAL 464.A N SER 26.A O no hydrogen 2.897 N/A GLU 465.A N SER 95.A O no hydrogen 2.928 N/A ILE 466.A N THR 24.A O no hydrogen 2.895 N/A GLU 467.A N LYS 93.A O no hydrogen 2.886 N/A TRP 468.A N VAL 22.A O no hydrogen 2.890 N/A GLU 469.A N ARG 90.A O no hydrogen 2.839 N/A LEU 470.A N ASP 20.A O no hydrogen 3.072 N/A GLN 471.A N GLY 88.A O no hydrogen 3.117 N/A SER 475.A OG GLU 473.A OE1 no hydrogen 3.007 N/A SER 475.A OG GLU 481.A OE2 no hydrogen 3.413 N/A GLN 483.A NE2 ASN 84.A O no hydrogen 3.026 N/A TYR 484.A N ASN 84.A OD1 no hydrogen 3.158 N/A ASN 487.A ND2 ASN 489.A OD1 no hydrogen 2.885 N/A SER 491.A OG ASN 493.A O no hydrogen 3.327 N/A THR 497.A OG1 VAL 494.A O no hydrogen 2.683 N/A ASN 501.A N ASP 499.A OD2 no hydrogen 3.302 N/A GLY 502.A N ASP 499.A O no hydrogen 2.954 N/A VAL 503.A N ASP 499.A OD1 no hydrogen 2.709 N/A ARG 508.A NH1 ASP 495.A OD2 no hydrogen 2.416 N/A THR 512.A N ASP 394.A OD1 no hydrogen 3.440 N/A THR 512.A OG1 HIS 204.A NE2 no hydrogen 3.103 N/A THR 512.A OG1 ASP 394.A OD1 no hydrogen 2.604 N/A ARG 513.A NE SER 205.A O no hydrogen 2.802 N/A ARG 513.A NH1 ASP 392.A O no hydrogen 2.570 N/A ARG 513.A NH2 SER 205.A OG no hydrogen 2.833 N/A ARG 513.A NH2 ASP 392.A O no hydrogen 2.533 N/A THR 516.A OG1 SER 210.A OG no hydrogen 3.012 N/A ARG 517.A N ALA 208.A O no hydrogen 2.860 N/A