Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8xxn_3N.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 9.A N GLN 9.A OE1 no hydrogen 2.585 N/A ASN 11.A ND2 GLY 16.A O no hydrogen 3.467 N/A CYS 18.A SG ASP 10.A O no hydrogen 3.255 N/A ARG 25.A N GLU 22.A O no hydrogen 2.883 N/A GLN 30.A NE2 GLN 65.A OE1 no hydrogen 2.747 N/A SER 33.A OG ASP 36.A OD1 no hydrogen 3.005 N/A VAL 41.A N TYR 49.A OH no hydrogen 3.035 N/A THR 45.A OG1 ASP 43.A OD1 no hydrogen 2.300 N/A GLY 46.A N ASP 43.A OD1 no hydrogen 3.017 N/A THR 53.A OG1 LYS 50.A O no hydrogen 2.342 N/A ASN 54.A N LYS 50.A O no hydrogen 2.928 N/A LYS 55.A N ARG 51.A O no hydrogen 2.950 N/A TYR 56.A N TYR 52.A O no hydrogen 2.871 N/A SER 57.A OG THR 53.A O no hydrogen 3.519 N/A SER 57.A OG ASN 54.A O no hydrogen 2.336 N/A GLN 65.A N GLN 65.A OE1 no hydrogen 2.800 N/A TYR 66.A OH PRO 28.A O no hydrogen 2.748 N/A TYR 68.A OH HIS 70.A ND1 no hydrogen 2.640 N/A HIS 70.A ND1 TYR 68.A OH no hydrogen 2.640 N/A GLU 74.A N GLU 72.A O no hydrogen 2.729 N/A GLU 89.A N SER 441.A O no hydrogen 2.988 N/A LYS 91.A N VAL 439.A O no hydrogen 2.972 N/A LYS 91.A NZ SER 441.A OG no hydrogen 3.150 N/A MET 94.A N ILE 437.A O no hydrogen 3.383 N/A LEU 99.A N ASP 95.A O no hydrogen 2.987 N/A MET 100.A N PHE 96.A O no hydrogen 2.849 N/A LYS 101.A N PRO 97.A O no hydrogen 2.985 N/A LYS 101.A N GLN 98.A O no hydrogen 3.060 N/A MET 102.A N GLN 98.A O no hydrogen 3.057 N/A TYR 104.A OH LEU 285.A O no hydrogen 2.484 N/A GLN 111.A N ARG 282.A O no hydrogen 2.962 N/A ILE 113.A N TYR 280.A O no hydrogen 2.933 N/A GLU 114.A N TYR 280.A O no hydrogen 2.988 N/A CYS 115.A SG ASP 112.A OD1 no hydrogen 3.461 N/A CYS 115.A SG ASP 112.A OD2 no hydrogen 3.337 N/A CYS 116.A N TYR 278.A O no hydrogen 2.865 N/A GLY 117.A N ASN 259.A O no hydrogen 3.234 N/A ALA 118.A N VAL 276.A O no hydrogen 2.927 N/A LEU 119.A N TYR 255.A O no hydrogen 2.714 N/A GLU 120.A N SER 275.A OG no hydrogen 2.863 N/A ASP 123.A N CYS 247.A O no hydrogen 3.395 N/A ASP 127.A N LYS 124.A O no hydrogen 3.311 N/A ILE 129.A N ALA 125.A O no hydrogen 2.977 N/A THR 130.A N SER 133.A OG no hydrogen 2.916 N/A THR 131.A OG1 ARG 330.A O no hydrogen 3.195 N/A ARG 132.A N THR 130.A OG1 no hydrogen 3.028 N/A LEU 137.A N HIS 383.A O no hydrogen 2.593 N/A LYS 141.A NZ SER 139.A O no hydrogen 2.941 N/A ILE 143.A N GLU 272.A O no hydrogen 2.878 N/A THR 146.A OG1 ASP 207.A OD2 no hydrogen 3.309 N/A THR 148.A OG1 ASP 202.A OD1 no hydrogen 3.039 N/A ASP 151.A N THR 148.A O no hydrogen 2.849 N/A VAL 154.A N ASP 152.A OD1 no hydrogen 3.162 N/A ARG 156.A N ASP 152.A O no hydrogen 2.936 N/A ARG 156.A NE ASP 152.A O no hydrogen 3.253 N/A LYS 157.A N PRO 153.A O no hydrogen 2.879 N/A LEU 158.A N VAL 154.A O no hydrogen 2.925 N/A ALA 159.A N ILE 155.A O no hydrogen 2.805 N/A LYS 160.A N LYS 157.A O no hydrogen 3.381 N/A THR 161.A OG1 THR 161.A O no hydrogen 2.566 N/A GLN 162.A N LEU 158.A O no hydrogen 3.266 N/A ASN 164.A N ASP 290.A O no hydrogen 3.229 N/A ASN 164.A ND2 ASP 288.A O no hydrogen 2.570 N/A VAL 165.A N ASP 290.A O no hydrogen 2.980 N/A ALA 167.A N ILE 292.A O no hydrogen 2.918 N/A LEU 172.A N THR 168.A O no hydrogen 2.953 N/A ALA 173.A N ASP 169.A O no hydrogen 2.803 N/A THR 174.A N ALA 170.A O no hydrogen 3.005 N/A LEU 175.A N ILE 171.A O no hydrogen 3.001 N/A MET 176.A N ALA 173.A O no hydrogen 3.219 N/A SER 177.A N ALA 173.A O no hydrogen 2.924 N/A SER 177.A OG ALA 173.A O no hydrogen 2.805 N/A CYS 178.A SG THR 174.A O no hydrogen 3.150 N/A CYS 178.A SG LEU 175.A O no hydrogen 3.536 N/A ARG 180.A NH1 SER 349.A O no hydrogen 3.417 N/A ARG 180.A NH2 ILE 400.A O no hydrogen 3.090 N/A SER 181.A OG CYS 178.A O no hydrogen 2.359 N/A SER 181.A OG TYR 350.A OH no hydrogen 3.005 N/A TYR 183.A N GLU 213.A OE2 no hydrogen 3.307 N/A ILE 187.A N ILE 428.A O no hydrogen 3.380 N/A VAL 188.A N ASP 199.A O no hydrogen 2.913 N/A VAL 189.A N TYR 426.A O no hydrogen 2.684 N/A GLN 190.A N PHE 197.A O no hydrogen 2.949 N/A GLN 190.A NE2 ASP 199.A OD2 no hydrogen 2.385 N/A ARG 191.A N GLY 424.A O no hydrogen 2.787 N/A LYS 195.A N VAL 192.A O no hydrogen 2.986 N/A LYS 195.A NZ ALA 159.A O no hydrogen 3.155 N/A LYS 195.A NZ GLY 163.A O no hydrogen 2.999 N/A LEU 196.A N ASN 164.A O no hydrogen 2.603 N/A PHE 197.A N GLN 190.A O no hydrogen 2.952 N/A LYS 200.A NZ THR 146.A O no hydrogen 3.396 N/A SER 204.A N ARG 201.A O no hydrogen 3.233 N/A SER 204.A OG ARG 201.A O no hydrogen 2.454 N/A ASP 205.A N ASP 205.A OD1 no hydrogen 2.458 N/A LEU 209.A N THR 237.A OG1 no hydrogen 3.077 N/A THR 210.A OG1 VAL 211.A O no hydrogen 3.225 N/A SER 212.A OG SER 212.A O no hydrogen 2.549 N/A THR 214.A N ASN 347.A O no hydrogen 2.885 N/A THR 214.A OG1 LYS 346.A O no hydrogen 2.529 N/A THR 214.A OG1 ASN 347.A O no hydrogen 3.306 N/A GLN 220.A NE2 PRO 218.A O no hydrogen 3.192 N/A GLU 222.A N GLU 222.A OE1 no hydrogen 2.785 N/A SER 225.A OG ASP 221.A OD2 no hydrogen 2.210 N/A SER 225.A OG GLU 222.A O no hydrogen 2.928 N/A SER 225.A OG GLU 222.A OE2 no hydrogen 2.787 N/A ASN 227.A N ASP 221.A OD2 no hydrogen 3.266 N/A ASN 231.A N SER 228.A OG no hydrogen 3.195 N/A ASN 231.A ND2 GLY 223.A O no hydrogen 2.582 N/A LEU 232.A N SER 228.A O no hydrogen 2.913 N/A ALA 233.A N PRO 229.A O no hydrogen 2.922 N/A MET 234.A N ARG 230.A O no hydrogen 2.956 N/A GLU 235.A N ASN 231.A O no hydrogen 2.916 N/A ALA 236.A N LEU 232.A O no hydrogen 2.821 N/A THR 237.A N ALA 233.A O no hydrogen 2.957 N/A THR 237.A OG1 ASP 207.A O no hydrogen 3.363 N/A THR 237.A OG1 ALA 233.A O no hydrogen 2.898 N/A TYR 238.A N MET 234.A O no hydrogen 2.952 N/A ILE 239.A N GLU 235.A O no hydrogen 2.903 N/A ASN 240.A N ALA 236.A O no hydrogen 2.875 N/A ASN 240.A ND2 THR 315.A O no hydrogen 2.738 N/A HIS 241.A N THR 237.A O no hydrogen 3.011 N/A ASN 242.A N TYR 238.A O no hydrogen 2.892 N/A PHE 243.A N ILE 239.A O no hydrogen 2.944 N/A SER 244.A N ASN 240.A O no hydrogen 2.937 N/A SER 244.A OG ASN 240.A O no hydrogen 2.425 N/A SER 244.A OG ILE 313.A O no hydrogen 3.312 N/A GLN 245.A N HIS 241.A O no hydrogen 3.036 N/A GLN 245.A N ASN 242.A O no hydrogen 3.193 N/A GLN 246.A N PHE 243.A O no hydrogen 3.044 N/A CYS 247.A N PHE 243.A O no hydrogen 2.971 N/A CYS 247.A SG PHE 243.A O no hydrogen 3.399 N/A ARG 249.A N TYR 121.A O no hydrogen 3.121 N/A ARG 249.A NE ASP 123.A OD1 no hydrogen 2.795 N/A ARG 249.A NH2 TYR 122.A O no hydrogen 3.045 N/A TYR 255.A N LEU 119.A O no hydrogen 2.489 N/A LYS 270.A NZ GLU 272.A OE1 no hydrogen 3.515 N/A SER 275.A N GLN 245.A OE1 no hydrogen 3.369 N/A SER 275.A OG ASP 298.A O no hydrogen 3.140 N/A ALA 277.A N HIS 297.A O no hydrogen 3.200 N/A TYR 278.A N CYS 116.A O no hydrogen 2.856 N/A ARG 279.A N CYS 295.A O no hydrogen 2.581 N/A ARG 279.A NE HIS 297.A NE2 no hydrogen 3.082 N/A ARG 279.A NH1 ASP 112.A OD2 no hydrogen 3.118 N/A TYR 280.A N GLU 114.A O no hydrogen 2.881 N/A TYR 280.A OH ASP 152.A OD2 no hydrogen 2.700 N/A ARG 281.A NH2 PRO 110.A O no hydrogen 3.290 N/A ARG 282.A N GLN 111.A O no hydrogen 2.831 N/A ARG 282.A NH1 ARG 281.A O no hydrogen 3.399 N/A TRP 283.A N LEU 291.A O no hydrogen 3.360 N/A ILE 289.A N GLY 286.A O no hydrogen 3.466 N/A ASP 290.A N ASN 164.A OD1 no hydrogen 2.515 N/A ILE 292.A N VAL 165.A O no hydrogen 2.883 N/A ARG 294.A N ALA 167.A O no hydrogen 2.943 N/A ARG 294.A NE GLU 296.A OE2 no hydrogen 2.794 N/A ARG 294.A NH1 VAL 147.A O no hydrogen 3.136 N/A ARG 294.A NH2 GLU 296.A OE2 no hydrogen 3.218 N/A CYS 295.A N ARG 279.A O no hydrogen 2.527 N/A CYS 295.A SG LEU 361.A O no hydrogen 3.333 N/A GLU 296.A N ASP 169.A OD2 no hydrogen 2.417 N/A HIS 297.A N ALA 277.A O no hydrogen 2.922 N/A VAL 300.A N GLU 120.A O no hydrogen 3.106 N/A MET 301.A N SER 309.A O no hydrogen 3.045 N/A SER 309.A N MET 301.A O no hydrogen 3.136 N/A ILE 311.A N GLY 299.A O no hydrogen 3.105 N/A ASN 312.A N TYR 366.A O no hydrogen 2.937 N/A LYS 314.A N LYS 368.A O no hydrogen 2.982 N/A LEU 316.A N GLY 370.A O no hydrogen 2.888 N/A GLU 318.A N VAL 372.A O no hydrogen 2.867 N/A ARG 322.A NE ASP 320.A OD1 no hydrogen 3.038 N/A ARG 322.A NE ASP 320.A OD2 no hydrogen 3.567 N/A HIS 323.A N ASP 320.A O no hydrogen 3.281 N/A CYS 324.A N ASP 320.A O no hydrogen 2.968 N/A CYS 324.A SG SER 212.A OG no hydrogen 2.691 N/A GLY 326.A N SER 321.A O no hydrogen 2.902 N/A TRP 329.A N GLU 318.A OE2 no hydrogen 3.035 N/A GLN 331.A N ASP 328.A O no hydrogen 3.141 N/A LYS 332.A N TRP 329.A O no hydrogen 3.135 N/A LEU 333.A N TRP 329.A O no hydrogen 2.921 N/A ASP 334.A N LYS 332.A O no hydrogen 2.665 N/A SER 335.A N LYS 332.A O no hydrogen 3.348 N/A GLN 336.A N LYS 332.A O no hydrogen 2.809 N/A ARG 337.A NE GLN 389.A OE1 no hydrogen 2.829 N/A ARG 337.A NH2 GLN 389.A OE1 no hydrogen 2.577 N/A VAL 340.A N GLN 336.A O no hydrogen 3.082 N/A ILE 341.A N ARG 337.A O no hydrogen 2.947 N/A ALA 342.A N GLY 338.A O no hydrogen 2.826 N/A THR 343.A N ALA 339.A O no hydrogen 2.897 N/A THR 343.A OG1 ALA 339.A O no hydrogen 2.886 N/A GLU 344.A N VAL 340.A O no hydrogen 3.063 N/A LEU 345.A N ILE 341.A O no hydrogen 2.832 N/A LYS 346.A N ALA 342.A O no hydrogen 2.910 N/A LYS 346.A NZ THR 214.A O no hydrogen 2.548 N/A ASN 347.A N THR 343.A O no hydrogen 2.994 N/A ASN 347.A ND2 CYS 324.A O no hydrogen 3.636 N/A ASN 348.A N GLU 344.A O no hydrogen 2.947 N/A ASN 348.A ND2 THR 210.A O no hydrogen 3.342 N/A TYR 350.A OH SER 181.A OG no hydrogen 3.005 N/A LYS 351.A NZ LYS 351.A O no hydrogen 3.256 N/A ALA 353.A N SER 349.A O no hydrogen 2.931 N/A ARG 354.A N TYR 350.A O no hydrogen 2.930 N/A TRP 355.A N LYS 351.A O no hydrogen 3.003 N/A THR 356.A N LEU 352.A O no hydrogen 2.856 N/A THR 356.A OG1 LEU 352.A O no hydrogen 2.778 N/A CYS 357.A N ALA 353.A O no hydrogen 2.941 N/A CYS 357.A SG ALA 173.A O no hydrogen 3.745 N/A CYS 357.A SG SER 177.A OG no hydrogen 3.655 N/A CYS 357.A SG ALA 353.A O no hydrogen 3.244 N/A CYS 357.A SG ARG 354.A O no hydrogen 3.149 N/A CYS 358.A N ARG 354.A O no hydrogen 2.960 N/A CYS 358.A SG ASP 169.A O no hydrogen 3.522 N/A CYS 358.A SG ARG 354.A O no hydrogen 3.176 N/A ALA 359.A N TRP 355.A O no hydrogen 2.892 N/A LEU 360.A N THR 356.A O no hydrogen 2.929 N/A LEU 361.A N CYS 357.A O no hydrogen 2.885 N/A ALA 362.A N CYS 358.A O no hydrogen 2.870 N/A GLY 363.A N ALA 359.A O no hydrogen 2.910 N/A SER 364.A N ALA 359.A O no hydrogen 3.327 N/A SER 364.A OG HIS 297.A ND1 no hydrogen 3.093 N/A TYR 366.A N PHE 310.A O no hydrogen 2.928 N/A LEU 367.A N PHE 391.A O no hydrogen 2.899 N/A LYS 368.A N ASN 312.A O no hydrogen 2.873 N/A LYS 368.A NZ ASP 127.A OD1 no hydrogen 2.956 N/A LYS 368.A NZ ASP 127.A OD2 no hydrogen 3.344 N/A LEU 369.A N GLN 389.A O no hydrogen 2.913 N/A GLY 370.A N LYS 314.A O no hydrogen 2.897 N/A TYR 371.A N GLY 387.A O no hydrogen 2.836 N/A VAL 372.A N LEU 316.A O no hydrogen 2.947 N/A SER 373.A N VAL 384.A O no hydrogen 2.903 N/A SER 373.A OG GLU 318.A OE1 no hydrogen 3.074 N/A SER 373.A OG ARG 374.A O no hydrogen 2.899 N/A ARG 374.A N GLU 318.A O no hydrogen 2.997 N/A ARG 374.A NH1 ASN 227.A OD1 no hydrogen 3.463 N/A ARG 374.A NH2 ASN 227.A OD1 no hydrogen 3.551 N/A TYR 375.A N ARG 382.A O no hydrogen 2.879 N/A HIS 376.A ND1 ASP 379.A OD1 no hydrogen 2.809 N/A SER 381.A OG ASP 379.A OD2 no hydrogen 2.603 N/A ARG 382.A NH1 LEU 137.A O no hydrogen 2.919 N/A ARG 382.A NH2 LEU 137.A O no hydrogen 2.532 N/A VAL 384.A N SER 373.A O no hydrogen 2.915 N/A ILE 385.A N LYS 135.A O no hydrogen 2.800 N/A LEU 386.A N TYR 371.A O no hydrogen 2.808 N/A GLY 387.A N TYR 371.A O no hydrogen 3.085 N/A THR 388.A OG1 PHE 126.A O no hydrogen 3.106 N/A GLN 389.A N LEU 369.A O no hydrogen 2.920 N/A PHE 391.A N LEU 367.A O no hydrogen 2.894 N/A LYS 392.A NZ GLU 365.A OE2 no hydrogen 2.913 N/A PHE 396.A N LYS 392.A O no hydrogen 2.889 N/A ALA 397.A N PRO 393.A O no hydrogen 2.892 N/A SER 398.A N ASN 394.A O no hydrogen 2.932 N/A SER 398.A OG GLU 395.A O no hydrogen 2.874 N/A GLN 399.A N GLU 395.A O no hydrogen 2.856 N/A ILE 400.A N PHE 396.A O no hydrogen 2.907 N/A ASN 401.A N SER 398.A O no hydrogen 3.310 N/A LEU 402.A N ALA 397.A O no hydrogen 2.765 N/A SER 403.A OG ASN 406.A OD1 no hydrogen 3.565 N/A ASN 406.A ND2 LEU 99.A O no hydrogen 2.422 N/A ASN 406.A ND2 MET 102.A O no hydrogen 3.082 N/A ALA 407.A N SER 403.A O no hydrogen 2.938 N/A TRP 408.A N VAL 404.A O no hydrogen 2.890 N/A GLY 409.A N GLU 405.A O no hydrogen 2.905 N/A ILE 410.A N ASN 406.A O no hydrogen 2.880 N/A LEU 411.A N ALA 407.A O no hydrogen 3.030 N/A ARG 412.A N TRP 408.A O no hydrogen 2.839 N/A ARG 412.A NH1 GLY 286.A O no hydrogen 2.940 N/A CYS 413.A N GLY 409.A O no hydrogen 2.900 N/A CYS 413.A SG GLY 409.A O no hydrogen 3.462 N/A CYS 413.A SG ILE 410.A O no hydrogen 3.148 N/A VAL 414.A N ILE 410.A O no hydrogen 3.021 N/A ILE 415.A N LEU 411.A O no hydrogen 2.887 N/A ASP 416.A N ARG 412.A O no hydrogen 2.920 N/A ILE 417.A N CYS 413.A O no hydrogen 3.006 N/A CYS 418.A N VAL 414.A O no hydrogen 2.931 N/A MET 419.A N ILE 415.A O no hydrogen 2.883 N/A LYS 420.A N ASP 416.A O no hydrogen 2.963 N/A LEU 421.A N ILE 417.A O no hydrogen 2.927 N/A TYR 426.A N VAL 189.A O no hydrogen 2.379 N/A TYR 426.A OH GLU 422.A O no hydrogen 2.538 N/A LEU 427.A N TYR 440.A O no hydrogen 2.894 N/A ILE 428.A N ILE 187.A O no hydrogen 2.920 N/A LEU 429.A N ARG 438.A O no hydrogen 2.904 N/A LYS 430.A N TRP 185.A O no hydrogen 3.282 N/A LYS 430.A NZ ASP 431.A O no hydrogen 2.520 N/A LYS 430.A NZ LYS 434.A O no hydrogen 2.789 N/A ASP 431.A N VAL 436.A O no hydrogen 2.963 N/A ASN 433.A N ASP 431.A OD1 no hydrogen 2.818 N/A LYS 434.A N ASP 431.A OD1 no hydrogen 3.055 N/A GLN 435.A NE2 SER 181.A O no hydrogen 2.451 N/A VAL 436.A N LYS 434.A O no hydrogen 2.802 N/A ILE 437.A N MET 94.A O no hydrogen 3.364 N/A ARG 438.A N LEU 429.A O no hydrogen 2.877 N/A ARG 438.A NE GLU 93.A OE1 no hydrogen 3.201 N/A TYR 440.A N LEU 427.A O no hydrogen 2.884 N/A SER 441.A N GLU 89.A O no hydrogen 2.818 N/A LEU 442.A N LYS 425.A O no hydrogen 2.881 N/A GLY 445.A N ASP 444.A OD1 no hydrogen 2.794 N/A