Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8toa_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N PHE 442.A O no hydrogen 3.184 N/A HIS 7.A ND1 HIS 8.A O no hydrogen 2.719 N/A GLY 13.A N GLU 25.A OE2 no hydrogen 2.902 N/A VAL 16.A N VAL 24.A O no hydrogen 3.064 N/A THR 18.A OG1 VAL 16.A O no hydrogen 3.236 N/A THR 18.A OG1 ASN 408.A OD1 no hydrogen 2.624 N/A GLY 23.A N VAL 16.A O no hydrogen 3.108 N/A VAL 24.A N VAL 16.A O no hydrogen 3.148 N/A VAL 27.A N MET 300.A O no hydrogen 2.949 N/A THR 30.A N LEU 296.A O no hydrogen 3.352 N/A THR 30.A OG1 GLU 31.A O no hydrogen 3.544 N/A GLU 31.A N THR 30.A OG1 no hydrogen 2.646 N/A THR 32.A N LEU 294.A O no hydrogen 2.990 N/A THR 32.A OG1 LEU 294.A O no hydrogen 2.527 N/A VAL 33.A N GLU 31.A OE2 no hydrogen 3.427 N/A GLU 34.A N PHE 274.A O no hydrogen 2.629 N/A THR 36.A N GLU 34.A OE2 no hydrogen 2.594 N/A THR 36.A OG1 GLU 34.A OE2 no hydrogen 2.489 N/A ASN 37.A ND2 ARG 35.A O no hydrogen 3.466 N/A ARG 40.A N ILE 38.A O no hydrogen 2.897 N/A ILE 41.A N GLN 252.A O no hydrogen 3.475 N/A CYS 42.A N THR 267.A OG1 no hydrogen 2.897 N/A CYS 42.A SG ARG 40.A O no hydrogen 4.049 N/A SER 43.A OG THR 48.A OG1 no hydrogen 3.347 N/A LYS 44.A NZ ALA 255.A O no hydrogen 2.356 N/A LYS 46.A NZ GLY 259.A O no hydrogen 2.599 N/A LYS 46.A NZ TYR 262.A OH no hydrogen 3.017 N/A ARG 47.A NH1 SER 73.A O no hydrogen 2.852 N/A ARG 47.A NH1 SER 73.A OG no hydrogen 3.086 N/A THR 48.A OG1 SER 43.A O no hydrogen 3.350 N/A THR 48.A OG1 LYS 46.A O no hydrogen 2.982 N/A VAL 49.A N LEU 76.A O no hydrogen 3.242 N/A LEU 51.A N ILE 78.A O no hydrogen 3.366 N/A CYS 54.A N LEU 51.A O no hydrogen 3.121 N/A CYS 54.A SG GLY 55.A O no hydrogen 3.260 N/A GLY 58.A N GLY 55.A O no hydrogen 2.994 N/A THR 59.A N LEU 56.A O no hydrogen 3.269 N/A THR 59.A OG1 LEU 56.A O no hydrogen 3.073 N/A THR 61.A OG1 LEU 57.A O no hydrogen 3.423 N/A THR 61.A OG1 GLY 58.A O no hydrogen 3.348 N/A GLY 62.A N GLY 58.A O no hydrogen 2.862 N/A GLN 65.A N GLN 65.A OE1 no hydrogen 2.700 N/A GLN 65.A NE2 SER 84.A O no hydrogen 3.433 N/A CYS 66.A N PRO 63.A O no hydrogen 3.252 N/A CYS 66.A SG GLY 55.A O no hydrogen 3.876 N/A PHE 69.A N CYS 66.A O no hydrogen 2.993 N/A ILE 77.A N MET 245.A O no hydrogen 3.464 N/A ILE 78.A N VAL 49.A O no hydrogen 3.246 N/A GLU 79.A N ILE 247.A O no hydrogen 3.061 N/A ARG 80.A NH1 VAL 251.A O no hydrogen 2.351 N/A ARG 80.A NH2 ASP 50.A OD2 no hydrogen 2.682 N/A ARG 80.A NH2 VAL 251.A O no hydrogen 3.119 N/A GLU 82.A N GLU 82.A OE1 no hydrogen 2.996 N/A SER 84.A OG VAL 86.A O no hydrogen 2.800 N/A VAL 86.A N SER 84.A OG no hydrogen 3.408 N/A CYS 87.A N TYR 137.A OH no hydrogen 3.407 N/A TYR 88.A N TYR 137.A OH no hydrogen 3.379 N/A TYR 88.A OH HIS 174.A NE2 no hydrogen 2.665 N/A LYS 91.A N ILE 210.A O no hydrogen 3.280 N/A VAL 93.A N PHE 212.A O no hydrogen 3.434 N/A LEU 98.A N ASN 94.A O no hydrogen 2.968 N/A ARG 99.A N GLU 95.A O no hydrogen 2.889 N/A GLN 100.A N GLU 96.A O no hydrogen 2.886 N/A ILE 101.A N ALA 97.A O no hydrogen 3.009 N/A LEU 102.A N LEU 98.A O no hydrogen 2.936 N/A ARG 103.A N ARG 99.A O no hydrogen 2.878 N/A GLU 104.A N GLN 100.A O no hydrogen 2.977 N/A SER 105.A N LEU 102.A O no hydrogen 3.262 N/A SER 105.A OG LEU 102.A O no hydrogen 2.802 N/A SER 105.A OG GLY 107.A O no hydrogen 3.121 N/A GLY 106.A N SER 244.A OG no hydrogen 2.993 N/A GLY 107.A N SER 105.A OG no hydrogen 3.031 N/A ILE 108.A N PHE 72.A O no hydrogen 2.875 N/A ASP 109.A N PHE 239.A O no hydrogen 3.094 N/A LYS 110.A NZ THR 59.A O no hydrogen 2.740 N/A LYS 110.A NZ LEU 70.A O no hydrogen 2.985 N/A MET 113.A N ASP 235.A O no hydrogen 3.093 N/A TYR 117.A OH PRO 234.A O no hydrogen 3.057 N/A ARG 121.A N LEU 144.A O no hydrogen 3.251 N/A ARG 121.A NE SER 145.A O no hydrogen 2.479 N/A THR 122.A OG1 TRP 142.A O no hydrogen 3.444 N/A THR 126.A N SER 135.A O no hydrogen 3.147 N/A ARG 131.A NH2 GLY 62.A O no hydrogen 3.342 N/A SER 135.A N CYS 129.A O no hydrogen 3.315 N/A SER 135.A OG PHE 136.A O no hydrogen 3.402 N/A LYS 141.A NZ ASP 235.A OD2 no hydrogen 2.595 N/A TRP 142.A NE1 TYR 186.A OH no hydrogen 2.445 N/A LEU 144.A N ARG 121.A O no hydrogen 3.227 N/A SER 145.A OG ALA 151.A O no hydrogen 3.360 N/A SER 145.A OG LEU 185.A O no hydrogen 3.344 N/A ALA 150.A N ASN 149.A OD1 no hydrogen 2.713 N/A TYR 159.A N VAL 223.A O no hydrogen 3.319 N/A ASN 161.A ND2 LEU 217.A O no hydrogen 2.971 N/A ASN 161.A ND2 ASN 218.A O no hydrogen 3.063 N/A ALA 167.A N LEU 217.A O no hydrogen 3.023 N/A GLY 172.A N ILE 232.A O no hydrogen 3.187 N/A ILE 173.A N ASP 211.A O no hydrogen 3.002 N/A HIS 174.A NE2 TYR 88.A OH no hydrogen 2.665 N/A HIS 175.A NE2 ASP 211.A OD2 no hydrogen 2.407 N/A SER 176.A OG SER 178.A O no hydrogen 2.550 N/A THR 179.A N SER 178.A OG no hydrogen 2.615 N/A THR 183.A N THR 179.A O no hydrogen 3.161 N/A THR 183.A OG1 THR 179.A O no hydrogen 2.667 N/A THR 183.A OG1 ALA 180.A O no hydrogen 3.365 N/A LEU 185.A N GLU 181.A O no hydrogen 2.943 N/A TYR 186.A N GLN 182.A O no hydrogen 3.195 N/A SER 188.A OG GLY 187.A O no hydrogen 2.754 N/A LYS 191.A NZ TYR 186.A O no hydrogen 3.539 N/A VAL 193.A N PHE 204.A O no hydrogen 3.023 N/A THR 194.A N SER 226.A O no hydrogen 2.762 N/A VAL 195.A N GLN 202.A O no hydrogen 2.995 N/A GLY 196.A N THR 224.A O no hydrogen 2.553 N/A SER 197.A N TYR 200.A O no hydrogen 2.523 N/A SER 197.A OG ASN 199.A OD1 no hydrogen 2.991 N/A SER 197.A OG ASP 221.A OD2 no hydrogen 3.332 N/A SER 198.A OG ASP 221.A OD1 no hydrogen 2.426 N/A SER 198.A OG ASP 221.A OD2 no hydrogen 3.319 N/A GLN 202.A N VAL 195.A O no hydrogen 3.196 N/A GLN 202.A N GLN 201.A OE1 no hydrogen 3.015 N/A PHE 204.A N VAL 193.A O no hydrogen 2.805 N/A SER 207.A N HIS 175.A ND1 no hydrogen 3.131 N/A ARG 209.A N PRO 89.A O no hydrogen 2.424 N/A ASP 211.A N ILE 173.A O no hydrogen 3.135 N/A HIS 213.A N TRP 171.A O no hydrogen 3.035 N/A ASP 221.A N ASN 218.A O no hydrogen 3.305 N/A THR 222.A N ASP 221.A OD1 no hydrogen 2.666 N/A THR 224.A N GLY 196.A O no hydrogen 2.508 N/A THR 224.A OG1 GLY 196.A O no hydrogen 3.479 N/A PHE 225.A N LYS 157.A O no hydrogen 2.926 N/A ASN 228.A N LEU 192.A O no hydrogen 3.111 N/A ILE 232.A N GLY 172.A O no hydrogen 2.487 N/A ASP 235.A N GLU 139.A O no hydrogen 2.870 N/A ARG 236.A NH1 GLU 139.A OE2 no hydrogen 3.129 N/A ALA 237.A N GLU 111.A O no hydrogen 2.978 N/A SER 238.A OG LEU 168.A O no hydrogen 3.162 N/A PHE 239.A N ASP 109.A O no hydrogen 2.508 N/A ARG 241.A N SER 105.A O no hydrogen 3.035 N/A GLY 242.A N SER 105.A O no hydrogen 2.699 N/A SER 244.A OG ARG 103.A O no hydrogen 2.358 N/A ILE 247.A N ILE 77.A O no hydrogen 3.236 N/A GLN 248.A NE2 ASN 372.A OD1 no hydrogen 2.854 N/A GLN 252.A N GLN 252.A OE1 no hydrogen 2.840 N/A ASP 254.A N ILE 41.A O no hydrogen 3.376 N/A GLU 258.A N GLU 258.A OE1 no hydrogen 2.762 N/A CYS 261.A SG TYR 262.A O no hydrogen 3.338 N/A TYR 262.A N VAL 282.A O no hydrogen 3.176 N/A TYR 262.A OH CYS 42.A O no hydrogen 3.238 N/A TYR 262.A OH GLY 259.A O no hydrogen 3.410 N/A TYR 263.A N GLY 266.A O no hydrogen 2.982 N/A SER 264.A OG GLN 248.A O no hydrogen 3.251 N/A THR 267.A N ILE 38.A O no hydrogen 3.385 N/A THR 267.A OG1 ARG 40.A O no hydrogen 2.839 N/A ILE 268.A N CYS 261.A O no hydrogen 3.207 N/A PHE 274.A N THR 32.A O no hydrogen 3.085 N/A GLN 275.A N ARG 287.A O no hydrogen 3.212 N/A GLN 275.A NE2 ASP 278.A O no hydrogen 2.605 N/A ASN 276.A ND2 ARG 292.A O no hydrogen 3.524 N/A ILE 277.A N GLN 275.A OE1 no hydrogen 2.676 N/A ASP 278.A N GLN 275.A OE1 no hydrogen 3.191 N/A ARG 280.A NE ASP 371.A OD2 no hydrogen 3.276 N/A ARG 287.A N PRO 273.A O no hydrogen 2.828 N/A VAL 289.A N GLN 275.A O no hydrogen 3.372 N/A LYS 290.A NZ GLU 394.A OE2 no hydrogen 2.402 N/A THR 298.A OG1 LEU 296.A O no hydrogen 3.460 N/A GLY 299.A N ASN 28.A O no hydrogen 3.178 N/A ASN 302.A N GLU 25.A O no hydrogen 2.898 N/A ASN 302.A ND2 VAL 10.A O no hydrogen 3.445 N/A ASN 302.A ND2 VAL 26.A O no hydrogen 3.538 N/A GLU 305.A N GLU 305.A OE1 no hydrogen 2.841 N/A LEU 321.A N TRP 318.A O no hydrogen 3.490 N/A TYR 326.A OH SER 344.A OG no hydrogen 2.511 N/A HIS 330.A N GLY 337.A O no hydrogen 2.896 N/A GLN 331.A NE2 GLU 336.A OE2 no hydrogen 3.503 N/A ASN 332.A N GLY 335.A O no hydrogen 3.059 N/A ASN 332.A ND2 ASP 450.A OD1 no hydrogen 2.398 N/A ALA 339.A N PHE 328.A O no hydrogen 2.934 N/A SER 344.A OG TYR 326.A OH no hydrogen 2.511 N/A THR 345.A N ASP 341.A O no hydrogen 2.957 N/A THR 345.A OG1 TYR 326.A O no hydrogen 3.016 N/A THR 345.A OG1 ASP 341.A O no hydrogen 2.369 N/A GLN 346.A N TYR 342.A O no hydrogen 2.832 N/A SER 347.A N LYS 343.A O no hydrogen 3.004 N/A SER 347.A OG SER 344.A O no hydrogen 2.635 N/A ALA 348.A N SER 344.A O no hydrogen 2.903 N/A ILE 349.A N THR 345.A O no hydrogen 2.938 N/A ASP 350.A N GLN 346.A O no hydrogen 2.866 N/A CYS 351.A N SER 347.A O no hydrogen 2.953 N/A CYS 351.A SG SER 347.A O no hydrogen 3.280 N/A ILE 352.A N ALA 348.A O no hydrogen 2.965 N/A THR 353.A N ILE 349.A O no hydrogen 2.872 N/A THR 353.A OG1 ILE 349.A O no hydrogen 2.796 N/A THR 353.A OG1 ASP 350.A O no hydrogen 2.846 N/A GLY 354.A N ASP 350.A O no hydrogen 2.943 N/A LYS 355.A N CYS 351.A O no hydrogen 2.892 N/A LYS 355.A NZ GLU 407.A O no hydrogen 2.929 N/A LYS 355.A NZ HIS 410.A ND1 no hydrogen 3.172 N/A LEU 356.A N ILE 352.A O no hydrogen 2.903 N/A ASN 357.A N THR 353.A O no hydrogen 2.921 N/A ARG 358.A N GLY 354.A O no hydrogen 2.918 N/A LEU 359.A N LYS 355.A O no hydrogen 2.927 N/A ILE 360.A N LEU 356.A O no hydrogen 2.875 N/A LYS 362.A NZ ASP 260.A OD2 no hydrogen 2.748 N/A GLN 365.A N THR 363.A OG1 no hydrogen 3.380 N/A GLN 366.A NE2 SER 244.A O no hydrogen 3.564 N/A GLU 373.A N GLN 248.A OE1 no hydrogen 3.349 N/A GLN 380.A N GLU 378.A OE1 no hydrogen 3.331 N/A ILE 381.A N GLU 378.A OE2 no hydrogen 3.215 N/A GLY 382.A N GLU 378.A O no hydrogen 2.924 N/A ASN 383.A N LYS 379.A O no hydrogen 2.844 N/A VAL 384.A N GLN 380.A O no hydrogen 2.959 N/A ILE 385.A N ILE 381.A O no hydrogen 2.847 N/A ASN 386.A N GLY 382.A O no hydrogen 2.892 N/A TRP 387.A N ASN 383.A O no hydrogen 2.889 N/A THR 388.A N VAL 384.A O no hydrogen 2.915 N/A THR 388.A OG1 VAL 384.A O no hydrogen 2.533 N/A ARG 389.A N ILE 385.A O no hydrogen 2.857 N/A ARG 389.A NH1 ASN 386.A OD1 no hydrogen 3.325 N/A ASP 390.A N ASN 386.A O no hydrogen 2.896 N/A SER 391.A N TRP 387.A O no hydrogen 2.918 N/A SER 391.A OG TRP 387.A O no hydrogen 2.897 N/A ILE 392.A N THR 388.A O no hydrogen 2.921 N/A THR 393.A N ARG 389.A O no hydrogen 2.835 N/A THR 393.A OG1 ARG 389.A O no hydrogen 2.791 N/A GLU 394.A N ASP 390.A O no hydrogen 2.885 N/A VAL 395.A N SER 391.A O no hydrogen 2.937 N/A TRP 396.A N ILE 392.A O no hydrogen 2.901 N/A SER 397.A N THR 393.A O no hydrogen 2.867 N/A SER 397.A OG GLN 291.A OE1 no hydrogen 2.539 N/A TYR 398.A N GLU 394.A O no hydrogen 2.924 N/A ASN 399.A N VAL 395.A O no hydrogen 2.881 N/A ALA 400.A N TRP 396.A O no hydrogen 2.850 N/A GLU 401.A N SER 397.A O no hydrogen 2.913 N/A LEU 402.A N TYR 398.A O no hydrogen 2.951 N/A LEU 403.A N ASN 399.A O no hydrogen 2.851 N/A VAL 404.A N ALA 400.A O no hydrogen 2.916 N/A ALA 405.A N GLU 401.A O no hydrogen 2.964 N/A MET 406.A N LEU 402.A O no hydrogen 2.898 N/A GLU 407.A N LEU 403.A O no hydrogen 2.903 N/A ASN 408.A N VAL 404.A O no hydrogen 2.956 N/A GLN 409.A N ALA 405.A O no hydrogen 2.994 N/A HIS 410.A N MET 406.A O no hydrogen 2.791 N/A THR 411.A N GLU 407.A O no hydrogen 2.907 N/A THR 411.A OG1 ALA 297.A O no hydrogen 3.356 N/A THR 411.A OG1 GLU 407.A O no hydrogen 2.921 N/A THR 411.A OG1 ASN 408.A O no hydrogen 2.510 N/A ILE 412.A N ASN 408.A O no hydrogen 3.030 N/A ASP 413.A N GLN 409.A O no hydrogen 2.913 N/A LEU 414.A N HIS 410.A O no hydrogen 2.831 N/A ALA 415.A N ILE 412.A O no hydrogen 3.129 N/A ASP 416.A N ILE 412.A O no hydrogen 2.934 N/A ASP 416.A N ASP 413.A O no hydrogen 3.223 N/A SER 417.A N ASP 413.A O no hydrogen 2.899 N/A SER 417.A OG ASP 413.A O no hydrogen 3.243 N/A SER 417.A OG GLU 418.A OE2 no hydrogen 3.238 N/A GLU 418.A N GLU 418.A OE2 no hydrogen 2.732 N/A ASP 420.A N ASP 416.A O no hydrogen 2.959 N/A LYS 421.A N SER 417.A O no hydrogen 2.924 N/A LEU 422.A N GLU 418.A O no hydrogen 2.816 N/A TYR 423.A N MET 419.A O no hydrogen 2.914 N/A TYR 423.A OH GLU 436.A OE1 no hydrogen 2.495 N/A TYR 423.A OH GLU 436.A OE2 no hydrogen 3.092 N/A GLU 424.A N ASP 420.A O no hydrogen 2.947 N/A ARG 425.A N LYS 421.A O no hydrogen 2.895 N/A VAL 426.A N LEU 422.A O no hydrogen 2.939 N/A LYS 427.A N TYR 423.A O no hydrogen 2.940 N/A ARG 428.A N GLU 424.A O no hydrogen 2.908 N/A ARG 428.A NH1 GLU 424.A OE2 no hydrogen 3.299 N/A GLN 429.A N ARG 425.A O no hydrogen 2.871 N/A LEU 430.A N VAL 426.A O no hydrogen 2.931 N/A ARG 431.A N LYS 427.A O no hydrogen 2.899 N/A ARG 431.A NH1 HIS 463.A NE2 no hydrogen 3.103 N/A ASN 433.A N LEU 430.A O no hydrogen 3.176 N/A ASN 433.A ND2 HIS 463.A O no hydrogen 3.417 N/A GLY 438.A N ASP 437.A OD1 no hydrogen 2.924 N/A THR 439.A OG1 THR 439.A O no hydrogen 2.455 N/A PHE 442.A N ILE 3.A O no hydrogen 2.795 N/A ILE 444.A N ASP 1.A O no hydrogen 3.116 N/A PHE 445.A N ASN 433.A O no hydrogen 3.210 N/A HIS 446.A ND1 LYS 447.A O no hydrogen 2.896 N/A LYS 447.A NZ ASP 1.A OD1 no hydrogen 3.240 N/A ASP 449.A N ASP 449.A OD1 no hydrogen 2.689 N/A ASP 451.A N ASP 449.A OD2 no hydrogen 3.425 N/A MET 453.A N ASP 449.A O no hydrogen 2.880 N/A ALA 454.A N ASP 450.A O no hydrogen 2.935 N/A SER 455.A N ASP 451.A O no hydrogen 2.864 N/A SER 455.A OG CYS 452.A O no hydrogen 2.755 N/A ILE 456.A N CYS 452.A O no hydrogen 2.972 N/A ARG 457.A N MET 453.A O no hydrogen 2.893 N/A ASN 458.A N ALA 454.A O no hydrogen 2.933 N/A ASN 459.A N ILE 456.A O no hydrogen 3.288 N/A THR 460.A N SER 455.A O no hydrogen 2.991 N/A THR 460.A OG1 SER 455.A O no hydrogen 3.469 N/A THR 460.A OG1 ASN 458.A O no hydrogen 3.553 N/A THR 460.A OG1 ASN 458.A OD1 no hydrogen 2.743 N/A TYR 461.A N GLN 429.A OE1 no hydrogen 3.043 N/A SER 464.A OG ASP 462.A OD1 no hydrogen 3.064 N/A SER 464.A OG ASP 462.A OD2 no hydrogen 3.261 N/A TYR 466.A N HIS 463.A O no hydrogen 3.315 N/A ARG 467.A NH2 HIS 463.A NE2 no hydrogen 3.089 N/A ALA 470.A N TYR 466.A O no hydrogen 2.912 N/A ASN 473.A ND2 PHE 445.A O no hydrogen 3.098 N/A