Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8xs5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N LEU 1.A O no hydrogen 2.973 N/A TYR 6.A N ASP 2.A O no hydrogen 2.903 N/A LEU 7.A N SER 3.A O no hydrogen 2.913 N/A ARG 8.A N VAL 4.A O no hydrogen 2.951 N/A TRP 11.A N LEU 7.A O no hydrogen 2.904 N/A LEU 12.A N ARG 8.A O no hydrogen 2.895 N/A LYS 15.A N TRP 11.A O no hydrogen 2.959 N/A ILE 16.A N LEU 12.A O no hydrogen 2.962 N/A PHE 17.A N GLY 13.A O no hydrogen 2.960 N/A THR 18.A N LEU 14.A O no hydrogen 2.881 N/A ALA 21.A N PHE 17.A O no hydrogen 3.403 N/A LEU 23.A N PRO 19.A O no hydrogen 2.913 N/A ALA 24.A N ILE 20.A O no hydrogen 2.907 N/A TRP 25.A N ALA 21.A O no hydrogen 2.875 N/A VAL 27.A N ALA 24.A O no hydrogen 2.995 N/A THR 35.A N MET 31.A O no hydrogen 3.443 N/A THR 35.A OG1 MET 31.A O no hydrogen 2.224 N/A HIS 36.A N ARG 32.A O no hydrogen 2.962 N/A HIS 36.A ND1 ARG 32.A O no hydrogen 2.282 N/A ILE 37.A N PHE 33.A O no hydrogen 2.885 N/A VAL 38.A N TRP 34.A O no hydrogen 2.927 N/A MET 39.A N THR 35.A O no hydrogen 2.912 N/A ALA 40.A N HIS 36.A O no hydrogen 2.943 N/A TYR 41.A N ILE 37.A O no hydrogen 2.899 N/A ALA 42.A N VAL 38.A O no hydrogen 2.892 N/A PHE 43.A N MET 39.A O no hydrogen 2.941 N/A THR 44.A N ALA 40.A O no hydrogen 2.922 N/A ILE 45.A N TYR 41.A O no hydrogen 2.929 N/A TRP 46.A N ALA 42.A O no hydrogen 2.921 N/A THR 47.A N PHE 43.A O no hydrogen 2.919 N/A THR 47.A OG1 PHE 43.A O no hydrogen 3.222 N/A THR 47.A OG1 THR 44.A O no hydrogen 2.480 N/A CYS 48.A N THR 44.A O no hydrogen 2.899 N/A CYS 48.A SG THR 44.A O no hydrogen 3.279 N/A TYR 49.A N ILE 45.A O no hydrogen 2.903 N/A VAL 50.A N TRP 46.A O no hydrogen 2.918 N/A LEU 51.A N THR 47.A O no hydrogen 2.904 N/A MET 52.A N CYS 48.A O no hydrogen 2.934 N/A LYS 53.A N TYR 49.A O no hydrogen 2.953 N/A GLU 54.A N VAL 50.A O no hydrogen 2.921 N/A TYR 55.A N LEU 51.A O no hydrogen 2.858 N/A GLU 56.A N MET 52.A O no hydrogen 2.940 N/A THR 57.A N LYS 53.A O no hydrogen 3.030 N/A THR 57.A OG1 LYS 53.A O no hydrogen 3.394 N/A THR 57.A OG1 GLU 54.A O no hydrogen 2.243 N/A ILE 58.A N GLU 54.A O no hydrogen 2.894 N/A ALA 59.A N TYR 55.A O no hydrogen 2.935 N/A ASN 60.A N GLU 56.A O no hydrogen 2.963 N/A MET 61.A N THR 57.A O no hydrogen 2.901 N/A ARG 62.A N ILE 58.A O no hydrogen 2.870 N/A ARG 62.A NH1 ARG 62.A O no hydrogen 3.448 N/A LEU 63.A N ALA 59.A O no hydrogen 2.938 N/A GLN 64.A N ASN 60.A O no hydrogen 2.973 N/A GLN 64.A NE2 ASN 60.A O no hydrogen 2.606 N/A PHE 65.A N ARG 62.A O no hydrogen 3.070 N/A ARG 72.A N GLN 75.A OE1 no hydrogen 3.045 N/A ARG 72.A NH1 GLU 229.A OE2 no hydrogen 2.081 N/A GLN 75.A N ARG 72.A O no hydrogen 3.051 N/A VAL 78.A N VAL 199.A O no hydrogen 2.934 N/A LEU 79.A N GLU 225.A O no hydrogen 2.658 N/A ARG 81.A N LEU 223.A O no hydrogen 3.033 N/A ARG 81.A NE LEU 238.A O no hydrogen 3.263 N/A ASP 88.A N ASP 86.A OD2 no hydrogen 2.638 N/A SER 90.A N GLU 93.A OE1 no hydrogen 2.489 N/A SER 90.A OG GLU 93.A OE1 no hydrogen 2.581 N/A SER 92.A OG HIS 110.A NE2 no hydrogen 2.754 N/A LEU 94.A N SER 90.A O no hydrogen 3.071 N/A VAL 95.A N VAL 91.A O no hydrogen 2.928 N/A GLU 96.A N SER 92.A O no hydrogen 2.937 N/A HIS 97.A N GLU 93.A O no hydrogen 2.903 N/A PHE 98.A N LEU 94.A O no hydrogen 2.941 N/A PHE 99.A N VAL 95.A O no hydrogen 2.964 N/A LEU 100.A N GLU 96.A O no hydrogen 2.904 N/A LEU 100.A N HIS 97.A O no hydrogen 3.303 N/A VAL 101.A N HIS 97.A O no hydrogen 2.973 N/A ASN 102.A N PHE 98.A O no hydrogen 2.906 N/A ASN 102.A ND2 PHE 98.A O no hydrogen 3.408 N/A TYR 107.A OH HIS 110.A ND1 no hydrogen 3.200 N/A LEU 108.A N SER 200.A O no hydrogen 2.799 N/A THR 109.A N SER 200.A O no hydrogen 3.249 N/A HIS 110.A NE2 SER 92.A OG no hydrogen 2.754 N/A GLN 111.A N PHE 198.A O no hydrogen 2.841 N/A VAL 113.A N ALA 196.A O no hydrogen 3.457 N/A ALA 116.A N CYS 114.A O no hydrogen 2.378 N/A LYS 118.A N ASN 117.A OD1 no hydrogen 2.359 N/A ALA 120.A N ALA 116.A O no hydrogen 2.155 N/A ASP 121.A N ASN 117.A O no hydrogen 2.928 N/A LEU 122.A N LYS 118.A O no hydrogen 2.840 N/A VAL 123.A N LEU 119.A O no hydrogen 2.940 N/A LYS 124.A N ALA 120.A O no hydrogen 2.858 N/A LYS 125.A N ASP 121.A O no hydrogen 2.936 N/A LYS 126.A N LEU 122.A O no hydrogen 2.858 N/A LYS 127.A N VAL 123.A O no hydrogen 2.961 N/A LYS 128.A N LYS 124.A O no hydrogen 2.915 N/A LEU 129.A N LYS 125.A O no hydrogen 2.810 N/A GLN 130.A N LYS 126.A O no hydrogen 3.003 N/A GLN 130.A NE2 LYS 127.A O no hydrogen 2.849 N/A ASN 131.A N LYS 127.A O no hydrogen 3.008 N/A TRP 132.A N LYS 128.A O no hydrogen 2.807 N/A LEU 133.A N LEU 129.A O no hydrogen 2.858 N/A ASP 134.A N GLN 130.A O no hydrogen 2.975 N/A TYR 135.A N ASN 131.A O no hydrogen 2.966 N/A TYR 136.A N TRP 132.A O no hydrogen 2.887 N/A GLN 137.A N LEU 133.A O no hydrogen 2.895 N/A LEU 138.A N ASP 134.A O no hydrogen 3.007 N/A LYS 139.A N TYR 135.A O no hydrogen 2.833 N/A TYR 140.A N TYR 136.A O no hydrogen 2.862 N/A ALA 141.A N GLN 137.A O no hydrogen 2.933 N/A ARG 142.A N LEU 138.A O no hydrogen 2.917 N/A ASN 143.A N LYS 139.A O no hydrogen 2.273 N/A LYS 151.A N MET 149.A O no hydrogen 3.043 N/A PHE 154.A N LEU 152.A O no hydrogen 2.702 N/A GLY 159.A N LEU 157.A O no hydrogen 2.945 N/A GLU 166.A N ASP 163.A OD2 no hydrogen 3.177 N/A ILE 169.A N ILE 165.A O no hydrogen 2.892 N/A ALA 170.A N GLU 166.A O no hydrogen 2.896 N/A GLU 171.A N HIS 167.A O no hydrogen 2.908 N/A ILE 172.A N TYR 168.A O no hydrogen 2.862 N/A ASP 173.A N ILE 169.A O no hydrogen 2.895 N/A LYS 174.A N ALA 170.A O no hydrogen 2.909 N/A ILE 175.A N GLU 171.A O no hydrogen 2.855 N/A SER 176.A N ILE 172.A O no hydrogen 2.891 N/A GLU 178.A N LYS 174.A O no hydrogen 2.917 N/A ILE 179.A N ILE 175.A O no hydrogen 2.801 N/A SER 180.A N SER 176.A O no hydrogen 2.923 N/A SER 180.A OG SER 176.A O no hydrogen 3.117 N/A LYS 181.A N LYS 177.A O no hydrogen 2.894 N/A GLU 182.A N GLU 178.A O no hydrogen 2.907 N/A ARG 183.A N ILE 179.A O no hydrogen 2.807 N/A GLU 184.A N SER 180.A O no hydrogen 2.945 N/A GLU 185.A N LYS 181.A O no hydrogen 2.875 N/A VAL 186.A N GLU 182.A O no hydrogen 2.885 N/A ASN 188.A N GLU 185.A O no hydrogen 2.958 N/A LYS 191.A N ASP 189.A OD2 no hydrogen 2.880 N/A LYS 191.A NZ ASP 189.A OD1 no hydrogen 3.280 N/A ALA 196.A N MET 194.A O no hydrogen 3.028 N/A ALA 197.A N VAL 80.A O no hydrogen 2.906 N/A PHE 198.A N GLN 111.A O no hydrogen 3.305 N/A VAL 199.A N VAL 78.A O no hydrogen 2.982 N/A SER 200.A N THR 109.A O no hydrogen 2.740 N/A PHE 201.A N PHE 76.A O no hydrogen 3.011 N/A LYS 202.A N HIS 106.A O no hydrogen 2.621 N/A ARG 204.A N ASP 428.A OD1 no hydrogen 3.346 N/A TRP 205.A N ASP 428.A OD2 no hydrogen 3.443 N/A ALA 206.A N THR 203.A OG1 no hydrogen 2.979 N/A ALA 207.A N THR 203.A O no hydrogen 3.390 N/A ALA 208.A N ARG 204.A O no hydrogen 2.909 N/A VAL 209.A N TRP 205.A O no hydrogen 2.946 N/A CYS 210.A N ALA 206.A O no hydrogen 2.883 N/A CYS 210.A SG HIS 103.A NE2 no hydrogen 3.886 N/A CYS 210.A SG GLN 215.A OE1 no hydrogen 3.856 N/A ALA 211.A N ALA 208.A O no hydrogen 3.129 N/A GLN 212.A N ALA 208.A O no hydrogen 3.292 N/A GLN 212.A NE2 ALA 208.A O no hydrogen 3.282 N/A THR 213.A OG1 VAL 209.A O no hydrogen 2.761 N/A THR 213.A OG1 GLN 215.A OE1 no hydrogen 3.182 N/A GLN 215.A NE2 HIS 103.A NE2 no hydrogen 3.059 N/A THR 220.A N ASN 218.A OD1 no hydrogen 3.275 N/A GLN 221.A N ASN 218.A O no hydrogen 3.031 N/A LEU 223.A N ARG 81.A O no hydrogen 2.864 N/A THR 224.A OG1 CYS 210.A O no hydrogen 3.041 N/A ASP 232.A N GLU 229.A O no hydrogen 2.649 N/A VAL 233.A N GLU 229.A O no hydrogen 2.970 N/A PHE 234.A N THR 305.A O no hydrogen 2.505 N/A ASN 237.A N PHE 234.A O no hydrogen 3.306 N/A ASN 237.A ND2 GLU 302.A O no hydrogen 3.074 N/A ILE 240.A N ASN 237.A O no hydrogen 3.434 N/A SER 244.A OG THR 246.A OG1 no hydrogen 2.642 N/A THR 246.A OG1 SER 244.A OG no hydrogen 2.642 N/A ARG 248.A N SER 244.A O no hydrogen 2.922 N/A ARG 248.A NH1 GLU 302.A OE1 no hydrogen 3.045 N/A ARG 249.A N LEU 245.A O no hydrogen 2.823 N/A ARG 249.A N THR 246.A O no hydrogen 3.237 N/A ARG 249.A NH1 GLY 303.A O no hydrogen 3.239 N/A ARG 249.A NH2 GLY 303.A O no hydrogen 3.435 N/A LEU 250.A N THR 246.A O no hydrogen 2.966 N/A ILE 251.A N VAL 247.A O no hydrogen 2.936 N/A MET 252.A N ARG 248.A O no hydrogen 3.367 N/A HIS 253.A N ARG 249.A O no hydrogen 2.978 N/A VAL 254.A N LEU 250.A O no hydrogen 2.984 N/A ALA 255.A N ILE 251.A O no hydrogen 2.864 N/A PHE 256.A N MET 252.A O no hydrogen 2.910 N/A PHE 257.A N HIS 253.A O no hydrogen 2.938 N/A PHE 258.A N VAL 254.A O no hydrogen 2.972 N/A LEU 259.A N ALA 255.A O no hydrogen 2.904 N/A THR 260.A N PHE 256.A O no hydrogen 2.948 N/A PHE 261.A N PHE 257.A O no hydrogen 2.903 N/A PHE 262.A N PHE 258.A O no hydrogen 2.858 N/A PHE 263.A N LEU 259.A O no hydrogen 2.968 N/A ILE 264.A N THR 260.A O no hydrogen 2.946 N/A VAL 265.A N PHE 262.A O no hydrogen 2.997 N/A ALA 268.A N ILE 264.A O no hydrogen 2.921 N/A PHE 269.A N VAL 265.A O no hydrogen 2.905 N/A VAL 270.A N PRO 266.A O no hydrogen 2.910 N/A GLN 271.A N ILE 267.A O no hydrogen 2.902 N/A SER 272.A N ALA 268.A O no hydrogen 2.882 N/A LEU 273.A N PHE 269.A O no hydrogen 2.894 N/A ALA 274.A N VAL 270.A O no hydrogen 2.860 N/A GLY 281.A N PHE 278.A O no hydrogen 3.167 N/A ALA 283.A N LEU 279.A O no hydrogen 2.892 N/A LEU 284.A N PRO 280.A O no hydrogen 2.885 N/A LYS 285.A N GLY 281.A O no hydrogen 2.931 N/A LEU 286.A N ILE 282.A O no hydrogen 2.883 N/A PHE 287.A N ALA 283.A O no hydrogen 2.907 N/A SER 293.A N PHE 290.A O no hydrogen 2.378 N/A ILE 294.A N PHE 290.A O no hydrogen 3.363 N/A LEU 295.A N LEU 291.A O no hydrogen 2.881 N/A MET 296.A N PRO 292.A O no hydrogen 2.967 N/A ILE 297.A N SER 293.A O no hydrogen 2.868 N/A MET 298.A N ILE 294.A O no hydrogen 2.813 N/A SER 299.A N LEU 295.A O no hydrogen 2.938 N/A LYS 300.A N MET 296.A O no hydrogen 2.889 N/A PHE 301.A N ILE 297.A O no hydrogen 2.835 N/A GLU 302.A N SER 299.A O no hydrogen 2.672 N/A THR 305.A OG1 GLU 225.A OE2 no hydrogen 3.380 N/A THR 305.A OG1 PHE 304.A O no hydrogen 2.285 N/A SER 306.A OG PHE 304.A O no hydrogen 3.532 N/A SER 306.A OG SER 309.A OG no hydrogen 2.664 N/A ILE 307.A N ASP 232.A O no hydrogen 2.881 N/A SER 308.A N ASP 232.A OD1 no hydrogen 3.074 N/A SER 309.A OG SER 306.A OG no hydrogen 2.664 N/A LEU 310.A N SER 306.A O no hydrogen 3.063 N/A GLU 311.A N ILE 307.A O no hydrogen 2.912 N/A ARG 312.A N SER 308.A O no hydrogen 2.906 N/A ARG 312.A NH1 ASP 362.A OD1 no hydrogen 2.772 N/A ARG 313.A N SER 309.A O no hydrogen 2.901 N/A ALA 314.A N LEU 310.A O no hydrogen 2.937 N/A ALA 315.A N GLU 311.A O no hydrogen 2.861 N/A PHE 316.A N ARG 312.A O no hydrogen 2.897 N/A ARG 317.A N ARG 313.A O no hydrogen 2.988 N/A TYR 318.A N ALA 314.A O no hydrogen 2.896 N/A TYR 319.A N ALA 315.A O no hydrogen 2.813 N/A ILE 320.A N PHE 316.A O no hydrogen 2.970 N/A PHE 321.A N ARG 317.A O no hydrogen 2.974 N/A ASN 322.A N TYR 318.A O no hydrogen 2.873 N/A LEU 323.A N TYR 319.A O no hydrogen 2.901 N/A VAL 324.A N ILE 320.A O no hydrogen 2.941 N/A ASN 325.A N PHE 321.A O no hydrogen 2.982 N/A ASN 325.A ND2 PHE 321.A O no hydrogen 3.154 N/A LEU 328.A N VAL 324.A O no hydrogen 2.922 N/A VAL 331.A N PHE 327.A O no hydrogen 2.903 N/A ILE 332.A N LEU 328.A O no hydrogen 2.947 N/A ALA 333.A N ALA 329.A O no hydrogen 2.912 N/A GLY 334.A N SER 330.A O no hydrogen 2.908 N/A ALA 335.A N VAL 331.A O no hydrogen 2.890 N/A ALA 336.A N ILE 332.A O no hydrogen 2.918 N/A PHE 337.A N ALA 333.A O no hydrogen 2.892 N/A GLU 338.A N GLY 334.A O no hydrogen 2.916 N/A GLN 339.A N ALA 336.A O no hydrogen 3.216 N/A ILE 346.A N GLY 342.A O no hydrogen 2.895 N/A GLN 347.A N GLU 343.A O no hydrogen 2.936 N/A GLN 347.A NE2 GLU 343.A OE2 no hydrogen 2.985 N/A LEU 348.A N PRO 344.A O no hydrogen 2.935 N/A TYR 349.A N ARG 345.A O no hydrogen 2.911 N/A PHE 350.A N ILE 346.A O no hydrogen 2.898 N/A LEU 351.A N GLN 347.A O no hydrogen 2.949 N/A LEU 352.A N LEU 348.A O no hydrogen 2.908 N/A GLY 353.A N TYR 349.A O no hydrogen 2.901 N/A LEU 354.A N PHE 350.A O no hydrogen 3.147 N/A VAL 355.A N LEU 352.A O no hydrogen 3.227 N/A ALA 357.A N LEU 354.A O no hydrogen 3.226 N/A VAL 363.A N PHE 359.A O no hydrogen 2.984 N/A HIS 364.A N TRP 360.A O no hydrogen 2.831 N/A HIS 364.A NE2 HIS 405.A ND1 no hydrogen 3.067 N/A GLY 365.A N PRO 361.A O no hydrogen 2.905 N/A ARG 366.A N ASP 362.A O no hydrogen 2.946 N/A VAL 367.A N VAL 363.A O no hydrogen 2.931 N/A ILE 368.A N HIS 364.A O no hydrogen 2.945 N/A ALA 369.A N GLY 365.A O no hydrogen 2.874 N/A ALA 370.A N ARG 366.A O no hydrogen 2.904 N/A LEU 371.A N VAL 367.A O no hydrogen 2.983 N/A VAL 372.A N ILE 368.A O no hydrogen 2.937 N/A ILE 373.A N ALA 369.A O no hydrogen 2.913 N/A SER 374.A N ALA 370.A O no hydrogen 2.933 N/A GLN 375.A N LEU 371.A O no hydrogen 2.941 N/A LEU 376.A N VAL 372.A O no hydrogen 2.903 N/A LEU 377.A N ILE 373.A O no hydrogen 2.941 N/A LEU 378.A N SER 374.A O no hydrogen 2.951 N/A MET 379.A N GLN 375.A O no hydrogen 2.884 N/A GLY 380.A N LEU 376.A O no hydrogen 2.940 N/A LEU 381.A N LEU 377.A O no hydrogen 2.903 N/A LEU 382.A N LEU 378.A O no hydrogen 2.906 N/A GLY 383.A N MET 379.A O no hydrogen 2.915 N/A PHE 393.A N ALA 390.A O no hydrogen 3.207 N/A LEU 394.A N ALA 390.A O no hydrogen 2.786 N/A LEU 394.A N ALA 391.A O no hydrogen 2.909 N/A ILE 395.A N ALA 391.A O no hydrogen 2.867 N/A LEU 400.A N ALA 396.A O no hydrogen 2.598 N/A THR 401.A N LEU 397.A O no hydrogen 2.943 N/A THR 401.A OG1 LEU 397.A O no hydrogen 3.370 N/A THR 401.A OG1 PRO 398.A O no hydrogen 2.582 N/A ILE 402.A N PRO 398.A O no hydrogen 2.903 N/A GLY 403.A N VAL 399.A O no hydrogen 2.873 N/A PHE 404.A N LEU 400.A O no hydrogen 2.909 N/A HIS 405.A N THR 401.A O no hydrogen 2.848 N/A HIS 405.A ND1 HIS 364.A NE2 no hydrogen 3.067 N/A HIS 406.A N ILE 402.A O no hydrogen 2.909 N/A PHE 407.A N GLY 403.A O no hydrogen 2.911 N/A CYS 408.A N PHE 404.A O no hydrogen 2.897 N/A CYS 408.A SG PHE 404.A O no hydrogen 3.644 N/A LYS 409.A N HIS 405.A O no hydrogen 2.828 N/A LYS 409.A NZ GLU 413.A OE2 no hydrogen 2.937 N/A GLY 410.A N HIS 406.A O no hydrogen 2.966 N/A ARG 411.A N CYS 408.A O no hydrogen 3.240 N/A ARG 411.A NH1 ARG 411.A O no hydrogen 2.973 N/A TYR 412.A N CYS 408.A O no hydrogen 2.873 N/A TYR 412.A N LYS 409.A O no hydrogen 3.384 N/A TYR 412.A OH GLU 56.A OE1 no hydrogen 3.216 N/A GLU 413.A N LYS 409.A O no hydrogen 2.987 N/A ALA 415.A N TYR 412.A O no hydrogen 2.872 N/A PHE 416.A N GLU 413.A O no hydrogen 2.738 N/A ALA 424.A N PRO 420.A O no hydrogen 3.174 N/A MET 425.A N LEU 421.A O no hydrogen 2.951 N/A MET 426.A N GLN 422.A O no hydrogen 2.960 N/A LYS 427.A N GLU 423.A O no hydrogen 2.900 N/A ASP 428.A N ALA 424.A O no hydrogen 2.915 N/A THR 429.A N MET 425.A O no hydrogen 2.927 N/A THR 429.A OG1 MET 425.A O no hydrogen 3.381 N/A LEU 430.A N MET 426.A O no hydrogen 2.955 N/A GLU 431.A N LYS 427.A O no hydrogen 2.886 N/A THR 432.A N ASP 428.A O no hydrogen 2.903 N/A THR 432.A OG1 ASP 428.A O no hydrogen 3.088 N/A ALA 433.A N THR 429.A O no hydrogen 2.953 N/A ARG 434.A N LEU 430.A O no hydrogen 2.896 N/A GLU 435.A N GLU 431.A O no hydrogen 2.877 N/A LYS 441.A NZ LEU 108.A O no hydrogen 3.495 N/A TYR 443.A N ASN 439.A O no hydrogen 3.317 N/A LEU 444.A N LEU 440.A O no hydrogen 2.939 N/A TYR 448.A OH PRO 228.A O no hydrogen 2.705 N/A VAL 452.A N HIS 450.A ND1 no hydrogen 3.275 N/A LYS 454.A N VAL 452.A O no hydrogen 2.596 N/A