Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8w9z_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 20.A N SER 16.A O no hydrogen 3.188 N/A SER 21.A OG GLN 18.A O no hydrogen 2.639 N/A ALA 22.A N GLN 19.A O no hydrogen 3.064 N/A TRP 23.A N ILE 20.A O no hydrogen 3.466 N/A THR 25.A N SER 21.A O no hydrogen 3.300 N/A THR 25.A OG1 SER 21.A O no hydrogen 3.190 N/A THR 38.A N ASP 53.A O no hydrogen 3.230 N/A LYS 39.A N ASP 53.A O no hydrogen 2.727 N/A HIS 44.A N LYS 49.A O no hydrogen 3.047 N/A THR 47.A N HIS 44.A O no hydrogen 3.349 N/A GLU 51.A N THR 42.A O no hydrogen 2.531 N/A PHE 56.A N THR 42.A OG1 no hydrogen 2.697 N/A CYS 57.A SG GLY 54.A O no hydrogen 3.169 N/A ARG 66.A N SER 63.A O no hydrogen 3.218 N/A ARG 67.A N SER 63.A O no hydrogen 3.457 N/A TYR 68.A N ARG 64.A O no hydrogen 2.916 N/A GLN 69.A N ILE 65.A O no hydrogen 2.846 N/A TYR 72.A N GLY 35.A O no hydrogen 3.262 N/A ILE 73.A N LEU 235.A O no hydrogen 3.238 N/A LYS 74.A N GLU 36.A OE1 no hydrogen 3.325 N/A ALA 76.A N ASN 269.A OD1 no hydrogen 3.399 N/A HIS 81.A N MET 230.A O no hydrogen 3.386 N/A ASN 94.A N SER 90.A O no hydrogen 2.935 N/A LEU 95.A N TYR 91.A O no hydrogen 2.909 N/A LEU 95.A N ILE 92.A O no hydrogen 3.138 N/A LEU 96.A N ILE 92.A O no hydrogen 2.917 N/A LYS 98.A NZ LEU 96.A O no hydrogen 3.031 N/A GLU 102.A N GLU 102.A OE1 no hydrogen 2.842 N/A GLU 104.A N LEU 100.A O no hydrogen 2.963 N/A GLY 105.A N LYS 101.A O no hydrogen 3.019 N/A LEU 106.A N GLU 102.A O no hydrogen 2.783 N/A VAL 107.A N LEU 103.A O no hydrogen 2.896 N/A TYR 108.A N GLU 104.A O no hydrogen 2.755 N/A SER 112.A OG GLU 131.A OE2 no hydrogen 3.048 N/A ARG 115.A NH1 THR 122.A OG1 no hydrogen 3.316 N/A LYS 138.A N SER 136.A O no hydrogen 2.992 N/A ILE 141.A N TRP 137.A O no hydrogen 3.024 N/A PRO 142.A N LYS 138.A O no hydrogen 3.440 N/A LEU 143.A N TYR 139.A O no hydrogen 3.294 N/A PHE 144.A N ILE 141.A O no hydrogen 3.317 N/A THR 146.A OG1 PHE 145.A O no hydrogen 2.274 N/A GLY 149.A N THR 146.A O no hydrogen 3.118 N/A ARG 154.A N PHE 150.A O no hydrogen 2.979 N/A ARG 156.A N PHE 153.A O no hydrogen 3.322 N/A GLU 157.A N ARG 154.A O no hydrogen 3.322 N/A ILE 158.A N ARG 154.A O no hydrogen 2.746 N/A ALA 164.A N GLY 161.A O no hydrogen 3.071 N/A ARG 166.A N ALA 162.A O no hydrogen 2.911 N/A GLU 167.A N GLY 163.A O no hydrogen 2.902 N/A GLN 168.A N ALA 164.A O no hydrogen 2.895 N/A LEU 169.A N ILE 165.A O no hydrogen 2.899 N/A ALA 170.A N ARG 166.A O no hydrogen 2.910 N/A ARG 175.A N ASP 173.A OD1 no hydrogen 3.421 N/A ILE 177.A N ASP 173.A O no hydrogen 3.386 N/A ASN 180.A N ILE 176.A O no hydrogen 2.928 N/A SER 181.A N ILE 177.A O no hydrogen 2.885 N/A SER 181.A OG LEU 210.A O no hydrogen 3.551 N/A LEU 182.A N ILE 178.A O no hydrogen 2.874 N/A VAL 183.A N GLU 179.A O no hydrogen 2.940 N/A GLU 184.A N ASN 180.A O no hydrogen 2.919 N/A TRP 185.A N SER 181.A O no hydrogen 2.889 N/A GLU 186.A N LEU 182.A O no hydrogen 2.901 N/A GLU 187.A N VAL 183.A O no hydrogen 2.920 N/A LEU 188.A N GLU 184.A O no hydrogen 2.811 N/A GLU 197.A N GLU 197.A OE1 no hydrogen 2.682 N/A GLU 199.A N ASN 196.A O no hydrogen 3.159 N/A ARG 201.A N GLU 197.A O no hydrogen 2.922 N/A VAL 203.A N GLU 199.A O no hydrogen 2.922 N/A GLY 204.A N ASP 200.A O no hydrogen 2.877 N/A ARG 205.A N ARG 201.A O no hydrogen 2.920 N/A ARG 206.A N LYS 202.A O no hydrogen 2.891 N/A LYS 207.A N VAL 203.A O no hydrogen 2.932 N/A ASP 208.A N GLY 204.A O no hydrogen 2.893 N/A PHE 209.A N ARG 205.A O no hydrogen 2.923 N/A LEU 210.A N ARG 206.A O no hydrogen 2.909 N/A VAL 211.A N LYS 207.A O no hydrogen 2.903 N/A ARG 212.A N ASP 208.A O no hydrogen 2.916 N/A ARG 212.A NE ASN 94.A OD1 no hydrogen 3.165 N/A ARG 213.A N PHE 209.A O no hydrogen 2.888 N/A ARG 213.A NH2 LEU 95.A O no hydrogen 3.136 N/A VAL 214.A N LEU 210.A O no hydrogen 2.935 N/A GLU 215.A N VAL 211.A O no hydrogen 2.918 N/A LEU 216.A N ARG 212.A O no hydrogen 2.899 N/A ALA 217.A N ARG 213.A O no hydrogen 2.896 N/A LYS 218.A N VAL 214.A O no hydrogen 2.938 N/A LYS 218.A NZ VAL 214.A O no hydrogen 3.243 N/A ARG 222.A N HIS 219.A O no hydrogen 3.034 N/A GLU 228.A N GLU 228.A OE1 no hydrogen 2.766 N/A LEU 232.A N VAL 79.A O no hydrogen 2.772 N/A LEU 235.A N ILE 73.A O no hydrogen 3.272 N/A VAL 237.A N GLY 71.A O no hydrogen 3.011 N/A ARG 243.A N PRO 239.A O no hydrogen 3.350 N/A ARG 243.A NE PRO 239.A O no hydrogen 3.245 N/A ARG 243.A NH2 LEU 55.A O no hydrogen 2.997 N/A ILE 258.A N ASP 257.A OD1 no hydrogen 2.655 N/A ASN 259.A ND2 SER 256.A OG no hydrogen 2.417 N/A GLU 260.A N SER 256.A O no hydrogen 3.014 N/A LEU 261.A N ASP 257.A O no hydrogen 2.916 N/A TYR 262.A N ILE 258.A O no hydrogen 2.902 N/A TYR 262.A OH PRO 236.A O no hydrogen 3.256 N/A ARG 263.A N ASN 259.A O no hydrogen 2.902 N/A ARG 264.A N GLU 260.A O no hydrogen 2.889 N/A VAL 265.A N LEU 261.A O no hydrogen 2.934 N/A ILE 266.A N TYR 262.A O no hydrogen 2.921 N/A TYR 267.A N ARG 263.A O no hydrogen 2.908 N/A ARG 268.A N ARG 264.A O no hydrogen 2.936 N/A ASN 269.A N VAL 265.A O no hydrogen 2.890 N/A ASN 269.A ND2 LYS 74.A O no hydrogen 3.108 N/A ASN 270.A N ILE 266.A O no hydrogen 2.935 N/A THR 271.A N TYR 267.A O no hydrogen 2.952 N/A THR 271.A OG1 TYR 267.A O no hydrogen 2.967 N/A THR 271.A OG1 ARG 268.A O no hydrogen 2.620 N/A THR 271.A OG1 GLN 290.A OE1 no hydrogen 2.867 N/A LEU 272.A N ARG 268.A O no hydrogen 2.898 N/A THR 273.A N ASN 269.A O no hydrogen 2.931 N/A ASP 274.A N ASN 270.A O no hydrogen 2.904 N/A LEU 275.A N THR 271.A O no hydrogen 2.900 N/A LEU 276.A N LEU 272.A O no hydrogen 2.919 N/A THR 277.A N THR 273.A O no hydrogen 2.903 N/A THR 277.A OG1 THR 273.A O no hydrogen 2.620 N/A THR 278.A N ASP 274.A O no hydrogen 2.900 N/A MET 288.A N GLY 284.A O no hydrogen 2.922 N/A CYS 289.A N GLU 285.A O no hydrogen 2.900 N/A GLN 290.A N LEU 286.A O no hydrogen 2.916 N/A GLU 291.A N VAL 287.A O no hydrogen 2.904 N/A LYS 292.A N MET 288.A O no hydrogen 2.965 N/A LYS 292.A NZ TYR 108.A O no hydrogen 2.928 N/A LYS 292.A NZ CYS 109.A O no hydrogen 2.979 N/A LEU 293.A N CYS 289.A O no hydrogen 2.859 N/A VAL 294.A N GLN 290.A O no hydrogen 2.864 N/A GLN 295.A N GLU 291.A O no hydrogen 2.962 N/A GLN 295.A NE2 VAL 107.A O no hydrogen 3.150 N/A GLU 296.A N LYS 292.A O no hydrogen 2.855 N/A ALA 297.A N LEU 293.A O no hydrogen 3.047 N/A VAL 298.A N VAL 294.A O no hydrogen 2.800 N/A ASP 299.A N GLN 295.A O no hydrogen 2.874 N/A THR 300.A N GLU 296.A O no hydrogen 2.922 N/A THR 300.A OG1 GLU 296.A O no hydrogen 3.138 N/A THR 300.A OG1 ALA 297.A O no hydrogen 2.532 N/A LEU 301.A N ALA 297.A O no hydrogen 2.915 N/A LEU 302.A N VAL 298.A O no hydrogen 2.902 N/A ASP 303.A N ASP 299.A O no hydrogen 2.909 N/A ASN 304.A N THR 300.A O no hydrogen 2.887 N/A GLY 305.A N LEU 301.A O no hydrogen 2.910 N/A ILE 306.A N LEU 302.A O no hydrogen 2.901 N/A ARG 307.A N ASP 303.A O no hydrogen 2.911 N/A GLY 308.A N ASN 304.A O no hydrogen 2.758 N/A VAL 315.A N ILE 406.A O no hydrogen 2.876 N/A GLY 317.A N LEU 408.A O no hydrogen 2.887 N/A ARG 324.A N SER 321.A OG no hydrogen 3.380 N/A CYS 325.A N GLN 397.A O no hydrogen 2.986 N/A CYS 325.A SG GLN 397.A O no hydrogen 3.767 N/A GLY 326.A N CYS 407.A O no hydrogen 2.683 N/A LEU 327.A N VAL 399.A O no hydrogen 2.738 N/A ALA 332.A N PRO 328.A O no hydrogen 2.919 N/A ILE 333.A N ARG 329.A O no hydrogen 2.930 N/A GLU 334.A N GLU 330.A O no hydrogen 2.912 N/A LEU 335.A N ILE 331.A O no hydrogen 2.914 N/A PHE 336.A N ALA 332.A O no hydrogen 2.917 N/A VAL 340.A N PHE 336.A O no hydrogen 2.903 N/A ILE 341.A N GLN 337.A O no hydrogen 2.903 N/A ARG 342.A N THR 338.A O no hydrogen 2.932 N/A GLY 343.A N PHE 339.A O no hydrogen 2.891 N/A LEU 344.A N VAL 340.A O no hydrogen 2.898 N/A ILE 345.A N ILE 341.A O no hydrogen 2.924 N/A ARG 346.A N ARG 342.A O no hydrogen 2.889 N/A GLN 347.A N GLY 343.A O no hydrogen 3.509 N/A ALA 356.A N ASN 352.A O no hydrogen 3.166 N/A LYS 357.A N ILE 353.A O no hydrogen 2.902 N/A SER 358.A N GLY 354.A O no hydrogen 2.903 N/A LYS 359.A N VAL 355.A O no hydrogen 2.900 N/A ILE 360.A N ALA 356.A O no hydrogen 2.899 N/A ARG 361.A N LYS 357.A O no hydrogen 2.906 N/A GLU 362.A N SER 358.A O no hydrogen 2.978 N/A GLU 362.A N LYS 359.A O no hydrogen 3.274 N/A GLU 369.A N PRO 365.A O no hydrogen 2.925 N/A ILE 370.A N ILE 366.A O no hydrogen 2.916 N/A LEU 371.A N VAL 367.A O no hydrogen 2.879 N/A GLN 372.A N TRP 368.A O no hydrogen 2.915 N/A GLU 373.A N GLU 369.A O no hydrogen 2.922 N/A VAL 374.A N ILE 370.A O no hydrogen 2.892 N/A MET 375.A N LEU 371.A O no hydrogen 2.916 N/A HIS 378.A NE2 PRO 430.A O no hydrogen 3.159 N/A VAL 380.A N PHE 396.A O no hydrogen 2.823 N/A LEU 381.A N HIS 428.A O no hydrogen 2.859 N/A LEU 382.A N GLN 394.A O no hydrogen 2.928 N/A ASN 383.A N ALA 426.A O no hydrogen 3.078 N/A GLN 394.A N LEU 382.A O no hydrogen 3.141 N/A ALA 395.A N MET 443.A O no hydrogen 3.133 N/A PHE 396.A N VAL 380.A O no hydrogen 2.737 N/A GLN 397.A N HIS 323.A O no hydrogen 2.917 N/A VAL 399.A N CYS 325.A O no hydrogen 2.739 N/A VAL 401.A N LEU 327.A O no hydrogen 2.909 N/A ILE 406.A N VAL 313.A O no hydrogen 2.956 N/A CYS 407.A N GLY 326.A O no hydrogen 3.022 N/A CYS 407.A SG ALA 405.A O no hydrogen 3.971 N/A LEU 408.A N VAL 315.A O no hydrogen 3.148 N/A LEU 411.A N HIS 409.A ND1 no hydrogen 3.098 N/A CYS 413.A N HIS 409.A O no hydrogen 2.902 N/A LYS 414.A N PRO 410.A O no hydrogen 2.904 N/A GLY 415.A N LEU 411.A O no hydrogen 2.908 N/A PHE 416.A N CYS 413.A O no hydrogen 3.238 N/A ASP 419.A N ASP 423.A OD2 no hydrogen 2.815 N/A MET 425.A N SER 312.A O no hydrogen 3.270 N/A ALA 426.A N ASN 383.A O no hydrogen 3.004 N/A HIS 428.A N LEU 381.A O no hydrogen 2.932 N/A GLU 434.A N GLU 434.A OE1 no hydrogen 2.750 N/A GLN 436.A N SER 432.A O no hydrogen 3.195 N/A VAL 437.A N LEU 433.A O no hydrogen 2.916 N/A GLU 438.A N GLU 434.A O no hydrogen 2.918 N/A ALA 439.A N ALA 435.A O no hydrogen 2.897 N/A ARG 440.A N GLN 436.A O no hydrogen 2.912 N/A ARG 440.A NH2 GLY 377.A O no hydrogen 3.271 N/A LEU 441.A N VAL 437.A O no hydrogen 2.916 N/A LEU 442.A N GLU 438.A O no hydrogen 2.947 N/A ASN 448.A N SER 445.A O no hydrogen 3.336 N/A SER 451.A N ASP 456.A O no hydrogen 2.974 N/A ILE 458.A N LEU 449.A O no hydrogen 2.935 N/A LEU 466.A N THR 462.A O no hydrogen 2.956 N/A ILE 467.A N GLN 463.A O no hydrogen 2.917 N/A GLY 468.A N ASP 464.A O no hydrogen 2.918 N/A LEU 469.A N MET 465.A O no hydrogen 2.920 N/A TYR 470.A N LEU 466.A O no hydrogen 2.877 N/A VAL 471.A N ILE 467.A O no hydrogen 2.917 N/A LEU 472.A N GLY 468.A O no hydrogen 2.928 N/A THR 473.A N LEU 469.A O no hydrogen 2.911 N/A THR 473.A OG1 LEU 469.A O no hydrogen 2.789 N/A SER 474.A OG VAL 471.A O no hydrogen 3.070 N/A HIS 477.A ND1 ASN 476.A OD1 no hydrogen 2.932 N/A VAL 482.A N GLY 479.A O no hydrogen 3.238 N/A ASN 483.A N GLY 479.A O no hydrogen 3.322 N/A CYS 488.A N ASN 486.A OD1 no hydrogen 3.108 N/A THR 491.A OG1 LYS 492.A O no hydrogen 3.373 N/A PHE 496.A N TRP 518.A O no hydrogen 2.843 N/A ALA 502.A N ASN 498.A O no hydrogen 3.410 N/A ILE 503.A N SER 499.A O no hydrogen 2.931 N/A GLY 504.A N TYR 500.A O no hydrogen 2.894 N/A ALA 505.A N ASP 501.A O no hydrogen 2.889 N/A TYR 506.A N ALA 502.A O no hydrogen 2.921 N/A ARG 507.A N ILE 503.A O no hydrogen 2.901 N/A GLN 508.A N GLY 504.A O no hydrogen 2.989 N/A LYS 509.A N TYR 506.A O no hydrogen 3.128 N/A ARG 510.A N ALA 505.A O no hydrogen 3.125 N/A SER 515.A N ASN 512.A O no hydrogen 3.357 N/A SER 515.A OG GLU 493.A OE2 no hydrogen 3.440 N/A LEU 517.A N THR 569.A O no hydrogen 3.050 N/A LEU 519.A N ILE 567.A O no hydrogen 2.841 N/A ARG 520.A N PHE 496.A O no hydrogen 3.027 N/A TRP 521.A N ILE 565.A O no hydrogen 2.764 N/A LEU 523.A N TRP 521.A O no hydrogen 2.789 N/A GLU 532.A N SER 530.A O no hydrogen 2.738 N/A ILE 535.A N ILE 548.A O no hydrogen 2.951 N/A HIS 538.A N TYR 546.A O no hydrogen 3.034 N/A HIS 538.A NE2 GLU 536.A OE2 no hydrogen 2.821 N/A THR 544.A OG1 GLU 540.A OE2 no hydrogen 2.326 N/A PHE 545.A N ARG 556.A O no hydrogen 2.942 N/A TYR 546.A N HIS 538.A O no hydrogen 3.173 N/A GLU 547.A N ILE 554.A O no hydrogen 2.911 N/A ILE 548.A N GLU 536.A O no hydrogen 2.974 N/A TYR 549.A N TYR 552.A O no hydrogen 3.031 N/A TYR 549.A OH GLU 547.A OE1 no hydrogen 3.108 N/A LEU 553.A N TYR 566.A O no hydrogen 2.825 N/A ILE 554.A N GLU 547.A O no hydrogen 3.148 N/A VAL 555.A N PHE 564.A O no hydrogen 2.977 N/A ARG 556.A N PHE 545.A O no hydrogen 3.123 N/A SER 557.A N GLN 561.A O no hydrogen 2.992 N/A SER 557.A OG GLN 561.A O no hydrogen 3.559 N/A GLN 561.A NE2 SER 557.A OG no hydrogen 3.299 N/A LEU 563.A N VAL 555.A O no hydrogen 2.815 N/A PHE 564.A N VAL 555.A O no hydrogen 3.389 N/A TYR 566.A N LEU 553.A O no hydrogen 2.980 N/A ILE 567.A N LEU 519.A O no hydrogen 2.931 N/A ARG 568.A N HIS 551.A O no hydrogen 2.904 N/A THR 569.A N LEU 517.A O no hydrogen 3.160 N/A THR 569.A OG1 THR 570.A O no hydrogen 3.468 N/A ALA 575.A N VAL 571.A O no hydrogen 2.896 N/A LEU 576.A N GLY 572.A O no hydrogen 2.929 N/A TYR 577.A N HIS 573.A O no hydrogen 2.937 N/A ARG 578.A N ILE 574.A O no hydrogen 2.860 N/A GLU 579.A N ALA 575.A O no hydrogen 2.905 N/A ILE 580.A N LEU 576.A O no hydrogen 2.979 N/A GLU 581.A N TYR 577.A O no hydrogen 2.941 N/A GLU 582.A N ARG 578.A O no hydrogen 2.858 N/A ALA 583.A N GLU 579.A O no hydrogen 2.906 N/A ILE 584.A N ILE 580.A O no hydrogen 2.974 N/A GLN 585.A N GLU 581.A O no hydrogen 2.923 N/A GLY 586.A N GLU 582.A O no hydrogen 2.860 N/A PHE 587.A N ALA 583.A O no hydrogen 2.932 N/A SER 588.A N ILE 584.A O no hydrogen 2.943 N/A SER 588.A OG ILE 584.A O no hydrogen 3.054 N/A ARG 589.A N GLN 585.A O no hydrogen 2.897 N/A ALA 590.A N GLY 586.A O no hydrogen 2.877 N/A TYR 591.A N PHE 587.A O no hydrogen 2.934 N/A SER 592.A N ARG 589.A O no hydrogen 3.073 N/A SER 592.A OG ARG 589.A O no hydrogen 2.673 N/A