Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6wkr_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A N ARG 2.A O no hydrogen 3.208 N/A GLU 6.A N ARG 2.A O no hydrogen 3.495 N/A TYR 7.A N VAL 3.A O no hydrogen 2.907 N/A MET 8.A N LYS 4.A O no hydrogen 2.901 N/A ARG 9.A N SER 5.A O no hydrogen 2.906 N/A LEU 10.A N GLU 6.A O no hydrogen 2.950 N/A ARG 11.A N TYR 7.A O no hydrogen 2.871 N/A GLN 12.A N MET 8.A O no hydrogen 2.920 N/A GLN 12.A N ARG 9.A O no hydrogen 3.272 N/A LYS 14.A N LEU 10.A O no hydrogen 3.000 N/A ARG 15.A N ARG 11.A O no hydrogen 2.762 N/A PHE 16.A N GLN 12.A O no hydrogen 2.933 N/A ARG 17.A N LEU 13.A O no hydrogen 3.028 N/A ARG 18.A N LYS 14.A O no hydrogen 2.866 N/A ALA 19.A N ARG 15.A O no hydrogen 2.755 N/A ASP 20.A N PHE 16.A O no hydrogen 3.063 N/A GLU 21.A N ARG 17.A O no hydrogen 2.996 N/A VAL 22.A N ARG 18.A O no hydrogen 2.806 N/A LYS 23.A N ALA 19.A O no hydrogen 2.864 N/A SER 24.A N ASP 20.A O no hydrogen 3.107 N/A SER 24.A OG GLU 21.A O no hydrogen 2.158 N/A MET 25.A N GLU 21.A O no hydrogen 2.855 N/A PHE 26.A N VAL 22.A O no hydrogen 2.743 N/A SER 27.A N LYS 23.A O no hydrogen 2.968 N/A SER 27.A OG LYS 23.A O no hydrogen 3.409 N/A SER 27.A OG SER 24.A O no hydrogen 2.177 N/A SER 28.A N SER 24.A O no hydrogen 2.960 N/A SER 28.A OG SER 24.A O no hydrogen 3.017 N/A SER 28.A OG MET 25.A O no hydrogen 2.620 N/A ASN 29.A N MET 25.A O no hydrogen 2.827 N/A ARG 30.A N PHE 26.A O no hydrogen 2.863 N/A GLN 31.A N SER 27.A O no hydrogen 2.974 N/A GLN 31.A NE2 GLU 35.A OE2 no hydrogen 3.407 N/A LYS 32.A N SER 28.A O no hydrogen 3.161 N/A LYS 32.A NZ ASN 29.A OD1 no hydrogen 3.369 N/A ILE 33.A N ASN 29.A O no hydrogen 2.877 N/A LEU 34.A N ARG 30.A O no hydrogen 2.916 N/A GLU 35.A N GLN 31.A O no hydrogen 3.003 N/A ARG 36.A N LYS 32.A O no hydrogen 2.927 N/A THR 37.A N ILE 33.A O no hydrogen 2.860 N/A THR 37.A OG1 ILE 33.A O no hydrogen 2.371 N/A THR 37.A OG1 LEU 34.A O no hydrogen 2.513 N/A GLU 38.A N LEU 34.A O no hydrogen 2.961 N/A ILE 39.A N GLU 35.A O no hydrogen 2.949 N/A LEU 40.A N ARG 36.A O no hydrogen 2.887 N/A ASN 41.A N THR 37.A O no hydrogen 2.907 N/A GLN 42.A N GLU 38.A O no hydrogen 2.877 N/A GLN 42.A NE2 GLU 38.A OE2 no hydrogen 2.779 N/A GLU 43.A N ILE 39.A O no hydrogen 3.015 N/A TRP 44.A N LEU 40.A O no hydrogen 2.879 N/A LYS 45.A N ASN 41.A O no hydrogen 2.914 N/A LYS 45.A N GLN 42.A O no hydrogen 2.675 N/A GLN 46.A N GLU 43.A O no hydrogen 3.286 N/A GLN 46.A NE2 GLN 42.A O no hydrogen 2.141 N/A ARG 48.A NH2 GLN 50.A OE1 no hydrogen 3.416 N/A LEU 61.A N VAL 58.A O no hydrogen 3.488 N/A CYS 67.A N ILE 80.A O no hydrogen 2.829 N/A CYS 67.A SG ILE 80.A O no hydrogen 3.197 N/A SER 71.A OG LEU 73.A O no hydrogen 2.282 N/A PHE 75.A N LEU 73.A O no hydrogen 2.625 N/A THR 77.A OG1 VAL 69.A O no hydrogen 2.859 N/A ILE 80.A N CYS 67.A O no hydrogen 3.054 N/A LEU 82.A N ARG 65.A O no hydrogen 3.024 N/A SER 90.A OG VAL 91.A O no hydrogen 3.372 N/A SER 98.A N ARG 539.A O no hydrogen 3.063 N/A SER 98.A OG ARG 539.A O no hydrogen 3.550 N/A MET 105.A N PHE 241.A O no hydrogen 2.797 N/A LEU 112.A N LYS 140.A O no hydrogen 2.560 N/A HIS 113.A ND1 LEU 112.A O no hydrogen 2.324 N/A GLN 125.A N VAL 122.A O no hydrogen 3.003 N/A ASP 126.A N LEU 123.A O no hydrogen 3.100 N/A THR 128.A OG1 GLU 132.A OE2 no hydrogen 3.461 N/A PHE 129.A N ASP 126.A O no hydrogen 3.154 N/A GLU 132.A N THR 128.A O no hydrogen 2.885 N/A LEU 133.A N PHE 129.A O no hydrogen 2.932 N/A ILE 134.A N ILE 130.A O no hydrogen 2.895 N/A LYS 135.A N GLU 131.A O no hydrogen 2.880 N/A LYS 135.A NZ GLU 131.A OE1 no hydrogen 3.419 N/A ASN 136.A N GLU 132.A O no hydrogen 2.922 N/A TYR 137.A N LEU 133.A O no hydrogen 2.973 N/A ASP 138.A N LYS 135.A O no hydrogen 2.757 N/A GLY 139.A N ILE 134.A O no hydrogen 2.397 N/A ASP 144.A N VAL 141.A O no hydrogen 3.087 N/A VAL 156.A N ASP 152.A O no hydrogen 3.203 N/A GLU 157.A N GLU 153.A O no hydrogen 2.901 N/A LEU 158.A N ILE 154.A O no hydrogen 2.857 N/A VAL 159.A N PHE 155.A O no hydrogen 2.881 N/A ASN 160.A N VAL 156.A O no hydrogen 2.906 N/A ALA 161.A N GLU 157.A O no hydrogen 2.870 N/A LEU 162.A N LEU 158.A O no hydrogen 2.329 N/A GLY 163.A N ALA 161.A O no hydrogen 2.618 N/A GLU 171.A N ASP 167.A O no hydrogen 2.899 N/A ALA 172.A N LYS 168.A O no hydrogen 2.912 N/A ILE 173.A N ILE 169.A O no hydrogen 2.907 N/A SER 174.A N PHE 170.A O no hydrogen 2.893 N/A SER 174.A OG PHE 170.A O no hydrogen 2.869 N/A SER 175.A N GLU 171.A O no hydrogen 2.902 N/A SER 175.A OG GLU 171.A O no hydrogen 3.393 N/A SER 175.A OG ALA 172.A O no hydrogen 2.489 N/A MET 176.A N ALA 172.A O no hydrogen 2.919 N/A PHE 177.A N ILE 173.A O no hydrogen 2.994 N/A LYS 187.A N ALA 183.A O no hydrogen 2.893 N/A GLU 188.A N GLU 184.A O no hydrogen 2.893 N/A LYS 189.A N GLU 185.A O no hydrogen 2.896 N/A TYR 190.A N LEU 186.A O no hydrogen 2.887 N/A LYS 191.A N LYS 187.A O no hydrogen 2.881 N/A GLU 192.A N GLU 188.A O no hydrogen 2.887 N/A LEU 193.A N LYS 189.A O no hydrogen 2.880 N/A THR 194.A N TYR 190.A O no hydrogen 2.872 N/A GLU 195.A N LYS 191.A O no hydrogen 3.139 N/A SER 223.A OG ARG 220.A O no hydrogen 2.243 N/A LEU 224.A N ARG 220.A O no hydrogen 3.031 N/A LEU 224.A N GLU 221.A O no hydrogen 3.046 N/A HIS 225.A N GLN 222.A O no hydrogen 3.377 N/A HIS 228.A N LEU 224.A O no hydrogen 2.923 N/A THR 229.A N HIS 225.A O no hydrogen 2.787 N/A THR 229.A OG1 HIS 225.A O no hydrogen 2.757 N/A THR 229.A OG1 SER 226.A O no hydrogen 2.884 N/A CYS 232.A N LYS 237.A O no hydrogen 2.964 N/A CYS 232.A SG HIS 243.A ND1 no hydrogen 2.609 N/A PHE 236.A N ARG 233.A O no hydrogen 2.940 N/A LYS 237.A N CYS 232.A O no hydrogen 3.213 N/A CYS 240.A SG HIS 243.A ND1 no hydrogen 2.484 N/A CYS 266.A SG LYS 264.A O no hydrogen 3.589 N/A CYS 270.A SG LYS 264.A O no hydrogen 3.517 N/A LYS 278.A N LEU 274.A O no hydrogen 2.570 N/A GLU 279.A N GLU 275.A O no hydrogen 3.113 N/A PHE 280.A N GLY 276.A O no hydrogen 2.876 N/A ALA 281.A N ALA 277.A O no hydrogen 2.899 N/A ALA 283.A N GLU 279.A O no hydrogen 2.908 N/A LEU 284.A N PHE 280.A O no hydrogen 2.475 N/A THR 285.A N ALA 282.A O no hydrogen 3.171 N/A ALA 297.A N SER 293.A O no hydrogen 2.289 N/A SER 298.A N GLY 294.A O no hydrogen 2.865 N/A MET 299.A N ALA 295.A O no hydrogen 2.859 N/A PHE 300.A N GLU 296.A O no hydrogen 2.900 N/A ARG 301.A N ALA 297.A O no hydrogen 2.888 N/A ARG 301.A NE SER 217.A OG no hydrogen 2.682 N/A VAL 302.A N SER 298.A O no hydrogen 2.901 N/A VAL 302.A N MET 299.A O no hydrogen 3.219 N/A LEU 303.A N MET 299.A O no hydrogen 2.856 N/A ILE 304.A N PHE 300.A O no hydrogen 2.886 N/A THR 306.A N LEU 303.A O no hydrogen 3.116 N/A THR 306.A OG1 LEU 303.A O no hydrogen 2.108 N/A ALA 313.A N ASN 310.A OD1 no hydrogen 2.590 N/A ILE 314.A N ASN 310.A O no hydrogen 3.399 N/A ALA 315.A N PHE 311.A O no hydrogen 2.907 N/A LEU 317.A N ALA 313.A O no hydrogen 2.899 N/A ILE 318.A N ILE 314.A O no hydrogen 2.704 N/A LYS 321.A N ILE 318.A O no hydrogen 3.381 N/A ARG 324.A N GLN 269.A O no hydrogen 2.355 N/A VAL 326.A N THR 322.A O no hydrogen 2.219 N/A TYR 327.A N CYS 323.A O no hydrogen 2.869 N/A GLU 328.A N ARG 324.A O no hydrogen 2.355 N/A PHE 329.A N GLN 325.A O no hydrogen 2.328 N/A ARG 330.A N VAL 326.A O no hydrogen 2.763 N/A VAL 331.A N TYR 327.A O no hydrogen 2.879 N/A LYS 332.A N GLU 328.A O no hydrogen 2.724 N/A GLU 333.A N PHE 329.A O no hydrogen 2.277 N/A SER 335.A N ARG 330.A O no hydrogen 2.421 N/A ILE 336.A N GLU 333.A O no hydrogen 2.549 N/A ILE 337.A N SER 334.A O no hydrogen 3.202 N/A ARG 354.A N LYS 351.A O no hydrogen 3.041 N/A HIS 356.A N LYS 353.A O no hydrogen 2.796 N/A TRP 359.A NE1 ARG 416.A O no hydrogen 2.785 N/A ALA 360.A N HIS 356.A O no hydrogen 2.855 N/A ALA 361.A N ARG 357.A O no hydrogen 2.658 N/A HIS 362.A N LEU 358.A O no hydrogen 2.863 N/A CYS 363.A N TRP 359.A O no hydrogen 2.889 N/A CYS 363.A SG TRP 359.A O no hydrogen 2.907 N/A ARG 364.A N ALA 360.A O no hydrogen 2.925 N/A LYS 365.A N ALA 361.A O no hydrogen 2.823 N/A LYS 365.A NZ HIS 362.A ND1 no hydrogen 2.846 N/A ILE 366.A N HIS 362.A O no hydrogen 2.877 N/A GLN 367.A N CYS 363.A O no hydrogen 2.893 N/A LEU 368.A N ARG 364.A O no hydrogen 2.928 N/A LYS 369.A N LYS 365.A O no hydrogen 2.838 N/A LYS 369.A N ILE 366.A O no hydrogen 3.269 N/A ASP 371.A N GLN 367.A O no hydrogen 2.863 N/A VAL 377.A N ASN 375.A O no hydrogen 3.092 N/A CYS 383.A SG HIS 385.A NE2 no hydrogen 3.413 N/A CYS 394.A N ASP 391.A O no hydrogen 2.905 N/A CYS 394.A SG HIS 385.A NE2 no hydrogen 3.084 N/A CYS 396.A SG PHE 402.A O no hydrogen 3.390 N/A ILE 398.A N CYS 394.A O no hydrogen 2.860 N/A ALA 399.A N PRO 395.A O no hydrogen 2.908 N/A ALA 399.A N CYS 396.A O no hydrogen 3.210 N/A GLN 400.A N VAL 397.A O no hydrogen 2.481 N/A ASN 401.A N CYS 396.A O no hydrogen 3.109 N/A ASN 401.A ND2 TYR 378.A O no hydrogen 3.395 N/A LYS 405.A NZ ASP 441.A OD2 no hydrogen 2.706 N/A LYS 405.A NZ ASP 443.A OD2 no hydrogen 2.229 N/A CYS 407.A N GLU 404.A O no hydrogen 2.632 N/A CYS 407.A SG TYR 380.A OH no hydrogen 3.210 N/A CYS 407.A SG GLU 404.A O no hydrogen 3.202 N/A GLN 408.A N CYS 383.A O no hydrogen 2.566 N/A CYS 409.A N CYS 383.A O no hydrogen 3.236 N/A CYS 409.A SG HIS 385.A NE2 no hydrogen 2.862 N/A GLU 412.A N SER 410.A OG no hydrogen 3.336 N/A CYS 413.A N SER 410.A O no hydrogen 2.819 N/A ARG 416.A N CYS 413.A O no hydrogen 2.906 N/A ASN 427.A N GLN 425.A O no hydrogen 2.485 N/A ASN 427.A ND2 GLN 425.A OE1 no hydrogen 2.658 N/A LYS 429.A N THR 428.A OG1 no hydrogen 2.441 N/A LEU 435.A N CYS 431.A O no hydrogen 3.293 N/A LEU 435.A N PRO 432.A O no hydrogen 2.813 N/A ALA 436.A N PRO 432.A O no hydrogen 3.138 N/A ARG 438.A N CYS 433.A O no hydrogen 3.159 N/A ASP 443.A N ASP 441.A OD1 no hydrogen 2.341 N/A LEU 444.A N ASP 441.A O no hydrogen 3.000 N/A CYS 445.A N ASP 441.A O no hydrogen 3.158 N/A LEU 446.A N LEU 444.A O no hydrogen 2.488 N/A THR 447.A OG1 ARG 421.A O no hydrogen 3.372 N/A SER 456.A OG HIS 453.A ND1 no hydrogen 3.430 N/A SER 460.A OG CYS 448.A O no hydrogen 2.736 N/A ASN 463.A ND2 ARG 438.A O no hydrogen 2.604 N/A CYS 464.A SG CYS 461.A O no hydrogen 3.178 N/A ILE 466.A N GLU 439.A OE2 no hydrogen 3.189 N/A GLN 467.A NE2 ASN 563.A OD1 no hydrogen 3.041 N/A ARG 468.A N CYS 464.A O no hydrogen 3.279 N/A ARG 468.A NH1 HIS 453.A O no hydrogen 2.320 N/A ARG 468.A NH2 ALA 450.A O no hydrogen 3.449 N/A GLY 469.A N SER 465.A O no hydrogen 2.250 N/A LYS 472.A N ILE 498.A O no hydrogen 3.268 N/A LEU 475.A N PHE 487.A O no hydrogen 3.003 N/A SER 479.A N GLY 483.A O no hydrogen 2.276 N/A SER 479.A OG GLY 483.A O no hydrogen 2.361 N/A SER 479.A OG TRP 484.A O no hydrogen 3.244 N/A ALA 482.A N SER 479.A OG no hydrogen 3.022 N/A GLY 485.A N ALA 477.A O no hydrogen 3.087 N/A ILE 486.A N PHE 546.A O no hydrogen 3.117 N/A PHE 487.A N LEU 475.A O no hydrogen 3.459 N/A ILE 488.A N GLU 580.A O no hydrogen 3.397 N/A VAL 492.A N ILE 576.A O no hydrogen 2.681 N/A GLN 493.A N GLU 496.A OE1 no hydrogen 2.866 N/A TYR 501.A OH PHE 525.A O no hydrogen 2.917 N/A CYS 502.A SG GLU 500.A OE2 no hydrogen 3.244 N/A GLU 504.A N ASP 536.A O no hydrogen 2.748 N/A ILE 505.A N PHE 104.A O no hydrogen 3.051 N/A ILE 506.A N VAL 534.A O no hydrogen 2.906 N/A SER 507.A OG ASP 108.A OD2 no hydrogen 3.405 N/A SER 507.A OG ASP 509.A OD1 no hydrogen 2.615 N/A GLU 510.A N SER 507.A OG no hydrogen 3.356 N/A GLU 510.A N ASP 509.A OD1 no hydrogen 2.776 N/A ALA 511.A N SER 507.A O no hydrogen 3.293 N/A ASP 512.A N GLN 508.A O no hydrogen 3.305 N/A ASP 512.A N ASP 509.A O no hydrogen 2.856 N/A ARG 513.A N GLU 510.A O no hydrogen 2.830 N/A ARG 513.A NE ASP 509.A O no hydrogen 2.778 N/A GLY 515.A N ALA 511.A O no hydrogen 3.229 N/A LYS 516.A N ARG 513.A O no hydrogen 2.945 N/A TYR 518.A N ARG 514.A O no hydrogen 2.927 N/A ASP 519.A N GLY 515.A O no hydrogen 2.863 N/A MET 522.A N ASP 519.A O no hydrogen 2.684 N/A CYS 523.A N TYR 518.A O no hydrogen 3.042 N/A CYS 523.A SG TYR 521.A O no hydrogen 3.175 N/A LEU 526.A N SER 524.A OG no hydrogen 2.841 N/A PHE 527.A N VAL 535.A O no hydrogen 3.133 N/A ASN 528.A ND2 GLN 508.A OE1 no hydrogen 3.494 N/A ASN 528.A ND2 ASN 530.A O no hydrogen 3.419 N/A LEU 529.A N PHE 533.A O no hydrogen 3.098 N/A ASN 530.A N PHE 533.A O no hydrogen 3.225 N/A ASP 532.A N ASN 530.A OD1 no hydrogen 2.561 N/A PHE 533.A N ASN 530.A OD1 no hydrogen 2.314 N/A VAL 534.A N ILE 506.A O no hydrogen 2.949 N/A VAL 535.A N PHE 527.A O no hydrogen 2.863 N/A ASP 536.A N GLU 504.A O no hydrogen 2.649 N/A THR 538.A N ASP 536.A OD1 no hydrogen 2.786 N/A THR 538.A OG1 TYR 518.A OH no hydrogen 3.428 N/A THR 538.A OG1 ASP 536.A OD1 no hydrogen 3.240 N/A GLY 541.A N SER 98.A O no hydrogen 3.353 N/A ASN 542.A ND2 GLU 500.A O no hydrogen 3.408 N/A LYS 543.A NZ LEU 474.A O no hydrogen 2.351 N/A ARG 545.A N ASN 542.A O no hydrogen 2.971 N/A ARG 545.A NH2 THR 538.A O no hydrogen 3.223 N/A PHE 546.A N LYS 543.A O no hydrogen 2.748 N/A ALA 547.A N ILE 544.A O no hydrogen 2.919 N/A ASN 552.A N SER 550.A OG no hydrogen 3.282 N/A ASN 554.A ND2 GLU 581.A O no hydrogen 3.215 N/A CYS 555.A SG ASN 554.A OD1 no hydrogen 3.229 N/A TYR 556.A N PHE 571.A O no hydrogen 2.985 N/A TYR 556.A OH ASN 495.A OD1 no hydrogen 2.383 N/A LYS 558.A N GLY 569.A O no hydrogen 3.126 N/A VAL 562.A N ASP 565.A O no hydrogen 2.721 N/A ASP 565.A N VAL 562.A O no hydrogen 2.582 N/A HIS 566.A NE2 TYR 378.A O no hydrogen 3.175 N/A ARG 567.A N MET 560.A O no hydrogen 3.422 N/A ILE 570.A N SER 499.A O no hydrogen 3.264 N/A PHE 571.A N TYR 556.A O no hydrogen 3.048 N/A ALA 572.A N GLU 496.A O no hydrogen 3.406 N/A LYS 573.A N ASN 554.A O no hydrogen 2.631 N/A ILE 576.A N VAL 492.A O no hydrogen 2.905 N/A GLN 577.A N GLN 577.A OE1 no hydrogen 2.443 N/A GLN 577.A N GLU 580.A OE2 no hydrogen 3.391 N/A PHE 583.A N ASN 554.A OD1 no hydrogen 3.263 N/A TYR 586.A N HIS 549.A ND1 no hydrogen 3.130 N/A TYR 586.A OH ALA 547.A O no hydrogen 2.951 N/A ARG 587.A N ASP 585.A OD1 no hydrogen 2.283 N/A SER 589.A OG ASP 592.A OD2 no hydrogen 3.035 N/A ALA 593.A N SER 589.A O no hydrogen 2.576 N/A LEU 594.A N GLN 590.A O no hydrogen 3.076 N/A LYS 595.A N ALA 591.A O no hydrogen 3.155 N/A TYR 596.A N ASP 592.A O no hydrogen 2.905 N/A VAL 597.A N ALA 593.A O no hydrogen 2.904 N/A