Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5k8d_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A NE TYR 6.A OH no hydrogen 3.261 N/A ARG 4.A NH2 TYR 6.A OH no hydrogen 3.189 N/A TYR 5.A N VAL 54.A O no hydrogen 2.982 N/A GLY 8.A N VAL 26.A O no hydrogen 2.456 N/A LEU 12.A N LYS 22.A O no hydrogen 2.796 N/A TRP 14.A N TYR 20.A O no hydrogen 2.428 N/A TRP 14.A NE1 GLY 186.A O no hydrogen 3.186 N/A MET 17.A N ASP 15.A OD1 no hydrogen 3.309 N/A TYR 20.A N TRP 14.A O no hydrogen 2.596 N/A LYS 22.A N LEU 12.A O no hydrogen 2.841 N/A LYS 22.A NZ TYR 16.A OH no hydrogen 2.411 N/A LYS 22.A NZ GLU 173.A OE1 no hydrogen 2.748 N/A THR 23.A OG1 ALA 9.A O no hydrogen 3.097 N/A LEU 24.A N VAL 10.A O no hydrogen 2.946 N/A PHE 25.A N GLY 140.A O no hydrogen 3.422 N/A PHE 28.A N TYR 6.A O no hydrogen 3.403 N/A MET 38.A N PRO 35.A O no hydrogen 3.016 N/A LEU 40.A N ASN 185.A O no hydrogen 3.237 N/A LEU 41.A N MET 38.A O no hydrogen 3.528 N/A GLY 42.A N ILE 142.A O no hydrogen 3.040 N/A ILE 45.A N ALA 144.A O no hydrogen 2.780 N/A GLN 46.A N TYR 5.A OH no hydrogen 3.222 N/A ALA 47.A N LEU 146.A O no hydrogen 2.931 N/A VAL 49.A N CYS 148.A O no hydrogen 2.985 N/A TYR 50.A N VAL 109.A O no hydrogen 2.644 N/A THR 52.A N THR 2.A OG1 no hydrogen 2.925 N/A LYS 58.A N LEU 7.A O no hydrogen 2.956 N/A ASN 59.A N GLY 101.A O no hydrogen 2.958 N/A ASN 59.A ND2 HIS 63.A O no hydrogen 2.604 N/A ASN 59.A ND2 PHE 98.A O no hydrogen 2.927 N/A MET 60.A N LYS 58.A O no hydrogen 2.748 N/A ALA 61.A N ASN 59.A O no hydrogen 2.516 N/A SER 66.A OG GLY 80.A O no hydrogen 3.102 N/A ALA 69.A N HIS 68.A ND1 no hydrogen 2.558 N/A SER 73.A N GLN 108.A O no hydrogen 3.216 N/A SER 73.A OG GLN 108.A O no hydrogen 3.515 N/A LYS 76.A NZ GLU 79.A OE2 no hydrogen 3.031 N/A LYS 76.A NZ ASP 85.A OD2 no hydrogen 3.346 N/A GLN 86.A NE2 ASP 84.A OD1 no hydrogen 3.492 N/A THR 87.A N ASP 85.A OD1 no hydrogen 3.267 N/A GLY 100.A N ASN 59.A O no hydrogen 3.069 N/A GLY 101.A N PHE 98.A O no hydrogen 2.874 N/A THR 104.A OG1 ILE 55.A O no hydrogen 3.397 N/A TYR 105.A N ILE 55.A O no hydrogen 3.003 N/A TYR 105.A OH ASP 94.A O no hydrogen 3.186 N/A TRP 107.A N VAL 53.A O no hydrogen 2.935 N/A GLN 108.A N SER 73.A O no hydrogen 3.184 N/A ASN 113.A N LEU 110.A O no hydrogen 2.688 N/A MET 116.A N ASP 119.A OD2 no hydrogen 3.340 N/A LEU 123.A N VAL 147.A O no hydrogen 2.967 N/A TYR 125.A N LEU 145.A O no hydrogen 2.815 N/A SER 126.A OG TYR 127.A O no hydrogen 3.365 N/A TYR 127.A N GLY 143.A O no hydrogen 2.898 N/A TYR 127.A OH PRO 43.A O no hydrogen 2.467 N/A LEU 128.A N HIS 68.A O no hydrogen 3.125 N/A SER 129.A OG ASP 136.A OD2 no hydrogen 3.278 N/A ASP 136.A N LEU 133.A O no hydrogen 3.177 N/A ASN 138.A ND2 VAL 134.A O no hydrogen 2.863 N/A ASN 138.A ND2 ASP 136.A O no hydrogen 3.321 N/A SER 139.A OG ASN 138.A O no hydrogen 1.975 N/A GLY 140.A N LEU 137.A O no hydrogen 2.881 N/A LEU 141.A N LEU 137.A O no hydrogen 3.058 N/A LEU 145.A N TYR 125.A O no hydrogen 2.993 N/A LEU 146.A N ILE 45.A O no hydrogen 3.026 N/A CYS 148.A N ALA 47.A O no hydrogen 3.054 N/A LYS 155.A N SER 152.A O no hydrogen 3.140 N/A GLU 156.A N LEU 153.A O no hydrogen 2.483 N/A GLN 159.A N LYS 155.A O no hydrogen 2.047 N/A THR 160.A OG1 HIS 162.A ND1 no hydrogen 2.137 N/A HIS 162.A N THR 160.A OG1 no hydrogen 2.779 N/A LYS 163.A N LEU 161.A O no hydrogen 2.534 N/A PHE 164.A N TYR 204.A O no hydrogen 3.238 N/A LEU 166.A N HIS 206.A O no hydrogen 2.785 N/A PHE 168.A N ILE 208.A O no hydrogen 2.763 N/A ALA 169.A N THR 183.A O no hydrogen 3.016 N/A VAL 170.A N MET 210.A O no hydrogen 3.303 N/A ASP 172.A N ASN 138.A OD1 no hydrogen 2.572 N/A THR 183.A N ALA 169.A O no hydrogen 2.687 N/A VAL 184.A N TYR 187.A O no hydrogen 3.122 N/A ASN 185.A N LEU 167.A O no hydrogen 2.607 N/A ASN 185.A ND2 ILE 165.A O no hydrogen 2.524 N/A GLY 186.A N THR 183.A OG1 no hydrogen 2.564 N/A TYR 187.A OH PRO 36.A O no hydrogen 3.233 N/A ARG 190.A N VAL 188.A O no hydrogen 3.021 N/A VAL 203.A N THR 248.A O no hydrogen 2.793 N/A TYR 204.A N HIS 162.A O no hydrogen 2.882 N/A TRP 205.A N ALA 246.A O no hydrogen 2.466 N/A TRP 205.A NE1 THR 248.A OG1 no hydrogen 2.906 N/A HIS 206.A N PHE 164.A O no hydrogen 2.765 N/A VAL 207.A N LEU 244.A O no hydrogen 2.612 N/A ILE 208.A N LEU 166.A O no hydrogen 2.637 N/A GLY 209.A N THR 242.A O no hydrogen 2.745 N/A THR 212.A OG1 GLY 211.A O no hydrogen 2.659 N/A GLU 215.A N THR 213.A O no hydrogen 2.491 N/A HIS 217.A N ILE 238.A O no hydrogen 3.288 N/A SER 218.A OG SER 235.A OG no hydrogen 3.099 N/A ILE 219.A N LEU 236.A O no hydrogen 3.345 N/A PHE 220.A N PHE 259.A O no hydrogen 3.127 N/A GLU 222.A N LEU 257.A O no hydrogen 2.470 N/A LEU 227.A N GLN 247.A O no hydrogen 2.730 N/A ARG 232.A N ASP 435.A OD2 no hydrogen 2.486 N/A ARG 232.A NE GLY 430.A O no hydrogen 3.399 N/A GLN 233.A N PHE 226.A O no hydrogen 2.677 N/A SER 235.A OG SER 218.A OG no hydrogen 3.099 N/A ILE 238.A N HIS 217.A O no hydrogen 3.139 N/A THR 242.A OG1 SER 239.A O no hydrogen 3.312 N/A LEU 244.A N VAL 207.A O no hydrogen 2.954 N/A ALA 246.A N TRP 205.A O no hydrogen 2.910 N/A GLN 247.A N LEU 227.A O no hydrogen 2.583 N/A THR 248.A N VAL 203.A O no hydrogen 2.812 N/A GLY 254.A N VAL 276.A O no hydrogen 2.542 N/A PHE 256.A N VAL 274.A O no hydrogen 3.131 N/A LEU 258.A N ALA 272.A O no hydrogen 3.053 N/A PHE 259.A N PHE 220.A O no hydrogen 3.088 N/A CYS 260.A N MET 270.A O no hydrogen 2.845 N/A CYS 260.A SG HIS 217.A ND1 no hydrogen 2.589 N/A CYS 260.A SG HIS 265.A ND1 no hydrogen 3.202 N/A HIS 261.A N SER 218.A O no hydrogen 3.206 N/A SER 263.A OG SER 264.A OG no hydrogen 3.417 N/A SER 264.A N SER 263.A OG no hydrogen 2.534 N/A SER 264.A OG SER 263.A OG no hydrogen 3.417 N/A GLN 266.A NE2 SER 263.A O no hydrogen 2.374 N/A GLN 266.A NE2 HIS 267.A ND1 no hydrogen 2.701 N/A ASP 268.A N HIS 265.A O no hydrogen 2.849 N/A ALA 272.A N LEU 258.A O no hydrogen 3.201 N/A VAL 274.A N PHE 256.A O no hydrogen 2.714 N/A LYS 275.A N LEU 195.A O no hydrogen 2.792 N/A VAL 276.A N GLY 254.A O no hydrogen 2.505 N/A LYS 287.A NZ LYS 286.A O no hydrogen 3.167 N/A TRP 292.A N THR 370.A O no hydrogen 2.776 N/A HIS 294.A N LEU 372.A O no hydrogen 2.740 N/A ILE 296.A N ILE 374.A O no hydrogen 3.206 N/A ALA 297.A N MET 339.A O no hydrogen 2.919 N/A ALA 298.A N LYS 376.A O no hydrogen 3.054 N/A GLU 301.A N LYS 335.A O no hydrogen 3.094 N/A ASP 302.A N ASP 302.A OD1 no hydrogen 2.523 N/A TRP 303.A N TYR 333.A O no hydrogen 2.539 N/A TRP 303.A NE1 GLY 514.A O no hydrogen 2.845 N/A TYR 305.A N ARG 331.A O no hydrogen 2.927 N/A ALA 306.A N ASP 304.A O no hydrogen 2.880 N/A ARG 315.A N PRO 312.A O no hydrogen 3.126 N/A SER 316.A OG ASP 313.A O no hydrogen 3.249 N/A SER 319.A N ARG 315.A O no hydrogen 2.779 N/A SER 319.A OG ASN 323.A OD1 no hydrogen 2.118 N/A GLN 320.A NE2 TYR 317.A O no hydrogen 2.648 N/A TYR 321.A N LYS 318.A O no hydrogen 3.355 N/A TYR 321.A OH ALA 505.A O no hydrogen 3.115 N/A LEU 322.A N SER 319.A O no hydrogen 2.924 N/A ARG 328.A NH1 GLN 320.A O no hydrogen 3.419 N/A ARG 331.A NE LEU 322.A O no hydrogen 3.470 N/A ARG 331.A NH1 ASP 304.A OD2 no hydrogen 3.104 N/A LYS 332.A N GLY 330.A O no hydrogen 2.576 N/A TYR 333.A N TRP 303.A O no hydrogen 3.000 N/A TYR 333.A OH ASN 507.A OD1 no hydrogen 2.692 N/A LYS 334.A N ASN 485.A OD1 no hydrogen 2.497 N/A LYS 334.A NZ GLU 484.A OE2 no hydrogen 3.301 N/A LYS 335.A N GLU 301.A O no hydrogen 2.746 N/A LYS 335.A NZ SER 455.A O no hydrogen 3.313 N/A LYS 335.A NZ GLU 476.A OE1 no hydrogen 2.407 N/A ARG 337.A N GLU 299.A O no hydrogen 3.048 N/A MET 339.A N ALA 297.A O no hydrogen 2.940 N/A ALA 340.A N GLU 350.A OE2 no hydrogen 3.109 N/A TYR 341.A OH GLU 299.A OE2 no hydrogen 2.919 N/A THR 342.A OG1 GLU 350.A O no hydrogen 3.335 N/A THR 348.A OG1 TYR 341.A O no hydrogen 2.763 N/A ARG 349.A N ALA 340.A O no hydrogen 3.151 N/A SER 356.A N GLN 353.A O no hydrogen 3.377 N/A GLY 360.A N ILE 458.A O no hydrogen 2.783 N/A LEU 363.A N PRO 460.A O no hydrogen 3.005 N/A TYR 364.A OH GLU 366.A OE1 no hydrogen 2.340 N/A GLY 365.A N LEU 462.A O no hydrogen 2.554 N/A VAL 367.A N CYS 464.A O no hydrogen 3.081 N/A GLY 368.A N VAL 425.A O no hydrogen 2.889 N/A ASP 369.A N GLU 366.A O no hydrogen 2.627 N/A ILE 373.A N TYR 421.A O no hydrogen 3.089 N/A ILE 374.A N HIS 294.A O no hydrogen 2.875 N/A PHE 375.A N PHE 419.A O no hydrogen 2.787 N/A LYS 376.A N ILE 296.A O no hydrogen 3.242 N/A LYS 376.A NZ GLU 344.A OE1 no hydrogen 3.121 N/A LYS 376.A NZ THR 345.A O no hydrogen 2.987 N/A ASN 377.A N GLU 417.A O no hydrogen 3.249 N/A ASN 377.A ND2 ALA 298.A O no hydrogen 3.379 N/A ASN 377.A ND2 ALA 379.A O no hydrogen 3.215 N/A GLN 378.A NE2 GLU 344.A OE2 no hydrogen 3.386 N/A ALA 379.A N ALA 298.A O no hydrogen 3.015 N/A TYR 383.A OH TYR 481.A OH no hydrogen 2.745 N/A ASN 384.A ND2 LEU 408.A O no hydrogen 2.720 N/A ASN 384.A ND2 LYS 409.A O no hydrogen 2.959 N/A ASN 384.A ND2 PHE 446.A O no hydrogen 3.579 N/A ILE 385.A N ASN 384.A OD1 no hydrogen 3.167 N/A TYR 386.A N SER 444.A O no hydrogen 2.899 N/A HIS 388.A N TYR 442.A O no hydrogen 2.999 N/A VAL 393.A N THR 391.A O no hydrogen 2.718 N/A SER 398.A N PRO 395.A O no hydrogen 3.475 N/A ARG 400.A N SER 398.A OG no hydrogen 3.221 N/A LYS 403.A N LEU 401.A O no hydrogen 1.922 N/A GLY 404.A N PRO 402.A O no hydrogen 2.326 N/A HIS 407.A NE2 TYR 386.A OH no hydrogen 3.177 N/A ASP 410.A N HIS 407.A O no hydrogen 2.456 N/A PHE 419.A N PHE 375.A O no hydrogen 2.525 N/A TYR 421.A N ILE 373.A O no hydrogen 2.889 N/A LYS 422.A N ARG 394.A O no hydrogen 3.272 N/A TRP 423.A N LEU 371.A O no hydrogen 3.187 N/A THR 424.A N ASP 392.A O no hydrogen 3.074 N/A THR 424.A OG1 ASP 392.A O no hydrogen 3.306 N/A VAL 425.A N ASP 369.A O no hydrogen 2.757 N/A THR 426.A OG1 ASP 429.A OD2 no hydrogen 2.911 N/A GLY 430.A N VAL 427.A O no hydrogen 2.812 N/A THR 432.A OG1 ASN 230.A O no hydrogen 2.657 N/A THR 432.A OG1 ASP 435.A OD1 no hydrogen 2.540 N/A ASP 435.A N THR 432.A OG1 no hydrogen 3.024 N/A ARG 437.A NH2 THR 432.A O no hydrogen 2.988 N/A TYR 443.A N GLY 459.A O no hydrogen 2.863 N/A TYR 443.A OH PRO 361.A O no hydrogen 2.844 N/A SER 444.A N TYR 386.A O no hydrogen 2.914 N/A SER 445.A N SER 444.A OG no hydrogen 2.488 N/A SER 445.A OG SER 445.A O no hydrogen 2.486 N/A VAL 447.A N SER 445.A O no hydrogen 2.645 N/A MET 449.A N ASN 448.A OD1 no hydrogen 2.756 N/A GLU 450.A N ASN 448.A OD1 no hydrogen 3.001 N/A ARG 451.A N ASN 448.A OD1 no hydrogen 2.644 N/A ALA 454.A N GLU 450.A O no hydrogen 3.294 N/A SER 455.A OG SER 479.A OG no hydrogen 2.873 N/A GLY 459.A N TYR 443.A O no hydrogen 3.340 N/A LEU 461.A N ARG 441.A O no hydrogen 2.612 N/A LEU 462.A N LEU 363.A O no hydrogen 2.784 N/A ILE 463.A N LEU 439.A O no hydrogen 3.375 N/A CYS 464.A N GLY 365.A O no hydrogen 2.465 N/A ILE 469.A N TYR 533.A O no hydrogen 2.947 N/A PHE 471.A N LEU 535.A O no hydrogen 2.487 N/A SER 472.A N SER 511.A OG no hydrogen 2.693 N/A PHE 474.A N MET 509.A O no hydrogen 3.131 N/A ASN 477.A N ASP 475.A O no hydrogen 2.443 N/A ASN 477.A ND2 GLN 504.A O no hydrogen 3.202 N/A SER 479.A OG SER 455.A OG no hydrogen 2.873 N/A TRP 480.A N SER 455.A OG no hydrogen 2.984 N/A TYR 481.A OH GLU 300.A OE2 no hydrogen 3.061 N/A TYR 481.A OH TYR 383.A OH no hydrogen 2.745 N/A LEU 482.A N TRP 480.A O no hydrogen 2.876 N/A ASN 485.A N LEU 482.A O no hydrogen 2.789 N/A ASN 485.A ND2 LYS 334.A O no hydrogen 3.267 N/A ASN 485.A ND2 GLU 476.A OE2 no hydrogen 3.096 N/A ILE 486.A N LEU 482.A O no hydrogen 2.660 N/A GLN 487.A N THR 483.A O no hydrogen 3.130 N/A ARG 488.A N ASN 485.A O no hydrogen 3.031 N/A ARG 488.A NH1 ASP 302.A OD2 no hydrogen 2.649 N/A PHE 489.A N ASN 485.A O no hydrogen 3.218 N/A GLN 497.A N GLN 327.A OE1 no hydrogen 2.451 N/A GLN 504.A N ASP 500.A O no hydrogen 2.750 N/A GLN 504.A N PRO 501.A O no hydrogen 3.245 N/A SER 506.A N PHE 503.A O no hydrogen 2.926 N/A SER 506.A OG GLU 502.A O no hydrogen 2.319 N/A ASN 507.A N GLN 504.A O no hydrogen 3.055 N/A MET 509.A N PHE 474.A O no hydrogen 3.165 N/A HIS 510.A N THR 598.A OG1 no hydrogen 3.185 N/A SER 511.A OG SER 472.A O no hydrogen 2.347 N/A SER 511.A OG HIS 510.A O no hydrogen 3.057 N/A ILE 512.A N HIS 510.A O no hydrogen 3.027 N/A ASN 513.A N SER 511.A OG no hydrogen 3.261 N/A ASN 513.A ND2 VAL 468.A O no hydrogen 3.582 N/A TYR 515.A N SER 511.A O no hydrogen 2.206 N/A TYR 515.A OH HIS 354.A O no hydrogen 2.853 N/A VAL 516.A N SER 511.A O no hydrogen 2.952 N/A SER 519.A OG TYR 515.A O no hydrogen 2.400 N/A GLN 521.A N SER 519.A O no hydrogen 2.642 N/A LEU 522.A N LEU 520.A O no hydrogen 2.392 N/A VAL 524.A N SER 604.A OG no hydrogen 2.795 N/A LEU 526.A N CYS 606.A O no hydrogen 2.889 N/A GLU 528.A N CYS 525.A O no hydrogen 3.169 N/A ALA 530.A N MET 577.A O no hydrogen 3.168 N/A TRP 532.A N MET 575.A O no hydrogen 2.477 N/A TYR 533.A N ASN 467.A O no hydrogen 3.199 N/A LEU 535.A N ILE 469.A O no hydrogen 2.887 N/A SER 536.A N GLU 571.A O no hydrogen 3.312 N/A SER 536.A OG ILE 537.A O no hydrogen 3.413 N/A ILE 537.A N PHE 471.A O no hydrogen 2.810 N/A SER 545.A N LEU 565.A O no hydrogen 2.793 N/A SER 545.A OG LEU 565.A O no hydrogen 3.329 N/A SER 549.A OG LEU 582.A O no hydrogen 2.600 N/A SER 549.A OG ILE 584.A O no hydrogen 2.592 N/A GLY 550.A N LEU 582.A O no hydrogen 3.049 N/A THR 552.A N SER 549.A O no hydrogen 2.699 N/A PHE 553.A N TYR 551.A O no hydrogen 2.161 N/A LYS 554.A NZ TYR 551.A O no hydrogen 3.548 N/A HIS 555.A N ASP 561.A O no hydrogen 3.151 N/A LYS 556.A N SER 576.A O no hydrogen 2.959 N/A ASP 561.A N HIS 555.A O no hydrogen 2.763 N/A LEU 563.A N THR 562.A OG1 no hydrogen 2.243 N/A THR 564.A N THR 562.A O no hydrogen 2.241 N/A SER 569.A OG THR 541.A O no hydrogen 2.553 N/A THR 572.A OG1 ILE 534.A O no hydrogen 2.555 N/A MET 575.A N TRP 532.A O no hydrogen 3.004 N/A MET 577.A N ALA 530.A O no hydrogen 3.384 N/A ASN 579.A ND2 ASN 579.A O no hydrogen 2.896 N/A GLY 581.A N ASN 579.A O no hydrogen 2.226 N/A ILE 584.A N VAL 603.A O no hydrogen 2.849 N/A HIS 588.A N VAL 546.A O no hydrogen 2.803 N/A HIS 588.A ND1 VAL 546.A O no hydrogen 2.493 N/A ASN 589.A ND2 HIS 510.A O no hydrogen 2.969 N/A ASP 591.A N ASN 589.A O no hydrogen 2.536 N/A ARG 595.A N ASP 591.A O no hydrogen 2.865 N/A ARG 595.A N PHE 592.A O no hydrogen 2.994 N/A MET 597.A N ARG 593.A O no hydrogen 2.405 N/A THR 598.A N ASN 594.A O no hydrogen 2.942 N/A THR 598.A OG1 MET 597.A O no hydrogen 2.343 N/A SER 604.A OG LEU 522.A O no hydrogen 2.960 N/A SER 604.A OG VAL 524.A O no hydrogen 3.044 N/A SER 605.A OG SER 604.A O no hydrogen 2.626 N/A LYS 608.A NZ LYS 608.A O no hydrogen 2.464 N/A