Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5k8d_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A N ASN 64.A O no hydrogen 3.042 N/A TYR 5.A N MET 66.A O no hydrogen 2.898 N/A TYR 5.A OH ARG 58.A O no hydrogen 2.735 N/A ILE 7.A N THR 68.A O no hydrogen 3.305 N/A ALA 8.A N GLN 30.A O no hydrogen 2.976 N/A ALA 9.A N ARG 70.A O no hydrogen 3.020 N/A VAL 10.A N VAL 28.A O no hydrogen 2.780 N/A ARG 12.A N LYS 26.A O no hydrogen 3.136 N/A ARG 12.A NE LEU 13.A O no hydrogen 3.043 N/A TRP 14.A N PHE 24.A O no hydrogen 2.528 N/A TRP 14.A NE1 GLY 210.A O no hydrogen 3.070 N/A TYR 16.A OH GLY 210.A O no hydrogen 3.000 N/A PHE 24.A N TRP 14.A O no hydrogen 3.312 N/A VAL 28.A N VAL 10.A O no hydrogen 2.761 N/A GLN 30.A N ALA 8.A O no hydrogen 2.993 N/A PHE 32.A N PHE 6.A O no hydrogen 3.154 N/A THR 33.A N PRO 40.A O no hydrogen 3.269 N/A ARG 43.A NH2 GLY 51.A O no hydrogen 3.205 N/A ARG 43.A NH2 LEU 53.A O no hydrogen 3.240 N/A GLU 48.A N GLU 45.A O no hydrogen 2.896 N/A LEU 50.A N ASN 47.A O no hydrogen 3.179 N/A GLY 51.A N GLU 48.A O no hydrogen 2.739 N/A LEU 52.A N ASN 209.A O no hydrogen 3.492 N/A LEU 53.A N LEU 50.A O no hydrogen 2.883 N/A GLY 54.A N ILE 146.A O no hydrogen 2.912 N/A TYR 56.A OH HIS 49.A NE2 no hydrogen 2.633 N/A ILE 57.A N PRO 148.A O no hydrogen 3.384 N/A ARG 58.A N TYR 5.A OH no hydrogen 2.894 N/A ALA 59.A N LEU 150.A O no hydrogen 3.175 N/A GLU 60.A N ASP 63.A OD2 no hydrogen 2.952 N/A VAL 61.A N CYS 152.A O no hydrogen 2.835 N/A GLU 62.A N VAL 113.A O no hydrogen 3.066 N/A ASP 63.A N ASP 63.A OD1 no hydrogen 2.316 N/A ASN 64.A ND2 THR 2.A OG1 no hydrogen 3.226 N/A MET 66.A N ARG 3.A O no hydrogen 3.074 N/A VAL 67.A N TYR 109.A O no hydrogen 2.609 N/A THR 68.A N TYR 5.A O no hydrogen 3.353 N/A THR 68.A OG1 TYR 5.A O no hydrogen 3.236 N/A ASN 71.A N GLU 105.A O no hydrogen 3.502 N/A ASN 71.A ND2 ARG 75.A O no hydrogen 3.532 N/A ASN 71.A ND2 VAL 101.A O no hydrogen 3.477 N/A GLN 72.A N ALA 9.A O no hydrogen 3.056 N/A SER 78.A N SER 133.A OG no hydrogen 2.613 N/A SER 78.A OG ASN 99.A O no hydrogen 2.774 N/A SER 78.A OG TYR 109.A OH no hydrogen 2.861 N/A TYR 80.A N PHE 132.A O no hydrogen 2.971 N/A SER 81.A OG ALA 130.A O no hydrogen 3.465 N/A LEU 83.A N SER 81.A OG no hydrogen 3.308 N/A ILE 84.A N SER 81.A O no hydrogen 3.388 N/A SER 85.A OG LEU 83.A O no hydrogen 3.149 N/A TYR 86.A N SER 85.A OG no hydrogen 2.534 N/A VAL 101.A N TYR 77.A O no hydrogen 2.755 N/A LYS 102.A N GLU 105.A OE2 no hydrogen 3.046 N/A ASN 104.A N ASN 71.A O no hydrogen 2.780 N/A LYS 107.A N PHE 69.A O no hydrogen 2.833 N/A TYR 109.A N VAL 67.A O no hydrogen 2.780 N/A TRP 111.A N ILE 65.A O no hydrogen 3.136 N/A VAL 113.A N ASP 63.A O no hydrogen 3.040 N/A MET 117.A N GLN 114.A O no hydrogen 3.203 N/A THR 120.A OG1 ASP 122.A O no hydrogen 2.393 N/A LYS 127.A N VAL 151.A O no hydrogen 2.815 N/A LYS 127.A NZ ALA 118.A O no hydrogen 3.530 N/A TRP 129.A NE1 MET 117.A O no hydrogen 3.140 N/A TYR 131.A N GLY 147.A O no hydrogen 2.688 N/A TYR 131.A OH PRO 55.A O no hydrogen 2.720 N/A PHE 132.A N TYR 80.A O no hydrogen 2.893 N/A SER 133.A OG SER 78.A O no hydrogen 2.932 N/A SER 133.A OG ASP 134.A O no hydrogen 3.051 N/A ASP 136.A N ASP 140.A OD2 no hydrogen 3.067 N/A HIS 142.A N GLU 138.A O no hydrogen 2.888 N/A SER 143.A N LYS 139.A O no hydrogen 3.205 N/A GLY 144.A N ASP 140.A O no hydrogen 2.810 N/A GLY 147.A N TYR 131.A O no hydrogen 2.653 N/A LEU 149.A N TRP 129.A O no hydrogen 3.122 N/A LEU 150.A N ILE 57.A O no hydrogen 3.197 N/A CYS 152.A N ALA 59.A O no hydrogen 3.234 N/A HIS 153.A N ASP 125.A O no hydrogen 3.330 N/A THR 154.A OG1 HIS 153.A O no hydrogen 2.805 N/A ASN 155.A N THR 154.A OG1 no hydrogen 2.582 N/A THR 156.A OG1 HIS 153.A O no hydrogen 2.280 N/A THR 156.A OG1 THR 154.A O no hydrogen 2.355 N/A HIS 161.A N PRO 159.A O no hydrogen 2.155 N/A THR 166.A N GLN 164.A OE1 no hydrogen 2.308 N/A THR 166.A OG1 GLN 164.A OE1 no hydrogen 2.711 N/A GLN 168.A N ARG 226.A O no hydrogen 3.131 N/A GLN 168.A NE2 MET 221.A O no hydrogen 2.865 N/A PHE 170.A N ARG 228.A O no hydrogen 3.000 N/A PHE 173.A N ASN 209.A OD1 no hydrogen 2.604 N/A THR 175.A OG1 ILE 176.A O no hydrogen 3.070 N/A THR 175.A OG1 MET 234.A O no hydrogen 3.237 N/A PHE 177.A N PHE 205.A O no hydrogen 2.360 N/A ASP 178.A N HIS 142.A NE2 no hydrogen 2.633 N/A SER 182.A OG GLU 179.A OE1 no hydrogen 3.067 N/A ASN 188.A N TYR 184.A O no hydrogen 2.224 N/A MET 189.A N PHE 185.A O no hydrogen 2.525 N/A LYS 200.A NZ ASP 178.A O no hydrogen 3.148 N/A LYS 200.A NZ ASP 178.A OD1 no hydrogen 2.542 N/A TYR 203.A N PHE 199.A O no hydrogen 3.270 N/A ARG 204.A N LYS 200.A O no hydrogen 3.352 N/A PHE 205.A N PHE 177.A O no hydrogen 2.719 N/A ALA 207.A N THR 175.A O no hydrogen 2.821 N/A ASN 209.A N PHE 173.A O no hydrogen 2.858 N/A TYR 211.A N ILE 208.A O no hydrogen 2.663 N/A THR 215.A N MET 213.A O no hydrogen 2.757 N/A THR 215.A OG1 ILE 212.A O no hydrogen 2.219 N/A THR 215.A OG1 MET 213.A O no hydrogen 3.485 N/A GLN 223.A N TYR 304.A O no hydrogen 2.584 N/A ARG 226.A NH2 GLU 274.A OE1 no hydrogen 2.207 N/A ILE 227.A N MET 275.A O no hydrogen 2.820 N/A ARG 228.A N GLN 168.A O no hydrogen 2.805 N/A ARG 228.A NE GLU 274.A OE2 no hydrogen 2.884 N/A ARG 228.A NH1 TYR 230.A OH no hydrogen 3.007 N/A TRP 229.A N VAL 273.A O no hydrogen 2.635 N/A TYR 230.A N PHE 170.A O no hydrogen 2.567 N/A TYR 230.A OH GLU 169.A OE1 no hydrogen 2.183 N/A LEU 231.A N GLU 271.A O no hydrogen 3.447 N/A SER 233.A OG LEU 265.A O no hydrogen 3.342 N/A MET 234.A N PHE 174.A O no hydrogen 3.465 N/A ASN 239.A N SER 236.A O no hydrogen 3.521 N/A ASN 239.A ND2 MET 234.A O no hydrogen 2.483 N/A HIS 244.A N GLU 286.A O no hydrogen 2.681 N/A HIS 244.A ND1 ALA 261.A O no hydrogen 3.296 N/A SER 246.A N ARG 284.A O no hydrogen 2.801 N/A HIS 248.A N PHE 245.A O no hydrogen 2.598 N/A PHE 250.A N MET 260.A O no hydrogen 3.036 N/A THR 251.A N GLU 274.A O no hydrogen 3.090 N/A THR 251.A OG1 GLU 257.A OE1 no hydrogen 2.890 N/A THR 251.A OG1 TYR 258.A O no hydrogen 3.319 N/A VAL 252.A N TYR 258.A O no hydrogen 2.717 N/A ARG 253.A NH2 GLU 257.A OE1 no hydrogen 2.830 N/A LYS 254.A N GLU 256.A O no hydrogen 3.036 N/A TYR 258.A N VAL 252.A O no hydrogen 2.867 N/A MET 260.A N PHE 250.A O no hydrogen 2.906 N/A TYR 263.A OH GLU 271.A OE1 no hydrogen 2.958 N/A LEU 265.A N HIS 241.A O no hydrogen 3.119 N/A GLY 268.A N SER 233.A O no hydrogen 2.638 N/A VAL 269.A N TYR 266.A O no hydrogen 2.984 N/A VAL 273.A N TRP 229.A O no hydrogen 2.929 N/A GLU 274.A N THR 251.A O no hydrogen 3.419 N/A MET 275.A N ILE 227.A O no hydrogen 2.998 N/A GLY 281.A N VAL 303.A O no hydrogen 2.609 N/A ARG 284.A NE GLU 286.A OE2 no hydrogen 3.431 N/A VAL 285.A N THR 299.A O no hydrogen 2.727 N/A GLU 286.A N HIS 244.A O no hydrogen 2.994 N/A CYS 287.A SG HIS 241.A ND1 no hydrogen 3.265 N/A LEU 288.A N SER 242.A O no hydrogen 3.003 N/A LEU 293.A N GLY 290.A O no hydrogen 3.214 N/A HIS 294.A N GLY 290.A O no hydrogen 3.431 N/A ALA 295.A N GLU 291.A O no hydrogen 3.276 N/A GLY 296.A N LEU 293.A O no hydrogen 2.743 N/A SER 298.A OG ASP 214.A OD1 no hydrogen 3.002 N/A THR 299.A N VAL 285.A O no hydrogen 2.952 N/A THR 299.A OG1 LEU 216.A O no hydrogen 3.305 N/A PHE 301.A N TRP 283.A O no hydrogen 2.957 N/A LEU 302.A N LEU 219.A O no hydrogen 2.971 N/A SER 305.A N SER 460.A OG no hydrogen 2.698 N/A CYS 308.A SG CYS 456.A O no hydrogen 3.689 N/A CYS 308.A SG CYS 461.A O no hydrogen 3.355 N/A THR 310.A N GLY 455.A O no hydrogen 3.118 N/A THR 310.A OG1 PRO 311.A O no hydrogen 3.207 N/A LEU 312.A N LEU 453.A O no hydrogen 3.129 N/A ILE 319.A N GLY 313.A O no hydrogen 3.276 N/A GLN 323.A N ARG 320.A O no hydrogen 3.263 N/A GLN 323.A NE2 HIS 318.A O no hydrogen 3.448 N/A ILE 324.A N ASP 321.A O no hydrogen 3.365 N/A THR 325.A N LYS 359.A O no hydrogen 3.052 N/A SER 327.A OG GLY 328.A O no hydrogen 2.895 N/A GLN 329.A N GLN 329.A OE1 no hydrogen 2.174 N/A ALA 334.A N GLN 332.A O no hydrogen 2.469 N/A TYR 342.A N LEU 340.A O no hydrogen 2.708 N/A TRP 349.A N LEU 449.A O no hydrogen 2.991 N/A SER 350.A OG SER 447.A O no hydrogen 2.481 N/A THR 351.A OG1 LYS 352.A O no hydrogen 2.804 N/A ILE 358.A N LEU 438.A O no hydrogen 3.091 N/A LYS 359.A N THR 325.A O no hydrogen 2.996 N/A ASP 361.A N GLN 323.A O no hydrogen 3.011 N/A LEU 362.A N ARG 434.A O no hydrogen 2.943 N/A LEU 363.A N ASP 361.A OD1 no hydrogen 2.883 N/A MET 366.A N ILE 432.A O no hydrogen 3.205 N/A MET 366.A N ALA 433.A O no hydrogen 3.256 N/A ILE 368.A N ILE 431.A O no hydrogen 3.279 N/A THR 373.A N LYS 423.A O no hydrogen 2.854 N/A THR 373.A OG1 LYS 423.A O no hydrogen 3.228 N/A SER 381.A N LYS 379.A O no hydrogen 2.477 N/A LEU 383.A N ALA 376.A O no hydrogen 3.039 N/A SER 386.A N HIS 442.A O no hydrogen 2.732 N/A GLN 387.A N HIS 442.A O no hydrogen 3.301 N/A PHE 388.A N PHE 413.A O no hydrogen 3.073 N/A ILE 389.A N HIS 439.A O no hydrogen 2.947 N/A TYR 392.A N GLN 400.A O no hydrogen 3.110 N/A TYR 392.A OH GLU 45.A OE1 no hydrogen 2.339 N/A TYR 392.A OH GLU 45.A OE2 no hydrogen 2.700 N/A SER 393.A N TYR 435.A O no hydrogen 2.705 N/A SER 393.A OG ASP 395.A OD1 no hydrogen 3.217 N/A SER 393.A OG LYS 398.A O no hydrogen 2.613 N/A LYS 397.A N ASP 395.A OD1 no hydrogen 2.831 N/A LYS 398.A N ASP 395.A OD1 no hydrogen 2.906 N/A TYR 402.A N ILE 390.A O no hydrogen 3.026 N/A TYR 402.A OH PRO 429.A O no hydrogen 2.258 N/A ARG 403.A NE SER 406.A O no hydrogen 2.967 N/A ARG 403.A NE GLY 408.A O no hydrogen 3.144 N/A SER 406.A OG THR 407.A O no hydrogen 3.279 N/A SER 406.A OG LEU 410.A O no hydrogen 3.216 N/A PHE 413.A N PHE 388.A O no hydrogen 2.649 N/A GLY 415.A N SER 386.A O no hydrogen 2.578 N/A SER 420.A N GLY 375.A O no hydrogen 2.908 N/A SER 420.A OG SER 420.A O no hydrogen 2.459 N/A LYS 423.A N THR 373.A O no hydrogen 3.255 N/A HIS 424.A ND1 ASN 425.A O no hydrogen 2.953 N/A ASN 425.A N ILE 371.A O no hydrogen 2.646 N/A ASN 425.A ND2 PHE 414.A O no hydrogen 3.343 N/A PHE 427.A N HIS 369.A O no hydrogen 2.703 N/A TYR 435.A N SER 393.A O no hydrogen 2.626 N/A ILE 436.A N VAL 360.A O no hydrogen 3.241 N/A ARG 437.A N MET 391.A O no hydrogen 2.732 N/A HIS 439.A N ILE 389.A O no hydrogen 3.100 N/A THR 441.A N GLN 387.A O no hydrogen 2.520 N/A HIS 442.A N GLN 387.A O no hydrogen 3.168 N/A THR 448.A OG1 TRP 349.A O no hydrogen 2.969 N/A LEU 449.A N TRP 349.A O no hydrogen 2.774 N/A ARG 450.A N GLN 374.A O no hydrogen 3.118 N/A ARG 450.A NH1 GLY 375.A O no hydrogen 2.913 N/A GLU 452.A N LYS 372.A O no hydrogen 3.014 N/A MET 454.A N GLY 370.A O no hydrogen 2.603 N/A GLY 455.A N THR 310.A O no hydrogen 2.886 N/A CYS 456.A N ILE 367.A O no hydrogen 2.731 N/A CYS 456.A SG CYS 308.A O no hydrogen 2.629 N/A CYS 456.A SG CYS 456.A O no hydrogen 2.952 N/A CYS 456.A SG CYS 461.A O no hydrogen 3.054 N/A CYS 461.A N ASN 459.A O no hydrogen 2.898 N/A SER 462.A N THR 528.A OG1 no hydrogen 3.277 N/A LEU 465.A N VAL 610.A O no hydrogen 3.387 N/A GLU 468.A N GLU 609.A OE2 no hydrogen 3.288 N/A SER 469.A OG GLY 466.A O no hydrogen 3.154 N/A LYS 470.A N MET 467.A O no hydrogen 3.000 N/A GLN 476.A N SER 473.A O no hydrogen 2.639 N/A ILE 477.A N SER 473.A O no hydrogen 3.063 N/A THR 478.A N GLN 518.A O no hydrogen 2.875 N/A SER 480.A N TRP 516.A O no hydrogen 2.798 N/A SER 480.A OG GLU 515.A OE1 no hydrogen 2.661 N/A SER 480.A OG TRP 516.A O no hydrogen 3.468 N/A PHE 483.A N ARG 507.A O no hydrogen 2.640 N/A ASN 485.A N ALA 488.A O no hydrogen 2.745 N/A TRP 490.A N PHE 483.A O no hydrogen 2.802 N/A SER 491.A N THR 489.A O no hydrogen 2.585 N/A SER 491.A OG THR 489.A O no hydrogen 2.864 N/A LYS 494.A N SER 491.A O no hydrogen 2.849 N/A LYS 494.A NZ ARG 502.A O no hydrogen 3.341 N/A ALA 495.A N PRO 492.A O no hydrogen 3.095 N/A ARG 496.A NH1 MET 467.A O no hydrogen 2.629 N/A ARG 496.A NH1 ILE 472.A O no hydrogen 3.348 N/A ARG 496.A NH2 ILE 472.A O no hydrogen 2.782 N/A LEU 497.A N MET 608.A O no hydrogen 2.794 N/A ASN 504.A N ASN 504.A OD1 no hydrogen 2.626 N/A ASN 504.A ND2 LEU 499.A O no hydrogen 3.021 N/A ALA 505.A N SER 503.A O no hydrogen 2.846 N/A TRP 506.A N LEU 606.A O no hydrogen 2.686 N/A TRP 506.A NE1 SER 481.A O no hydrogen 3.205 N/A ARG 507.A N TRP 490.A O no hydrogen 3.022 N/A GLN 509.A N SER 481.A OG no hydrogen 3.186 N/A LEU 517.A N ILE 595.A O no hydrogen 3.013 N/A GLN 518.A N THR 478.A O no hydrogen 2.583 N/A VAL 519.A N LEU 593.A O no hydrogen 2.866 N/A ASP 520.A N GLN 476.A O no hydrogen 2.939 N/A PHE 521.A N VAL 519.A O no hydrogen 2.743 N/A MET 525.A N THR 590.A O no hydrogen 3.141 N/A LYS 526.A N CYS 613.A O no hydrogen 3.452 N/A VAL 530.A N ASN 582.A O no hydrogen 3.369 N/A THR 531.A N GLU 609.A O no hydrogen 3.058 N/A THR 531.A OG1 GLU 609.A O no hydrogen 3.465 N/A THR 532.A N VAL 580.A O no hydrogen 2.847 N/A THR 532.A OG1 VAL 580.A O no hydrogen 2.801 N/A SER 537.A N THR 540.A O no hydrogen 3.059 N/A MET 542.A N VAL 535.A O no hydrogen 3.150 N/A TYR 543.A N VAL 601.A O no hydrogen 3.445 N/A LYS 545.A N SER 599.A O no hydrogen 2.686 N/A GLU 546.A N SER 599.A O no hydrogen 3.036 N/A PHE 547.A N PHE 570.A O no hydrogen 3.058 N/A LEU 548.A N HIS 596.A O no hydrogen 2.601 N/A SER 550.A N ARG 594.A O no hydrogen 2.709 N/A SER 550.A OG HIS 596.A NE2 no hydrogen 2.533 N/A SER 551.A OG SER 550.A O no hydrogen 2.600 N/A SER 552.A N TYR 592.A O no hydrogen 2.830 N/A SER 552.A OG SER 551.A O no hydrogen 2.662 N/A SER 552.A OG GLN 557.A O no hydrogen 2.334 N/A GLN 553.A NE2 LEU 589.A O no hydrogen 3.443 N/A THR 559.A N SER 551.A O no hydrogen 3.310 N/A PHE 561.A N ILE 549.A O no hydrogen 2.781 N/A GLN 563.A N LYS 566.A O no hydrogen 2.283 N/A PHE 570.A N PHE 547.A O no hydrogen 2.818 N/A GLY 572.A N LYS 545.A O no hydrogen 3.308 N/A THR 578.A N ASP 575.A OD1 no hydrogen 2.323 N/A THR 578.A OG1 ASP 575.A OD1 no hydrogen 3.168 N/A THR 578.A OG1 ASP 575.A OD2 no hydrogen 2.635 N/A VAL 580.A N THR 532.A O no hydrogen 3.131 N/A ASN 582.A N VAL 530.A O no hydrogen 2.866 N/A THR 590.A OG1 TYR 592.A O no hydrogen 2.587 N/A ARG 591.A NH1 TYR 592.A OH no hydrogen 3.552 N/A TYR 592.A N SER 552.A O no hydrogen 3.028 N/A TYR 592.A OH GLN 522.A OE1 no hydrogen 2.965 N/A LEU 593.A N VAL 519.A O no hydrogen 3.437 N/A HIS 596.A N LEU 548.A O no hydrogen 2.367 N/A HIS 596.A ND1 GLU 515.A O no hydrogen 2.558 N/A HIS 596.A NE2 SER 550.A OG no hydrogen 2.533 N/A GLN 598.A N GLU 546.A O no hydrogen 2.628 N/A VAL 601.A N TYR 543.A O no hydrogen 2.857 N/A GLN 603.A N VAL 601.A O no hydrogen 2.691 N/A ILE 604.A N ASN 511.A OD1 no hydrogen 3.188 N/A LEU 606.A N TRP 506.A O no hydrogen 2.834 N/A ARG 607.A NH1 LEU 499.A O no hydrogen 2.899 N/A ARG 607.A NH2 GLY 534.A O no hydrogen 3.099 N/A MET 608.A N ALA 495.A O no hydrogen 2.671 N/A GLU 609.A N THR 531.A O no hydrogen 2.945 N/A LEU 611.A N GLY 529.A O no hydrogen 2.527 N/A GLY 612.A N MET 463.A O no hydrogen 2.593 N/A