Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8i4e_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG TRP 38.A O no hydrogen 2.319 N/A THR 3.A OG1 TYR 198.A OH no hydrogen 2.823 N/A SER 5.A N SER 34.A O no hydrogen 3.218 N/A SER 5.A OG SER 34.A O no hydrogen 3.278 N/A THR 7.A OG1 PHE 6.A O no hydrogen 2.592 N/A THR 7.A OG1 GLY 164.A O no hydrogen 3.054 N/A ARG 8.A NH2 PRO 162.A O no hydrogen 2.828 N/A TYR 11.A OH LEU 28.A O no hydrogen 2.320 N/A LYS 15.A NZ TYR 149.A OH no hydrogen 3.474 N/A THR 25.A N PHE 207.A O no hydrogen 2.906 N/A THR 25.A OG1 PHE 207.A O no hydrogen 3.556 N/A GLN 26.A NE2 PRO 204.A O no hydrogen 3.367 N/A PHE 29.A N GLN 203.A O no hydrogen 2.900 N/A PHE 33.A N SER 5.A O no hydrogen 2.576 N/A SER 34.A OG SER 5.A OG no hydrogen 3.126 N/A SER 34.A OG PRO 31.A O no hydrogen 2.635 N/A THR 37.A N VAL 199.A O no hydrogen 2.887 N/A THR 37.A OG1 VAL 199.A O no hydrogen 2.790 N/A TRP 38.A N SER 1.A OG no hydrogen 3.282 N/A PHE 39.A N TYR 197.A O no hydrogen 2.911 N/A HIS 40.A N ASP 46.A OD2 no hydrogen 3.327 N/A HIS 43.A ND1 GLY 193.A O no hydrogen 2.671 N/A ASN 47.A ND2 PRO 48.A O no hydrogen 2.921 N/A PHE 52.A N THR 181.A O no hydrogen 2.761 N/A VAL 56.A N PHE 139.A O no hydrogen 2.929 N/A TYR 57.A OH GLU 136.A OE1 no hydrogen 3.001 N/A PHE 58.A N PHE 137.A O no hydrogen 2.904 N/A ALA 59.A N TYR 198.A O no hydrogen 3.170 N/A SER 60.A N ARG 135.A O no hydrogen 2.726 N/A SER 60.A OG GLU 62.A OE2 no hydrogen 2.531 N/A THR 61.A OG1 ASN 133.A O no hydrogen 3.510 N/A SER 64.A OG LYS 63.A O no hydrogen 2.436 N/A ILE 71.A N GLN 184.A O no hydrogen 3.061 N/A PHE 72.A N LEU 83.A O no hydrogen 3.243 N/A GLY 73.A N ARG 182.A O no hydrogen 3.400 N/A THR 74.A OG1 ASN 179.A O no hydrogen 2.640 N/A THR 74.A OG1 ASN 179.A OD1 no hydrogen 2.562 N/A THR 75.A OG1 ASP 77.A O no hydrogen 3.182 N/A SER 78.A OG ASP 77.A OD1 no hydrogen 3.340 N/A LYS 79.A NZ THR 75.A OG1 no hydrogen 2.707 N/A LYS 79.A NZ ASP 77.A O no hydrogen 3.305 N/A LYS 79.A NZ SER 78.A O no hydrogen 2.858 N/A GLN 81.A NE2 ASN 118.A O no hydrogen 2.855 N/A GLN 81.A NE2 ASN 118.A OD1 no hydrogen 3.070 N/A SER 82.A N CYS 97.A O no hydrogen 3.310 N/A LEU 83.A N PHE 72.A O no hydrogen 3.154 N/A ASN 87.A N ARG 68.A O no hydrogen 3.164 N/A ASN 91.A ND2 THR 90.A OG1 no hydrogen 2.872 N/A CYS 97.A SG GLU 98.A O no hydrogen 3.785 N/A CYS 97.A SG ASN 117.A O no hydrogen 3.453 N/A CYS 102.A N VAL 112.A O no hydrogen 3.023 N/A CYS 102.A SG ASP 104.A O no hydrogen 3.545 N/A CYS 102.A SG ARG 111.A O no hydrogen 4.008 N/A CYS 102.A SG VAL 112.A O no hydrogen 3.378 N/A LEU 107.A N LEU 187.A O no hydrogen 2.868 N/A ASP 108.A N LEU 187.A O no hydrogen 3.384 N/A SER 115.A OG ALA 116.A O no hydrogen 3.348 N/A ASN 117.A N GLU 98.A O no hydrogen 3.021 N/A CYS 119.A SG ASN 117.A O no hydrogen 3.499 N/A LEU 134.A N THR 153.A O no hydrogen 2.870 N/A ARG 135.A N SER 60.A O no hydrogen 2.536 N/A ARG 135.A NH1 ILE 67.A O no hydrogen 3.546 N/A ARG 135.A NH2 ILE 67.A O no hydrogen 3.347 N/A PHE 137.A N PHE 58.A O no hydrogen 2.901 N/A PHE 139.A N VAL 56.A O no hydrogen 2.905 N/A LYS 140.A N LYS 147.A O no hydrogen 2.960 N/A LYS 140.A NZ TYR 11.A OH no hydrogen 2.694 N/A PHE 146.A N LEU 174.A O no hydrogen 2.880 N/A LYS 147.A N LYS 140.A O no hydrogen 2.864 N/A LYS 147.A NZ ASP 173.A OD2 no hydrogen 2.795 N/A TYR 149.A OH TYR 12.A O no hydrogen 2.828 N/A LYS 151.A N GLU 136.A O no hydrogen 2.923 N/A LYS 151.A NZ ALA 167.A O no hydrogen 2.678 N/A THR 153.A N LEU 134.A O no hydrogen 2.936 N/A THR 153.A OG1 LYS 151.A O no hydrogen 3.426 N/A ILE 155.A N LYS 132.A O no hydrogen 3.114 N/A ASP 160.A N ASP 160.A OD1 no hydrogen 2.536 N/A SER 166.A OG GLU 136.A OE2 no hydrogen 3.082 N/A LEU 168.A N VAL 10.A O no hydrogen 2.935 N/A LEU 171.A N ILE 148.A O no hydrogen 3.271 N/A LEU 174.A N PHE 146.A O no hydrogen 2.935 N/A ARG 182.A N GLY 73.A O no hydrogen 2.937 N/A PHE 183.A N LEU 50.A O no hydrogen 3.290 N/A GLN 184.A N ILE 71.A O no hydrogen 3.241 N/A GLN 184.A NE2 ASN 103.A O no hydrogen 3.640 N/A LEU 186.A N GLY 69.A O no hydrogen 3.311 N/A ALA 188.A N ILE 66.A O no hydrogen 2.830 N/A TYR 197.A N PHE 39.A O no hydrogen 2.883 N/A TYR 198.A OH THR 3.A OG1 no hydrogen 2.823 N/A VAL 199.A N THR 37.A O no hydrogen 2.919 N/A GLN 203.A N PHE 29.A O no hydrogen 2.896 N/A PHE 207.A N THR 25.A O no hydrogen 2.902 N/A LEU 208.A N VAL 221.A O no hydrogen 3.302 N/A LEU 209.A N HIS 23.A O no hydrogen 2.885 N/A LYS 210.A N ASP 219.A O no hydrogen 3.434 N/A TYR 211.A N VAL 21.A O no hydrogen 2.895 N/A GLU 213.A N GLU 213.A OE1 no hydrogen 2.691 N/A ASN 214.A N ASN 212.A OD1 no hydrogen 2.766 N/A GLY 215.A N ASN 212.A O no hydrogen 3.213 N/A VAL 221.A N LEU 208.A O no hydrogen 3.081 N/A CYS 223.A SG VAL 221.A O no hydrogen 3.536 N/A LEU 225.A N GLU 230.A OE1 no hydrogen 3.164 N/A SER 229.A OG ASP 226.A O no hydrogen 3.097 N/A SER 229.A OG ASP 226.A OD1 no hydrogen 2.328 N/A GLU 230.A N ASP 226.A O no hydrogen 2.780 N/A THR 231.A N PRO 227.A O no hydrogen 2.891 N/A THR 231.A OG1 PRO 227.A O no hydrogen 2.727 N/A LYS 232.A N LEU 228.A O no hydrogen 2.910 N/A LYS 232.A NZ LEU 228.A O no hydrogen 3.556 N/A CYS 233.A SG SER 229.A O no hydrogen 3.706 N/A THR 234.A N THR 231.A O no hydrogen 3.139 N/A THR 234.A OG1 THR 231.A O no hydrogen 2.572 N/A LYS 236.A N CYS 233.A O no hydrogen 3.404 N/A LYS 236.A NZ CYS 233.A O no hydrogen 2.974 N/A THR 239.A OG1 VAL 240.A O no hydrogen 3.527 N/A GLY 243.A N THR 531.A O no hydrogen 2.902 N/A TYR 245.A N VAL 529.A O no hydrogen 2.885 N/A THR 247.A OG1 VAL 527.A O no hydrogen 3.462 N/A SER 248.A OG SER 248.A O no hydrogen 2.583 N/A ARG 251.A NE SER 523.A O no hydrogen 2.857 N/A ARG 251.A NH1 THR 247.A OG1 no hydrogen 3.038 N/A ARG 251.A NH2 THR 247.A OG1 no hydrogen 3.388 N/A ARG 251.A NH2 SER 523.A O no hydrogen 3.480 N/A THR 255.A N CYS 470.A O no hydrogen 3.288 N/A ILE 258.A N ASN 472.A O no hydrogen 2.875 N/A VAL 259.A N THR 463.A OG1 no hydrogen 2.620 N/A ARG 260.A NE THR 463.A O no hydrogen 2.361 N/A ARG 260.A NH2 THR 463.A O no hydrogen 3.293 N/A ASN 263.A ND2 ASN 263.A O no hydrogen 2.398 N/A HIS 271.A NE2 VAL 299.A O no hydrogen 2.472 N/A GLU 272.A N PRO 269.A O no hydrogen 2.922 N/A VAL 273.A N PHE 270.A O no hydrogen 3.320 N/A PHE 274.A N HIS 271.A O no hydrogen 3.093 N/A ASN 275.A N HIS 271.A O no hydrogen 3.181 N/A TYR 283.A OH SER 401.A O no hydrogen 2.686 N/A ARG 287.A NH2 SER 446.A OG no hydrogen 3.212 N/A LYS 288.A N ALA 329.A O no hydrogen 2.900 N/A ILE 290.A N VAL 327.A O no hydrogen 2.887 N/A SER 291.A OG ASN 326.A OD1 no hydrogen 3.477 N/A ASN 292.A ND2 ASN 292.A O no hydrogen 2.660 N/A ALA 295.A N CYS 457.A O no hydrogen 3.155 N/A TYR 297.A N ASN 320.A OD1 no hydrogen 3.289 N/A SER 298.A N ASP 296.A OD1 no hydrogen 3.389 N/A SER 298.A OG TYR 301.A OH no hydrogen 3.162 N/A VAL 299.A N ASP 296.A O no hydrogen 3.476 N/A ILE 300.A N TYR 297.A O no hydrogen 3.278 N/A PHE 307.A N ALA 367.A O no hydrogen 3.376 N/A SER 315.A OG THR 317.A OG1 no hydrogen 3.213 N/A THR 317.A OG1 SER 315.A OG no hydrogen 3.213 N/A LYS 318.A N SER 315.A OG no hydrogen 3.391 N/A CYS 323.A SG PHE 324.A O no hydrogen 3.220 N/A CYS 323.A SG VAL 456.A O no hydrogen 3.080 N/A PHE 324.A N VAL 456.A O no hydrogen 3.251 N/A THR 325.A N GLU 448.A O no hydrogen 2.930 N/A THR 325.A OG1 GLU 448.A O no hydrogen 2.290 N/A ASN 326.A N GLU 448.A O no hydrogen 2.911 N/A ASN 326.A ND2 GLU 448.A OE1 no hydrogen 2.804 N/A VAL 327.A N ILE 290.A O no hydrogen 2.911 N/A TYR 328.A N SER 446.A O no hydrogen 2.910 N/A ALA 329.A N LYS 288.A O no hydrogen 2.894 N/A PHE 332.A N VAL 442.A O no hydrogen 2.931 N/A ILE 334.A N TYR 440.A O no hydrogen 2.909 N/A GLU 338.A N ARG 335.A O no hydrogen 3.369 N/A GLN 346.A N ALA 343.A O no hydrogen 3.228 N/A GLN 346.A NE2 GLN 341.A O no hydrogen 3.010 N/A GLN 346.A NE2 THR 347.A O no hydrogen 2.409 N/A ASN 349.A ND2 GLN 341.A OE1 no hydrogen 3.473 N/A TYR 353.A N ASN 349.A O no hydrogen 2.951 N/A ASN 354.A ND2 ARG 386.A O no hydrogen 3.046 N/A LYS 356.A NZ ALA 343.A O no hydrogen 2.635 N/A LYS 356.A NZ GLN 346.A O no hydrogen 2.554 N/A THR 362.A OG1 PHE 447.A O no hydrogen 3.105 N/A CYS 364.A N LEU 445.A O no hydrogen 2.899 N/A CYS 364.A SG LYS 310.A O no hydrogen 3.326 N/A CYS 364.A SG VAL 365.A O no hydrogen 3.338 N/A ILE 366.A N VAL 443.A O no hydrogen 2.908 N/A TRP 368.A N ARG 441.A O no hydrogen 2.903 N/A ASN 369.A ND2 GLN 438.A OE1 no hydrogen 2.401 N/A SER 370.A N PRO 439.A O no hydrogen 2.688 N/A SER 370.A OG PRO 439.A O no hydrogen 3.073 N/A LEU 373.A N SER 370.A O no hydrogen 3.186 N/A ASP 374.A N SER 370.A O no hydrogen 3.089 N/A SER 375.A OG ASN 371.A O no hydrogen 3.148 N/A LYS 376.A N PHE 429.A O no hydrogen 2.715 N/A TYR 385.A N GLN 425.A O no hydrogen 3.338 N/A LEU 387.A N PRO 423.A O no hydrogen 2.972 N/A ARG 389.A NE SER 391.A O no hydrogen 3.118 N/A ARG 389.A NH1 SER 391.A O no hydrogen 3.061 N/A LYS 392.A NZ ASP 352.A OD2 no hydrogen 3.139 N/A LYS 394.A N GLU 397.A OE1 no hydrogen 2.800 N/A LYS 394.A NZ GLU 397.A OE2 no hydrogen 2.568 N/A SER 401.A N ASP 399.A OD1 no hydrogen 2.925 N/A SER 401.A OG ASP 399.A OD1 no hydrogen 2.392 N/A SER 401.A OG ASP 399.A OD2 no hydrogen 3.316 N/A GLN 406.A NE2 ASN 413.A OD1 no hydrogen 2.461 N/A LYS 410.A NZ SER 418.A O no hydrogen 2.426 N/A CYS 412.A N GLN 406.A OE1 no hydrogen 3.015 N/A CYS 412.A SG LYS 410.A O no hydrogen 3.909 N/A CYS 420.A N GLY 417.A O no hydrogen 3.295 N/A CYS 420.A SG TYR 405.A O no hydrogen 4.033 N/A CYS 420.A SG GLN 406.A OE1 no hydrogen 3.643 N/A CYS 420.A SG SER 418.A O no hydrogen 3.503 N/A GLN 425.A N TYR 385.A O no hydrogen 2.841 N/A HIS 437.A N GLY 434.A O no hydrogen 3.226 N/A GLN 438.A N VAL 435.A O no hydrogen 3.479 N/A TYR 440.A N ILE 334.A O no hydrogen 2.891 N/A ARG 441.A N TRP 368.A O no hydrogen 2.899 N/A ARG 441.A NE ASP 374.A OD2 no hydrogen 3.179 N/A ARG 441.A NH2 ASP 374.A OD1 no hydrogen 2.794 N/A ARG 441.A NH2 ASP 374.A OD2 no hydrogen 3.103 N/A VAL 442.A N PHE 332.A O no hydrogen 2.889 N/A VAL 443.A N ILE 366.A O no hydrogen 2.887 N/A VAL 444.A N ASP 330.A O no hydrogen 2.916 N/A LEU 445.A N CYS 364.A O no hydrogen 2.900 N/A SER 446.A N TYR 328.A O no hydrogen 2.876 N/A GLU 448.A N ASN 326.A O no hydrogen 2.902 N/A THR 455.A OG1 THR 325.A O no hydrogen 2.409 N/A LYS 467.A NZ GLU 486.A OE2 no hydrogen 2.857 N/A LYS 469.A NZ THR 255.A OG1 no hydrogen 2.384 N/A VAL 471.A N GLY 482.A O no hydrogen 2.895 N/A ASN 472.A N GLU 256.A O no hydrogen 2.923 N/A PHE 473.A N GLY 480.A O no hydrogen 2.871 N/A ASN 474.A N ILE 258.A O no hydrogen 2.916 N/A ASN 474.A ND2 ASN 474.A O no hydrogen 2.519 N/A THR 479.A OG1 ASN 474.A OD1 no hydrogen 2.273 N/A GLY 480.A N PHE 473.A O no hydrogen 2.926 N/A THR 481.A OG1 ASN 472.A OD1 no hydrogen 3.060 N/A GLY 482.A N VAL 471.A O no hydrogen 2.932 N/A VAL 483.A N THR 520.A O no hydrogen 2.910 N/A THR 485.A N ASP 518.A O no hydrogen 2.905 N/A THR 485.A OG1 ASP 518.A O no hydrogen 3.230 N/A GLN 495.A NE2 THR 504.A O no hydrogen 3.154 N/A GLN 496.A N PHE 494.A O no hydrogen 2.714 N/A VAL 508.A N LEU 517.A O no hydrogen 2.917 N/A ASP 518.A N THR 485.A O no hydrogen 2.904 N/A ILE 519.A N ASP 506.A O no hydrogen 2.546 N/A THR 520.A N VAL 483.A O no hydrogen 2.901 N/A THR 520.A OG1 VAL 483.A O no hydrogen 3.100 N/A SER 523.A OG ILE 556.A O no hydrogen 2.938 N/A VAL 527.A N PHE 524.A O no hydrogen 3.259 N/A SER 528.A N LEU 543.A O no hydrogen 2.899 N/A SER 528.A OG GLN 246.A OE1 no hydrogen 2.952 N/A VAL 529.A N TYR 245.A O no hydrogen 2.910 N/A ILE 530.A N ALA 541.A O no hydrogen 3.420 N/A THR 531.A N GLY 243.A O no hydrogen 2.900 N/A THR 531.A OG1 GLU 241.A O no hydrogen 3.161 N/A THR 531.A OG1 GLY 243.A O no hydrogen 3.405 N/A THR 536.A N GLY 533.A O no hydrogen 3.330 N/A THR 536.A OG1 GLY 533.A O no hydrogen 2.816 N/A ASN 538.A N SER 537.A OG no hydrogen 2.594 N/A GLN 539.A NE2 GLN 610.A O no hydrogen 3.039 N/A VAL 542.A N ILE 583.A O no hydrogen 3.380 N/A LEU 543.A N SER 528.A O no hydrogen 2.894 N/A TYR 544.A N CYS 581.A O no hydrogen 3.310 N/A GLN 545.A N GLY 526.A O no hydrogen 3.366 N/A GLN 545.A NE2 SER 528.A OG no hydrogen 3.066 N/A CYS 549.A SG GLN 576.A OE1 no hydrogen 3.233 N/A THR 550.A OG1 ASN 548.A O no hydrogen 3.424 N/A ALA 555.A N VAL 552.A O no hydrogen 3.180 N/A ILE 556.A N VAL 552.A O no hydrogen 3.070 N/A ALA 558.A N PRO 553.A O no hydrogen 3.178 N/A GLN 560.A N HIS 557.A O no hydrogen 3.142 N/A THR 562.A OG1 THR 564.A OG1 no hydrogen 3.368 N/A THR 564.A OG1 THR 562.A OG1 no hydrogen 3.368 N/A TRP 565.A N THR 562.A O no hydrogen 3.016 N/A ARG 566.A N THR 562.A O no hydrogen 3.131 N/A ARG 566.A N PRO 563.A O no hydrogen 3.392 N/A SER 569.A N ARG 566.A O no hydrogen 3.063 N/A SER 569.A OG TRP 565.A O no hydrogen 3.449 N/A SER 569.A OG ARG 566.A O no hydrogen 2.978 N/A THR 570.A OG1 VAL 567.A O no hydrogen 3.159 N/A THR 570.A OG1 SER 572.A OG no hydrogen 3.101 N/A SER 572.A OG THR 570.A OG1 no hydrogen 3.101 N/A SER 572.A OG ASN 573.A OD1 no hydrogen 3.203 N/A ASN 573.A ND2 ASN 573.A O no hydrogen 2.595 N/A PHE 575.A N LEU 582.A O no hydrogen 2.911 N/A THR 577.A N GLY 580.A O no hydrogen 3.088 N/A ARG 578.A NH2 ALA 600.A O no hydrogen 2.754 N/A CYS 581.A N TYR 544.A O no hydrogen 2.909 N/A CYS 581.A SG PHE 575.A O no hydrogen 3.378 N/A LEU 582.A N PHE 575.A O no hydrogen 2.892 N/A ILE 583.A N VAL 542.A O no hydrogen 3.371 N/A VAL 588.A N ALA 614.A O no hydrogen 2.643 N/A SER 591.A OG THR 616.A O no hydrogen 2.758 N/A TYR 592.A OH GLN 607.A OE1 no hydrogen 3.146 N/A ILE 596.A N ALA 604.A O no hydrogen 2.906 N/A GLY 599.A N ILE 602.A O no hydrogen 3.392 N/A ILE 602.A N GLY 599.A O no hydrogen 3.105 N/A CYS 603.A N TYR 615.A O no hydrogen 2.741 N/A CYS 603.A SG GLY 601.A O no hydrogen 3.927 N/A ALA 604.A N ILE 596.A O no hydrogen 2.890 N/A SER 605.A OG ASP 595.A OD2 no hydrogen 3.014 N/A TYR 606.A N SER 605.A OG no hydrogen 2.657 N/A SER 611.A N GLN 607.A O no hydrogen 3.274 N/A SER 611.A OG SER 609.A O no hydrogen 3.457 N/A ILE 613.A N SER 605.A O no hydrogen 3.444 N/A ALA 614.A N GLU 586.A O no hydrogen 2.973 N/A TYR 615.A N CYS 603.A O no hydrogen 2.965 N/A TYR 615.A OH GLU 593.A O no hydrogen 2.710 N/A