Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8wa1_F.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 1.A N GLU 1.A OE1 no hydrogen 2.704 N/A GLU 5.A N SER 2.A OG no hydrogen 3.378 N/A ALA 6.A N SER 2.A O no hydrogen 2.952 N/A ARG 7.A N GLU 3.A O no hydrogen 2.890 N/A ARG 8.A N GLU 4.A O no hydrogen 2.922 N/A LYS 9.A N GLU 5.A O no hydrogen 2.897 N/A ASN 10.A N ALA 6.A O no hydrogen 2.894 N/A TRP 11.A N ARG 7.A O no hydrogen 2.923 N/A VAL 12.A N ARG 8.A O no hydrogen 2.911 N/A ASP 13.A N LYS 9.A O no hydrogen 2.895 N/A ARG 14.A N ASN 10.A O no hydrogen 2.904 N/A TRP 16.A N ASN 10.A O no hydrogen 3.409 N/A TRP 19.A N ALA 17.A O no hydrogen 2.804 N/A GLU 20.A N GLU 20.A OE1 no hydrogen 2.739 N/A ALA 27.A N SER 24.A OG no hydrogen 3.240 N/A ASN 28.A N SER 24.A O no hydrogen 2.890 N/A PHE 29.A N PRO 25.A O no hydrogen 2.898 N/A ALA 30.A N GLU 26.A O no hydrogen 2.889 N/A ARG 31.A N ALA 27.A O no hydrogen 2.916 N/A LYS 32.A N ASN 28.A O no hydrogen 2.913 N/A SER 33.A N PHE 29.A O no hydrogen 2.879 N/A LEU 34.A N ALA 30.A O no hydrogen 3.243 N/A GLU 36.A N SER 33.A O no hydrogen 3.105 N/A GLN 43.A N GLU 36.A OE1 no hydrogen 3.125 N/A GLN 43.A NE2 ALA 41.A O no hydrogen 3.559 N/A SER 44.A N GLU 36.A OE2 no hydrogen 3.256 N/A SER 44.A OG GLU 36.A OE2 no hydrogen 3.044 N/A ILE 48.A N SER 44.A O no hydrogen 3.205 N/A GLU 49.A N PRO 45.A O no hydrogen 2.899 N/A ALA 50.A N GLU 46.A O no hydrogen 2.888 N/A PHE 51.A N ALA 47.A O no hydrogen 2.908 N/A LYS 52.A N ILE 48.A O no hydrogen 2.928 N/A MET 53.A N GLU 49.A O no hydrogen 2.860 N/A LEU 54.A N PHE 51.A O no hydrogen 3.374 N/A SER 55.A N LYS 52.A O no hydrogen 3.312 N/A TYR 58.A OH GLU 49.A OE1 no hydrogen 3.128 N/A ARG 59.A N SER 55.A O no hydrogen 3.354 N/A LYS 60.A N PRO 56.A O no hydrogen 2.911 N/A LYS 61.A N ASN 57.A O no hydrogen 2.881 N/A LYS 62.A N TYR 58.A O no hydrogen 2.901 N/A ILE 63.A N ARG 59.A O no hydrogen 2.889 N/A SER 64.A N LYS 60.A O no hydrogen 2.920 N/A SER 64.A OG LYS 60.A O no hydrogen 3.128 N/A ASP 65.A N LYS 61.A O no hydrogen 2.885 N/A MET 66.A N LYS 62.A O no hydrogen 2.906 N/A GLY 67.A N ILE 63.A O no hydrogen 3.075 N/A TYR 73.A N THR 69.A O no hydrogen 2.809 N/A TYR 74.A N GLU 70.A O no hydrogen 2.910 N/A ALA 75.A N ASP 71.A O no hydrogen 3.260 N/A LYS 76.A N GLU 72.A O no hydrogen 2.887 N/A LYS 81.A NZ GLU 79.A O no hydrogen 3.330 N/A THR 90.A OG1 ASP 277.A OD1 no hydrogen 3.467 N/A ARG 99.A NH1 LEU 127.A O no hydrogen 3.512 N/A TRP 111.A N PRO 108.A O no hydrogen 3.017 N/A LEU 118.A N ASP 114.A O no hydrogen 2.858 N/A GLU 119.A N LYS 115.A O no hydrogen 2.929 N/A PHE 120.A N LYS 116.A O no hydrogen 3.392 N/A ILE 121.A N GLU 117.A O no hydrogen 2.924 N/A ARG 122.A N LEU 118.A O no hydrogen 2.891 N/A GLU 123.A N GLU 119.A O no hydrogen 2.922 N/A THR 124.A OG1 ILE 121.A O no hydrogen 3.408 N/A HIS 125.A N ARG 122.A O no hydrogen 3.054 N/A GLN 128.A N THR 124.A O no hydrogen 2.902 N/A SER 129.A OG LYS 126.A O no hydrogen 2.648 N/A VAL 137.A N TYR 134.A O no hydrogen 3.369 N/A MET 140.A N VAL 137.A O no hydrogen 2.934 N/A ASP 146.A N THR 145.A OG1 no hydrogen 2.537 N/A LYS 154.A N LEU 150.A O no hydrogen 2.806 N/A LYS 154.A NZ ASP 151.A OD1 no hydrogen 3.396 N/A MET 155.A N ASP 151.A O no hydrogen 2.906 N/A PHE 156.A N ARG 152.A O no hydrogen 2.921 N/A LEU 157.A N TYR 153.A O no hydrogen 2.859 N/A LYS 158.A N LYS 154.A O no hydrogen 2.930 N/A GLN 159.A N MET 155.A O no hydrogen 2.953 N/A TYR 160.A N PHE 156.A O no hydrogen 2.865 N/A ASN 161.A N LEU 157.A O no hydrogen 2.871 N/A GLU 162.A N LYS 158.A O no hydrogen 2.981 N/A TRP 163.A N GLN 159.A O no hydrogen 3.155 N/A VAL 164.A N TYR 160.A O no hydrogen 2.910 N/A ALA 165.A N ASN 161.A O no hydrogen 2.934 N/A ALA 166.A N GLU 162.A O no hydrogen 2.949 N/A ASN 167.A N TRP 163.A O no hydrogen 2.898 N/A LYS 168.A N VAL 164.A O no hydrogen 2.918 N/A LEU 171.A N ASN 167.A O no hydrogen 2.910 N/A GLU 172.A N LYS 168.A O no hydrogen 2.958 N/A LYS 173.A N ASP 169.A O no hydrogen 2.871 N/A GLU 174.A N ARG 170.A O no hydrogen 2.930 N/A SER 175.A N LEU 171.A O no hydrogen 2.906 N/A TYR 176.A N GLU 172.A O no hydrogen 2.913 N/A LYS 177.A N LYS 173.A O no hydrogen 2.898 N/A TYR 178.A N GLU 174.A O no hydrogen 2.915 N/A ASP 179.A N SER 175.A O no hydrogen 2.913 N/A TYR 183.A OH GLN 220.A OE1 no hydrogen 2.809 N/A ARG 186.A NE GLY 185.A O no hydrogen 3.006 N/A ARG 186.A NH1 ASP 179.A OD2 no hydrogen 3.206 N/A ARG 186.A NH1 PRO 264.A O no hydrogen 3.018 N/A ARG 186.A NH2 GLY 185.A O no hydrogen 3.499 N/A ARG 186.A NH2 PRO 264.A O no hydrogen 2.749 N/A ARG 186.A NH2 ARG 268.A O no hydrogen 3.295 N/A ARG 187.A NH1 GLU 199.A OE1 no hydrogen 3.153 N/A ARG 187.A NH1 GLU 199.A OE2 no hydrogen 3.500 N/A ARG 187.A NH2 GLU 199.A OE2 no hydrogen 3.452 N/A LYS 188.A N VAL 229.A O no hydrogen 2.935 N/A LYS 188.A NZ ASP 225.A OD1 no hydrogen 2.859 N/A LYS 188.A NZ ASP 231.A OD1 no hydrogen 3.359 N/A ARG 189.A NH1 ASP 179.A O no hydrogen 2.917 N/A ARG 189.A NH2 ASP 179.A O no hydrogen 3.133 N/A ASP 192.A N ARG 189.A O no hydrogen 3.289 N/A GLN 194.A N ASP 192.A O no hydrogen 3.106 N/A GLU 199.A N TYR 160.A OH no hydrogen 3.066 N/A PHE 202.A N GLU 199.A O no hydrogen 3.250 N/A TYR 203.A N LEU 200.A O no hydrogen 3.113 N/A TYR 203.A OH ILE 226.A O no hydrogen 3.140 N/A GLY 206.A N ILE 258.A O no hydrogen 2.806 N/A GLN 207.A N TYR 204.A O no hydrogen 3.239 N/A CYS 209.A N VAL 256.A O no hydrogen 2.972 N/A CYS 209.A SG GLN 207.A O no hydrogen 3.994 N/A CYS 209.A SG VAL 256.A O no hydrogen 3.512 N/A GLY 211.A N VAL 254.A O no hydrogen 2.974 N/A LYS 212.A N ASP 225.A O no hydrogen 3.329 N/A VAL 213.A N MET 252.A O no hydrogen 3.023 N/A THR 214.A N PHE 223.A O no hydrogen 2.969 N/A ALA 215.A N PHE 223.A O no hydrogen 3.496 N/A HIS 217.A N GLY 221.A O no hydrogen 2.658 N/A GLY 221.A N HIS 217.A O no hydrogen 3.199 N/A ALA 222.A N VAL 234.A O no hydrogen 3.175 N/A PHE 223.A N ALA 215.A O no hydrogen 2.871 N/A VAL 224.A N GLY 232.A O no hydrogen 3.164 N/A ASP 225.A N LYS 212.A O no hydrogen 2.950 N/A GLY 232.A N VAL 224.A O no hydrogen 2.697 N/A TRP 233.A NE1 GLN 220.A O no hydrogen 2.954 N/A VAL 234.A N ALA 222.A O no hydrogen 2.888 N/A ASN 239.A ND2 TRP 16.A O no hydrogen 3.103 N/A TRP 243.A N ASP 240.A O no hydrogen 3.166 N/A ILE 244.A N ASP 240.A O no hydrogen 2.952 N/A ARG 245.A N TRP 241.A O no hydrogen 2.881 N/A ARG 245.A NE TYR 242.A O no hydrogen 3.199 N/A ARG 245.A NH1 GLU 20.A OE1 no hydrogen 2.846 N/A ARG 245.A NH2 GLU 20.A OE1 no hydrogen 3.066 N/A HIS 247.A N ILE 244.A O no hydrogen 3.026 N/A ILE 248.A N ILE 244.A O no hydrogen 2.988 N/A GLY 251.A N VAL 213.A O no hydrogen 3.086 N/A MET 252.A N LYS 249.A O no hydrogen 3.334 N/A VAL 254.A N GLY 211.A O no hydrogen 2.759 N/A VAL 256.A N CYS 209.A O no hydrogen 3.002 N/A GLU 257.A N ARG 274.A O no hydrogen 3.015 N/A ILE 258.A N GLN 207.A O no hydrogen 3.477 N/A LEU 259.A N GLU 272.A O no hydrogen 2.879 N/A LYS 261.A NZ ASP 105.A OD1 no hydrogen 2.732 N/A LYS 261.A NZ TYR 203.A O no hydrogen 2.688 N/A ARG 262.A N PRO 270.A O no hydrogen 2.482 N/A ARG 262.A NE GLU 272.A OE2 no hydrogen 3.278 N/A TYR 265.A N ASP 263.A OD1 no hydrogen 2.975 N/A TYR 265.A OH GLU 298.A OE1 no hydrogen 2.611 N/A ARG 266.A NE ASP 308.A OD2 no hydrogen 3.021 N/A ARG 266.A NH1 PHE 294.A O no hydrogen 3.100 N/A ARG 266.A NH1 ASP 299.A OD1 no hydrogen 3.126 N/A ARG 266.A NH2 ASP 299.A OD1 no hydrogen 3.420 N/A ARG 268.A N PRO 292.A O no hydrogen 3.379 N/A GLU 272.A N ALA 260.A O no hydrogen 3.012 N/A MET 273.A N TRP 233.A O no hydrogen 2.759 N/A ARG 274.A N GLU 257.A O no hydrogen 2.892 N/A ARG 274.A NH2 ASN 279.A OD1 no hydrogen 3.501 N/A ASP 277.A N ILE 255.A O no hydrogen 2.967 N/A ASN 279.A N PHE 275.A O no hydrogen 3.204 N/A LEU 283.A N ILE 280.A O no hydrogen 2.927 N/A PHE 285.A N ASP 240.A OD2 no hydrogen 3.153 N/A ASN 286.A N ASP 240.A OD2 no hydrogen 3.285 N/A ARG 296.A NH1 ASP 179.A OD1 no hydrogen 2.961 N/A ARG 296.A NH2 TYR 265.A O no hydrogen 3.497 N/A ASP 299.A N ARG 296.A O no hydrogen 3.310 N/A ASP 303.A N ASN 301.A OD1 no hydrogen 3.387 N/A LEU 305.A N ASN 301.A O no hydrogen 3.276 N/A ARG 306.A N LEU 302.A O no hydrogen 2.897 N/A ARG 307.A N ASP 303.A O no hydrogen 2.917 N/A ARG 307.A NH1 ASP 303.A OD2 no hydrogen 2.968 N/A ASP 308.A N GLU 304.A O no hydrogen 2.888 N/A CYS 309.A N LEU 305.A O no hydrogen 2.906 N/A CYS 309.A SG LEU 305.A O no hydrogen 3.097 N/A CYS 309.A SG ARG 306.A O no hydrogen 3.659 N/A ARG 311.A NH2 ALA 291.A O no hydrogen 3.127 N/A ARG 316.A N ARG 477.A O no hydrogen 2.632 N/A TYR 334.A N HIS 332.A ND1 no hydrogen 3.267 N/A VAL 335.A N HIS 332.A O no hydrogen 3.288 N/A LEU 338.A N TYR 334.A O no hydrogen 2.926 N/A TRP 339.A N VAL 335.A O no hydrogen 2.881 N/A GLN 340.A N ASP 336.A O no hydrogen 2.928 N/A ILE 341.A N LYS 337.A O no hydrogen 2.910 N/A HIS 342.A N LEU 338.A O no hydrogen 2.896 N/A ASN 343.A N TRP 339.A O no hydrogen 2.923 N/A ALA 344.A N GLN 340.A O no hydrogen 2.921 N/A GLU 345.A N ILE 341.A O no hydrogen 2.873 N/A GLN 346.A N HIS 342.A O no hydrogen 2.922 N/A MET 347.A N ASN 343.A O no hydrogen 2.902 N/A ILE 348.A N ALA 344.A O no hydrogen 2.932 N/A LEU 349.A N GLU 345.A O no hydrogen 2.899 N/A ASP 350.A N GLN 346.A O no hydrogen 2.891 N/A ASP 351.A N MET 347.A O no hydrogen 2.905 N/A MET 352.A N ILE 348.A O no hydrogen 2.931 N/A ALA 354.A N ASP 350.A O no hydrogen 3.360 N/A ASN 355.A N ASP 351.A O no hydrogen 3.309 N/A TYR 359.A N ASN 355.A O no hydrogen 3.118 N/A LYS 360.A N PRO 356.A O no hydrogen 2.806 N/A LYS 362.A N TYR 359.A O no hydrogen 3.418 N/A ARG 378.A N GLU 375.A O no hydrogen 3.203 N/A LYS 393.A N SER 382.A O no hydrogen 2.606 N/A LEU 403.A N VAL 400.A O no hydrogen 3.290 N/A ASP 404.A N GLU 345.A OE2 no hydrogen 2.692 N/A PHE 409.A N LEU 405.A O no hydrogen 2.876 N/A ALA 410.A N GLU 406.A O no hydrogen 2.957 N/A GLU 411.A N ALA 407.A O no hydrogen 2.880 N/A ARG 412.A N ALA 408.A O no hydrogen 2.887 N/A GLN 413.A N PHE 409.A O no hydrogen 2.911 N/A HIS 414.A N ALA 410.A O no hydrogen 2.970 N/A HIS 415.A N GLU 411.A O no hydrogen 2.853 N/A ASN 416.A N ARG 412.A O no hydrogen 2.866 N/A LYS 417.A N GLN 413.A O no hydrogen 2.945 N/A LYS 417.A NZ GLN 413.A OE1 no hydrogen 3.110 N/A LEU 418.A N HIS 414.A O no hydrogen 2.938 N/A ARG 419.A N HIS 415.A O no hydrogen 2.823 N/A MET 420.A N ASN 416.A O no hydrogen 2.907 N/A GLU 421.A N LYS 417.A O no hydrogen 2.924 N/A ALA 422.A N LEU 418.A O no hydrogen 2.874 N/A GLN 423.A N ARG 419.A O no hydrogen 2.901 N/A GLU 424.A N MET 420.A O no hydrogen 2.895 N/A ARG 425.A N GLU 421.A O no hydrogen 2.902 N/A GLY 426.A N ALA 422.A O no hydrogen 2.691 N/A GLU 427.A N ALA 422.A O no hydrogen 2.919 N/A ARG 435.A NH1 ARG 435.A O no hydrogen 2.942 N/A ILE 438.A N LEU 434.A O no hydrogen 3.252 N/A GLU 439.A N ARG 435.A O no hydrogen 2.917 N/A MET 440.A N ARG 436.A O no hydrogen 2.900 N/A ASP 441.A N ASN 437.A O no hydrogen 2.916 N/A GLU 442.A N ILE 438.A O no hydrogen 2.890 N/A TYR 443.A N GLU 439.A O no hydrogen 2.923 N/A TYR 443.A OH GLU 439.A OE2 no hydrogen 3.222 N/A ASP 444.A N MET 440.A O no hydrogen 2.920 N/A PHE 445.A N ASP 441.A O no hydrogen 2.858 N/A ILE 446.A N GLU 442.A O no hydrogen 2.915 N/A HIS 447.A N TYR 443.A O no hydrogen 2.967 N/A TRP 448.A N ASP 444.A O no hydrogen 2.883 N/A ARG 449.A N PHE 445.A O no hydrogen 2.876 N/A ARG 450.A N ILE 446.A O no hydrogen 2.931 N/A SER 451.A N HIS 447.A O no hydrogen 2.939 N/A LEU 452.A N TRP 448.A O no hydrogen 2.862 N/A GLU 453.A N ARG 449.A O no hydrogen 2.913 N/A GLU 454.A N ARG 450.A O no hydrogen 2.922 N/A ARG 455.A N SER 451.A O no hydrogen 2.929 N/A ARG 455.A NH2 VAL 323.A O no hydrogen 3.513 N/A GLU 456.A N LEU 452.A O no hydrogen 2.876 N/A ALA 457.A N GLU 453.A O no hydrogen 2.931 N/A MET 458.A N GLU 454.A O no hydrogen 2.860 N/A LEU 459.A N ARG 455.A O no hydrogen 2.947 N/A ASP 461.A N ALA 457.A O no hydrogen 2.908 N/A ILE 462.A N MET 458.A O no hydrogen 2.889 N/A SER 463.A N LEU 459.A O no hydrogen 3.098 N/A CYS 464.A N ARG 460.A O no hydrogen 2.875 N/A CYS 464.A SG ARG 460.A O no hydrogen 3.308 N/A ARG 465.A N ASP 461.A O no hydrogen 2.868 N/A ARG 465.A NE PRO 471.A O no hydrogen 3.268 N/A ARG 465.A NH1 ASP 461.A OD1 no hydrogen 2.930 N/A ARG 466.A N ILE 462.A O no hydrogen 2.823 N/A ALA 467.A N SER 463.A O no hydrogen 2.748 N/A LEU 468.A N CYS 464.A O no hydrogen 3.032 N/A GLY 469.A N ARG 466.A O no hydrogen 3.104 N/A LEU 470.A N ARG 465.A O no hydrogen 2.827 N/A ARG 477.A N GLU 474.A O no hydrogen 3.257 N/A THR 516.A N GLN 512.A O no hydrogen 3.437 N/A THR 516.A OG1 GLN 512.A O no hydrogen 3.056 N/A ASP 517.A N GLU 513.A O no hydrogen 2.899 N/A VAL 518.A N ARG 514.A O no hydrogen 2.924 N/A HIS 519.A N MET 515.A O no hydrogen 2.922 N/A ASN 520.A N THR 516.A O no hydrogen 2.896 N/A LYS 521.A N ASP 517.A O no hydrogen 2.902 N/A SER 522.A N VAL 518.A O no hydrogen 2.913 N/A ILE 523.A N HIS 519.A O no hydrogen 2.654 N/A LYS 526.A NZ ASN 520.A OD1 no hydrogen 2.377 N/A GLU 536.A N GLU 536.A OE1 no hydrogen 2.766 N/A ALA 538.A N ALA 534.A O no hydrogen 3.026 N/A VAL 539.A N TYR 535.A O no hydrogen 2.918 N/A LYS 540.A N GLU 536.A O no hydrogen 2.900 N/A GLU 541.A N ASP 537.A O no hydrogen 2.898 N/A ARG 542.A N ALA 538.A O no hydrogen 2.909 N/A MET 543.A N VAL 539.A O no hydrogen 2.905 N/A GLN 544.A N LYS 540.A O no hydrogen 2.455 N/A GLN 544.A NE2 GLU 541.A OE2 no hydrogen 2.921 N/A