Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7wpa_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 6.A N THR 2.A O no hydrogen 3.075 N/A ALA 7.A N ILE 3.A O no hydrogen 2.874 N/A LYS 8.A N GLU 4.A O no hydrogen 3.395 N/A THR 9.A N GLU 5.A O no hydrogen 2.923 N/A THR 9.A OG1 GLU 5.A O no hydrogen 2.393 N/A THR 9.A OG1 GLN 6.A O no hydrogen 3.338 N/A PHE 10.A N GLN 6.A O no hydrogen 2.921 N/A LEU 11.A N ALA 7.A O no hydrogen 2.868 N/A ASP 12.A N LYS 8.A O no hydrogen 2.944 N/A LYS 13.A NZ GLU 17.A OE1 no hydrogen 3.239 N/A PHE 14.A N PHE 10.A O no hydrogen 2.906 N/A ASN 15.A N LEU 11.A O no hydrogen 2.881 N/A HIS 16.A N ASP 12.A O no hydrogen 2.949 N/A GLU 17.A N LYS 13.A O no hydrogen 2.931 N/A ALA 18.A N PHE 14.A O no hydrogen 2.822 N/A GLU 19.A N ASN 15.A O no hydrogen 2.924 N/A LEU 21.A N GLU 17.A O no hydrogen 2.904 N/A PHE 22.A N ALA 18.A O no hydrogen 2.822 N/A TYR 23.A N GLU 19.A O no hydrogen 2.929 N/A GLN 24.A N ASP 20.A O no hydrogen 2.913 N/A SER 25.A N LEU 21.A O no hydrogen 2.902 N/A SER 26.A N PHE 22.A O no hydrogen 2.836 N/A SER 26.A OG PHE 22.A O no hydrogen 2.413 N/A LEU 27.A N TYR 23.A O no hydrogen 2.931 N/A SER 29.A N SER 25.A O no hydrogen 2.886 N/A TRP 30.A N SER 26.A O no hydrogen 2.892 N/A ASN 31.A N LEU 27.A O no hydrogen 2.941 N/A ASN 35.A N ASN 31.A O no hydrogen 3.026 N/A ILE 36.A N LYS 323.A O no hydrogen 2.820 N/A GLU 39.A N GLU 39.A OE1 no hydrogen 2.865 N/A ASN 40.A N THR 37.A OG1 no hydrogen 3.078 N/A VAL 41.A N THR 37.A O no hydrogen 3.209 N/A ASN 43.A N GLU 39.A O no hydrogen 2.914 N/A GLY 48.A N MET 44.A O no hydrogen 2.888 N/A ASP 49.A N ASN 45.A O no hydrogen 3.399 N/A ALA 53.A N ASP 49.A O no hydrogen 2.492 N/A PHE 54.A N LYS 50.A O no hydrogen 3.362 N/A LEU 55.A N TRP 51.A O no hydrogen 3.175 N/A LYS 56.A N SER 52.A O no hydrogen 2.897 N/A GLN 58.A N PHE 54.A O no hydrogen 2.897 N/A SER 59.A N LEU 55.A O no hydrogen 3.000 N/A SER 59.A OG GLN 63.A OE1 no hydrogen 3.454 N/A ALA 62.A N SER 59.A O no hydrogen 2.975 N/A GLN 63.A N SER 59.A O no hydrogen 2.914 N/A GLN 71.A N GLN 71.A OE1 no hydrogen 2.943 N/A ASN 72.A N GLU 4.A OE1 no hydrogen 3.441 N/A LEU 77.A N LEU 73.A O no hydrogen 2.894 N/A GLN 78.A N THR 74.A O no hydrogen 2.903 N/A LEU 79.A N VAL 75.A O no hydrogen 2.933 N/A GLN 80.A N LYS 76.A O no hydrogen 3.098 N/A LEU 82.A N LEU 79.A O no hydrogen 3.171 N/A GLN 84.A NE2 SER 59.A OG no hydrogen 2.760 N/A ASN 85.A N GLN 83.A O no hydrogen 2.865 N/A SER 87.A OG SER 91.A O no hydrogen 2.847 N/A VAL 89.A N GLY 86.A O no hydrogen 3.358 N/A ASP 93.A N SER 91.A OG no hydrogen 3.161 N/A SER 95.A OG SER 91.A O no hydrogen 3.221 N/A LYS 96.A N GLU 92.A O no hydrogen 3.242 N/A ARG 97.A N ASP 93.A O no hydrogen 2.919 N/A LEU 98.A N LYS 94.A O no hydrogen 2.928 N/A ASN 99.A N SER 95.A O no hydrogen 2.901 N/A THR 100.A N LYS 96.A O no hydrogen 2.853 N/A THR 100.A OG1 LYS 96.A O no hydrogen 2.406 N/A ILE 101.A N ARG 97.A O no hydrogen 2.937 N/A LEU 102.A N LEU 98.A O no hydrogen 2.907 N/A ASN 103.A N THR 100.A O no hydrogen 3.159 N/A MET 105.A N ILE 101.A O no hydrogen 2.923 N/A THR 107.A N ASN 103.A O no hydrogen 3.399 N/A THR 107.A OG1 ASN 103.A O no hydrogen 3.379 N/A TYR 109.A OH SER 484.A O no hydrogen 2.397 N/A SER 110.A N THR 107.A O no hydrogen 3.358 N/A SER 110.A OG SER 106.A O no hydrogen 2.458 N/A GLY 112.A N TYR 109.A O no hydrogen 3.194 N/A CYS 115.A SG ASN 116.A O no hydrogen 3.690 N/A ASN 116.A ND2 ASN 119.A O no hydrogen 3.602 N/A LEU 125.A N PRO 128.A O no hydrogen 2.824 N/A GLY 129.A N GLU 127.A O no hydrogen 3.125 N/A GLU 132.A N GLU 132.A OE1 no hydrogen 3.241 N/A MET 134.A N LEU 130.A O no hydrogen 2.909 N/A ALA 135.A N ASN 131.A O no hydrogen 2.911 N/A ARG 143.A NH2 GLU 142.A OE1 no hydrogen 3.495 N/A ALA 146.A N ARG 143.A O no hydrogen 3.280 N/A GLU 148.A N GLU 148.A OE1 no hydrogen 2.975 N/A SER 149.A OG ALA 146.A O no hydrogen 2.617 N/A TRP 150.A NE1 SER 484.A OG no hydrogen 2.699 N/A ARG 151.A NH1 ASP 481.A OD1 no hydrogen 2.447 N/A SER 152.A N GLU 148.A O no hydrogen 2.897 N/A SER 152.A OG GLU 148.A O no hydrogen 3.289 N/A SER 152.A OG SER 149.A O no hydrogen 3.094 N/A GLU 153.A N SER 149.A O no hydrogen 3.082 N/A VAL 154.A N TRP 150.A O no hydrogen 2.883 N/A GLY 155.A N TRP 150.A O no hydrogen 2.618 N/A GLN 157.A N VAL 154.A O no hydrogen 2.993 N/A GLN 157.A NE2 GLU 153.A O no hydrogen 3.593 N/A TYR 162.A OH TRP 455.A O no hydrogen 3.094 N/A VAL 166.A N GLU 163.A O no hydrogen 3.263 N/A VAL 167.A N GLU 163.A O no hydrogen 2.962 N/A LYS 169.A NZ TYR 165.A O no hydrogen 3.341 N/A GLU 171.A N ASN 170.A OD1 no hydrogen 2.653 N/A MET 172.A N LEU 168.A O no hydrogen 2.980 N/A GLU 179.A N GLU 179.A OE1 no hydrogen 2.784 N/A TYR 184.A N TYR 181.A O no hydrogen 3.256 N/A ARG 186.A N GLY 182.A O no hydrogen 2.687 N/A TYR 189.A N ARG 186.A O no hydrogen 3.075 N/A GLU 190.A N ARG 186.A O no hydrogen 2.975 N/A GLN 203.A N SER 200.A O no hydrogen 3.312 N/A ASP 207.A N GLN 203.A O no hydrogen 2.709 N/A VAL 208.A N LEU 204.A O no hydrogen 2.939 N/A GLU 209.A N ILE 205.A O no hydrogen 2.907 N/A THR 211.A OG1 VAL 208.A O no hydrogen 3.074 N/A THR 211.A OG1 TYR 498.A OH no hydrogen 2.416 N/A GLU 213.A N HIS 210.A O no hydrogen 3.383 N/A LEU 218.A N ILE 215.A O no hydrogen 3.187 N/A TYR 219.A N LYS 216.A O no hydrogen 3.237 N/A TYR 219.A OH VAL 467.A O no hydrogen 3.400 N/A LEU 222.A N TYR 219.A O no hydrogen 3.252 N/A HIS 223.A N TYR 219.A O no hydrogen 2.906 N/A TYR 225.A N LEU 222.A O no hydrogen 3.401 N/A VAL 226.A N LEU 222.A O no hydrogen 3.034 N/A ARG 227.A NH1 SER 584.A OG no hydrogen 2.705 N/A ALA 228.A N TYR 225.A O no hydrogen 3.279 N/A LYS 229.A N VAL 226.A O no hydrogen 3.230 N/A ALA 233.A N ASN 232.A OD1 no hydrogen 2.839 N/A SER 236.A OG PRO 235.A O no hydrogen 2.870 N/A GLY 242.A N SER 239.A O no hydrogen 3.228 N/A CYS 243.A SG LEU 244.A O no hydrogen 3.909 N/A CYS 243.A SG GLY 468.A O no hydrogen 3.253 N/A TRP 257.A N GLY 430.A O no hydrogen 2.843 N/A THR 264.A N TYR 261.A O no hydrogen 3.333 N/A THR 264.A OG1 LEU 260.A O no hydrogen 3.543 N/A THR 264.A OG1 TYR 261.A O no hydrogen 3.382 N/A VAL 280.A N ASP 277.A O no hydrogen 3.411 N/A GLN 282.A N ASP 281.A OD1 no hydrogen 2.904 N/A ALA 283.A N MET 279.A O no hydrogen 2.760 N/A ASP 285.A N ASP 285.A OD1 no hydrogen 2.533 N/A ARG 288.A N ASP 285.A OD1 no hydrogen 3.405 N/A ARG 288.A NE ARG 288.A O no hydrogen 3.286 N/A ARG 288.A NH1 GLU 292.A OE1 no hydrogen 3.505 N/A PHE 290.A N GLN 287.A O no hydrogen 2.866 N/A LYS 291.A N GLN 287.A O no hydrogen 2.743 N/A LYS 295.A N LYS 291.A O no hydrogen 3.401 N/A PHE 296.A N GLU 292.A O no hydrogen 2.878 N/A VAL 298.A N GLU 294.A O no hydrogen 2.706 N/A SER 299.A N LYS 295.A O no hydrogen 2.951 N/A SER 299.A OG LYS 295.A O no hydrogen 3.049 N/A GLY 301.A N PHE 297.A O no hydrogen 2.946 N/A MET 305.A N ASN 304.A OD1 no hydrogen 2.671 N/A ASN 312.A ND2 GLY 308.A O no hydrogen 2.656 N/A SER 313.A OG ILE 340.A O no hydrogen 3.373 N/A GLN 322.A NE2 ASN 35.A OD1 no hydrogen 2.426 N/A CYS 326.A SG ASP 317.A OD1 no hydrogen 3.630 N/A THR 329.A N LEU 341.A O no hydrogen 2.787 N/A ASP 337.A N GLY 334.A O no hydrogen 3.292 N/A LEU 341.A N THR 329.A O no hydrogen 2.986 N/A THR 344.A OG1 MET 314.A O no hydrogen 3.436 N/A ASP 349.A N THR 347.A OG1 no hydrogen 3.393 N/A PHE 351.A N MET 348.A O no hydrogen 3.195 N/A ALA 354.A N ASP 350.A O no hydrogen 2.858 N/A HIS 355.A N PHE 351.A O no hydrogen 2.933 N/A HIS 356.A N LEU 352.A O no hydrogen 2.895 N/A HIS 356.A ND1 GLY 387.A O no hydrogen 2.788 N/A GLU 357.A N THR 353.A O no hydrogen 3.275 N/A GLU 357.A N ALA 354.A O no hydrogen 3.232 N/A HIS 360.A N GLU 357.A O no hydrogen 3.303 N/A GLN 362.A N MET 358.A O no hydrogen 3.419 N/A GLN 362.A NE2 PRO 303.A O no hydrogen 3.175 N/A TYR 363.A N GLY 359.A O no hydrogen 2.902 N/A ASP 364.A N HIS 360.A O no hydrogen 2.894 N/A MET 365.A N ILE 361.A O no hydrogen 3.145 N/A ALA 366.A N TYR 363.A O no hydrogen 3.079 N/A GLN 370.A N GLN 370.A OE1 no hydrogen 2.979 N/A GLN 370.A NE2 LEU 374.A O no hydrogen 3.683 N/A LEU 374.A N PRO 371.A O no hydrogen 3.159 N/A ARG 375.A N PHE 372.A O no hydrogen 3.513 N/A GLY 381.A N ASN 379.A OD1 no hydrogen 2.954 N/A GLU 388.A N GLU 384.A O no hydrogen 2.903 N/A ILE 389.A N ALA 385.A O no hydrogen 3.273 N/A SER 391.A OG GLU 388.A O no hydrogen 2.778 N/A SER 391.A OG GLU 388.A OE1 no hydrogen 3.492 N/A THR 396.A OG1 ASP 525.A OD1 no hydrogen 2.755 N/A HIS 399.A N THR 396.A O no hydrogen 3.320 N/A LEU 400.A N THR 396.A O no hydrogen 3.154 N/A LYS 401.A N PRO 397.A O no hydrogen 2.888 N/A SER 402.A OG LYS 398.A O no hydrogen 3.045 N/A GLY 404.A N LYS 401.A O no hydrogen 3.412 N/A GLU 415.A N GLU 415.A OE1 no hydrogen 2.888 N/A LYS 423.A NZ PHE 420.A O no hydrogen 2.940 N/A GLN 424.A N GLN 424.A OE1 no hydrogen 2.854 N/A THR 431.A OG1 ARG 255.A O no hydrogen 3.097 N/A LEU 432.A N VAL 429.A O no hydrogen 2.684 N/A PHE 434.A N THR 431.A O no hydrogen 3.223 N/A THR 435.A N LEU 432.A O no hydrogen 3.138 N/A THR 435.A OG1 THR 431.A O no hydrogen 2.983 N/A THR 435.A OG1 LEU 432.A O no hydrogen 3.558 N/A TYR 436.A OH GLU 209.A OE1 no hydrogen 3.057 N/A MET 456.A N GLU 477.A OE2 no hydrogen 3.176 N/A TRP 459.A N MET 456.A O no hydrogen 3.013 N/A TRP 459.A NE1 ASP 481.A OD2 no hydrogen 2.939 N/A GLU 461.A N GLU 461.A OE1 no hydrogen 2.786 N/A LYS 463.A N TRP 460.A O no hydrogen 3.459 N/A GLY 468.A N LYS 463.A O no hydrogen 2.904 N/A THR 478.A N ASP 476.A OD1 no hydrogen 2.927 N/A THR 478.A OG1 ASP 476.A OD1 no hydrogen 2.591 N/A TYR 479.A N ASP 476.A O no hydrogen 3.398 N/A CYS 480.A SG GLY 155.A O no hydrogen 3.322 N/A CYS 480.A SG LEU 158.A O no hydrogen 3.323 N/A SER 484.A N ASP 481.A O no hydrogen 2.955 N/A SER 489.A OG LEU 485.A O no hydrogen 3.373 N/A SER 489.A OG PHE 486.A O no hydrogen 3.110 N/A SER 489.A OG ASN 490.A OD1 no hydrogen 3.029 N/A ASP 491.A N VAL 488.A O no hydrogen 2.986 N/A TYR 492.A N HIS 487.A O no hydrogen 2.856 N/A ARG 496.A NH2 SER 493.A O no hydrogen 2.461 N/A TYR 498.A OH THR 211.A OG1 no hydrogen 2.416 N/A THR 499.A N ILE 495.A O no hydrogen 3.248 N/A THR 499.A OG1 ILE 495.A O no hydrogen 3.403 N/A THR 499.A OG1 ARG 496.A O no hydrogen 3.353 N/A ARG 500.A NE THR 501.A OG1 no hydrogen 3.416 N/A ARG 500.A NH1 THR 501.A OG1 no hydrogen 3.369 N/A TYR 503.A N THR 499.A O no hydrogen 3.317 N/A PHE 507.A N GLN 504.A O no hydrogen 3.317 N/A GLN 508.A N GLN 504.A O no hydrogen 2.939 N/A GLU 509.A N PHE 505.A O no hydrogen 2.911 N/A ALA 510.A N PHE 507.A O no hydrogen 3.385 N/A CYS 512.A SG LYS 516.A O no hydrogen 3.319 N/A LYS 516.A N CYS 512.A O no hydrogen 3.222 N/A LYS 516.A NZ GLU 509.A O no hydrogen 3.018 N/A ALA 532.A N SER 529.A O no hydrogen 3.054 N/A GLY 533.A N THR 530.A O no hydrogen 3.193 N/A LYS 544.A NZ GLY 377.A O no hydrogen 2.681 N/A LYS 544.A NZ ALA 378.A O no hydrogen 3.153 N/A THR 549.A OG1 TYR 197.A O no hydrogen 2.706 N/A ASN 554.A ND2 ASN 538.A O no hydrogen 2.814 N/A ASN 560.A ND2 LYS 559.A O no hydrogen 2.848 N/A LEU 566.A N VAL 563.A O no hydrogen 3.165 N/A LEU 567.A N ARG 564.A O no hydrogen 3.373 N/A LEU 573.A N PHE 570.A O no hydrogen 3.104 N/A PHE 574.A N PHE 570.A O no hydrogen 2.701 N/A THR 575.A N GLU 571.A O no hydrogen 3.487 N/A THR 575.A OG1 GLU 571.A O no hydrogen 3.151 N/A LEU 577.A N PHE 574.A O no hydrogen 3.233 N/A LYS 578.A N PHE 574.A O no hydrogen 2.919 N/A GLN 580.A NE2 ALA 224.A O no hydrogen 3.251 N/A SER 584.A OG ALA 224.A O no hydrogen 3.505 N/A PHE 585.A N SER 584.A OG no hydrogen 2.618 N/A TRP 588.A NE1 ARG 464.A O no hydrogen 2.475 N/A TYR 595.A OH GLU 471.A OE2 no hydrogen 3.059 N/A