Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8wpe_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N TYR 42.A OH no hydrogen 2.818 N/A SER 3.A N ASP 6.A OD2 no hydrogen 3.010 N/A SER 3.A OG ASP 6.A OD2 no hydrogen 2.803 N/A ASP 6.A N SER 3.A OG no hydrogen 3.402 N/A LEU 7.A N SER 3.A O no hydrogen 3.175 N/A THR 8.A N SER 4.A O no hydrogen 2.927 N/A THR 8.A OG1 SER 4.A O no hydrogen 2.945 N/A ASN 9.A N ALA 5.A O no hydrogen 2.905 N/A LEU 10.A N ASP 6.A O no hydrogen 2.899 N/A LYS 11.A N LEU 7.A O no hydrogen 2.886 N/A GLU 12.A N THR 8.A O no hydrogen 2.947 N/A LEU 13.A N ASN 9.A O no hydrogen 2.883 N/A LEU 14.A N LEU 10.A O no hydrogen 2.894 N/A SER 15.A N LYS 11.A O no hydrogen 2.918 N/A SER 15.A OG GLU 12.A O no hydrogen 2.766 N/A LEU 16.A N GLU 12.A O no hydrogen 2.931 N/A TYR 17.A N LEU 13.A O no hydrogen 2.872 N/A LYS 18.A N LEU 14.A O no hydrogen 2.928 N/A SER 19.A OG SER 15.A O no hydrogen 3.128 N/A SER 19.A OG SER 23.A OG no hydrogen 3.390 N/A ARG 21.A NH1 GLU 54.A O no hydrogen 2.976 N/A PHE 22.A N SER 19.A O no hydrogen 3.421 N/A SER 23.A OG SER 19.A O no hydrogen 2.562 N/A ASP 24.A N ASP 24.A OD1 no hydrogen 2.439 N/A SER 25.A OG GLY 101.A O no hydrogen 3.316 N/A ILE 28.A N ASP 24.A O no hydrogen 2.776 N/A GLU 29.A N SER 25.A O no hydrogen 2.910 N/A LYS 30.A N VAL 26.A O no hydrogen 2.915 N/A TYR 31.A N ALA 27.A O no hydrogen 2.856 N/A TYR 31.A OH GLN 48.A O no hydrogen 2.866 N/A ASN 32.A N ILE 28.A O no hydrogen 2.869 N/A ASN 32.A ND2 VAL 50.A O no hydrogen 2.918 N/A SER 33.A N GLU 29.A O no hydrogen 2.906 N/A SER 33.A OG GLU 29.A O no hydrogen 3.559 N/A SER 33.A OG LYS 30.A O no hydrogen 2.843 N/A LEU 34.A N LYS 30.A O no hydrogen 2.952 N/A VAL 35.A N TYR 31.A O no hydrogen 2.838 N/A GLU 36.A N ASN 32.A O no hydrogen 2.886 N/A TRP 37.A N SER 33.A O no hydrogen 2.866 N/A GLY 38.A N LEU 34.A O no hydrogen 2.895 N/A THR 39.A N VAL 35.A O no hydrogen 2.814 N/A THR 39.A OG1 VAL 35.A O no hydrogen 2.391 N/A SER 40.A N GLU 36.A O no hydrogen 2.884 N/A SER 40.A OG GLU 36.A O no hydrogen 2.963 N/A THR 41.A N TRP 37.A O no hydrogen 2.900 N/A THR 41.A OG1 TRP 37.A O no hydrogen 2.801 N/A TYR 42.A N GLY 38.A O no hydrogen 2.846 N/A TYR 42.A OH MET 1.A O no hydrogen 3.149 N/A LYS 49.A NZ ASN 32.A O no hydrogen 3.512 N/A VAL 50.A N ASN 32.A OD1 no hydrogen 2.941 N/A TYR 60.A N ILE 57.A O no hydrogen 3.223 N/A TYR 61.A OH ASP 140.A OD2 no hydrogen 2.642 N/A ASP 62.A N ARG 207.A O no hydrogen 2.597 N/A ASN 66.A ND2 ASP 211.A O no hydrogen 3.006 N/A ILE 71.A N THR 174.A O no hydrogen 2.714 N/A GLY 74.A N ILE 170.A O no hydrogen 2.825 N/A TYR 76.A N ILE 168.A O no hydrogen 3.365 N/A TYR 76.A OH ASP 72.A O no hydrogen 2.467 N/A ILE 77.A N ILE 200.A O no hydrogen 3.267 N/A PHE 78.A N LEU 166.A O no hydrogen 3.178 N/A LEU 79.A N SER 198.A O no hydrogen 2.549 N/A VAL 81.A N SER 196.A O no hydrogen 2.787 N/A TYR 82.A OH ASP 190.A OD2 no hydrogen 2.445 N/A PHE 83.A N PRO 193.A O no hydrogen 3.178 N/A SER 85.A N LEU 131.A O no hydrogen 3.142 N/A SER 85.A OG ASP 249.A OD1 no hydrogen 2.736 N/A SER 85.A OG ASP 249.A OD2 no hydrogen 2.663 N/A PHE 87.A N PHE 129.A O no hydrogen 3.141 N/A ILE 88.A N VAL 96.A O no hydrogen 2.782 N/A TYR 89.A N LEU 127.A O no hydrogen 3.079 N/A GLY 92.A N SER 90.A OG no hydrogen 3.212 N/A LYS 93.A N SER 90.A O no hydrogen 3.121 N/A LYS 93.A NZ ASN 115.A O no hydrogen 3.357 N/A LYS 93.A NZ ASP 119.A OD1 no hydrogen 3.354 N/A VAL 96.A N ILE 88.A O no hydrogen 2.771 N/A LEU 98.A N VAL 86.A O no hydrogen 3.309 N/A GLY 99.A N THR 55.A O no hydrogen 3.214 N/A SER 100.A OG GLU 97.A OE1 no hydrogen 2.631 N/A SER 100.A OG ASN 102.A OD1 no hydrogen 3.533 N/A GLY 101.A N GLU 97.A O no hydrogen 3.216 N/A GLU 109.A N GLU 109.A OE1 no hydrogen 2.711 N/A ARG 111.A N PRO 107.A O no hydrogen 3.268 N/A ARG 111.A NH1 LYS 93.A O no hydrogen 2.706 N/A SER 112.A N ASP 108.A O no hydrogen 2.903 N/A ALA 113.A N GLU 109.A O no hydrogen 2.935 N/A CYS 114.A N ILE 110.A O no hydrogen 2.930 N/A CYS 114.A SG ILE 110.A O no hydrogen 3.201 N/A ASN 115.A N ARG 111.A O no hydrogen 2.887 N/A LYS 116.A N SER 112.A O no hydrogen 2.946 N/A VAL 117.A N ALA 113.A O no hydrogen 2.915 N/A LEU 118.A N CYS 114.A O no hydrogen 2.938 N/A ASP 119.A N ASN 115.A O no hydrogen 2.883 N/A SER 120.A N LYS 116.A O no hydrogen 2.935 N/A SER 120.A N VAL 117.A O no hydrogen 3.097 N/A SER 120.A OG VAL 117.A O no hydrogen 2.347 N/A ASP 121.A N VAL 117.A O no hydrogen 3.331 N/A GLY 123.A N ASP 121.A OD1 no hydrogen 3.058 N/A ASP 125.A N ILE 142.A O no hydrogen 2.894 N/A LEU 127.A N TYR 89.A O no hydrogen 3.477 N/A ARG 128.A N ASP 140.A O no hydrogen 2.858 N/A PHE 129.A N PHE 87.A O no hydrogen 2.514 N/A VAL 130.A N ILE 137.A O no hydrogen 2.607 N/A LEU 131.A N SER 85.A O no hydrogen 3.099 N/A ASN 134.A N TYR 307.A OH no hydrogen 3.078 N/A ILE 137.A N VAL 130.A O no hydrogen 3.321 N/A MET 138.A N ASN 161.A O no hydrogen 3.366 N/A ASP 140.A N ARG 128.A O no hydrogen 3.298 N/A ALA 141.A N ASP 140.A OD1 no hydrogen 2.712 N/A ILE 142.A N PHE 126.A O no hydrogen 3.332 N/A TYR 145.A OH ASP 121.A OD1 no hydrogen 2.439 N/A ASN 150.A N SER 147.A O no hydrogen 3.354 N/A PHE 152.A N PRO 148.A O no hydrogen 2.925 N/A LYS 153.A N VAL 149.A O no hydrogen 2.942 N/A LEU 154.A N ASN 150.A O no hydrogen 2.891 N/A ALA 155.A N ILE 151.A O no hydrogen 2.860 N/A SER 156.A N PHE 152.A O no hydrogen 2.878 N/A SER 156.A OG PHE 152.A O no hydrogen 2.642 N/A GLU 157.A N LYS 153.A O no hydrogen 2.985 N/A GLY 159.A N ALA 155.A O no hydrogen 3.033 N/A LEU 160.A N ALA 155.A O no hydrogen 3.099 N/A ASN 164.A ND2 PHE 188.A O no hydrogen 3.201 N/A ILE 168.A N TYR 76.A O no hydrogen 3.000 N/A ILE 170.A N GLY 74.A O no hydrogen 3.190 N/A GLU 171.A N GLU 172.A OE2 no hydrogen 3.121 N/A PHE 176.A N PHE 69.A O no hydrogen 2.812 N/A LEU 180.A N ASP 177.A OD1 no hydrogen 3.141 N/A TYR 181.A N ASP 177.A O no hydrogen 3.225 N/A SER 182.A N ASP 178.A O no hydrogen 2.926 N/A SER 182.A OG ASP 178.A O no hydrogen 3.148 N/A ILE 183.A N GLU 179.A O no hydrogen 2.894 N/A MET 184.A N LEU 180.A O no hydrogen 2.901 N/A GLU 185.A N TYR 181.A O no hydrogen 2.906 N/A ARG 186.A N SER 182.A O no hydrogen 2.971 N/A SER 187.A N ILE 183.A O no hydrogen 2.807 N/A SER 187.A OG ILE 183.A O no hydrogen 2.437 N/A PHE 188.A N MET 184.A O no hydrogen 2.954 N/A LYS 194.A NZ ASP 190.A O no hydrogen 3.004 N/A LYS 194.A NZ PHE 192.A O no hydrogen 2.956 N/A ILE 195.A N VAL 81.A O no hydrogen 2.780 N/A SER 196.A N VAL 81.A O no hydrogen 3.202 N/A ILE 197.A N VAL 210.A O no hydrogen 3.249 N/A SER 198.A N LEU 79.A O no hydrogen 2.786 N/A TYR 199.A N GLN 208.A O no hydrogen 3.256 N/A ILE 200.A N ILE 77.A O no hydrogen 3.323 N/A LYS 201.A NZ TYR 76.A OH no hydrogen 2.653 N/A LYS 206.A NZ ASP 59.A O no hydrogen 3.161 N/A VAL 210.A N ILE 197.A O no hydrogen 2.977 N/A SER 216.A N VAL 266.A O no hydrogen 2.654 N/A GLU 221.A N ILE 238.A O no hydrogen 2.665 N/A SER 222.A N ILE 238.A O no hydrogen 3.375 N/A LYS 224.A N SER 236.A O no hydrogen 2.757 N/A ASP 226.A N ILE 234.A O no hydrogen 3.252 N/A ILE 228.A N ILE 232.A O no hydrogen 3.286 N/A ASN 231.A ND2 LYS 310.A O no hydrogen 3.083 N/A ASN 231.A ND2 LEU 361.A O no hydrogen 3.018 N/A PHE 233.A N PHE 308.A O no hydrogen 2.506 N/A ILE 234.A N ASP 226.A O no hydrogen 2.829 N/A SER 236.A N LYS 224.A O no hydrogen 3.002 N/A SER 236.A OG LYS 224.A O no hydrogen 2.372 N/A SER 236.A OG ASP 226.A OD1 no hydrogen 2.892 N/A VAL 237.A N ILE 245.A O no hydrogen 3.195 N/A ILE 238.A N SER 222.A O no hydrogen 2.868 N/A THR 239.A N LYS 243.A O no hydrogen 3.132 N/A THR 239.A OG1 SER 241.A OG no hydrogen 2.848 N/A THR 239.A OG1 LYS 243.A O no hydrogen 3.185 N/A LYS 240.A N TYR 219.A O no hydrogen 3.302 N/A SER 241.A OG THR 239.A OG1 no hydrogen 2.848 N/A GLY 242.A N THR 239.A O no hydrogen 3.443 N/A ILE 245.A N VAL 237.A O no hydrogen 2.868 N/A LEU 246.A N SER 273.A O no hydrogen 3.087 N/A LYS 248.A NZ PHE 83.A O no hydrogen 2.460 N/A VAL 250.A N LYS 306.A O no hydrogen 2.829 N/A ILE 254.A N VAL 250.A O no hydrogen 2.996 N/A ARG 255.A N ASP 251.A O no hydrogen 2.876 N/A ARG 255.A NE ASP 279.A OD1 no hydrogen 2.981 N/A SER 256.A N HIS 252.A O no hydrogen 3.033 N/A SER 256.A OG HIS 252.A O no hydrogen 2.651 N/A SER 256.A OG LEU 253.A O no hydrogen 3.283 N/A LYS 257.A N ILE 254.A O no hydrogen 3.055 N/A LYS 257.A NZ GLY 280.A O no hydrogen 2.816 N/A VAL 258.A N LEU 253.A O no hydrogen 3.231 N/A HIS 261.A N ILE 220.A O no hydrogen 3.010 N/A THR 262.A OG1 ARG 259.A O no hydrogen 2.691 N/A VAL 266.A N SER 216.A O no hydrogen 2.867 N/A LYS 267.A N ILE 274.A O no hydrogen 2.439 N/A LYS 267.A NZ ASP 211.A OD2 no hydrogen 2.861 N/A LYS 268.A N LYS 214.A O no hydrogen 3.203 N/A LYS 269.A N PHE 272.A O no hydrogen 3.130 N/A LYS 269.A NZ TYR 181.A OH no hydrogen 2.595 N/A LYS 269.A NZ ILE 195.A O no hydrogen 2.675 N/A LYS 269.A NZ ASP 211.A OD1 no hydrogen 2.926 N/A LYS 269.A NZ PHE 212.A O no hydrogen 2.964 N/A ILE 274.A N LYS 267.A O no hydrogen 2.985 N/A TYR 276.A N LYS 265.A O no hydrogen 2.980 N/A GLY 280.A N ARG 255.A O no hydrogen 2.740 N/A THR 283.A OG1 GLY 282.A O no hydrogen 2.653 N/A ARG 286.A NH2 ASP 251.A OD1 no hydrogen 3.397 N/A VAL 289.A N THR 285.A O no hydrogen 3.076 N/A ILE 290.A N ARG 286.A O no hydrogen 2.934 N/A LYS 291.A N GLY 287.A O no hydrogen 2.886 N/A LYS 291.A NZ GLU 288.A OE2 no hydrogen 3.278 N/A ARG 292.A N GLU 288.A O no hydrogen 2.903 N/A ARG 292.A NH1 VAL 258.A O no hydrogen 2.823 N/A ILE 293.A N VAL 289.A O no hydrogen 2.934 N/A ILE 294.A N ILE 290.A O no hydrogen 2.922 N/A ASP 295.A N LYS 291.A O no hydrogen 2.898 N/A THR 296.A N ARG 292.A O no hydrogen 2.905 N/A THR 296.A OG1 GLU 260.A OE2 no hydrogen 2.570 N/A ILE 297.A N ILE 293.A O no hydrogen 2.958 N/A GLY 298.A N ILE 294.A O no hydrogen 2.693 N/A ARG 299.A NH2 GLU 401.A OE1 no hydrogen 2.806 N/A TYR 301.A N GLY 298.A O no hydrogen 3.475 N/A TYR 302.A N SER 309.A O no hydrogen 3.076 N/A TYR 302.A OH GLY 362.A O no hydrogen 2.818 N/A ASN 304.A N TYR 307.A O no hydrogen 2.842 N/A ASN 304.A ND2 SER 309.A OG no hydrogen 3.162 N/A TYR 307.A N ASN 304.A O no hydrogen 3.193 N/A PHE 308.A N PHE 233.A O no hydrogen 3.133 N/A SER 309.A N TYR 302.A O no hydrogen 2.999 N/A LYS 310.A N ASN 231.A O no hydrogen 3.168 N/A LYS 310.A N ASN 231.A OD1 no hydrogen 3.117 N/A ALA 314.A N GLN 409.A OE1 no hydrogen 2.722 N/A GLY 315.A N GLN 318.A OE1 no hydrogen 2.937 N/A THR 320.A N LEU 316.A O no hydrogen 2.954 N/A THR 320.A OG1 LEU 316.A O no hydrogen 3.021 N/A THR 320.A OG1 LYS 317.A O no hydrogen 2.470 N/A THR 320.A OG1 GLU 327.A OE2 no hydrogen 2.527 N/A ASN 321.A N LYS 317.A O no hydrogen 2.898 N/A LYS 322.A N GLN 318.A O no hydrogen 2.870 N/A LYS 322.A NZ GLU 359.A OE1 no hydrogen 3.193 N/A LEU 323.A N LEU 319.A O no hydrogen 2.933 N/A ASP 324.A N ASN 321.A O no hydrogen 3.344 N/A ILE 325.A N THR 320.A O no hydrogen 3.095 N/A ASN 326.A N GLU 337.A OE2 no hydrogen 2.801 N/A CYS 328.A SG GLU 337.A OE1 no hydrogen 3.273 N/A ALA 329.A N GLU 333.A OE2 no hydrogen 2.932 N/A THR 330.A N GLU 333.A OE2 no hydrogen 3.264 N/A VAL 335.A N VAL 331.A O no hydrogen 2.949 N/A ASP 336.A N ASP 332.A O no hydrogen 2.961 N/A GLU 337.A N GLU 333.A O no hydrogen 2.884 N/A ILE 338.A N LEU 334.A O no hydrogen 2.933 N/A ASN 339.A N VAL 335.A O no hydrogen 2.894 N/A LYS 340.A N ASP 336.A O no hydrogen 2.951 N/A SER 341.A N GLU 337.A O no hydrogen 3.031 N/A SER 341.A OG GLU 337.A O no hydrogen 3.196 N/A SER 341.A OG ILE 338.A O no hydrogen 3.562 N/A LYS 345.A N SER 341.A O no hydrogen 3.114 N/A LYS 345.A NZ ASN 339.A OD1 no hydrogen 3.150 N/A ARG 346.A N GLY 342.A O no hydrogen 2.906 N/A LYS 347.A N THR 343.A O no hydrogen 2.911 N/A ILE 348.A N VAL 344.A O no hydrogen 2.910 N/A LYS 349.A N LYS 345.A O no hydrogen 2.944 N/A ASN 350.A N ARG 346.A O no hydrogen 2.926 N/A GLN 351.A N LYS 347.A O no hydrogen 2.890 N/A GLN 351.A NE2 GLU 359.A OE1 no hydrogen 2.413 N/A ASP 355.A N SER 352.A OG no hydrogen 3.238 N/A LEU 356.A N SER 352.A O no hydrogen 2.973 N/A SER 357.A N VAL 353.A O no hydrogen 2.932 N/A SER 357.A OG VAL 353.A O no hydrogen 2.752 N/A ARG 358.A N PHE 354.A O no hydrogen 2.833 N/A ARG 358.A NH1 TYR 363.A O no hydrogen 3.167 N/A GLU 359.A N ASP 355.A O no hydrogen 2.934 N/A CYS 360.A N LEU 356.A O no hydrogen 2.901 N/A TYR 363.A N ARG 358.A O no hydrogen 3.029 N/A ILE 369.A N GLU 365.A O no hydrogen 2.932 N/A THR 370.A N ALA 366.A O no hydrogen 2.918 N/A THR 370.A OG1 ALA 366.A O no hydrogen 2.596 N/A LEU 371.A N ASP 367.A O no hydrogen 2.916 N/A VAL 372.A N PHE 368.A O no hydrogen 2.898 N/A ASN 373.A N ILE 369.A O no hydrogen 2.917 N/A ASN 374.A N LEU 371.A O no hydrogen 3.215 N/A MET 375.A N VAL 372.A O no hydrogen 3.321 N/A ARG 376.A N ASN 388.A O no hydrogen 2.571 N/A LYS 378.A N ASN 386.A O no hydrogen 3.026 N/A GLU 380.A N LYS 383.A O no hydrogen 3.188 N/A LYS 383.A NZ ASP 419.A OD2 no hydrogen 3.063 N/A VAL 384.A N ASN 415.A OD1 no hydrogen 3.309 N/A ASN 386.A N LYS 378.A O no hydrogen 3.371 N/A ASN 388.A N ARG 376.A O no hydrogen 3.187 N/A ILE 389.A N ASN 388.A OD1 no hydrogen 2.890 N/A GLU 390.A N ASN 374.A O no hydrogen 2.887 N/A ASN 391.A N ASN 374.A O no hydrogen 3.057 N/A CYS 394.A SG ASN 391.A O no hydrogen 3.463 N/A LEU 395.A N THR 392.A O no hydrogen 3.300 N/A ASN 397.A N CYS 394.A O no hydrogen 3.039 N/A SER 399.A OG ASP 367.A OD2 no hydrogen 3.367 N/A GLU 401.A N ASN 397.A O no hydrogen 2.868 N/A THR 402.A N PRO 398.A O no hydrogen 2.890 N/A THR 402.A OG1 ARG 299.A O no hydrogen 3.058 N/A THR 402.A OG1 PRO 398.A O no hydrogen 2.468 N/A ILE 403.A N SER 399.A O no hydrogen 2.961 N/A TYR 404.A N ILE 400.A O no hydrogen 2.860 N/A GLY 405.A N GLU 401.A O no hydrogen 2.896 N/A ASN 406.A N THR 402.A O no hydrogen 2.982 N/A PHE 407.A N TYR 404.A O no hydrogen 3.419 N/A PHE 410.A N ASN 406.A O no hydrogen 3.003 N/A VAL 411.A N PHE 407.A O no hydrogen 2.807 N/A SER 412.A N ASN 408.A O no hydrogen 2.988 N/A ILE 413.A N GLN 409.A O no hydrogen 3.001 N/A PHE 414.A N PHE 410.A O no hydrogen 2.798 N/A ASN 415.A N VAL 411.A O no hydrogen 2.872 N/A THR 416.A N SER 412.A O no hydrogen 2.990 N/A THR 416.A OG1 SER 412.A O no hydrogen 2.741 N/A VAL 417.A N ILE 413.A O no hydrogen 2.877 N/A THR 418.A N PHE 414.A O no hydrogen 2.871 N/A THR 418.A OG1 PHE 414.A O no hydrogen 2.516 N/A ASP 419.A N ASN 415.A O no hydrogen 2.917 N/A VAL 420.A N THR 416.A O no hydrogen 2.941 N/A LYS 421.A N VAL 417.A O no hydrogen 2.884 N/A LYS 422.A N THR 418.A O no hydrogen 2.865 N/A ARG 423.A N ASP 419.A O no hydrogen 2.971 N/A LEU 424.A N VAL 420.A O no hydrogen 2.922 N/A PHE 425.A N LYS 421.A O no hydrogen 3.510 N/A