Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8wns_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 5.A NZ LEU 3.A O no hydrogen 3.421 N/A GLU 7.A N GLU 7.A OE1 no hydrogen 2.701 N/A LEU 9.A N LYS 5.A O no hydrogen 2.615 N/A LYS 10.A N GLU 6.A O no hydrogen 3.052 N/A VAL 11.A N GLU 7.A O no hydrogen 3.127 N/A ALA 12.A N LEU 8.A O no hydrogen 2.955 N/A GLY 13.A N LEU 9.A O no hydrogen 2.821 N/A SER 14.A N VAL 11.A O no hydrogen 3.511 N/A SER 14.A OG LYS 10.A O no hydrogen 2.782 N/A ARG 21.A N TRP 17.A O no hydrogen 3.125 N/A TRP 22.A N VAL 18.A O no hydrogen 3.254 N/A ALA 23.A N ARG 19.A O no hydrogen 3.049 N/A LEU 24.A N THR 20.A O no hydrogen 2.919 N/A LEU 25.A N ARG 21.A O no hydrogen 2.741 N/A LEU 26.A N TRP 22.A O no hydrogen 2.862 N/A LEU 27.A N ALA 23.A O no hydrogen 2.825 N/A PHE 28.A N LEU 24.A O no hydrogen 2.831 N/A TRP 29.A N LEU 25.A O no hydrogen 3.001 N/A LEU 30.A N LEU 26.A O no hydrogen 2.888 N/A GLY 31.A N LEU 27.A O no hydrogen 2.953 N/A TRP 32.A N PHE 28.A O no hydrogen 3.114 N/A LEU 33.A N TRP 29.A O no hydrogen 3.091 N/A GLY 34.A N LEU 30.A O no hydrogen 3.071 N/A MET 35.A N GLY 31.A O no hydrogen 2.893 N/A LEU 36.A N TRP 32.A O no hydrogen 2.998 N/A ALA 37.A N LEU 33.A O no hydrogen 2.999 N/A GLY 38.A N GLY 34.A O no hydrogen 2.848 N/A ALA 39.A N MET 35.A O no hydrogen 3.290 N/A VAL 40.A N LEU 36.A O no hydrogen 3.200 N/A VAL 41.A N ALA 37.A O no hydrogen 2.889 N/A ILE 42.A N GLY 38.A O no hydrogen 2.784 N/A ILE 43.A N ALA 39.A O no hydrogen 2.721 N/A VAL 44.A N VAL 40.A O no hydrogen 2.847 N/A ARG 45.A N VAL 41.A O no hydrogen 3.032 N/A ALA 46.A N ILE 43.A O no hydrogen 3.297 N/A ARG 50.A N ASP 397.A OD2 no hydrogen 3.137 N/A TRP 57.A NE1 ASP 212.A O no hydrogen 3.007 N/A HIS 59.A ND1 TRP 58.A O no hydrogen 2.606 N/A LEU 63.A N PRO 303.A O no hydrogen 2.931 N/A TYR 64.A N GLY 97.A O no hydrogen 3.031 N/A TYR 64.A OH GLU 310.A OE1 no hydrogen 2.725 N/A TYR 64.A OH GLU 310.A OE2 no hydrogen 2.643 N/A ARG 65.A N PHE 305.A O no hydrogen 2.702 N/A ARG 65.A NH1 SER 275.A O no hydrogen 2.953 N/A ARG 65.A NH2 SER 306.A OG no hydrogen 3.293 N/A ILE 66.A N VAL 99.A O no hydrogen 3.156 N/A GLN 70.A N ASP 68.A OD1 no hydrogen 2.941 N/A ALA 71.A N ASP 68.A OD2 no hydrogen 3.203 N/A PHE 72.A N LEU 69.A O no hydrogen 3.310 N/A GLN 73.A NE2 ASN 79.A O no hydrogen 3.430 N/A GLY 74.A N GLN 70.A O no hydrogen 2.930 N/A ASN 79.A N ALA 77.A O no hydrogen 2.680 N/A LEU 80.A N PHE 123.A O no hydrogen 3.254 N/A LEU 83.A N ASN 79.A O no hydrogen 3.071 N/A LYS 84.A N LEU 80.A O no hydrogen 3.097 N/A LYS 84.A N ALA 81.A O no hydrogen 3.156 N/A LYS 84.A NZ SER 131.A OG no hydrogen 2.775 N/A GLY 85.A N GLY 82.A O no hydrogen 3.235 N/A ARG 86.A N LEU 83.A O no hydrogen 2.852 N/A TYR 89.A N ASP 88.A OD1 no hydrogen 2.554 N/A TYR 89.A OH GLU 310.A OE2 no hydrogen 2.444 N/A LEU 90.A N ARG 86.A O no hydrogen 3.073 N/A SER 91.A N LEU 87.A O no hydrogen 2.983 N/A SER 92.A N ASP 88.A O no hydrogen 3.229 N/A SER 92.A OG TYR 89.A O no hydrogen 2.317 N/A LEU 93.A N TYR 89.A O no hydrogen 3.260 N/A LYS 94.A N LEU 90.A O no hydrogen 2.916 N/A LYS 94.A NZ ASP 367.A OD2 no hydrogen 2.433 N/A LYS 96.A N ALA 62.A O no hydrogen 3.180 N/A LEU 98.A N ARG 142.A O no hydrogen 3.216 N/A LEU 100.A N ILE 144.A O no hydrogen 2.745 N/A HIS 104.A NE2 THR 148.A O no hydrogen 2.511 N/A LYS 105.A N GLN 118.A O no hydrogen 3.235 N/A ASN 106.A ND2 ASN 150.A OD1 no hydrogen 3.233 N/A GLN 107.A N GLN 113.A OE1 no hydrogen 3.016 N/A THR 114.A N ASP 110.A O no hydrogen 2.841 N/A THR 114.A OG1 ASN 106.A OD1 no hydrogen 3.225 N/A THR 114.A OG1 ASP 110.A O no hydrogen 2.586 N/A ASP 115.A N LYS 105.A O no hydrogen 3.305 N/A LEU 117.A N ASP 115.A OD1 no hydrogen 2.735 N/A ASP 120.A N ILE 103.A O no hydrogen 3.181 N/A PHE 123.A N ASP 120.A O no hydrogen 3.281 N/A GLY 124.A N PRO 121.A O no hydrogen 3.120 N/A SER 125.A N ASP 128.A OD2 no hydrogen 2.555 N/A SER 125.A OG GLU 127.A OE1 no hydrogen 3.464 N/A SER 125.A OG ASP 128.A OD1 no hydrogen 3.082 N/A SER 125.A OG ASP 128.A OD2 no hydrogen 2.931 N/A PHE 129.A N SER 125.A O no hydrogen 3.344 N/A ASP 130.A N LYS 126.A O no hydrogen 2.975 N/A SER 131.A N GLU 127.A O no hydrogen 2.844 N/A LEU 132.A N ASP 128.A O no hydrogen 2.854 N/A LEU 133.A N PHE 129.A O no hydrogen 3.050 N/A GLN 134.A N ASP 130.A O no hydrogen 3.282 N/A GLN 134.A NE2 ASP 130.A O no hydrogen 3.299 N/A SER 135.A N SER 131.A O no hydrogen 3.252 N/A ALA 136.A N LEU 132.A O no hydrogen 2.873 N/A LYS 137.A N LEU 133.A O no hydrogen 2.520 N/A LYS 138.A N GLN 134.A O no hydrogen 2.749 N/A LYS 139.A N SER 135.A O no hydrogen 3.096 N/A SER 140.A N LYS 137.A O no hydrogen 3.046 N/A SER 140.A OG LYS 139.A O no hydrogen 2.488 N/A ILE 141.A N ALA 136.A O no hydrogen 2.760 N/A ILE 144.A N LEU 98.A O no hydrogen 2.731 N/A LEU 147.A N GLN 185.A O no hydrogen 2.989 N/A THR 148.A N ASP 146.A OD1 no hydrogen 3.185 N/A THR 148.A OG1 ASP 146.A OD1 no hydrogen 3.240 N/A ASN 150.A N SER 156.A O no hydrogen 3.097 N/A ASN 150.A ND2 ASN 155.A O no hydrogen 2.381 N/A TYR 151.A OH HIS 104.A O no hydrogen 2.226 N/A ARG 152.A NE ASN 106.A O no hydrogen 3.054 N/A GLU 154.A N GLU 154.A OE1 no hydrogen 2.289 N/A TRP 157.A NE1 ASP 188.A O no hydrogen 2.437 N/A THR 164.A N GLN 161.A OE1 no hydrogen 3.460 N/A THR 164.A N ASP 163.A OD1 no hydrogen 3.022 N/A THR 164.A OG1 GLN 161.A OE1 no hydrogen 2.375 N/A ALA 166.A N VAL 162.A O no hydrogen 2.926 N/A THR 167.A N ASP 163.A O no hydrogen 3.114 N/A THR 167.A OG1 THR 164.A O no hydrogen 2.616 N/A LYS 168.A N THR 164.A O no hydrogen 2.985 N/A LYS 168.A NZ THR 114.A O no hydrogen 2.903 N/A VAL 169.A N VAL 165.A O no hydrogen 2.978 N/A LYS 170.A N ALA 166.A O no hydrogen 2.985 N/A ASP 171.A N THR 167.A O no hydrogen 2.838 N/A ALA 172.A N LYS 168.A O no hydrogen 2.845 N/A LEU 173.A N VAL 169.A O no hydrogen 2.838 N/A GLU 174.A N LYS 170.A O no hydrogen 3.188 N/A PHE 175.A N ASP 171.A O no hydrogen 3.252 N/A TRP 176.A N ALA 172.A O no hydrogen 2.791 N/A TRP 176.A NE1 LEU 116.A O no hydrogen 3.148 N/A LEU 177.A N LEU 173.A O no hydrogen 2.820 N/A ALA 179.A N PHE 175.A O no hydrogen 3.024 N/A GLY 180.A N TRP 176.A O no hydrogen 3.018 N/A VAL 181.A N TRP 176.A O no hydrogen 3.360 N/A ASP 182.A N VAL 143.A O no hydrogen 3.127 N/A PHE 184.A N LEU 214.A O no hydrogen 2.974 N/A VAL 186.A N ILE 216.A O no hydrogen 2.782 N/A ARG 187.A N THR 148.A OG1 no hydrogen 3.312 N/A ARG 187.A NE ASP 146.A OD2 no hydrogen 3.277 N/A ASP 188.A N GLN 276.A OE1 no hydrogen 3.439 N/A ILE 189.A N GLY 218.A O no hydrogen 3.243 N/A LEU 192.A N ILE 189.A O no hydrogen 3.272 N/A SER 196.A OG GLU 232.A OE2 no hydrogen 3.518 N/A SER 197.A N ASP 194.A O no hydrogen 3.311 N/A SER 197.A OG ASP 194.A OD2 no hydrogen 2.906 N/A LEU 199.A N ALA 195.A O no hydrogen 2.999 N/A ALA 200.A N SER 196.A O no hydrogen 3.075 N/A GLU 201.A N SER 197.A O no hydrogen 2.989 N/A TRP 202.A N PHE 198.A O no hydrogen 2.854 N/A GLN 203.A N LEU 199.A O no hydrogen 2.886 N/A ASN 204.A N ALA 200.A O no hydrogen 2.909 N/A ILE 205.A N GLU 201.A O no hydrogen 2.959 N/A THR 206.A N TRP 202.A O no hydrogen 2.796 N/A THR 206.A OG1 TRP 202.A O no hydrogen 2.722 N/A LYS 207.A N GLN 203.A O no hydrogen 2.910 N/A GLY 208.A N ASN 204.A O no hydrogen 2.937 N/A PHE 209.A N ILE 205.A O no hydrogen 3.208 N/A ILE 216.A N PHE 184.A O no hydrogen 2.887 N/A ALA 217.A N LEU 238.A O no hydrogen 2.948 N/A GLY 218.A N VAL 186.A O no hydrogen 2.940 N/A THR 219.A N THR 240.A O no hydrogen 3.331 N/A THR 219.A OG1 GLU 190.A OE1 no hydrogen 3.209 N/A SER 221.A OG GLN 226.A OE1 no hydrogen 2.448 N/A GLN 226.A N ASP 223.A OD1 no hydrogen 3.306 N/A LEU 228.A N LEU 224.A O no hydrogen 3.144 N/A SER 229.A N GLN 225.A O no hydrogen 2.719 N/A SER 229.A OG GLN 225.A O no hydrogen 2.651 N/A LEU 230.A N ILE 227.A O no hydrogen 3.205 N/A LEU 231.A N ILE 227.A O no hydrogen 3.084 N/A LEU 231.A N LEU 228.A O no hydrogen 3.081 N/A SER 233.A OG GLU 232.A OE1 no hydrogen 2.865 N/A SER 233.A OG GLU 232.A OE2 no hydrogen 2.707 N/A ASN 234.A ND2 LEU 230.A O no hydrogen 3.266 N/A LYS 235.A NZ LEU 231.A O no hydrogen 3.019 N/A THR 240.A N ALA 217.A O no hydrogen 2.865 N/A SER 241.A OG THR 219.A O no hydrogen 3.165 N/A TYR 243.A OH LEU 257.A O no hydrogen 2.982 N/A SER 247.A OG TYR 292.A OH no hydrogen 3.429 N/A SER 249.A OG GLY 248.A O no hydrogen 2.536 N/A THR 254.A N THR 250.A O no hydrogen 3.296 N/A LYS 255.A N GLY 251.A O no hydrogen 2.833 N/A LYS 255.A NZ PHE 383.A O no hydrogen 2.406 N/A SER 256.A N GLU 252.A O no hydrogen 2.875 N/A SER 256.A OG HIS 253.A O no hydrogen 2.412 N/A LEU 257.A N HIS 253.A O no hydrogen 2.929 N/A VAL 258.A N THR 254.A O no hydrogen 3.036 N/A THR 259.A N LYS 255.A O no hydrogen 3.087 N/A THR 259.A OG1 LYS 255.A O no hydrogen 2.215 N/A THR 259.A OG1 SER 256.A O no hydrogen 3.179 N/A GLN 260.A N SER 256.A O no hydrogen 2.913 N/A TYR 261.A N LEU 257.A O no hydrogen 3.235 N/A LEU 262.A N VAL 258.A O no hydrogen 3.073 N/A ASN 263.A N THR 259.A O no hydrogen 2.904 N/A ALA 264.A N GLN 260.A O no hydrogen 2.859 N/A THR 265.A N TYR 261.A O no hydrogen 3.302 N/A GLY 266.A N ASN 263.A O no hydrogen 3.224 N/A ASN 267.A ND2 GLY 266.A O no hydrogen 2.413 N/A ARG 268.A NE THR 265.A O no hydrogen 3.017 N/A TRP 269.A NE1 THR 302.A OG1 no hydrogen 2.626 N/A CYS 270.A SG TYR 261.A OH no hydrogen 3.839 N/A CYS 270.A SG ARG 268.A O no hydrogen 3.189 N/A SER 271.A OG LEU 239.A O no hydrogen 3.170 N/A TRP 272.A NE1 PRO 300.A O no hydrogen 2.770 N/A SER 273.A OG SER 275.A O no hydrogen 3.496 N/A SER 275.A OG LEU 274.A O no hydrogen 2.438 N/A PHE 283.A N LEU 280.A O no hydrogen 3.223 N/A ARG 290.A NE THR 438.A O no hydrogen 3.353 N/A LEU 291.A N LEU 288.A O no hydrogen 3.037 N/A TYR 292.A N LEU 288.A O no hydrogen 3.001 N/A TYR 292.A OH SER 247.A OG no hydrogen 3.429 N/A GLN 293.A N LEU 289.A O no hydrogen 3.269 N/A GLN 293.A NE2 ASP 309.A O no hydrogen 3.256 N/A MET 295.A N LEU 291.A O no hydrogen 3.250 N/A LEU 296.A N TYR 292.A O no hydrogen 2.835 N/A PHE 297.A N GLN 293.A O no hydrogen 3.468 N/A THR 298.A N LEU 294.A O no hydrogen 3.396 N/A THR 298.A OG1 LEU 294.A O no hydrogen 2.383 N/A THR 298.A OG1 MET 295.A O no hydrogen 3.235 N/A THR 298.A OG1 TYR 392.A OH no hydrogen 2.552 N/A LEU 299.A N MET 295.A O no hydrogen 3.175 N/A THR 302.A N CYS 270.A O no hydrogen 3.059 N/A THR 302.A OG1 TRP 58.A O no hydrogen 3.166 N/A VAL 304.A N TRP 272.A O no hydrogen 3.210 N/A PHE 305.A N LEU 63.A O no hydrogen 2.925 N/A SER 306.A OG ARG 278.A O no hydrogen 3.250 N/A TYR 307.A OH PRO 326.A O no hydrogen 2.290 N/A GLY 308.A N TYR 64.A OH no hydrogen 2.960 N/A GLU 310.A N GLU 310.A OE1 no hydrogen 2.516 N/A GLY 312.A N ASP 309.A O no hydrogen 2.956 N/A LEU 313.A N GLY 308.A O no hydrogen 3.114 N/A ALA 316.A N ASP 314.A OD1 no hydrogen 2.933 N/A LEU 318.A N ALA 315.A O no hydrogen 3.478 N/A GLN 321.A NE2 ASP 314.A O no hydrogen 2.885 N/A GLN 321.A NE2 LEU 318.A O no hydrogen 3.458 N/A GLU 324.A N GLU 324.A OE1 no hydrogen 2.590 N/A MET 328.A N ALA 71.A O no hydrogen 2.831 N/A TRP 330.A N SER 334.A OG no hydrogen 2.725 N/A TRP 330.A NE1 PHE 72.A O no hydrogen 2.768 N/A ASP 331.A N SER 334.A OG no hydrogen 2.568 N/A SER 333.A N ASP 331.A OD1 no hydrogen 2.963 N/A SER 333.A OG ASP 331.A OD1 no hydrogen 2.668 N/A SER 334.A N ASP 331.A O no hydrogen 3.238 N/A SER 334.A OG ASP 331.A O no hydrogen 3.301 N/A ALA 341.A N ILE 338.A O no hydrogen 3.345 N/A VAL 348.A N LEU 329.A O no hydrogen 3.479 N/A GLY 350.A N THR 347.A OG1 no hydrogen 3.158 N/A GLN 351.A N VAL 348.A O no hydrogen 3.146 N/A SER 352.A OG VAL 348.A O no hydrogen 2.871 N/A SER 357.A N ASP 354.A O no hydrogen 3.224 N/A SER 357.A OG GLN 351.A O no hydrogen 2.615 N/A SER 357.A OG ASP 354.A O no hydrogen 2.625 N/A SER 360.A OG PRO 355.A O no hydrogen 3.012 N/A LEU 361.A N SER 357.A O no hydrogen 3.344 N/A PHE 362.A N LEU 358.A O no hydrogen 3.123 N/A ARG 363.A N LEU 359.A O no hydrogen 2.983 N/A ARG 363.A NH2 SER 92.A OG no hydrogen 2.396 N/A ARG 364.A N SER 360.A O no hydrogen 3.153 N/A LEU 365.A N LEU 361.A O no hydrogen 3.078 N/A SER 366.A N PHE 362.A O no hydrogen 2.792 N/A SER 366.A OG LEU 93.A O no hydrogen 2.842 N/A ASP 367.A N ARG 363.A O no hydrogen 3.126 N/A GLN 368.A N ARG 364.A O no hydrogen 3.135 N/A ARG 369.A N LEU 365.A O no hydrogen 2.935 N/A ARG 369.A NH1 HIS 59.A O no hydrogen 2.672 N/A ARG 369.A NH2 HIS 59.A O no hydrogen 3.401 N/A ARG 369.A NH2 GLY 301.A O no hydrogen 2.207 N/A SER 370.A N SER 366.A O no hydrogen 3.164 N/A SER 370.A OG THR 60.A O no hydrogen 2.855 N/A SER 370.A OG SER 366.A O no hydrogen 3.177 N/A GLU 372.A N GLN 368.A O no hydrogen 3.257 N/A SER 374.A OG ARG 394.A O no hydrogen 2.687 N/A SER 374.A OG GLU 400.A O no hydrogen 2.674 N/A LEU 376.A N GLU 372.A O no hydrogen 3.216 N/A HIS 377.A N ARG 373.A O no hydrogen 3.388 N/A GLY 378.A N SER 374.A O no hydrogen 3.041 N/A ASP 379.A N HIS 395.A O no hydrogen 2.600 N/A HIS 381.A N ILE 393.A O no hydrogen 3.118 N/A HIS 381.A ND1 HIS 395.A NE2 no hydrogen 3.053 N/A TYR 392.A N VAL 404.A O no hydrogen 3.234 N/A TYR 392.A OH THR 298.A OG1 no hydrogen 2.552 N/A ILE 393.A N HIS 381.A O no hydrogen 2.804 N/A ARG 394.A N PHE 402.A O no hydrogen 2.903 N/A ARG 394.A NH1 THR 298.A O no hydrogen 2.397 N/A ARG 394.A NH2 LEU 375.A O no hydrogen 3.562 N/A ARG 394.A NH2 GLY 378.A O no hydrogen 2.988 N/A HIS 395.A N ASP 379.A O no hydrogen 3.143 N/A HIS 395.A NE2 HIS 381.A ND1 no hydrogen 3.053 N/A ASN 399.A N TRP 396.A O no hydrogen 3.075 N/A GLU 400.A N ASN 399.A OD1 no hydrogen 3.017 N/A ARG 401.A N PHE 465.A O no hydrogen 2.988 N/A ARG 401.A NH1 ASP 397.A O no hydrogen 2.755 N/A ARG 401.A NH1 ASN 399.A O no hydrogen 2.354 N/A ARG 401.A NH2 ASP 397.A O no hydrogen 2.500 N/A ARG 401.A NH2 SER 425.A O no hydrogen 3.144 N/A PHE 402.A N ARG 394.A O no hydrogen 3.200 N/A LEU 403.A N LEU 463.A O no hydrogen 2.791 N/A VAL 404.A N TYR 392.A O no hydrogen 3.244 N/A VAL 405.A N LEU 461.A O no hydrogen 3.065 N/A LEU 406.A N PHE 390.A O no hydrogen 2.808 N/A ASN 407.A N GLU 459.A O no hydrogen 3.134 N/A ASN 407.A ND2 VAL 411.A O no hydrogen 3.558 N/A ASN 407.A ND2 GLU 456.A O no hydrogen 3.312 N/A GLY 409.A N ASN 407.A OD1 no hydrogen 3.129 N/A LEU 413.A N LEU 455.A O no hydrogen 3.103 N/A ALA 415.A N LEU 453.A O no hydrogen 2.661 N/A GLN 418.A NE2 GLY 416.A O no hydrogen 2.717 N/A SER 420.A OG SER 420.A O no hydrogen 2.255 N/A ALA 426.A N PRO 423.A O no hydrogen 2.997 N/A SER 427.A OG ALA 424.A O no hydrogen 3.421 N/A ALA 432.A N LEU 448.A O no hydrogen 3.160 N/A ASP 433.A N ARG 464.A O no hydrogen 3.140 N/A LEU 435.A N LEU 462.A O no hydrogen 2.930 N/A SER 437.A OG GLN 439.A O no hydrogen 3.375 N/A THR 438.A N GLY 460.A O no hydrogen 3.158 N/A GLN 439.A NE2 PRO 457.A O no hydrogen 3.361 N/A GLY 445.A N LEU 434.A O no hydrogen 2.684 N/A SER 446.A OG GLU 443.A O no hydrogen 2.721 N/A LEU 448.A N ALA 432.A O no hydrogen 2.602 N/A GLU 449.A N GLU 449.A OE1 no hydrogen 3.032 N/A LEU 450.A N ALA 430.A O no hydrogen 3.275 N/A LEU 455.A N LEU 413.A O no hydrogen 2.635 N/A GLU 456.A N GLU 459.A OE1 no hydrogen 2.437 N/A HIS 458.A N GLY 409.A O no hydrogen 3.241 N/A GLY 460.A N THR 438.A OG1 no hydrogen 3.171 N/A LEU 461.A N VAL 405.A O no hydrogen 2.926 N/A LEU 462.A N LEU 436.A O no hydrogen 3.057 N/A LEU 463.A N LEU 403.A O no hydrogen 2.758 N/A PHE 465.A N ARG 401.A O no hydrogen 3.190 N/A