Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7bua_A.pdb H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 1.A N HIS 144.A NE2 no hydrogen 2.867 N/A ARG 2.A NE MET 140.A O no hydrogen 3.506 N/A CYS 3.A SG ILE 1.A O no hydrogen 3.784 N/A CYS 3.A SG ASP 42.A OD2 no hydrogen 3.095 N/A ARG 9.A NH2 THR 32.A OG1 no hydrogen 2.311 N/A ASP 10.A N CYS 30.A O no hydrogen 3.036 N/A VAL 12.A N THR 32.A O no hydrogen 2.893 N/A ASP 22.A N TRP 20.A O no hydrogen 2.955 N/A ASP 22.A N SER 433.A OG no hydrogen 2.239 N/A VAL 23.A N CYS 291.A O no hydrogen 2.913 N/A HIS 27.A NE2 VAL 46.A O no hydrogen 2.786 N/A CYS 30.A SG ILE 43.A O no hydrogen 3.028 N/A VAL 31.A N ILE 43.A O no hydrogen 2.979 N/A THR 32.A N ASP 10.A O no hydrogen 2.742 N/A VAL 33.A N VAL 41.A O no hydrogen 2.825 N/A MET 34.A N VAL 12.A O no hydrogen 2.972 N/A LYS 38.A NZ MET 295.A O no hydrogen 2.648 N/A THR 40.A OG1 VAL 33.A O no hydrogen 2.961 N/A VAL 41.A N VAL 33.A O no hydrogen 2.949 N/A ASP 42.A N SER 142.A O no hydrogen 3.068 N/A ILE 43.A N VAL 31.A O no hydrogen 2.868 N/A GLU 44.A N MET 140.A O no hydrogen 3.231 N/A LEU 45.A N GLU 26.A O no hydrogen 3.384 N/A THR 47.A N ARG 138.A O no hydrogen 3.221 N/A THR 47.A OG1 THR 48.A O no hydrogen 3.536 N/A THR 48.A N LEU 284.A O no hydrogen 3.136 N/A THR 48.A OG1 LEU 284.A O no hydrogen 2.348 N/A THR 48.A OG1 SER 285.A O no hydrogen 2.796 N/A THR 49.A N GLU 136.A O no hydrogen 2.738 N/A THR 49.A OG1 GLU 136.A O no hydrogen 2.843 N/A VAL 50.A N GLY 282.A O no hydrogen 2.868 N/A SER 51.A N ASN 134.A O no hydrogen 2.983 N/A SER 51.A OG ASN 134.A O no hydrogen 2.426 N/A ALA 54.A N SER 129.A O no hydrogen 2.725 N/A VAL 56.A N ALA 54.A O no hydrogen 3.177 N/A ARG 57.A NH1 TYR 59.A OH no hydrogen 3.291 N/A ARG 57.A NH1 HIS 219.A O no hydrogen 3.292 N/A SER 58.A OG GLU 55.A OE2 no hydrogen 3.511 N/A TYR 59.A N MET 125.A O no hydrogen 3.077 N/A TYR 59.A OH PHE 218.A O no hydrogen 3.022 N/A TYR 59.A OH ILE 221.A O no hydrogen 3.415 N/A CYS 60.A SG GLU 62.A O no hydrogen 3.326 N/A CYS 60.A SG SER 122.A O no hydrogen 2.982 N/A SER 64.A N ALA 120.A O no hydrogen 2.366 N/A SER 64.A OG ALA 120.A O no hydrogen 2.891 N/A SER 66.A OG ASP 67.A OD1 no hydrogen 3.352 N/A ARG 73.A NH2 GLN 77.A O no hydrogen 2.166 N/A GLN 85.A N LEU 82.A O no hydrogen 2.800 N/A SER 86.A N ASP 83.A O no hydrogen 2.923 N/A SER 86.A OG ASP 83.A O no hydrogen 2.440 N/A SER 86.A OG ASP 83.A OD1 no hydrogen 3.525 N/A ASP 87.A N LYS 84.A O no hydrogen 2.946 N/A GLN 89.A N ASP 87.A OD2 no hydrogen 3.417 N/A VAL 91.A N ALA 117.A O no hydrogen 2.876 N/A LYS 93.A N THR 115.A O no hydrogen 3.161 N/A LYS 93.A NZ THR 95.A OG1 no hydrogen 3.335 N/A THR 95.A N LEU 113.A O no hydrogen 2.901 N/A THR 95.A OG1 GLN 253.A OE1 no hydrogen 3.036 N/A VAL 97.A N GLY 111.A O no hydrogen 2.887 N/A ASP 98.A N ALA 250.A O no hydrogen 3.018 N/A ARG 99.A N GLY 109.A O no hydrogen 2.901 N/A ARG 99.A NH2 ASN 103.A O no hydrogen 2.897 N/A GLY 109.A N ARG 99.A O no hydrogen 2.816 N/A LYS 110.A NZ LEU 96.A O no hydrogen 2.676 N/A SER 112.A N ARG 73.A O no hydrogen 3.300 N/A LEU 113.A N THR 95.A O no hydrogen 2.937 N/A CYS 116.A N ALA 69.A O no hydrogen 2.565 N/A ALA 117.A N VAL 91.A O no hydrogen 3.100 N/A LYS 118.A N SER 66.A O no hydrogen 3.422 N/A LYS 118.A N ASP 67.A OD1 no hydrogen 3.196 N/A PHE 119.A N GLN 89.A O no hydrogen 2.789 N/A ALA 120.A N SER 64.A O no hydrogen 2.933 N/A SER 122.A N GLU 62.A O no hydrogen 2.543 N/A LYS 123.A NZ GLU 62.A OE1 no hydrogen 3.549 N/A MET 125.A N TYR 59.A O no hydrogen 2.358 N/A THR 126.A N THR 205.A O no hydrogen 2.960 N/A THR 126.A OG1 THR 205.A O no hydrogen 3.370 N/A LYS 128.A NZ THR 126.A OG1 no hydrogen 3.291 N/A SER 129.A N ALA 54.A O no hydrogen 2.509 N/A GLU 136.A N THR 49.A O no hydrogen 2.484 N/A TYR 137.A N ILE 169.A O no hydrogen 2.933 N/A ILE 139.A N VAL 167.A O no hydrogen 2.894 N/A MET 140.A N GLU 44.A O no hydrogen 3.189 N/A LEU 141.A N ALA 165.A O no hydrogen 2.889 N/A VAL 143.A N ASN 163.A O no hydrogen 2.918 N/A HIS 144.A N THR 40.A O no hydrogen 3.470 N/A ASP 155.A N ILE 152.A O no hydrogen 2.647 N/A HIS 158.A N ASP 155.A O no hydrogen 2.912 N/A HIS 158.A ND1 ASN 154.A O no hydrogen 2.557 N/A GLU 159.A N ASP 155.A O no hydrogen 3.228 N/A ASN 163.A ND2 SER 146.A OG no hydrogen 2.603 N/A ARG 164.A NE SER 142.A OG no hydrogen 3.016 N/A ALA 165.A N LEU 141.A O no hydrogen 2.893 N/A VAL 167.A N ILE 139.A O no hydrogen 2.884 N/A ILE 169.A N TYR 137.A O no hydrogen 2.875 N/A THR 170.A N SER 173.A O no hydrogen 3.390 N/A ALA 176.A N LEU 188.A O no hydrogen 2.849 N/A ALA 178.A N LEU 186.A O no hydrogen 2.953 N/A LEU 180.A N GLY 184.A O no hydrogen 2.637 N/A PHE 183.A N LEU 180.A O no hydrogen 2.554 N/A GLY 184.A N LEU 180.A O no hydrogen 2.835 N/A SER 185.A OG ASP 296.A OD1 no hydrogen 2.252 N/A SER 185.A OG ASP 296.A OD2 no hydrogen 3.158 N/A SER 185.A OG LYS 297.A O no hydrogen 2.759 N/A LEU 188.A N ALA 176.A O no hydrogen 2.902 N/A ASP 189.A N ARG 292.A O no hydrogen 2.946 N/A GLU 191.A N LYS 290.A O no hydrogen 2.927 N/A ARG 193.A NH1 GLU 133.A OE2 no hydrogen 2.252 N/A THR 194.A OG1 GLU 191.A OE1 no hydrogen 3.286 N/A SER 199.A OG PHE 198.A O no hydrogen 2.813 N/A SER 199.A OG ASP 200.A OD1 no hydrogen 2.746 N/A TYR 202.A N VAL 213.A O no hydrogen 2.839 N/A TYR 203.A N LYS 128.A O no hydrogen 2.843 N/A TYR 203.A OH GLU 276.A O no hydrogen 3.314 N/A LEU 204.A N TRP 211.A O no hydrogen 2.867 N/A THR 205.A N THR 126.A O no hydrogen 2.858 N/A THR 205.A OG1 HIS 210.A ND1 no hydrogen 2.330 N/A THR 205.A OG1 ASP 278.A OD2 no hydrogen 3.191 N/A MET 206.A N LYS 209.A O no hydrogen 2.978 N/A HIS 210.A ND1 THR 205.A OG1 no hydrogen 2.330 N/A TRP 211.A N LEU 204.A O no hydrogen 2.887 N/A LEU 212.A N LEU 273.A O no hydrogen 2.896 N/A VAL 213.A N TYR 202.A O no hydrogen 2.889 N/A LYS 215.A N ASP 200.A O no hydrogen 2.726 N/A GLU 216.A N HIS 214.A ND1 no hydrogen 3.399 N/A PHE 218.A N HIS 214.A O no hydrogen 3.457 N/A HIS 219.A N LYS 215.A O no hydrogen 2.846 N/A ASP 220.A N GLU 216.A O no hydrogen 3.076 N/A ASP 220.A N TRP 217.A O no hydrogen 3.103 N/A LEU 223.A N ILE 221.A O no hydrogen 3.139 N/A TRP 225.A N ASN 237.A O no hydrogen 3.098 N/A TRP 225.A NE1 TYR 59.A OH no hydrogen 2.697 N/A HIS 226.A N SER 58.A O no hydrogen 2.891 N/A GLY 228.A N HIS 226.A O no hydrogen 2.838 N/A ALA 229.A N HIS 226.A O no hydrogen 3.116 N/A ASN 237.A N TRP 225.A O no hydrogen 2.880 N/A ASN 238.A N ASN 237.A OD1 no hydrogen 3.216 N/A LYS 239.A NZ THR 88.A O no hydrogen 2.956 N/A LYS 239.A NZ GLN 89.A O no hydrogen 3.337 N/A GLU 244.A N VAL 256.A O no hydrogen 2.891 N/A LYS 246.A N THR 254.A O no hydrogen 2.910 N/A ASP 247.A N ASP 247.A OD1 no hydrogen 2.572 N/A ALA 248.A N LYS 251.A O no hydrogen 2.403 N/A THR 254.A N LYS 246.A O no hydrogen 2.827 N/A THR 254.A OG1 VAL 255.A O no hydrogen 3.527 N/A VAL 255.A N THR 254.A OG1 no hydrogen 2.507 N/A VAL 256.A N GLU 244.A O no hydrogen 2.891 N/A GLN 261.A N TYR 61.A O no hydrogen 3.193 N/A VAL 265.A N GLN 261.A O no hydrogen 2.873 N/A HIS 266.A N GLU 262.A O no hydrogen 2.980 N/A HIS 266.A ND1 GLU 262.A O no hydrogen 3.053 N/A THR 267.A N GLY 263.A O no hydrogen 2.893 N/A ALA 268.A N ALA 264.A O no hydrogen 2.916 N/A LEU 269.A N HIS 266.A O no hydrogen 2.707 N/A ALA 272.A N LEU 269.A O no hydrogen 3.284 N/A ALA 275.A N HIS 210.A O no hydrogen 2.800 N/A GLU 276.A N ARG 283.A O no hydrogen 2.866 N/A GLY 282.A N VAL 50.A O no hydrogen 2.931 N/A ARG 283.A N GLU 276.A O no hydrogen 3.004 N/A ARG 283.A N MET 277.A O no hydrogen 2.580 N/A LEU 284.A N THR 48.A O no hydrogen 2.745 N/A LEU 289.A N LEU 25.A O no hydrogen 2.982 N/A LYS 290.A NZ ASP 430.A OD2 no hydrogen 2.685 N/A CYS 291.A N VAL 23.A O no hydrogen 2.948 N/A ARG 292.A N ASP 189.A O no hydrogen 2.863 N/A ARG 292.A NE ASP 22.A OD2 no hydrogen 2.939 N/A ARG 292.A NH2 ASP 22.A OD2 no hydrogen 3.167 N/A LEU 293.A N VAL 21.A O no hydrogen 2.834 N/A LYS 294.A N GLY 187.A O no hydrogen 2.824 N/A MET 295.A N THR 19.A OG1 no hydrogen 2.479 N/A LYS 297.A N ASP 296.A OD1 no hydrogen 2.308 N/A TYR 305.A N GLY 302.A O no hydrogen 3.004 N/A CYS 308.A SG TYR 332.A OH no hydrogen 3.419 N/A THR 309.A OG1 LEU 307.A O no hydrogen 3.428 N/A THR 313.A N GLN 331.A O no hydrogen 2.960 N/A THR 313.A OG1 GLN 331.A O no hydrogen 2.999 N/A THR 315.A N GLU 329.A O no hydrogen 3.064 N/A THR 315.A OG1 GLU 329.A O no hydrogen 3.091 N/A THR 315.A OG1 GLU 329.A OE1 no hydrogen 2.000 N/A THR 321.A N THR 325.A O no hydrogen 2.602 N/A THR 321.A OG1 HIS 323.A ND1 no hydrogen 2.975 N/A HIS 323.A N THR 321.A OG1 no hydrogen 2.672 N/A HIS 323.A ND1 THR 321.A OG1 no hydrogen 2.975 N/A GLY 324.A N THR 321.A O no hydrogen 2.905 N/A THR 325.A OG1 LEU 378.A O no hydrogen 2.530 N/A VAL 326.A N LEU 378.A O no hydrogen 2.849 N/A THR 327.A OG1 LEU 376.A O no hydrogen 3.288 N/A VAL 328.A N LEU 376.A O no hydrogen 2.860 N/A VAL 330.A N MET 374.A O no hydrogen 2.968 N/A GLN 331.A N THR 313.A O no hydrogen 2.856 N/A TYR 332.A N SER 372.A O no hydrogen 2.950 N/A ALA 333.A N ASN 371.A OD1 no hydrogen 2.331 N/A THR 335.A OG1 ASP 336.A O no hydrogen 3.526 N/A ASP 336.A N THR 335.A OG1 no hydrogen 2.480 N/A CYS 339.A N ILE 365.A O no hydrogen 2.976 N/A CYS 339.A SG ASP 336.A O no hydrogen 3.179 N/A CYS 339.A SG GLY 337.A O no hydrogen 3.757 N/A LYS 340.A N SER 306.A O no hydrogen 2.830 N/A LYS 340.A NZ VAL 303.A O no hydrogen 3.240 N/A GLN 344.A N VAL 388.A O no hydrogen 2.959 N/A ALA 346.A N TYR 386.A O no hydrogen 2.879 N/A THR 351.A OG1 ASP 348.A O no hydrogen 2.276 N/A THR 351.A OG1 ASP 348.A OD1 no hydrogen 2.581 N/A VAL 355.A N MET 345.A O no hydrogen 2.959 N/A ARG 357.A N ASP 379.A O no hydrogen 2.961 N/A THR 360.A N GLU 377.A O no hydrogen 3.406 N/A THR 360.A OG1 GLU 377.A O no hydrogen 3.289 N/A ALA 361.A N ILE 359.A O no hydrogen 2.731 N/A ILE 365.A N CYS 339.A O no hydrogen 2.862 N/A THR 369.A OG1 GLU 370.A O no hydrogen 3.512 N/A THR 369.A OG1 SER 372.A OG no hydrogen 3.257 N/A SER 372.A OG THR 369.A OG1 no hydrogen 3.257 N/A SER 372.A OG GLU 370.A O no hydrogen 2.896 N/A LEU 376.A N VAL 328.A O no hydrogen 2.934 N/A GLU 377.A N THR 360.A OG1 no hydrogen 2.919 N/A LEU 378.A N VAL 326.A O no hydrogen 2.911 N/A ASP 379.A N ARG 357.A O no hydrogen 2.870 N/A SER 385.A OG ASP 384.A O no hydrogen 3.428 N/A TYR 386.A N ALA 346.A O no hydrogen 2.961 N/A ILE 387.A N HIS 398.A O no hydrogen 2.820 N/A VAL 388.A N GLN 344.A O no hydrogen 2.862 N/A ILE 389.A N ILE 396.A O no hydrogen 2.986 N/A GLU 393.A N GLU 393.A OE2 no hydrogen 3.030 N/A LYS 394.A NZ GLU 393.A OE1 no hydrogen 2.953 N/A TRP 400.A N SER 385.A O no hydrogen 2.847 N/A ARG 402.A NH1 ASP 379.A OD1 no hydrogen 2.616 N/A ARG 402.A NH1 PRO 380.A O no hydrogen 3.447 N/A SER 403.A OG HIS 401.A O no hydrogen 2.711 N/A LYS 409.A N SER 405.A O no hydrogen 2.754 N/A LYS 409.A NZ GLY 404.A O no hydrogen 2.872 N/A ALA 410.A N THR 406.A O no hydrogen 3.185 N/A PHE 411.A N ILE 407.A O no hydrogen 2.910 N/A GLU 412.A N GLY 408.A O no hydrogen 2.916 N/A ALA 413.A N LYS 409.A O no hydrogen 2.889 N/A THR 414.A N ALA 410.A O no hydrogen 2.854 N/A VAL 415.A N PHE 411.A O no hydrogen 2.968 N/A ARG 416.A N GLU 412.A O no hydrogen 2.924 N/A GLY 417.A N ALA 413.A O no hydrogen 2.845 N/A ALA 418.A N THR 414.A O no hydrogen 2.826 N/A LYS 419.A N VAL 415.A O no hydrogen 2.948 N/A ARG 420.A N ARG 416.A O no hydrogen 2.943 N/A MET 421.A N GLY 417.A O no hydrogen 2.779 N/A ALA 422.A N ALA 418.A O no hydrogen 2.933 N/A ALA 422.A N LYS 419.A O no hydrogen 3.234 N/A VAL 423.A N LYS 419.A O no hydrogen 2.961 N/A LEU 424.A N ARG 420.A O no hydrogen 2.890 N/A THR 427.A N LEU 424.A O no hydrogen 2.887 N/A THR 427.A OG1 LEU 424.A O no hydrogen 3.483 N/A ALA 428.A N GLY 425.A O no hydrogen 3.194 N/A TRP 429.A N ASP 426.A O no hydrogen 2.908 N/A SER 433.A OG TRP 20.A O no hydrogen 2.535 N/A SER 433.A OG SER 433.A O no hydrogen 2.362 N/A ASN 439.A ND2 VAL 434.A O no hydrogen 2.685 N/A SER 440.A N GLY 436.A O no hydrogen 3.286 N/A LEU 441.A N ALA 437.A O no hydrogen 2.915 N/A GLY 442.A N LEU 438.A O no hydrogen 2.821 N/A LYS 443.A N ASN 439.A O no hydrogen 2.901 N/A GLY 444.A N SER 440.A O no hydrogen 2.885 N/A ILE 445.A N LEU 441.A O no hydrogen 2.853 N/A HIS 446.A N GLY 442.A O no hydrogen 2.933 N/A GLN 447.A N LYS 443.A O no hydrogen 2.812 N/A ILE 448.A N GLY 444.A O no hydrogen 2.975 N/A PHE 449.A N ILE 445.A O no hydrogen 2.898 N/A GLY 450.A N HIS 446.A O no hydrogen 2.788 N/A ALA 451.A N GLN 447.A O no hydrogen 2.938 N/A ALA 452.A N ILE 448.A O no hydrogen 2.967 N/A PHE 453.A N PHE 449.A O no hydrogen 2.844 N/A LYS 454.A N GLY 450.A O no hydrogen 2.849 N/A SER 455.A N ALA 451.A O no hydrogen 2.942 N/A LEU 456.A N ALA 452.A O no hydrogen 2.825 N/A PHE 457.A N PHE 453.A O no hydrogen 2.875 N/A SER 461.A OG SER 464.A OG no hydrogen 2.874 N/A SER 464.A N SER 461.A OG no hydrogen 2.902 N/A SER 464.A OG SER 461.A O no hydrogen 2.851 N/A SER 464.A OG SER 461.A OG no hydrogen 2.874 N/A GLN 465.A N SER 461.A O no hydrogen 2.982 N/A ILE 466.A N TRP 462.A O no hydrogen 2.903 N/A LEU 467.A N PHE 463.A O no hydrogen 3.000 N/A ILE 468.A N SER 464.A O no hydrogen 2.893 N/A GLY 469.A N GLN 465.A O no hydrogen 2.914 N/A THR 470.A N ILE 466.A O no hydrogen 2.993 N/A THR 470.A OG1 LEU 467.A O no hydrogen 2.411 N/A LEU 471.A N LEU 467.A O no hydrogen 2.926 N/A LEU 472.A N ILE 468.A O no hydrogen 2.899 N/A MET 473.A N GLY 469.A O no hydrogen 2.899 N/A TRP 474.A N THR 470.A O no hydrogen 2.960 N/A LEU 475.A N LEU 471.A O no hydrogen 2.914 N/A GLY 476.A N LEU 472.A O no hydrogen 2.828 N/A LEU 477.A N MET 473.A O no hydrogen 3.151 N/A ASN 478.A N LEU 475.A O no hydrogen 2.829 N/A THR 479.A N LEU 475.A O no hydrogen 3.271 N/A ILE 484.A N ASN 481.A O no hydrogen 3.094 N/A SER 485.A OG LYS 480.A O no hydrogen 3.144 N/A LEU 486.A N GLY 482.A O no hydrogen 2.415 N/A CYS 488.A N ILE 484.A O no hydrogen 2.872 N/A CYS 488.A SG ILE 484.A O no hydrogen 3.931 N/A LEU 489.A N SER 485.A O no hydrogen 2.910 N/A ALA 490.A N LEU 486.A O no hydrogen 2.827 N/A LEU 491.A N MET 487.A O no hydrogen 2.948 N/A GLY 492.A N CYS 488.A O no hydrogen 2.871 N/A GLY 493.A N LEU 489.A O no hydrogen 2.897 N/A VAL 494.A N ALA 490.A O no hydrogen 2.907 N/A LEU 495.A N LEU 491.A O no hydrogen 2.909 N/A ILE 496.A N GLY 492.A O no hydrogen 2.899 N/A PHE 497.A N GLY 493.A O no hydrogen 2.872 N/A LEU 498.A N VAL 494.A O no hydrogen 2.890 N/A SER 499.A N LEU 495.A O no hydrogen 2.918 N/A SER 499.A OG LEU 495.A O no hydrogen 3.248 N/A SER 499.A OG ILE 496.A O no hydrogen 2.315 N/A THR 500.A N PHE 497.A O no hydrogen 2.801 N/A THR 500.A OG1 ILE 496.A O no hydrogen 3.549 N/A THR 500.A OG1 PHE 497.A O no hydrogen 2.273 N/A ALA 504.A N ALA 501.A O no hydrogen 3.238 N/A