Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6rxu_UO.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 24.A N THR 21.A OG1 no hydrogen 3.335 N/A ARG 25.A N THR 21.A O no hydrogen 2.991 N/A TYR 26.A N ALA 22.A O no hydrogen 2.876 N/A TYR 26.A OH ASP 314.A OD2 no hydrogen 2.818 N/A TRP 27.A N GLU 23.A O no hydrogen 2.919 N/A ARG 28.A N GLN 24.A O no hydrogen 2.931 N/A SER 29.A OG ARG 25.A O no hydrogen 3.398 N/A SER 29.A OG TYR 26.A O no hydrogen 2.490 N/A LYS 31.A NZ SER 29.A O no hydrogen 3.401 N/A LYS 32.A N THR 330.A O no hydrogen 3.051 N/A LYS 34.A N ILE 328.A O no hydrogen 2.927 N/A LYS 34.A NZ ARG 72.A O no hydrogen 3.516 N/A SER 35.A OG SER 35.A O no hydrogen 2.543 N/A HIS 36.A N LEU 326.A O no hydrogen 2.927 N/A THR 37.A OG1 SER 38.A O no hydrogen 3.334 N/A THR 37.A OG1 GLY 324.A O no hydrogen 3.245 N/A SER 38.A N GLY 324.A O no hydrogen 2.658 N/A SER 38.A OG TRP 42.A O no hydrogen 2.581 N/A SER 38.A OG GLY 324.A O no hydrogen 3.263 N/A TRP 42.A N THR 39.A O no hydrogen 3.465 N/A ILE 44.A N MET 321.A O no hydrogen 3.427 N/A SER 45.A N THR 59.A O no hydrogen 2.842 N/A HIS 46.A N THR 59.A O no hydrogen 3.069 N/A SER 48.A N ALA 57.A O no hydrogen 2.912 N/A SER 48.A OG ALA 57.A O no hydrogen 3.349 N/A SER 48.A OG GLY 88.A O no hydrogen 2.328 N/A PHE 56.A N PHE 67.A O no hydrogen 3.030 N/A ALA 57.A N SER 48.A O no hydrogen 2.922 N/A VAL 58.A N GLU 65.A O no hydrogen 3.186 N/A THR 59.A N HIS 46.A O no hydrogen 2.844 N/A THR 59.A OG1 ALA 85.A O no hydrogen 2.559 N/A ALA 60.A N ARG 63.A O no hydrogen 3.353 N/A VAL 64.A N ILE 78.A O no hydrogen 2.964 N/A GLU 65.A N VAL 58.A O no hydrogen 2.918 N/A PHE 67.A N PHE 56.A O no hydrogen 2.687 N/A SER 68.A N GLU 73.A O no hydrogen 3.256 N/A SER 68.A OG ASP 54.A O no hydrogen 3.366 N/A ILE 69.A N ASP 54.A O no hydrogen 3.289 N/A ARG 70.A NH1 ASN 53.A O no hydrogen 3.139 N/A LEU 75.A N ILE 66.A O no hydrogen 2.851 N/A LYS 76.A N ILE 66.A O no hydrogen 2.987 N/A ILE 78.A N VAL 64.A O no hydrogen 2.876 N/A HIS 86.A N GLY 100.A O no hydrogen 2.749 N/A CYS 87.A SG THR 133.A O no hydrogen 3.303 N/A GLU 89.A N VAL 98.A O no hydrogen 2.991 N/A ARG 91.A N VAL 96.A O no hydrogen 2.865 N/A ARG 91.A NH2 ASP 93.A OD1 no hydrogen 2.840 N/A ARG 95.A NE ASP 93.A OD1 no hydrogen 3.364 N/A ARG 95.A NH1 ASP 93.A OD1 no hydrogen 2.500 N/A LEU 97.A N PHE 109.A O no hydrogen 2.908 N/A VAL 98.A N GLU 89.A O no hydrogen 2.896 N/A ALA 99.A N GLN 107.A O no hydrogen 2.977 N/A GLU 101.A N ARG 105.A O no hydrogen 2.881 N/A MET 106.A N TRP 123.A O no hydrogen 2.883 N/A GLN 107.A N ALA 99.A O no hydrogen 2.924 N/A VAL 108.A N LYS 121.A O no hydrogen 2.963 N/A PHE 109.A N LEU 97.A O no hydrogen 2.869 N/A ASP 110.A N VAL 118.A O no hydrogen 2.862 N/A VAL 111.A N ARG 95.A O no hydrogen 2.922 N/A ARG 116.A N GLY 114.A O no hydrogen 3.177 N/A VAL 118.A N ASP 110.A O no hydrogen 3.045 N/A LEU 120.A N VAL 108.A O no hydrogen 2.925 N/A LYS 121.A N VAL 108.A O no hydrogen 3.237 N/A TRP 123.A N MET 106.A O no hydrogen 2.941 N/A HIS 126.A NE2 SER 145.A OG no hydrogen 2.754 N/A LYS 127.A NZ HIS 124.A NE2 no hydrogen 3.132 N/A VAL 130.A N GLU 101.A O no hydrogen 3.488 N/A TRP 131.A N CYS 146.A O no hydrogen 2.988 N/A VAL 132.A N CYS 146.A O no hydrogen 3.134 N/A THR 133.A OG1 MET 144.A O no hydrogen 3.548 N/A LYS 134.A N MET 144.A O no hydrogen 2.943 N/A LYS 134.A NZ GLY 176.A O no hydrogen 2.844 N/A TRP 135.A NE1 GLU 89.A O no hydrogen 2.944 N/A SER 136.A N THR 142.A O no hydrogen 2.930 N/A SER 136.A OG GLU 139.A O no hydrogen 2.598 N/A THR 142.A OG1 GLU 139.A OE1 no hydrogen 2.361 N/A LEU 143.A N TRP 155.A O no hydrogen 2.954 N/A MET 144.A N LYS 134.A O no hydrogen 2.851 N/A SER 145.A N ARG 153.A O no hydrogen 2.910 N/A SER 145.A OG HIS 126.A NE2 no hydrogen 2.754 N/A CYS 146.A N VAL 132.A O no hydrogen 2.920 N/A SER 147.A N THR 151.A O no hydrogen 3.031 N/A SER 147.A OG PRO 129.A O no hydrogen 2.611 N/A SER 147.A OG ASP 149.A OD1 no hydrogen 2.953 N/A ASP 148.A N PRO 129.A O no hydrogen 2.460 N/A THR 151.A N ASP 149.A OD1 no hydrogen 3.449 N/A THR 151.A OG1 ASP 149.A OD1 no hydrogen 3.099 N/A VAL 152.A N PHE 166.A O no hydrogen 3.053 N/A ARG 153.A N SER 145.A O no hydrogen 2.882 N/A LEU 154.A N ARG 164.A O no hydrogen 2.868 N/A TRP 155.A N LEU 143.A O no hydrogen 2.876 N/A LEU 157.A N THR 141.A O no hydrogen 2.910 N/A SER 159.A N ASP 156.A O no hydrogen 3.270 N/A THR 163.A OG1 LEU 154.A O no hydrogen 2.880 N/A ARG 164.A N LEU 154.A O no hydrogen 3.047 N/A PHE 166.A N VAL 152.A O no hydrogen 2.869 N/A HIS 169.A ND1 THR 196.A OG1 no hydrogen 3.149 N/A HIS 169.A NE2 SER 190.A OG no hydrogen 3.198 N/A ARG 174.A NH2 TYR 193.A OH no hydrogen 3.464 N/A CYS 175.A SG GLY 191.A O no hydrogen 3.381 N/A CYS 175.A SG ILE 218.A O no hydrogen 3.604 N/A CYS 175.A SG GLU 219.A O no hydrogen 3.340 N/A ALA 177.A N VAL 189.A O no hydrogen 2.840 N/A MET 179.A N LEU 187.A O no hydrogen 3.120 N/A LEU 188.A N TRP 200.A O no hydrogen 2.933 N/A VAL 189.A N ALA 177.A O no hydrogen 2.974 N/A SER 190.A N ARG 198.A O no hydrogen 2.929 N/A SER 190.A OG HIS 169.A NE2 no hydrogen 3.198 N/A GLY 191.A N CYS 175.A O no hydrogen 2.931 N/A SER 192.A N THR 196.A O no hydrogen 2.933 N/A SER 192.A OG THR 196.A OG1 no hydrogen 3.234 N/A TYR 193.A N TYR 172.A O no hydrogen 2.452 N/A ASP 194.A N SER 192.A OG no hydrogen 2.688 N/A THR 196.A OG1 HIS 169.A ND1 no hydrogen 3.149 N/A THR 196.A OG1 SER 192.A OG no hydrogen 3.234 N/A VAL 197.A N PHE 212.A O no hydrogen 2.913 N/A ARG 198.A N SER 190.A O no hydrogen 2.931 N/A ARG 198.A NE HIS 169.A ND1 no hydrogen 3.481 N/A VAL 199.A N MET 210.A O no hydrogen 2.924 N/A TRP 200.A N LEU 188.A O no hydrogen 2.798 N/A ALA 202.A N ASN 186.A O no hydrogen 2.968 N/A ARG 203.A N ASP 201.A OD1 no hydrogen 3.094 N/A GLY 206.A N ALA 204.A O no hydrogen 2.907 N/A VAL 209.A N VAL 199.A O no hydrogen 2.762 N/A MET 210.A N VAL 199.A O no hydrogen 3.031 N/A PHE 212.A N VAL 197.A O no hydrogen 2.883 N/A HIS 214.A N GLU 195.A O no hydrogen 2.873 N/A HIS 214.A NE2 SER 239.A OG no hydrogen 2.746 N/A ILE 218.A N SER 192.A O no hydrogen 3.267 N/A GLU 219.A N ALA 233.A O no hydrogen 2.723 N/A ASP 220.A N ALA 233.A O no hydrogen 3.039 N/A LEU 222.A N LEU 231.A O no hydrogen 2.950 N/A LEU 224.A N THR 229.A O no hydrogen 2.959 N/A GLY 227.A N LEU 224.A O no hydrogen 2.805 N/A LEU 230.A N LEU 241.A O no hydrogen 2.916 N/A LEU 231.A N LEU 222.A O no hydrogen 2.858 N/A ALA 232.A N SER 239.A O no hydrogen 2.908 N/A ALA 233.A N ASP 220.A O no hydrogen 2.817 N/A SER 234.A N ALA 237.A O no hydrogen 3.041 N/A SER 234.A OG SER 234.A O no hydrogen 2.449 N/A ILE 238.A N ILE 252.A O no hydrogen 2.916 N/A SER 239.A N ALA 232.A O no hydrogen 2.891 N/A SER 239.A OG HIS 214.A NE2 no hydrogen 2.746 N/A SER 239.A OG ALA 232.A O no hydrogen 2.848 N/A VAL 240.A N ARG 250.A O no hydrogen 2.905 N/A LEU 241.A N LEU 230.A O no hydrogen 2.883 N/A ASP 242.A N LYS 247.A O no hydrogen 3.000 N/A LEU 243.A N THR 228.A O no hydrogen 2.810 N/A LEU 249.A N VAL 240.A O no hydrogen 2.863 N/A ARG 250.A N VAL 240.A O no hydrogen 3.036 N/A ILE 252.A N ILE 238.A O no hydrogen 2.858 N/A THR 253.A OG1 ASN 236.A O no hydrogen 2.712 N/A HIS 255.A NE2 SER 273.A OG no hydrogen 2.817 N/A VAL 259.A N GLY 235.A O no hydrogen 2.899 N/A THR 260.A N GLY 274.A O no hydrogen 2.713 N/A THR 260.A OG1 GLY 274.A O no hydrogen 2.557 N/A THR 260.A OG1 ILE 300.A O no hydrogen 3.545 N/A THR 260.A OG1 LEU 301.A O no hydrogen 3.413 N/A SER 261.A N GLY 274.A O no hydrogen 3.012 N/A SER 263.A N VAL 272.A O no hydrogen 2.897 N/A SER 263.A OG LEU 264.A O no hydrogen 3.014 N/A GLN 267.A NE2 SER 311.A O no hydrogen 3.198 N/A ARG 269.A N ALA 265.A O no hydrogen 2.782 N/A ARG 270.A N ALA 265.A O no hydrogen 3.101 N/A VAL 271.A N PHE 283.A O no hydrogen 2.939 N/A VAL 272.A N SER 263.A O no hydrogen 2.877 N/A SER 273.A N LYS 281.A O no hydrogen 2.883 N/A SER 273.A OG HIS 255.A NE2 no hydrogen 2.817 N/A SER 273.A OG LYS 281.A O no hydrogen 3.331 N/A GLY 274.A N SER 261.A O no hydrogen 2.874 N/A SER 275.A N HIS 279.A O no hydrogen 3.022 N/A SER 275.A OG HIS 255.A ND1 no hydrogen 3.093 N/A LEU 276.A N THR 258.A O no hydrogen 2.940 N/A ASP 277.A N SER 275.A OG no hydrogen 3.078 N/A VAL 280.A N ALA 294.A O no hydrogen 2.945 N/A LYS 281.A N SER 273.A O no hydrogen 2.907 N/A LYS 281.A NZ ASN 254.A O no hydrogen 2.689 N/A VAL 282.A N ALA 292.A O no hydrogen 2.868 N/A PHE 283.A N VAL 271.A O no hydrogen 2.879 N/A GLU 284.A N ASN 289.A O no hydrogen 3.416 N/A THR 285.A OG1 ARG 269.A O no hydrogen 2.741 N/A VAL 291.A N VAL 282.A O no hydrogen 2.883 N/A ALA 292.A N VAL 282.A O no hydrogen 3.105 N/A ALA 294.A N VAL 280.A O no hydrogen 2.910 N/A TYR 296.A N GLY 278.A O no hydrogen 2.827 N/A LEU 301.A N GLY 320.A O no hydrogen 2.792 N/A SER 302.A N GLY 320.A O no hydrogen 2.993 N/A SER 302.A OG SER 45.A O no hydrogen 2.568 N/A SER 304.A N ALA 318.A O no hydrogen 3.013 N/A SER 304.A OG VAL 305.A O no hydrogen 3.298 N/A ILE 306.A N HIS 316.A O no hydrogen 3.128 N/A ALA 308.A N ASP 313.A O no hydrogen 2.687 N/A SER 311.A OG ALA 310.A O no hydrogen 2.785 N/A SER 311.A OG ASP 313.A OD2 no hydrogen 2.494 N/A HIS 312.A N GLY 309.A O no hydrogen 3.142 N/A ARG 315.A N ILE 306.A O no hydrogen 2.628 N/A LEU 317.A N ARG 329.A O no hydrogen 2.986 N/A ALA 318.A N SER 304.A O no hydrogen 2.935 N/A VAL 319.A N SER 327.A O no hydrogen 2.953 N/A GLY 320.A N SER 302.A O no hydrogen 2.847 N/A MET 321.A N VAL 325.A O no hydrogen 3.001 N/A GLN 322.A N PRO 299.A O no hydrogen 2.883 N/A SER 323.A N SER 298.A OG no hydrogen 3.173 N/A GLY 324.A N MET 321.A O no hydrogen 3.222 N/A LEU 326.A N HIS 36.A O no hydrogen 2.890 N/A SER 327.A N VAL 319.A O no hydrogen 2.897 N/A ILE 328.A N LYS 34.A O no hydrogen 2.899 N/A ARG 329.A N LEU 317.A O no hydrogen 2.907 N/A ARG 329.A NE TYR 296.A OH no hydrogen 3.533 N/A THR 330.A N LYS 32.A O no hydrogen 2.883 N/A THR 330.A OG1 LYS 32.A O no hydrogen 3.547 N/A ARG 331.A N ARG 315.A O no hydrogen 3.127 N/A ARG 331.A NE SER 29.A OG no hydrogen 2.938 N/A MET 343.A N SER 339.A O no hydrogen 2.914 N/A ASP 344.A N ASN 340.A O no hydrogen 2.905 N/A LEU 345.A N LYS 341.A O no hydrogen 2.984 N/A LEU 346.A N ASN 342.A O no hydrogen 2.952 N/A GLY 347.A N MET 343.A O no hydrogen 2.894 N/A GLU 348.A N ASP 344.A O no hydrogen 2.917 N/A SER 349.A N LEU 345.A O no hydrogen 3.018 N/A ALA 350.A N LEU 346.A O no hydrogen 2.908 N/A THR 361.A OG1 ASP 358.A O no hydrogen 2.969 N/A THR 361.A OG1 HIS 362.A O no hydrogen 3.337 N/A ARG 364.A N HIS 362.A ND1 no hydrogen 3.068 N/A LYS 371.A N GLN 374.A OE1 no hydrogen 3.380 N/A LYS 375.A N LYS 371.A O no hydrogen 2.927 N/A ALA 376.A N PRO 372.A O no hydrogen 2.917 N/A PHE 377.A N TRP 373.A O no hydrogen 2.915 N/A ARG 378.A N GLN 374.A O no hydrogen 2.915 N/A GLN 379.A N LYS 375.A O no hydrogen 2.972 N/A GLY 380.A N ALA 376.A O no hydrogen 2.941 N/A ARG 381.A N ALA 376.A O no hydrogen 2.642 N/A ALA 385.A N ARG 381.A O no hydrogen 3.028 N/A VAL 386.A N TYR 382.A O no hydrogen 2.916 N/A ASP 387.A N ALA 383.A O no hydrogen 2.991 N/A ASP 388.A N ALA 384.A O no hydrogen 2.952 N/A VAL 389.A N ALA 385.A O no hydrogen 2.989 N/A LEU 390.A N VAL 386.A O no hydrogen 2.873 N/A ASN 391.A N ASP 387.A O no hydrogen 3.029 N/A ALA 402.A N ASP 398.A O no hydrogen 2.970 N/A LEU 403.A N PRO 399.A O no hydrogen 2.894 N/A THR 404.A N VAL 400.A O no hydrogen 2.894 N/A THR 404.A OG1 VAL 400.A O no hydrogen 2.547 N/A LEU 405.A N ILE 401.A O no hydrogen 2.970 N/A LEU 406.A N ALA 402.A O no hydrogen 2.952 N/A THR 407.A N LEU 403.A O no hydrogen 2.853 N/A THR 407.A OG1 LEU 403.A O no hydrogen 2.854 N/A THR 407.A OG1 THR 404.A O no hydrogen 2.896 N/A ALA 408.A N THR 404.A O no hydrogen 2.991 N/A LEU 409.A N LEU 405.A O no hydrogen 2.855 N/A ARG 410.A N LEU 406.A O no hydrogen 2.922 N/A ARG 410.A N THR 407.A O no hydrogen 3.216 N/A ARG 410.A NE ASP 449.A OD1 no hydrogen 3.022 N/A HIS 411.A N THR 407.A O no hydrogen 2.933 N/A HIS 411.A ND1 THR 407.A O no hydrogen 2.331 N/A ARG 412.A N ALA 408.A O no hydrogen 2.885 N/A ARG 412.A NH2 TYR 382.A OH no hydrogen 2.420 N/A ALA 414.A N LEU 409.A O no hydrogen 3.394 N/A ALA 418.A N ALA 414.A O no hydrogen 2.921 N/A LEU 419.A N LEU 415.A O no hydrogen 2.977 N/A ARG 422.A N TYR 458.A OH no hydrogen 2.719 N/A LEU 425.A N ASP 423.A OD1 no hydrogen 3.407 N/A SER 426.A OG ASP 387.A OD2 no hydrogen 3.379 N/A VAL 427.A N ASP 423.A O no hydrogen 2.951 N/A ILE 428.A N GLU 424.A O no hydrogen 2.997 N/A ASN 429.A N LEU 425.A O no hydrogen 2.932 N/A ILE 430.A N SER 426.A O no hydrogen 2.947 N/A LEU 431.A N VAL 427.A O no hydrogen 2.868 N/A ARG 432.A N ILE 428.A O no hydrogen 2.851 N/A TRP 433.A N ASN 429.A O no hydrogen 2.999 N/A ALA 434.A N ILE 430.A O no hydrogen 2.908 N/A GLY 435.A N LEU 431.A O no hydrogen 2.861 N/A LYS 436.A N ARG 432.A O no hydrogen 2.912 N/A TYR 437.A N TRP 433.A O no hydrogen 2.953 N/A ARG 442.A N ASP 440.A OD2 no hydrogen 3.049 N/A ARG 444.A NH1 GLU 482.A OE1 no hydrogen 2.471 N/A CYS 447.A N TYR 443.A O no hydrogen 3.048 N/A CYS 447.A SG ALA 434.A O no hydrogen 3.263 N/A VAL 448.A N ARG 444.A O no hydrogen 2.905 N/A ASP 449.A N SER 445.A O no hydrogen 2.987 N/A VAL 450.A N ILE 446.A O no hydrogen 3.027 N/A ALA 451.A N CYS 447.A O no hydrogen 3.027 N/A PHE 452.A N VAL 448.A O no hydrogen 2.823 N/A HIS 453.A N ASP 449.A O no hydrogen 3.078 N/A LEU 454.A N VAL 450.A O no hydrogen 2.979 N/A ILE 455.A N ALA 451.A O no hydrogen 2.962 N/A ASP 456.A N PHE 452.A O no hydrogen 2.945 N/A LEU 457.A N HIS 453.A O no hydrogen 2.929 N/A TYR 458.A N LEU 454.A O no hydrogen 2.933 N/A TYR 458.A OH LEU 419.A O no hydrogen 3.324 N/A TYR 458.A OH ARG 422.A O no hydrogen 3.364 N/A SER 465.A N HIS 461.A O no hydrogen 2.992 N/A GLU 467.A N GLU 467.A OE2 no hydrogen 2.746 N/A THR 470.A N ALA 466.A O no hydrogen 3.172 N/A THR 470.A OG1 GLU 467.A O no hydrogen 2.791 N/A GLN 471.A N GLU 467.A O no hydrogen 3.400 N/A PHE 472.A N LEU 468.A O no hydrogen 2.895 N/A GLN 473.A N ALA 469.A O no hydrogen 3.249 N/A GLN 474.A N THR 470.A O no hydrogen 2.541 N/A LEU 476.A N PHE 472.A O no hydrogen 3.261 N/A ALA 477.A N GLN 473.A O no hydrogen 2.980 N/A VAL 479.A N LEU 475.A O no hydrogen 3.005 N/A ASN 480.A N LEU 476.A O no hydrogen 2.695 N/A GLU 482.A N VAL 479.A O no hydrogen 3.088 N/A VAL 483.A N VAL 479.A O no hydrogen 3.313 N/A LYS 485.A N ARG 481.A O no hydrogen 3.429 N/A GLU 487.A N VAL 483.A O no hydrogen 2.532 N/A LEU 488.A N GLU 484.A O no hydrogen 3.031 N/A ALA 489.A N LYS 485.A O no hydrogen 3.263 N/A ILE 490.A N GLU 487.A O no hydrogen 3.285 N/A VAL 491.A N GLU 487.A O no hydrogen 2.855 N/A THR 492.A N LEU 488.A O no hydrogen 3.039 N/A THR 492.A OG1 LEU 488.A O no hydrogen 2.846 N/A GLY 493.A N ALA 489.A O no hydrogen 3.182 N/A GLY 494.A N VAL 491.A O no hydrogen 3.086 N/A VAL 496.A N THR 492.A O no hydrogen 3.217 N/A GLU 497.A N GLY 493.A O no hydrogen 3.307 N/A SER 498.A N GLY 494.A O no hydrogen 2.859 N/A LEU 499.A N MET 495.A O no hydrogen 3.190 N/A MET 500.A N VAL 496.A O no hydrogen 3.202 N/A SER 502.A N SER 498.A O no hydrogen 3.347 N/A SER 502.A OG SER 498.A O no hydrogen 3.216 N/A SER 502.A OG LEU 499.A O no hydrogen 2.796 N/A VAL 503.A N LEU 499.A O no hydrogen 3.183 N/A