Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8ux1_L.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N ASP 115.A O no hydrogen 2.910 N/A HIS 6.A ND1 SER 8.A OG no hydrogen 3.093 N/A HIS 6.A NE2 GLN 222.A O no hydrogen 2.851 N/A ARG 7.A NH2 GLN 222.A OE1 no hydrogen 2.533 N/A SER 8.A N HIS 6.A ND1 no hydrogen 3.377 N/A SER 8.A OG HIS 6.A ND1 no hydrogen 3.093 N/A SER 8.A OG GLN 102.A OE1 no hydrogen 3.359 N/A HIS 9.A N HIS 6.A O no hydrogen 3.201 N/A HIS 9.A NE2 VAL 154.A O no hydrogen 2.785 N/A SER 10.A OG VAL 49.A O no hydrogen 2.365 N/A THR 11.A OG1 THR 11.A O no hydrogen 2.398 N/A GLY 14.A N VAL 48.A O no hydrogen 2.838 N/A LEU 15.A N VAL 394.A O no hydrogen 2.623 N/A LEU 17.A N LEU 392.A O no hydrogen 2.755 N/A THR 18.A N ALA 40.A O no hydrogen 2.950 N/A THR 18.A OG1 LEU 27.A O no hydrogen 2.874 N/A LEU 19.A N THR 390.A O no hydrogen 3.054 N/A GLY 20.A N ARG 36.A O no hydrogen 2.546 N/A GLN 21.A N GLN 388.A O no hydrogen 2.686 N/A GLN 21.A NE2 ASN 353.A O no hydrogen 3.214 N/A GLY 22.A N MET 34.A O no hydrogen 2.315 N/A VAL 24.A N GLN 26.A OE1 no hydrogen 3.049 N/A GLY 25.A N GLY 22.A O no hydrogen 3.271 N/A GLN 26.A N GLN 26.A OE1 no hydrogen 2.783 N/A ARG 36.A N GLY 20.A O no hydrogen 2.932 N/A LYS 37.A NZ GLU 35.A OE1 no hydrogen 2.422 N/A ALA 40.A N THR 18.A O no hydrogen 2.955 N/A VAL 42.A N VAL 16.A O no hydrogen 2.770 N/A VAL 48.A N GLY 14.A O no hydrogen 3.288 N/A VAL 49.A N LEU 61.A O no hydrogen 2.724 N/A GLN 50.A N LEU 61.A O no hydrogen 3.221 N/A GLN 50.A NE2 GLU 52.A OE1 no hydrogen 3.110 N/A GLN 50.A NE2 VAL 103.A O no hydrogen 3.178 N/A GLU 52.A N VAL 59.A O no hydrogen 2.808 N/A GLY 54.A N HIS 57.A O no hydrogen 2.521 N/A GLY 55.A N GLY 106.A O no hydrogen 2.504 N/A HIS 57.A NE2 THR 110.A OG1 no hydrogen 2.590 N/A THR 58.A N PHE 70.A O no hydrogen 2.756 N/A THR 58.A OG1 GLN 26.A O no hydrogen 2.844 N/A THR 58.A OG1 HIS 389.A NE2 no hydrogen 2.840 N/A VAL 59.A N GLU 52.A O no hydrogen 2.838 N/A CYS 60.A N TYR 68.A O no hydrogen 2.714 N/A LEU 61.A N GLN 50.A O no hydrogen 2.633 N/A SER 62.A N GLN 66.A O no hydrogen 3.168 N/A SER 62.A OG GLU 46.A OE1 no hydrogen 2.273 N/A SER 62.A OG ASP 47.A O no hydrogen 3.371 N/A LYS 63.A N ASP 47.A O no hydrogen 2.749 N/A LYS 63.A NZ THR 11.A O no hydrogen 3.118 N/A SER 64.A N SER 62.A OG no hydrogen 3.181 N/A TYR 68.A N CYS 60.A O no hydrogen 2.624 N/A TYR 68.A OH GLU 46.A OE2 no hydrogen 2.618 N/A SER 69.A N GLY 92.A O no hydrogen 3.226 N/A SER 69.A OG LEU 78.A O no hydrogen 2.908 N/A PHE 70.A N THR 58.A O no hydrogen 2.901 N/A GLY 71.A N GLU 88.A O no hydrogen 2.745 N/A CYS 72.A N MET 56.A O no hydrogen 3.250 N/A GLY 79.A N GLY 76.A O no hydrogen 3.119 N/A ARG 80.A NE SER 69.A OG no hydrogen 3.182 N/A ARG 80.A NH2 SER 87.A O no hydrogen 2.453 N/A THR 82.A OG1 ARG 80.A O no hydrogen 2.928 N/A SER 83.A N ASP 81.A OD1 no hydrogen 3.254 N/A SER 83.A OG ASP 81.A OD1 no hydrogen 2.473 N/A SER 87.A N VAL 84.A O no hydrogen 3.311 N/A SER 87.A OG VAL 84.A O no hydrogen 3.018 N/A MET 89.A N GLY 86.A O no hydrogen 3.241 N/A GLY 92.A N SER 69.A O no hydrogen 3.003 N/A LYS 93.A NZ TYR 68.A OH no hydrogen 3.393 N/A VAL 94.A N VAL 67.A O no hydrogen 2.813 N/A LEU 96.A N VAL 94.A O no hydrogen 2.806 N/A LYS 99.A NZ ASP 115.A OD1 no hydrogen 3.350 N/A VAL 100.A N GLY 65.A O no hydrogen 2.964 N/A VAL 101.A N LEU 113.A O no hydrogen 2.944 N/A GLN 102.A N LEU 113.A O no hydrogen 3.463 N/A GLN 102.A NE2 VAL 156.A O no hydrogen 2.974 N/A VAL 103.A N GLN 50.A OE1 no hydrogen 3.354 N/A SER 104.A N ALA 111.A O no hydrogen 2.804 N/A SER 104.A OG SER 158.A OG no hydrogen 2.467 N/A GLY 106.A N HIS 109.A O no hydrogen 3.138 N/A HIS 109.A NE2 SER 158.A OG no hydrogen 3.078 N/A THR 110.A N TRP 122.A O no hydrogen 2.787 N/A THR 110.A OG1 HIS 57.A NE2 no hydrogen 2.590 N/A THR 110.A OG1 ALA 77.A O no hydrogen 2.869 N/A ALA 111.A N SER 104.A O no hydrogen 2.864 N/A ALA 112.A N PHE 120.A O no hydrogen 2.583 N/A LEU 113.A N GLN 102.A O no hydrogen 2.685 N/A THR 114.A N ARG 118.A O no hydrogen 2.987 N/A THR 114.A OG1 GLU 98.A OE1 no hydrogen 2.612 N/A THR 114.A OG1 ARG 118.A O no hydrogen 3.079 N/A ASP 115.A N LYS 99.A O no hydrogen 3.048 N/A GLY 117.A N THR 114.A O no hydrogen 3.095 N/A PHE 120.A N ALA 112.A O no hydrogen 2.558 N/A LEU 121.A N VAL 145.A O no hydrogen 2.792 N/A TRP 122.A N THR 110.A O no hydrogen 2.941 N/A TRP 122.A NE1 ALA 77.A O no hydrogen 2.365 N/A GLY 123.A N SER 141.A O no hydrogen 2.879 N/A SER 124.A N SER 108.A O no hydrogen 3.093 N/A SER 124.A OG PHE 125.A O no hydrogen 3.430 N/A PHE 125.A N GLY 133.A O no hydrogen 2.885 N/A ARG 126.A NH1 GLU 75.A OE2 no hydrogen 3.131 N/A ASP 127.A N ASP 127.A OD1 no hydrogen 2.584 N/A ASP 127.A N GLY 130.A O no hydrogen 3.006 N/A ASN 128.A N GLU 179.A OE1 no hydrogen 3.151 N/A ILE 132.A N PHE 125.A O no hydrogen 3.001 N/A LEU 134.A N LYS 139.A O no hydrogen 2.946 N/A MET 138.A N ILE 132.A O no hydrogen 2.871 N/A LYS 139.A N GLU 136.A O no hydrogen 3.076 N/A VAL 147.A N VAL 119.A O no hydrogen 3.002 N/A VAL 153.A N GLY 117.A O no hydrogen 2.779 N/A VAL 154.A N LEU 166.A O no hydrogen 2.785 N/A LYS 155.A N LEU 166.A O no hydrogen 3.316 N/A LYS 155.A NZ ASP 223.A OD2 no hydrogen 2.917 N/A LYS 155.A NZ ALA 224.A O no hydrogen 2.772 N/A ALA 157.A N VAL 164.A O no hydrogen 2.981 N/A SER 158.A OG SER 104.A O no hydrogen 3.466 N/A SER 158.A OG SER 104.A OG no hydrogen 2.467 N/A SER 158.A OG HIS 109.A NE2 no hydrogen 3.078 N/A GLY 159.A N HIS 162.A O no hydrogen 3.172 N/A ASN 160.A N ALA 228.A O no hydrogen 2.931 N/A HIS 162.A NE2 THR 231.A OG1 no hydrogen 2.852 N/A LEU 163.A N LEU 175.A O no hydrogen 2.960 N/A VAL 164.A N ALA 157.A O no hydrogen 2.851 N/A MET 165.A N TYR 173.A O no hydrogen 2.682 N/A LEU 166.A N LYS 155.A O no hydrogen 2.909 N/A THR 167.A N ASP 171.A O no hydrogen 3.299 N/A ALA 168.A N PRO 152.A O no hydrogen 3.287 N/A GLY 170.A N THR 167.A O no hydrogen 2.966 N/A TYR 173.A N MET 165.A O no hydrogen 2.821 N/A THR 174.A N LYS 206.A O no hydrogen 3.412 N/A THR 174.A OG1 LEU 183.A O no hydrogen 3.145 N/A THR 174.A OG1 LYS 206.A O no hydrogen 3.544 N/A GLY 176.A N LEU 202.A O no hydrogen 2.756 N/A CYS 177.A N ASP 161.A O no hydrogen 2.669 N/A GLN 180.A N GLN 182.A OE1 no hydrogen 3.157 N/A GLY 181.A N GLY 178.A O no hydrogen 3.276 N/A GLN 182.A N GLN 182.A OE1 no hydrogen 3.274 N/A ARG 185.A NE THR 174.A O no hydrogen 3.398 N/A ARG 185.A NE THR 174.A OG1 no hydrogen 3.195 N/A ARG 185.A NH1 ARG 201.A O no hydrogen 2.977 N/A ARG 185.A NH2 THR 174.A O no hydrogen 2.953 N/A ARG 185.A NH2 ARG 201.A O no hydrogen 3.229 N/A PHE 190.A N PRO 187.A O no hydrogen 3.267 N/A ALA 191.A N GLU 188.A O no hydrogen 3.406 N/A ARG 193.A N ALA 191.A O no hydrogen 2.877 N/A ARG 193.A NE ASP 127.A OD2 no hydrogen 2.850 N/A ARG 193.A NH2 ASP 127.A OD1 no hydrogen 3.430 N/A ARG 193.A NH2 ASP 127.A OD2 no hydrogen 3.354 N/A GLY 195.A N ASN 192.A O no hydrogen 3.272 N/A ARG 201.A N GLY 198.A O no hydrogen 3.184 N/A ARG 201.A NH2 GLY 194.A O no hydrogen 2.721 N/A LEU 202.A N LEU 199.A O no hydrogen 3.072 N/A VAL 208.A N LEU 172.A O no hydrogen 2.974 N/A SER 215.A N SER 212.A O no hydrogen 3.041 N/A SER 215.A OG GLY 214.A O no hydrogen 2.284 N/A GLY 217.A N GLY 214.A O no hydrogen 3.335 N/A PHE 221.A N GLY 170.A O no hydrogen 3.030 N/A GLN 222.A N ILE 234.A O no hydrogen 3.125 N/A GLN 222.A NE2 SER 235.A O no hydrogen 3.257 N/A ASP 223.A N ILE 234.A O no hydrogen 3.483 N/A ALA 224.A N ASP 223.A OD2 no hydrogen 3.307 N/A PHE 225.A N PHE 232.A O no hydrogen 2.749 N/A CYS 226.A SG ALA 157.A O no hydrogen 3.654 N/A CYS 226.A SG HIS 162.A NE2 no hydrogen 3.429 N/A CYS 226.A SG PHE 225.A O no hydrogen 3.151 N/A CYS 226.A SG THR 231.A OG1 no hydrogen 3.552 N/A GLY 227.A N PHE 230.A O no hydrogen 2.878 N/A ALA 228.A N GLY 281.A O no hydrogen 3.044 N/A THR 231.A N PHE 243.A O no hydrogen 2.820 N/A THR 231.A OG1 GLN 182.A O no hydrogen 3.528 N/A PHE 232.A N PHE 225.A O no hydrogen 3.200 N/A ALA 233.A N TYR 241.A O no hydrogen 2.768 N/A ILE 234.A N ASP 223.A O no hydrogen 3.011 N/A SER 235.A N HIS 239.A O no hydrogen 2.693 N/A SER 235.A OG ARG 220.A O no hydrogen 3.349 N/A SER 235.A OG GLU 237.A OE1 no hydrogen 3.039 N/A HIS 236.A N ARG 220.A O no hydrogen 2.991 N/A HIS 236.A ND1 ARG 220.A O no hydrogen 2.773 N/A GLY 238.A N SER 235.A O no hydrogen 3.219 N/A TYR 241.A N ALA 233.A O no hydrogen 2.933 N/A GLY 242.A N GLN 263.A O no hydrogen 3.192 N/A PHE 243.A N THR 231.A O no hydrogen 3.078 N/A GLY 244.A N CYS 259.A O no hydrogen 2.965 N/A LEU 245.A N TYR 229.A O no hydrogen 3.436 N/A SER 246.A OG THR 253.A OG1 no hydrogen 2.393 N/A TYR 248.A N GLN 250.A OE1 no hydrogen 2.771 N/A HIS 249.A N SER 246.A O no hydrogen 3.094 N/A HIS 249.A ND1 GLU 313.A OE2 no hydrogen 2.402 N/A GLN 250.A N GLN 250.A OE1 no hydrogen 3.025 N/A GLN 250.A NE2 ASN 247.A OD1 no hydrogen 3.313 N/A GLN 250.A NE2 GLN 282.A O no hydrogen 2.487 N/A GLY 252.A N HIS 249.A O no hydrogen 3.217 N/A THR 253.A OG1 SER 246.A OG no hydrogen 2.393 N/A THR 253.A OG1 GLY 255.A O no hydrogen 3.328 N/A CYS 259.A N GLY 244.A O no hydrogen 2.912 N/A CYS 259.A SG GLU 257.A O no hydrogen 4.034 N/A LEU 265.A N VAL 240.A O no hydrogen 3.262 N/A SER 267.A OG GLY 252.A O no hydrogen 3.056 N/A SER 267.A OG SER 315.A O no hydrogen 2.937 N/A PHE 268.A N LEU 265.A O no hydrogen 3.327 N/A LYS 269.A N THR 266.A O no hydrogen 3.254 N/A THR 272.A N ASN 270.A OD1 no hydrogen 2.665 N/A THR 272.A OG1 ASN 270.A OD1 no hydrogen 2.787 N/A LYS 273.A N ASN 270.A OD1 no hydrogen 3.268 N/A SER 274.A OG SER 290.A OG no hydrogen 2.562 N/A TRP 275.A NE1 PHE 268.A O no hydrogen 2.687 N/A VAL 276.A N MET 288.A O no hydrogen 3.184 N/A SER 279.A OG VAL 286.A O no hydrogen 3.229 N/A GLY 281.A N HIS 284.A O no hydrogen 3.067 N/A HIS 284.A NE2 VAL 335.A O no hydrogen 2.604 N/A THR 285.A N LEU 297.A O no hydrogen 2.838 N/A THR 285.A OG1 GLN 250.A O no hydrogen 2.730 N/A VAL 286.A N SER 279.A O no hydrogen 2.760 N/A CYS 287.A N TYR 295.A O no hydrogen 2.989 N/A MET 288.A N GLY 277.A O no hydrogen 3.214 N/A ASP 289.A N LYS 293.A O no hydrogen 3.140 N/A SER 290.A N SER 274.A O no hydrogen 2.933 N/A SER 290.A OG SER 274.A OG no hydrogen 2.562 N/A GLY 292.A N ASP 289.A O no hydrogen 2.746 N/A LYS 293.A N ASP 289.A OD2 no hydrogen 2.766 N/A TYR 295.A N CYS 287.A O no hydrogen 2.695 N/A TYR 295.A OH ASP 289.A OD1 no hydrogen 3.390 N/A SER 296.A N THR 318.A O no hydrogen 2.881 N/A SER 296.A OG LEU 305.A O no hydrogen 2.326 N/A LEU 297.A N THR 285.A O no hydrogen 2.936 N/A GLY 298.A N LYS 314.A O no hydrogen 2.792 N/A ARG 299.A N HIS 283.A O no hydrogen 2.667 N/A ARG 299.A NH1 HIS 283.A ND1 no hydrogen 3.030 N/A ARG 304.A NE GLU 301.A O no hydrogen 3.124 N/A GLY 306.A N GLY 303.A O no hydrogen 3.064 N/A GLU 309.A N GLU 309.A OE1 no hydrogen 2.213 N/A ALA 311.A N GLY 308.A O no hydrogen 3.139 N/A LYS 314.A N GLY 298.A O no hydrogen 3.308 N/A THR 318.A N SER 296.A O no hydrogen 2.951 N/A THR 318.A OG1 ILE 316.A O no hydrogen 3.230 N/A ILE 320.A N ALA 294.A O no hydrogen 2.909 N/A LEU 323.A N ILE 320.A O no hydrogen 3.289 N/A VAL 326.A N GLY 292.A O no hydrogen 2.731 N/A SER 327.A N VAL 339.A O no hydrogen 2.693 N/A SER 327.A OG VAL 339.A O no hydrogen 3.079 N/A ALA 330.A N TYR 337.A O no hydrogen 2.999 N/A CYS 331.A SG SER 279.A O no hydrogen 3.156 N/A CYS 331.A SG SER 279.A OG no hydrogen 3.567 N/A CYS 331.A SG HIS 284.A NE2 no hydrogen 3.064 N/A CYS 331.A SG VAL 335.A O no hydrogen 3.715 N/A GLY 332.A N VAL 335.A O no hydrogen 3.160 N/A ALA 333.A N GLY 386.A O no hydrogen 3.334 N/A GLY 336.A N TRP 348.A O no hydrogen 2.882 N/A TYR 337.A N ALA 330.A O no hydrogen 2.619 N/A TYR 337.A OH GLN 355.A O no hydrogen 2.523 N/A ALA 338.A N PHE 346.A O no hydrogen 2.873 N/A VAL 339.A N SER 328.A O no hydrogen 2.764 N/A THR 340.A N ARG 344.A O no hydrogen 2.433 N/A LYS 341.A N ALA 325.A O no hydrogen 3.281 N/A GLY 343.A N THR 340.A O no hydrogen 2.847 N/A ARG 344.A NE ASP 342.A OD1 no hydrogen 3.341 N/A ARG 344.A NE ASP 342.A OD2 no hydrogen 3.432 N/A ARG 344.A NH1 GLU 369.A OE1 no hydrogen 2.555 N/A PHE 346.A N ALA 338.A O no hydrogen 2.627 N/A ALA 347.A N VAL 368.A O no hydrogen 2.733 N/A TRP 348.A N GLY 336.A O no hydrogen 2.917 N/A GLY 349.A N ALA 364.A O no hydrogen 2.925 N/A MET 350.A N SER 334.A O no hydrogen 2.827 N/A GLY 351.A N ASP 363.A OD1 no hydrogen 3.450 N/A ASN 353.A ND2 GLN 355.A OE1 no hydrogen 3.068 N/A TYR 354.A N GLY 351.A O no hydrogen 2.791 N/A GLN 355.A NE2 SER 385.A OG no hydrogen 2.662 N/A GLN 355.A NE2 GLY 386.A O no hydrogen 3.080 N/A GLN 355.A NE2 HIS 389.A O no hydrogen 3.620 N/A ALA 364.A N GLY 349.A O no hydrogen 3.135 N/A VAL 368.A N ALA 347.A O no hydrogen 3.002 N/A MET 370.A N VAL 345.A O no hydrogen 2.894 N/A LEU 375.A N GLY 372.A O no hydrogen 3.008 N/A GLU 376.A N GLY 372.A O no hydrogen 3.211 N/A ARG 378.A N LEU 375.A O no hydrogen 3.159 N/A ARG 378.A NE ASP 396.A OD1 no hydrogen 3.221 N/A ARG 378.A NH1 GLN 374.A O no hydrogen 2.913 N/A ARG 378.A NH1 GLN 374.A OE1 no hydrogen 2.719 N/A ARG 378.A NH2 GLN 374.A OE1 no hydrogen 3.558 N/A VAL 379.A N LYS 395.A O no hydrogen 2.924 N/A VAL 380.A N GLY 343.A O no hydrogen 2.873 N/A LEU 381.A N LEU 393.A O no hydrogen 2.613 N/A SER 382.A N LEU 393.A O no hydrogen 3.330 N/A SER 384.A N VAL 391.A O no hydrogen 3.092 N/A SER 385.A OG GLY 386.A O no hydrogen 3.462 N/A SER 385.A OG HIS 389.A O no hydrogen 2.978 N/A SER 385.A OG THR 390.A OG1 no hydrogen 3.297 N/A GLY 386.A N HIS 389.A O no hydrogen 2.994 N/A HIS 389.A NE2 THR 58.A OG1 no hydrogen 2.840 N/A THR 390.A N LEU 19.A O no hydrogen 2.814 N/A THR 390.A OG1 TYR 337.A OH no hydrogen 2.426 N/A THR 390.A OG1 SER 385.A OG no hydrogen 3.297 N/A VAL 391.A N SER 384.A O no hydrogen 2.832 N/A LEU 392.A N LEU 17.A O no hydrogen 2.579 N/A LEU 393.A N SER 382.A O no hydrogen 3.036 N/A VAL 394.A N LEU 15.A O no hydrogen 2.746 N/A LYS 395.A N VAL 379.A O no hydrogen 2.859 N/A LYS 397.A N ASN 377.A O no hydrogen 3.047 N/A