Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xup_O.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 1.A N ALA 69.A O no hydrogen 2.656 N/A TYR 1.A N ILE 70.A O no hydrogen 2.660 N/A MET 3.A N GLY 72.A O no hydrogen 2.806 N/A ASP 6.A N ARG 13.A O no hydrogen 3.166 N/A GLN 7.A NE2 SER 12.A OG no hydrogen 2.938 N/A THR 10.A OG1 GLN 33.A OE1 no hydrogen 3.076 N/A SER 12.A N LYS 29.A O no hydrogen 2.913 N/A SER 12.A OG THR 10.A O no hydrogen 3.056 N/A ARG 19.A N PHE 17.A O no hydrogen 2.676 N/A GLY 21.A N ARG 19.A O no hydrogen 2.700 N/A LYS 23.A NZ GLY 25.A O no hydrogen 3.274 N/A LYS 29.A N SER 12.A O no hydrogen 3.069 N/A LYS 29.A NZ SER 12.A O no hydrogen 3.242 N/A GLN 33.A NE2 GLN 100.A OE1 no hydrogen 3.535 N/A TRP 40.A N LYS 37.A O no hydrogen 3.026 N/A HIS 43.A ND1 HIS 43.A O no hydrogen 2.501 N/A HIS 43.A NE2 THR 9.A O no hydrogen 3.139 N/A GLU 47.A N ASN 44.A O no hydrogen 2.926 N/A TRP 49.A N ALA 45.A O no hydrogen 2.975 N/A ASN 50.A N ASN 46.A O no hydrogen 3.017 N/A SER 51.A N GLU 47.A O no hydrogen 3.268 N/A SER 51.A OG GLU 47.A O no hydrogen 2.760 N/A VAL 52.A N ILE 48.A O no hydrogen 2.934 N/A GLN 53.A N TRP 49.A O no hydrogen 3.033 N/A SER 54.A OG ASN 50.A O no hydrogen 3.187 N/A VAL 55.A N SER 51.A O no hydrogen 3.365 N/A VAL 55.A N VAL 52.A O no hydrogen 3.181 N/A ILE 56.A N VAL 52.A O no hydrogen 2.910 N/A ALA 59.A N VAL 55.A O no hydrogen 2.826 N/A ILE 61.A N ALA 59.A O no hydrogen 2.975 N/A GLU 62.A N ILE 24.A O no hydrogen 3.355 N/A SER 63.A OG ASP 18.A OD1 no hydrogen 2.863 N/A SER 63.A OG ASP 18.A OD2 no hydrogen 3.386 N/A GLY 64.A N GLU 62.A O no hydrogen 2.995 N/A ALA 69.A N ARG 66.A O no hydrogen 3.235 N/A GLY 74.A N MET 3.A O no hydrogen 3.286 N/A ILE 75.A N ALA 236.A O no hydrogen 2.899 N/A THR 76.A N ILE 5.A O no hydrogen 2.802 N/A THR 76.A OG1 ILE 5.A O no hydrogen 2.910 N/A THR 76.A OG1 GLY 74.A O no hydrogen 3.309 N/A ASN 77.A ND2 GLN 78.A O no hydrogen 2.885 N/A ASN 77.A ND2 ASP 162.A OD2 no hydrogen 3.228 N/A GLN 78.A NE2 GLN 7.A OE1 no hydrogen 3.219 N/A ARG 79.A NH1 GLU 80.A OE2 no hydrogen 2.965 N/A THR 81.A OG1 ILE 97.A O no hydrogen 2.763 N/A VAL 83.A N GLY 159.A O no hydrogen 2.828 N/A LYS 87.A N GLU 155.A O no hydrogen 2.913 N/A THR 89.A OG1 ASP 86.A OD2 no hydrogen 2.682 N/A THR 89.A OG1 GLN 91.A O no hydrogen 3.546 N/A THR 89.A OG1 GLN 91.A OE1 no hydrogen 2.921 N/A SER 101.A OG VAL 41.A O no hydrogen 3.266 N/A ARG 102.A N THR 345.A OG1 no hydrogen 3.180 N/A ARG 102.A NH1 ASP 129.A OD2 no hydrogen 3.362 N/A ARG 102.A NH2 ASP 129.A OD2 no hydrogen 2.935 N/A GLN 103.A N SER 101.A O no hydrogen 2.828 N/A GLN 103.A NE2 VAL 41.A O no hydrogen 2.897 N/A GLN 103.A NE2 GLU 42.A OE2 no hydrogen 2.766 N/A SER 104.A OG ALA 130.A O no hydrogen 3.138 N/A SER 105.A OG ARG 102.A O no hydrogen 3.201 N/A ILE 107.A N SER 104.A O no hydrogen 3.410 N/A ALA 108.A N SER 104.A O no hydrogen 3.283 N/A GLN 110.A N ILE 107.A O no hydrogen 3.052 N/A LEU 111.A N ALA 108.A O no hydrogen 3.381 N/A LYS 112.A N ALA 108.A O no hydrogen 3.492 N/A LYS 112.A NZ ILE 128.A O no hydrogen 3.088 N/A HIS 116.A NE2 LEU 111.A O no hydrogen 2.693 N/A THR 117.A N ASP 114.A O no hydrogen 2.837 N/A THR 117.A OG1 ASP 114.A O no hydrogen 2.898 N/A MET 119.A N GLY 115.A O no hydrogen 3.240 N/A HIS 121.A ND1 GLY 125.A O no hydrogen 2.707 N/A GLU 122.A N GLU 118.A O no hydrogen 2.762 N/A THR 124.A N ILE 120.A O no hydrogen 2.867 N/A THR 124.A OG1 ILE 120.A O no hydrogen 3.194 N/A ASP 129.A N VAL 127.A O no hydrogen 2.532 N/A ALA 130.A N ILE 128.A O no hydrogen 2.884 N/A SER 133.A N TYR 131.A O no hydrogen 3.050 N/A SER 133.A OG GLU 80.A O no hydrogen 2.736 N/A ALA 134.A N THR 185.A O no hydrogen 3.358 N/A THR 135.A N PHE 132.A O no hydrogen 3.010 N/A THR 135.A OG1 PHE 132.A O no hydrogen 3.486 N/A LYS 136.A NZ GLU 80.A O no hydrogen 3.157 N/A VAL 137.A N SER 133.A O no hydrogen 3.117 N/A ARG 138.A N THR 135.A O no hydrogen 3.178 N/A TRP 139.A N LYS 136.A O no hydrogen 3.138 N/A LEU 140.A N LYS 136.A O no hydrogen 3.296 N/A LEU 141.A N VAL 137.A O no hydrogen 3.464 N/A ASN 143.A ND2 TRP 139.A O no hydrogen 2.920 N/A ALA 151.A N ALA 147.A O no hydrogen 3.096 N/A ASP 152.A N GLU 149.A O no hydrogen 2.973 N/A GLU 155.A N ASN 153.A O no hydrogen 2.795 N/A GLY 159.A N VAL 83.A O no hydrogen 3.074 N/A THR 160.A OG1 THR 81.A O no hydrogen 3.109 N/A SER 163.A OG VAL 176.A O no hydrogen 2.742 N/A SER 163.A OG THR 177.A OG1 no hydrogen 2.962 N/A TRP 164.A N THR 160.A O no hydrogen 3.011 N/A TRP 164.A N ILE 161.A O no hydrogen 2.911 N/A LEU 165.A N ILE 161.A O no hydrogen 2.774 N/A VAL 166.A N ASP 162.A O no hydrogen 3.132 N/A LYS 168.A N TRP 164.A O no hydrogen 2.947 N/A LEU 169.A N VAL 166.A O no hydrogen 3.310 N/A THR 170.A OG1 SER 231.A O no hydrogen 3.408 N/A THR 177.A OG1 SER 163.A OG no hydrogen 2.962 N/A THR 177.A OG1 GLU 212.A O no hydrogen 2.871 N/A TYR 179.A N LYS 214.A O no hydrogen 3.356 N/A ASN 181.A N ASP 178.A OD2 no hydrogen 3.220 N/A ASN 181.A ND2 GLN 78.A O no hydrogen 3.569 N/A ALA 182.A N ASP 178.A O no hydrogen 2.741 N/A SER 183.A N TYR 179.A O no hydrogen 3.340 N/A THR 185.A N ASN 181.A O no hydrogen 3.179 N/A THR 185.A N ALA 182.A O no hydrogen 2.932 N/A THR 185.A OG1 ASN 181.A O no hydrogen 3.079 N/A THR 185.A OG1 ALA 182.A O no hydrogen 3.469 N/A MET 186.A N SER 183.A O no hydrogen 2.968 N/A TYR 188.A OH PRO 211.A O no hydrogen 3.024 N/A HIS 191.A N ASN 189.A OD1 no hydrogen 2.760 N/A LYS 192.A NZ GLU 194.A OE1 no hydrogen 2.827 N/A LEU 193.A N ASN 189.A O no hydrogen 2.721 N/A GLN 197.A NE2 TRP 195.A O no hydrogen 2.879 N/A LEU 200.A N GLN 197.A O no hydrogen 2.781 N/A ASP 201.A N GLU 198.A O no hydrogen 3.325 N/A LEU 202.A N ILE 199.A O no hydrogen 3.049 N/A LEU 203.A N LEU 200.A O no hydrogen 3.065 N/A ILE 205.A N LEU 203.A O no hydrogen 2.678 N/A SER 207.A N ILE 205.A O no hydrogen 2.661 N/A SER 207.A OG GLN 197.A OE1 no hydrogen 3.374 N/A SER 207.A OG ASP 201.A OD2 no hydrogen 2.932 N/A LEU 210.A N SER 208.A O no hydrogen 2.991 N/A GLU 212.A N HIS 175.A O no hydrogen 2.543 N/A ASN 216.A N SER 215.A OG no hydrogen 2.512 N/A VAL 219.A N SER 217.A O no hydrogen 2.800 N/A TYR 220.A N ILE 235.A O no hydrogen 2.533 N/A SER 225.A OG PHE 228.A O no hydrogen 2.777 N/A SER 225.A OG GLU 232.A OE1 no hydrogen 2.730 N/A ALA 239.A N ILE 75.A O no hydrogen 2.964 N/A GLY 240.A N ASN 181.A OD1 no hydrogen 2.695 N/A GLN 243.A N GLN 243.A OE1 no hydrogen 2.680 N/A ALA 244.A N GLY 240.A O no hydrogen 2.867 N/A ALA 245.A N ASP 241.A O no hydrogen 3.157 N/A LEU 246.A N GLN 242.A O no hydrogen 3.285 N/A GLY 248.A N ALA 244.A O no hydrogen 2.968 N/A GLN 249.A N ALA 245.A O no hydrogen 3.367 N/A MET 250.A N GLY 248.A O no hydrogen 2.867 N/A PHE 252.A N MET 250.A O no hydrogen 2.817 N/A LYS 258.A NZ PHE 266.A O no hydrogen 2.784 N/A THR 260.A OG1 ASP 405.A OD1 no hydrogen 2.774 N/A MET 269.A N LEU 298.A O no hydrogen 3.310 N/A THR 271.A OG1 TYR 296.A O no hydrogen 3.113 N/A GLY 272.A N ASN 270.A OD1 no hydrogen 3.443 N/A GLU 274.A N THR 271.A O no hydrogen 3.215 N/A GLN 276.A N GLU 274.A O no hydrogen 2.455 N/A ASP 281.A N ASP 279.A O no hydrogen 2.758 N/A LEU 282.A N SER 278.A O no hydrogen 3.054 N/A THR 284.A OG1 THR 124.A O no hydrogen 3.361 N/A THR 285.A N ALA 297.A O no hydrogen 3.280 N/A THR 285.A OG1 ILE 286.A O no hydrogen 3.560 N/A ILE 286.A N THR 285.A OG1 no hydrogen 2.698 N/A GLY 287.A N TYR 295.A O no hydrogen 2.892 N/A ILE 290.A N PHE 252.A O no hydrogen 3.118 N/A LYS 293.A N ASN 291.A O no hydrogen 2.604 N/A TYR 295.A N GLY 287.A O no hydrogen 2.860 N/A TYR 296.A N GLY 272.A O no hydrogen 2.853 N/A ALA 297.A N THR 285.A O no hydrogen 3.399 N/A SER 301.A OG ASP 281.A O no hydrogen 3.362 N/A ALA 305.A N THR 263.A O no hydrogen 2.892 N/A GLY 306.A N GLY 262.A O no hydrogen 2.789 N/A ALA 308.A N ALA 305.A O no hydrogen 3.428 N/A GLN 310.A N GLY 306.A O no hydrogen 3.214 N/A TRP 311.A N SER 307.A O no hydrogen 2.800 N/A LEU 312.A N ALA 308.A O no hydrogen 3.457 N/A ASP 314.A N TRP 311.A O no hydrogen 2.845 N/A GLY 315.A N LEU 312.A O no hydrogen 2.794 N/A ARG 317.A N GLY 315.A O no hydrogen 2.836 N/A GLU 320.A N ARG 317.A O no hydrogen 3.337 N/A THR 321.A N ILE 319.A O no hydrogen 2.681 N/A GLN 324.A NE2 ILE 319.A O no hydrogen 3.367 N/A SER 325.A N SER 322.A O no hydrogen 3.380 N/A SER 325.A OG SER 322.A O no hydrogen 3.329 N/A GLU 326.A N PRO 323.A O no hydrogen 2.951 N/A ALA 330.A N GLU 327.A O no hydrogen 3.271 N/A ALA 332.A N ALA 329.A O no hydrogen 3.211 N/A ASP 335.A N GLN 378.A OE1 no hydrogen 2.888 N/A VAL 338.A N ASN 336.A O no hydrogen 2.863 N/A TYR 339.A N GLU 337.A O no hydrogen 2.720 N/A TYR 339.A OH LEU 478.A O no hydrogen 2.703 N/A VAL 340.A N VAL 338.A O no hydrogen 3.036 N/A LEU 347.A N TRP 352.A O no hydrogen 2.961 N/A GLY 348.A N TRP 352.A O no hydrogen 2.958 N/A TRP 352.A N GLY 348.A O no hydrogen 2.759 N/A ALA 356.A N GLU 355.A OE1 no hydrogen 3.163 N/A THR 364.A OG1 GLU 337.A OE2 no hydrogen 3.399 N/A THR 364.A OG1 GLY 362.A O no hydrogen 3.537 N/A THR 367.A N THR 364.A O no hydrogen 2.945 N/A THR 367.A OG1 THR 364.A O no hydrogen 2.669 N/A THR 368.A N GLY 366.A O no hydrogen 2.540 N/A THR 368.A OG1 GLY 366.A O no hydrogen 3.504 N/A ALA 375.A N PHE 372.A O no hydrogen 3.285 N/A THR 376.A N VAL 373.A O no hydrogen 3.299 N/A GLN 378.A N ARG 374.A O no hydrogen 3.124 N/A ALA 379.A N ALA 375.A O no hydrogen 2.840 N/A VAL 380.A N THR 376.A O no hydrogen 2.875 N/A TYR 382.A N GLN 378.A O no hydrogen 2.997 N/A GLN 383.A N ALA 379.A O no hydrogen 2.588 N/A GLN 383.A NE2 VAL 304.A O no hydrogen 3.230 N/A SER 384.A N VAL 380.A O no hydrogen 3.110 N/A SER 384.A OG VAL 380.A O no hydrogen 3.512 N/A LYS 385.A N ALA 381.A O no hydrogen 3.034 N/A LYS 385.A NZ GLN 418.A O no hydrogen 3.175 N/A ASP 386.A N TYR 382.A O no hydrogen 2.842 N/A ILE 388.A N SER 384.A O no hydrogen 2.971 N/A ASP 389.A N LYS 385.A O no hydrogen 2.911 N/A THR 390.A OG1 ASP 386.A O no hydrogen 2.982 N/A THR 390.A OG1 VAL 387.A O no hydrogen 2.933 N/A MET 391.A N VAL 387.A O no hydrogen 2.930 N/A LYS 392.A N ILE 388.A O no hydrogen 3.386 N/A ASP 394.A N MET 391.A O no hydrogen 3.116 N/A SER 395.A N MET 391.A O no hydrogen 2.995 N/A GLY 396.A N LYS 392.A O no hydrogen 3.077 N/A LYS 403.A N ILE 257.A O no hydrogen 3.349 N/A LYS 403.A NZ GLN 427.A OE1 no hydrogen 2.649 N/A ASP 405.A N ASN 259.A O no hydrogen 3.154 N/A LEU 413.A N ASN 411.A OD1 no hydrogen 3.274 N/A LEU 414.A N ASN 411.A O no hydrogen 2.863 N/A MET 415.A N ASP 412.A O no hydrogen 3.194 N/A PHE 417.A N LEU 413.A O no hydrogen 3.200 N/A GLN 418.A N MET 415.A O no hydrogen 3.361 N/A ALA 419.A N MET 415.A O no hydrogen 3.281 N/A ASP 423.A N ASP 420.A O no hydrogen 3.234 N/A GLN 427.A N LEU 402.A O no hydrogen 2.894 N/A ASN 431.A N ALA 429.A O no hydrogen 2.545 N/A GLU 433.A N ASN 431.A OD1 no hydrogen 2.909 N/A THR 434.A OG1 ASN 431.A O no hydrogen 3.219 N/A THR 435.A OG1 ASP 405.A OD2 no hydrogen 2.982 N/A ALA 436.A N GLU 433.A O no hydrogen 3.187 N/A LEU 437.A N THR 434.A O no hydrogen 3.102 N/A GLY 438.A N THR 435.A O no hydrogen 3.237 N/A ALA 440.A N ALA 436.A O no hydrogen 3.275 N/A TYR 441.A N LEU 437.A O no hydrogen 3.010 N/A TYR 441.A N GLY 438.A O no hydrogen 3.268 N/A LEU 442.A N ALA 439.A O no hydrogen 3.154 N/A ALA 443.A N ALA 440.A O no hydrogen 3.290 N/A GLY 444.A N TYR 441.A O no hydrogen 3.194 N/A ALA 446.A N GLY 444.A O no hydrogen 2.805 N/A PHE 449.A N GLY 444.A O no hydrogen 3.156 N/A TRP 450.A N GLY 444.A O no hydrogen 3.202 N/A LYS 457.A NZ ASP 454.A OD1 no hydrogen 2.835 N/A MET 459.A N LEU 456.A O no hydrogen 2.841 N/A GLN 464.A NE2 GLY 463.A O no hydrogen 3.096 N/A ARG 475.A N ALA 472.A O no hydrogen 2.850 N/A ASN 477.A N GLU 474.A O no hydrogen 3.110 N/A LEU 478.A N ARG 475.A O no hydrogen 3.245 N/A GLU 480.A N ASP 476.A O no hydrogen 3.104 N/A GLY 481.A N LEU 478.A O no hydrogen 2.794 N/A TRP 482.A N TYR 479.A O no hydrogen 2.859 N/A LYS 483.A N GLU 480.A O no hydrogen 2.827 N/A