Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1hqu_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 7.A OG1 ASP 121.A OD1 no hydrogen 3.346 N/A LYS 11.A NZ VAL 10.A O no hydrogen 2.995 N/A LYS 20.A NZ ASP 17.A OD2 no hydrogen 2.814 N/A LYS 20.A NZ GLY 18.A O no hydrogen 3.248 N/A GLN 23.A NE2 TRP 24.A O no hydrogen 3.251 N/A GLN 23.A NE2 VAL 60.A O no hydrogen 3.271 N/A LYS 30.A NZ ALA 62.A O no hydrogen 3.538 N/A LYS 30.A NZ GLU 404.A OE1 no hydrogen 3.048 N/A ILE 31.A N THR 27.A O no hydrogen 2.964 N/A ILE 31.A N GLU 28.A O no hydrogen 2.806 N/A LYS 32.A N GLU 28.A O no hydrogen 3.064 N/A ALA 33.A N GLU 29.A O no hydrogen 2.883 N/A LEU 34.A N LYS 30.A O no hydrogen 3.093 N/A VAL 35.A N ILE 31.A O no hydrogen 2.829 N/A GLU 36.A N LYS 32.A O no hydrogen 2.768 N/A ILE 37.A N ALA 33.A O no hydrogen 2.996 N/A CYS 38.A N LEU 34.A O no hydrogen 2.922 N/A CYS 38.A SG LEU 34.A O no hydrogen 3.378 N/A THR 39.A N VAL 35.A O no hydrogen 2.843 N/A THR 39.A OG1 VAL 35.A O no hydrogen 2.574 N/A GLU 40.A N GLU 36.A O no hydrogen 3.200 N/A MET 41.A N ILE 37.A O no hydrogen 2.986 N/A GLU 42.A N CYS 38.A O no hydrogen 2.686 N/A LYS 43.A N THR 39.A O no hydrogen 3.332 N/A GLU 44.A N GLU 40.A O no hydrogen 2.949 N/A GLY 45.A N GLU 42.A O no hydrogen 3.125 N/A LYS 46.A NZ GLU 44.A OE1 no hydrogen 2.919 N/A ILE 47.A N MET 41.A O no hydrogen 3.402 N/A SER 48.A N GLN 145.A O no hydrogen 2.827 N/A ILE 50.A N ARG 143.A O no hydrogen 2.850 N/A GLY 51.A N GLU 53.A OE1 no hydrogen 3.178 N/A ASN 54.A N GLY 51.A O no hydrogen 3.473 N/A ASN 54.A ND2 LYS 126.A O no hydrogen 2.931 N/A TYR 56.A OH ASP 17.A OD1 no hydrogen 3.127 N/A ASN 57.A N PRO 19.A O no hydrogen 2.496 N/A ASN 57.A ND2 TYR 56.A O no hydrogen 3.625 N/A ASN 57.A ND2 THR 131.A OG1 no hydrogen 2.711 N/A THR 58.A OG1 ALA 129.A O no hydrogen 3.159 N/A VAL 60.A N GLN 23.A OE1 no hydrogen 3.298 N/A PHE 61.A N LEU 74.A O no hydrogen 2.604 N/A ILE 63.A N ARG 72.A O no hydrogen 2.748 N/A LYS 64.A NZ THR 69.A O no hydrogen 3.069 N/A SER 68.A OG ASP 67.A O no hydrogen 2.477 N/A ARG 72.A N ILE 63.A O no hydrogen 2.687 N/A LEU 74.A N PHE 61.A O no hydrogen 3.246 N/A ASP 76.A N PRO 59.A O no hydrogen 2.723 N/A PHE 77.A N VAL 75.A O no hydrogen 3.028 N/A ARG 78.A NH1 PRO 412.A O no hydrogen 2.631 N/A ASN 81.A N PHE 77.A O no hydrogen 2.964 N/A LYS 82.A N ARG 78.A O no hydrogen 3.200 N/A LYS 82.A NZ GLU 79.A OE2 no hydrogen 3.001 N/A ARG 83.A N GLU 79.A O no hydrogen 2.573 N/A ARG 83.A NE ASP 17.A O no hydrogen 2.647 N/A ARG 83.A NH2 ASP 17.A O no hydrogen 2.913 N/A THR 84.A N ASN 81.A O no hydrogen 2.817 N/A THR 84.A OG1 LEU 80.A O no hydrogen 3.055 N/A GLN 85.A NE2 TRP 88.A O no hydrogen 3.454 N/A ASP 86.A N ASN 81.A O no hydrogen 3.329 N/A PHE 87.A N THR 84.A O no hydrogen 2.985 N/A TRP 88.A N GLN 85.A O no hydrogen 2.702 N/A TRP 88.A NE1 LYS 11.A O no hydrogen 3.114 N/A GLY 93.A N VAL 90.A O no hydrogen 3.387 N/A HIS 96.A NE2 VAL 381.A O no hydrogen 2.782 N/A GLY 99.A N PRO 97.A O no hydrogen 2.493 N/A LEU 100.A N PRO 97.A O no hydrogen 2.947 N/A LYS 101.A NZ ILE 382.A O no hydrogen 2.868 N/A ASN 103.A N GLY 99.A O no hydrogen 2.894 N/A SER 105.A N ASN 103.A OD1 no hydrogen 2.999 N/A SER 105.A OG LEU 234.A O no hydrogen 3.401 N/A VAL 106.A N LEU 234.A O no hydrogen 2.999 N/A THR 107.A N VAL 189.A O no hydrogen 2.774 N/A VAL 108.A N TYR 232.A O no hydrogen 3.148 N/A LEU 109.A N LEU 187.A O no hydrogen 3.090 N/A VAL 111.A N ASP 185.A O no hydrogen 2.546 N/A TYR 115.A N GLY 112.A O no hydrogen 3.119 N/A PHE 116.A N ASP 113.A O no hydrogen 3.105 N/A SER 117.A OG ALA 114.A O no hydrogen 3.377 N/A LEU 120.A N ASN 147.A O no hydrogen 2.891 N/A PHE 124.A N ASP 121.A O no hydrogen 3.108 N/A ARG 125.A N ASP 121.A O no hydrogen 3.212 N/A ARG 125.A NE ASN 147.A O no hydrogen 3.148 N/A ARG 125.A NH2 ASN 147.A O no hydrogen 2.997 N/A TYR 127.A N PHE 124.A O no hydrogen 2.871 N/A THR 128.A N ARG 125.A O no hydrogen 2.732 N/A THR 128.A OG1 ARG 125.A O no hydrogen 2.678 N/A ALA 129.A N LYS 126.A O no hydrogen 3.220 N/A PHE 130.A N TYR 144.A O no hydrogen 3.189 N/A ILE 132.A N ILE 142.A O no hydrogen 2.861 N/A SER 134.A OG THR 139.A O no hydrogen 2.417 N/A ASN 136.A ND2 GLU 138.A OE1 no hydrogen 2.931 N/A GLU 138.A N ILE 135.A O no hydrogen 2.644 N/A ILE 142.A N ILE 132.A O no hydrogen 3.094 N/A ARG 143.A NH1 TYR 56.A O no hydrogen 3.416 N/A ARG 143.A NH1 THR 131.A OG1 no hydrogen 3.025 N/A ARG 143.A NH2 ASN 54.A O no hydrogen 2.446 N/A ARG 143.A NH2 TYR 56.A O no hydrogen 2.799 N/A GLN 145.A N SER 48.A O no hydrogen 2.703 N/A TYR 146.A N THR 128.A OG1 no hydrogen 2.741 N/A ASN 147.A N LYS 46.A O no hydrogen 2.758 N/A ASN 147.A ND2 GLY 45.A O no hydrogen 3.282 N/A ASN 147.A ND2 LYS 46.A O no hydrogen 2.785 N/A ASN 147.A ND2 SER 48.A OG no hydrogen 3.252 N/A LEU 149.A N VAL 118.A O no hydrogen 3.163 N/A GLN 151.A NE2 ASP 185.A OD2 no hydrogen 3.017 N/A LYS 154.A N ASN 81.A OD1 no hydrogen 3.382 N/A LYS 154.A NZ TYR 183.A OH no hydrogen 3.208 N/A SER 156.A OG PRO 150.A O no hydrogen 2.650 N/A ILE 159.A N GLY 155.A O no hydrogen 3.116 N/A PHE 160.A N SER 156.A O no hydrogen 3.063 N/A GLN 161.A N ALA 158.A O no hydrogen 3.244 N/A GLN 161.A NE2 GLN 161.A O no hydrogen 2.936 N/A GLN 161.A NE2 THR 165.A OG1 no hydrogen 2.831 N/A MET 164.A N PHE 160.A O no hydrogen 2.632 N/A THR 165.A N GLN 161.A O no hydrogen 2.867 N/A THR 165.A OG1 GLN 161.A O no hydrogen 2.402 N/A THR 165.A OG1 SER 162.A O no hydrogen 3.474 N/A LYS 166.A N SER 162.A O no hydrogen 3.250 N/A ILE 167.A N SER 163.A O no hydrogen 2.994 N/A LEU 168.A N THR 165.A O no hydrogen 2.909 N/A GLU 169.A N THR 165.A O no hydrogen 3.015 N/A GLU 169.A N LYS 166.A O no hydrogen 3.240 N/A PHE 171.A N LEU 168.A O no hydrogen 2.835 N/A LYS 172.A N LEU 168.A O no hydrogen 2.809 N/A LYS 173.A N GLU 169.A O no hydrogen 2.688 N/A GLN 174.A N PRO 170.A O no hydrogen 3.162 N/A ASN 175.A N PHE 171.A O no hydrogen 2.693 N/A ASN 175.A ND2 PHE 171.A O no hydrogen 3.311 N/A ILE 178.A N PRO 176.A O no hydrogen 2.631 N/A VAL 179.A N GLY 190.A O no hydrogen 3.321 N/A TYR 181.A N TYR 188.A O no hydrogen 2.993 N/A GLN 182.A NE2 TYR 115.A OH no hydrogen 3.500 N/A ASP 186.A N TYR 183.A O no hydrogen 3.367 N/A LEU 187.A N LEU 109.A O no hydrogen 3.120 N/A TYR 188.A N TYR 181.A O no hydrogen 2.817 N/A VAL 189.A N THR 107.A O no hydrogen 2.820 N/A GLY 190.A N VAL 179.A O no hydrogen 3.052 N/A SER 191.A N SER 105.A O no hydrogen 2.744 N/A HIS 198.A N GLU 194.A O no hydrogen 2.823 N/A ARG 199.A N ILE 195.A O no hydrogen 2.765 N/A ARG 199.A NE GLU 233.A OE1 no hydrogen 3.476 N/A THR 200.A N GLY 196.A O no hydrogen 3.185 N/A THR 200.A OG1 GLY 196.A O no hydrogen 3.154 N/A THR 200.A OG1 GLN 197.A O no hydrogen 2.871 N/A LYS 201.A N GLN 197.A O no hydrogen 3.030 N/A LYS 201.A NZ ASN 175.A OD1 no hydrogen 3.419 N/A ILE 202.A N HIS 198.A O no hydrogen 2.755 N/A ILE 202.A N ARG 199.A O no hydrogen 3.018 N/A GLU 203.A N ARG 199.A O no hydrogen 2.859 N/A GLU 204.A N THR 200.A O no hydrogen 3.223 N/A LEU 205.A N LYS 201.A O no hydrogen 3.322 N/A ARG 206.A N ILE 202.A O no hydrogen 2.818 N/A ARG 206.A NH2 PRO 217.A O no hydrogen 2.668 N/A GLN 207.A N GLU 203.A O no hydrogen 2.714 N/A HIS 208.A N GLU 204.A O no hydrogen 2.634 N/A LEU 209.A N LEU 205.A O no hydrogen 2.661 N/A LEU 210.A N ARG 206.A O no hydrogen 2.816 N/A ARG 211.A N GLN 207.A O no hydrogen 2.660 N/A TRP 212.A N HIS 208.A O no hydrogen 2.876 N/A GLY 213.A N ARG 211.A O no hydrogen 2.796 N/A THR 215.A OG1 GLY 213.A O no hydrogen 3.400 N/A THR 216.A OG1 LEU 214.A O no hydrogen 2.815 N/A LYS 238.A N HIS 235.A O no hydrogen 3.289 N/A THR 240.A N LYS 238.A O no hydrogen 2.800 N/A SER 251.A N LYS 249.A O no hydrogen 2.829 N/A SER 251.A OG ASP 250.A O no hydrogen 2.962 N/A ILE 257.A N THR 253.A O no hydrogen 3.136 N/A GLN 258.A N VAL 254.A O no hydrogen 2.693 N/A LYS 259.A N ASN 255.A O no hydrogen 2.630 N/A LEU 260.A N ASP 256.A O no hydrogen 3.056 N/A VAL 261.A N ILE 257.A O no hydrogen 3.094 N/A GLY 262.A N LYS 259.A O no hydrogen 3.082 N/A LYS 263.A N LYS 259.A O no hydrogen 3.349 N/A LEU 264.A N LEU 260.A O no hydrogen 3.057 N/A ASN 265.A N VAL 261.A O no hydrogen 2.781 N/A TRP 266.A N GLY 262.A O no hydrogen 2.998 N/A TRP 266.A N LYS 263.A O no hydrogen 2.954 N/A ALA 267.A N LYS 263.A O no hydrogen 2.817 N/A SER 268.A N LEU 264.A O no hydrogen 3.135 N/A SER 268.A OG LEU 264.A O no hydrogen 2.766 N/A SER 268.A OG ASN 265.A O no hydrogen 3.462 N/A GLN 269.A N TRP 266.A O no hydrogen 3.118 N/A ILE 270.A N ALA 267.A O no hydrogen 2.862 N/A TYR 271.A N ALA 267.A O no hydrogen 2.819 N/A LEU 279.A N VAL 276.A O no hydrogen 3.098 N/A SER 280.A N VAL 276.A O no hydrogen 2.833 N/A SER 280.A OG VAL 276.A O no hydrogen 2.961 N/A SER 280.A OG ARG 277.A O no hydrogen 2.968 N/A LYS 287.A NZ GLU 291.A OE1 no hydrogen 2.953 N/A THR 290.A OG1 LEU 289.A O no hydrogen 2.315 N/A GLU 300.A N GLU 297.A O no hydrogen 2.918 N/A LEU 301.A N GLU 298.A O no hydrogen 3.388 N/A LEU 303.A N GLU 300.A O no hydrogen 3.287 N/A ALA 304.A N GLU 300.A O no hydrogen 3.433 N/A ASN 306.A ND2 GLU 302.A O no hydrogen 2.768 N/A ARG 307.A NH2 PRO 247.A O no hydrogen 2.949 N/A VAL 317.A N HIS 315.A O no hydrogen 2.949 N/A SER 322.A N ASP 320.A OD1 no hydrogen 2.728 N/A LYS 323.A N ASP 320.A O no hydrogen 3.159 N/A ILE 326.A N TYR 342.A O no hydrogen 2.694 N/A ALA 327.A N LYS 388.A O no hydrogen 3.102 N/A GLU 328.A N GLN 340.A O no hydrogen 2.904 N/A GLN 330.A N THR 338.A O no hydrogen 2.934 N/A GLN 330.A NE2 GLN 340.A OE1 no hydrogen 2.753 N/A LYS 331.A NZ ASP 364.A OD2 no hydrogen 3.147 N/A GLN 332.A N GLN 336.A O no hydrogen 3.195 N/A TRP 337.A N TYR 354.A O no hydrogen 2.892 N/A TRP 337.A NE1 GLN 367.A OE1 no hydrogen 2.860 N/A THR 338.A N GLN 330.A O no hydrogen 3.141 N/A THR 338.A OG1 GLN 330.A OE1 no hydrogen 2.579 N/A THR 338.A OG1 GLN 332.A OE1 no hydrogen 3.555 N/A THR 338.A OG1 GLN 428.A O no hydrogen 3.531 N/A TYR 339.A N GLY 352.A O no hydrogen 3.154 N/A TYR 339.A OH GLU 378.A OE1 no hydrogen 2.730 N/A GLN 340.A N GLU 328.A O no hydrogen 2.951 N/A GLN 340.A NE2 GLN 330.A OE1 no hydrogen 2.801 N/A ILE 341.A N LYS 350.A O no hydrogen 2.757 N/A TYR 342.A N ILE 326.A O no hydrogen 2.792 N/A TYR 342.A OH GLU 328.A OE1 no hydrogen 2.643 N/A LYS 347.A N GLU 344.A O no hydrogen 3.073 N/A LYS 350.A N ILE 341.A O no hydrogen 3.178 N/A LYS 350.A NZ GLU 378.A OE1 no hydrogen 3.423 N/A GLY 352.A N TYR 339.A O no hydrogen 3.246 N/A TYR 354.A N TRP 337.A O no hydrogen 2.832 N/A TYR 354.A OH GLU 370.A OE1 no hydrogen 2.987 N/A LYS 366.A N ASN 363.A OD1 no hydrogen 3.424 N/A LYS 366.A NZ HIS 361.A O no hydrogen 3.428 N/A GLN 367.A N ASN 363.A O no hydrogen 3.432 N/A LEU 368.A N ASP 364.A O no hydrogen 3.312 N/A THR 369.A N VAL 365.A O no hydrogen 2.923 N/A THR 369.A OG1 VAL 365.A O no hydrogen 3.375 N/A GLU 370.A N LYS 366.A O no hydrogen 2.697 N/A ALA 371.A N GLN 367.A O no hydrogen 2.737 N/A VAL 372.A N LEU 368.A O no hydrogen 2.835 N/A GLN 373.A N THR 369.A O no hydrogen 3.048 N/A GLN 373.A NE2 TYR 405.A O no hydrogen 3.222 N/A LYS 374.A N GLU 370.A O no hydrogen 3.020 N/A ILE 375.A N ALA 371.A O no hydrogen 2.702 N/A THR 376.A N VAL 372.A O no hydrogen 2.770 N/A THR 376.A N GLN 373.A O no hydrogen 3.222 N/A THR 376.A OG1 VAL 372.A O no hydrogen 2.537 N/A THR 377.A N GLN 373.A O no hydrogen 3.126 N/A THR 377.A OG1 GLN 373.A O no hydrogen 3.346 N/A THR 377.A OG1 LYS 374.A O no hydrogen 2.594 N/A GLU 378.A N LYS 374.A O no hydrogen 2.918 N/A SER 379.A N THR 376.A O no hydrogen 2.730 N/A SER 379.A OG ILE 375.A O no hydrogen 2.759 N/A SER 379.A OG THR 376.A O no hydrogen 2.770 N/A ILE 380.A N THR 376.A O no hydrogen 3.122 N/A VAL 381.A N THR 377.A O no hydrogen 3.053 N/A ILE 382.A N GLU 378.A O no hydrogen 3.287 N/A TRP 383.A N SER 379.A O no hydrogen 2.444 N/A TRP 383.A N ILE 380.A O no hydrogen 3.038 N/A GLY 384.A N ILE 380.A O no hydrogen 2.510 N/A LYS 385.A NZ PRO 321.A O no hydrogen 2.901 N/A LYS 385.A NZ LYS 323.A O no hydrogen 3.078 N/A LYS 385.A NZ ASP 324.A OD1 no hydrogen 3.388 N/A LYS 388.A N LEU 325.A O no hydrogen 3.133 N/A PHE 389.A N GLU 413.A O no hydrogen 3.020 N/A LYS 390.A N ALA 327.A O no hydrogen 3.128 N/A LYS 390.A NZ GLU 328.A OE1 no hydrogen 3.462 N/A LYS 390.A NZ TYR 342.A OH no hydrogen 3.554 N/A LEU 391.A N GLU 415.A O no hydrogen 2.762 N/A ILE 393.A N LEU 391.A O no hydrogen 2.783 N/A GLN 394.A NE2 GLU 396.A OE1 no hydrogen 3.225 N/A LYS 395.A NZ GLU 399.A OE1 no hydrogen 3.413 N/A LYS 395.A NZ GLU 399.A OE2 no hydrogen 2.576 N/A TRP 398.A N GLN 394.A O no hydrogen 3.064 N/A GLU 399.A N LYS 395.A O no hydrogen 3.030 N/A THR 400.A N THR 397.A O no hydrogen 2.918 N/A THR 400.A OG1 GLU 396.A O no hydrogen 2.962 N/A TRP 401.A N THR 397.A O no hydrogen 3.157 N/A TRP 402.A N TRP 398.A O no hydrogen 2.930 N/A THR 403.A OG1 ALA 62.A O no hydrogen 3.353 N/A GLU 404.A N TRP 401.A O no hydrogen 3.180 N/A TYR 405.A N TRP 402.A O no hydrogen 3.093 N/A TRP 406.A NE1 TRP 410.A O no hydrogen 2.843 N/A GLN 407.A N TYR 405.A O no hydrogen 3.201 N/A THR 409.A OG1 ASP 186.A OD2 no hydrogen 2.721 N/A GLU 415.A N PHE 389.A O no hydrogen 2.616 N/A VAL 417.A N LEU 391.A O no hydrogen 2.613 N/A