Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pu0_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 6.A N THR 11.A O no hydrogen 2.894 N/A THR 11.A OG1 ASP 9.A OD2 no hydrogen 2.327 N/A ILE 13.A N VAL 4.A O no hydrogen 3.441 N/A LYS 16.A NZ VAL 14.A O no hydrogen 3.072 N/A GLU 25.A N LYS 285.A O no hydrogen 3.046 N/A TYR 26.A OH GLN 259.A O no hydrogen 2.777 N/A TYR 30.A N ALA 28.A O no hydrogen 2.300 N/A PHE 31.A N ALA 28.A O no hydrogen 2.882 N/A ARG 32.A NH2 ASP 29.A OD1 no hydrogen 3.446 N/A LYS 33.A N TYR 30.A O no hydrogen 2.772 N/A SER 34.A OG GLU 36.A O no hydrogen 2.893 N/A GLU 36.A N SER 34.A OG no hydrogen 3.040 N/A LEU 39.A N VAL 107.A O no hydrogen 3.195 N/A TYR 40.A N ASN 189.A OD1 no hydrogen 3.177 N/A ILE 41.A N LEU 39.A O no hydrogen 2.952 N/A ILE 41.A N LEU 109.A O no hydrogen 3.243 N/A THR 44.A OG1 ASN 42.A O no hydrogen 3.356 N/A LYS 45.A NZ THR 44.A O no hydrogen 3.173 N/A LEU 50.A N SER 46.A O no hydrogen 2.802 N/A ARG 51.A N LEU 47.A O no hydrogen 2.767 N/A ARG 51.A NH2 ASP 129.A OD2 no hydrogen 2.668 N/A GLY 52.A N ASP 49.A O no hydrogen 3.187 N/A TYR 53.A N ASP 49.A O no hydrogen 3.136 N/A VAL 54.A N LEU 50.A O no hydrogen 3.290 N/A TYR 55.A N ARG 51.A O no hydrogen 3.087 N/A GLN 56.A N GLY 52.A O no hydrogen 3.043 N/A GLY 57.A N TYR 53.A O no hydrogen 2.855 N/A LEU 58.A N VAL 54.A O no hydrogen 2.579 N/A SER 60.A OG GLY 57.A O no hydrogen 2.959 N/A SER 60.A OG ASN 62.A O no hydrogen 3.513 N/A SER 60.A OG ASN 62.A OD1 no hydrogen 2.756 N/A ILE 66.A N SER 64.A OG no hydrogen 3.113 N/A HIS 67.A N SER 64.A O no hydrogen 2.720 N/A VAL 68.A N SER 64.A O no hydrogen 3.362 N/A ASN 69.A N ILE 65.A O no hydrogen 3.104 N/A SER 70.A OG THR 43.A O no hydrogen 2.916 N/A SER 70.A OG ILE 66.A O no hydrogen 3.133 N/A TYR 71.A N HIS 67.A O no hydrogen 2.836 N/A TYR 71.A OH ASP 129.A OD1 no hydrogen 2.449 N/A LEU 72.A N VAL 68.A O no hydrogen 2.867 N/A TYR 73.A N ASN 69.A O no hydrogen 2.890 N/A GLY 74.A N SER 70.A O no hydrogen 2.837 N/A ALA 75.A N TYR 71.A O no hydrogen 3.012 N/A LEU 76.A N LEU 72.A O no hydrogen 2.935 N/A ARG 80.A NH2 ASP 130.A OD2 no hydrogen 3.091 N/A LEU 83.A N ASP 99.A O no hydrogen 2.982 N/A SER 88.A OG ASN 93.A OD1 no hydrogen 3.042 N/A SER 89.A OG GLU 266.A OE1 no hydrogen 3.211 N/A SER 89.A OG SER 272.A OG no hydrogen 3.379 N/A PHE 90.A N GLU 266.A OE2 no hydrogen 2.882 N/A ILE 94.A N TRP 87.A O no hydrogen 2.975 N/A LYS 96.A N ASP 99.A OD2 no hydrogen 2.975 N/A GLY 98.A N LEU 83.A O no hydrogen 3.127 N/A ASP 99.A N ALA 97.A O no hydrogen 2.687 N/A THR 100.A OG1 GLY 81.A O no hydrogen 3.483 N/A ILE 101.A N GLY 81.A O no hydrogen 3.135 N/A GLY 102.A N ASP 105.A OD2 no hydrogen 2.492 N/A ASP 105.A N GLY 102.A O no hydrogen 3.192 N/A LEU 109.A N LEU 39.A O no hydrogen 2.974 N/A SER 124.A OG GLN 56.A OE1 no hydrogen 3.469 N/A SER 124.A OG ASP 122.A O no hydrogen 3.278 N/A SER 127.A OG SER 127.A O no hydrogen 2.653 N/A TRP 132.A N ASP 129.A O no hydrogen 2.938 N/A LEU 133.A N ASP 129.A O no hydrogen 3.305 N/A TYR 136.A N TRP 132.A O no hydrogen 2.941 N/A LEU 137.A N LEU 133.A O no hydrogen 3.040 N/A LEU 138.A N PRO 134.A O no hydrogen 2.953 N/A GLY 139.A N LEU 135.A O no hydrogen 2.542 N/A LEU 140.A N TYR 136.A O no hydrogen 2.858 N/A TYR 141.A N LEU 138.A O no hydrogen 2.775 N/A TYR 141.A OH ASP 279.A OD2 no hydrogen 2.585 N/A ARG 142.A NH1 TYR 214.A O no hydrogen 2.811 N/A VAL 143.A N GLY 139.A O no hydrogen 3.413 N/A GLY 144.A N LEU 140.A O no hydrogen 2.771 N/A ARG 145.A N ARG 142.A O no hydrogen 3.201 N/A THR 146.A OG1 GLU 150.A OE2 no hydrogen 2.851 N/A TYR 151.A N MET 148.A O no hydrogen 2.430 N/A ARG 152.A NH2 PRO 175.A O no hydrogen 2.569 N/A LYS 154.A N GLU 150.A O no hydrogen 2.476 N/A LYS 154.A NZ GLU 150.A OE1 no hydrogen 2.286 N/A LEU 155.A N TYR 151.A O no hydrogen 2.787 N/A MET 156.A N ARG 152.A O no hydrogen 3.288 N/A ASP 157.A N LYS 153.A O no hydrogen 3.214 N/A GLY 158.A N LYS 154.A O no hydrogen 3.055 N/A THR 160.A N ASP 157.A O no hydrogen 3.068 N/A THR 160.A OG1 ASP 157.A O no hydrogen 2.977 N/A ASN 161.A ND2 ASP 157.A O no hydrogen 3.600 N/A GLN 162.A NE2 GLY 158.A O no hydrogen 2.833 N/A CYS 163.A SG LEU 159.A O no hydrogen 3.906 N/A ASN 167.A N CYS 163.A O no hydrogen 2.977 N/A GLN 169.A NE2 ASN 167.A O no hydrogen 3.273 N/A ARG 178.A NE THR 146.A O no hydrogen 3.254 N/A PHE 181.A N ASP 182.A OD2 no hydrogen 3.294 N/A TRP 184.A N PHE 181.A O no hydrogen 3.225 N/A ASN 186.A N VAL 183.A O no hydrogen 2.571 N/A ASN 186.A ND2 ASN 186.A O no hydrogen 3.527 N/A ASP 187.A N TRP 184.A O no hydrogen 2.857 N/A ASN 189.A N ASP 187.A OD2 no hydrogen 3.169 N/A TYR 190.A N ASP 187.A O no hydrogen 2.742 N/A TYR 190.A N ASP 187.A OD2 no hydrogen 3.159 N/A TYR 190.A OH LEU 137.A O no hydrogen 2.797 N/A THR 191.A N ASP 187.A O no hydrogen 3.149 N/A THR 191.A OG1 SER 188.A O no hydrogen 3.107 N/A THR 191.A OG1 ASP 279.A O no hydrogen 2.896 N/A LYS 192.A N SER 188.A O no hydrogen 3.270 N/A ILE 193.A N TYR 190.A O no hydrogen 2.700 N/A VAL 194.A N TYR 190.A O no hydrogen 3.136 N/A ALA 195.A N THR 191.A O no hydrogen 2.992 N/A ALA 196.A N LYS 192.A O no hydrogen 3.477 N/A VAL 197.A N ILE 193.A O no hydrogen 2.977 N/A ASP 198.A N VAL 194.A O no hydrogen 3.000 N/A MET 199.A N ALA 195.A O no hydrogen 2.928 N/A PHE 200.A N ALA 196.A O no hydrogen 2.815 N/A PHE 201.A N VAL 197.A O no hydrogen 2.814 N/A MET 203.A N MET 199.A O no hydrogen 3.450 N/A PHE 204.A N PHE 200.A O no hydrogen 2.961 N/A HIS 207.A N PHE 204.A O no hydrogen 3.067 N/A CYS 209.A N HIS 207.A ND1 no hydrogen 2.702 N/A ALA 210.A N HIS 207.A O no hydrogen 2.847 N/A PHE 212.A N CYS 209.A O no hydrogen 2.864 N/A ARG 213.A NH1 ASP 198.A OD1 no hydrogen 2.793 N/A ARG 213.A NH1 ASP 198.A OD2 no hydrogen 3.156 N/A TYR 214.A N SER 211.A O no hydrogen 3.245 N/A TYR 214.A OH LYS 154.A O no hydrogen 3.005 N/A THR 216.A N ARG 213.A O no hydrogen 2.723 N/A THR 216.A OG1 VAL 194.A O no hydrogen 2.734 N/A ILE 217.A N ARG 213.A O no hydrogen 2.995 N/A SER 219.A OG ASP 279.A OD2 no hydrogen 3.148 N/A ARG 220.A N ILE 217.A O no hydrogen 3.181 N/A ARG 220.A NE HIS 202.A ND1 no hydrogen 3.102 N/A PHE 221.A N PRO 275.A O no hydrogen 2.970 N/A LYS 222.A N SER 219.A O no hydrogen 3.249 N/A LYS 222.A NZ TYR 141.A OH no hydrogen 3.359 N/A LYS 222.A NZ ASP 279.A OD1 no hydrogen 2.957 N/A CYS 224.A SG LYS 222.A O no hydrogen 3.739 N/A LEU 227.A N TYR 288.A O no hydrogen 3.459 N/A ALA 228.A N ALA 225.A O no hydrogen 2.701 N/A THR 229.A N ALA 225.A O no hydrogen 2.805 N/A THR 229.A OG1 ALA 226.A O no hydrogen 3.487 N/A HIS 232.A NE2 SER 309.A OG no hydrogen 2.934 N/A LEU 233.A N THR 229.A O no hydrogen 3.451 N/A CYS 234.A N PHE 230.A O no hydrogen 3.138 N/A CYS 234.A SG PHE 230.A O no hydrogen 3.238 N/A LYS 235.A N GLY 231.A O no hydrogen 3.240 N/A ILE 236.A N HIS 232.A O no hydrogen 2.921 N/A THR 237.A N CYS 234.A O no hydrogen 3.321 N/A THR 237.A OG1 LEU 233.A O no hydrogen 2.944 N/A THR 237.A OG1 CYS 234.A O no hydrogen 3.505 N/A MET 239.A N THR 237.A OG1 no hydrogen 3.408 N/A ASP 243.A N SER 240.A OG no hydrogen 2.636 N/A VAL 244.A N SER 240.A O no hydrogen 3.135 N/A THR 245.A N THR 241.A O no hydrogen 3.339 N/A THR 245.A OG1 THR 241.A O no hydrogen 2.524 N/A THR 246.A N ASP 243.A O no hydrogen 2.982 N/A THR 246.A OG1 ASP 243.A O no hydrogen 2.403 N/A TRP 247.A N VAL 244.A O no hydrogen 2.889 N/A ILE 248.A N THR 245.A O no hydrogen 3.305 N/A VAL 253.A N ASN 250.A O no hydrogen 2.807 N/A ALA 254.A N ASN 250.A O no hydrogen 2.985 N/A ASP 255.A N ARG 251.A O no hydrogen 2.775 N/A MET 257.A N VAL 253.A O no hydrogen 2.851 N/A VAL 258.A N ALA 254.A O no hydrogen 2.809 N/A GLN 259.A N ASP 255.A O no hydrogen 3.064 N/A GLN 259.A NE2 LYS 292.A O no hydrogen 3.338 N/A MET 260.A N GLU 256.A O no hydrogen 2.978 N/A MET 261.A N MET 257.A O no hydrogen 3.179 N/A MET 261.A N VAL 258.A O no hydrogen 2.648 N/A LYS 269.A N GLU 266.A O no hydrogen 2.831 N/A LYS 269.A NZ ASP 271.A O no hydrogen 3.431 N/A SER 272.A OG SER 89.A OG no hydrogen 3.379 N/A SER 272.A OG GLU 266.A OE1 no hydrogen 3.274 N/A MET 274.A N SER 272.A OG no hydrogen 2.964 N/A TYR 276.A N TYR 273.A O no hydrogen 3.051 N/A TYR 276.A OH ASP 198.A OD2 no hydrogen 2.617 N/A LEU 277.A N MET 274.A O no hydrogen 2.971 N/A PHE 280.A N TYR 276.A O no hydrogen 3.051 N/A GLY 281.A N ILE 278.A O no hydrogen 3.197 N/A SER 283.A N LEU 277.A O no hydrogen 2.981 N/A SER 283.A OG GLU 25.A O no hydrogen 2.592 N/A SER 284.A N GLU 25.A OE1 no hydrogen 3.183 N/A SER 284.A OG GLU 25.A OE1 no hydrogen 2.753 N/A LYS 285.A N SER 283.A OG no hydrogen 3.411 N/A LYS 285.A NZ ASP 22.A OD1 no hydrogen 3.546 N/A SER 286.A OG ASP 223.A O no hydrogen 2.701 N/A TYR 288.A N SER 286.A OG no hydrogen 3.174 N/A SER 289.A OG SER 286.A O no hydrogen 3.113 N/A LYS 292.A NZ ASP 22.A O no hydrogen 3.174 N/A ASN 293.A ND2 PRO 287.A O no hydrogen 3.116 N/A ASN 293.A ND2 SER 289.A O no hydrogen 2.566 N/A PHE 296.A N GLU 256.A OE2 no hydrogen 2.878 N/A HIS 297.A N ASN 293.A O no hydrogen 2.734 N/A PHE 298.A N PRO 294.A O no hydrogen 2.805 N/A TRP 299.A N ALA 295.A O no hydrogen 2.881 N/A GLY 300.A N PHE 296.A O no hydrogen 2.890 N/A GLN 301.A N HIS 297.A O no hydrogen 2.972 N/A LEU 302.A N PHE 298.A O no hydrogen 2.858 N/A THR 303.A N TRP 299.A O no hydrogen 2.877 N/A THR 303.A OG1 TRP 299.A O no hydrogen 3.043 N/A ALA 304.A N GLY 300.A O no hydrogen 2.943 N/A LEU 305.A N GLN 301.A O no hydrogen 2.790 N/A LEU 306.A N LEU 302.A O no hydrogen 3.131 N/A LEU 307.A N THR 303.A O no hydrogen 3.045 N/A ARG 308.A N LEU 305.A O no hydrogen 2.824 N/A SER 309.A N ALA 304.A O no hydrogen 3.097 N/A SER 309.A OG HIS 232.A NE2 no hydrogen 2.934 N/A ALA 312.A N SER 309.A OG no hydrogen 3.231 N/A ARG 313.A N THR 310.A O no hydrogen 3.066 N/A ASN 314.A N ARG 311.A O no hydrogen 3.363 N/A ALA 315.A N ALA 312.A O no hydrogen 3.219 N/A ARG 316.A NH1 HIS 297.A NE2 no hydrogen 2.584 N/A GLN 317.A N LYS 409.A O no hydrogen 3.241 N/A TYR 323.A OH PRO 318.A O no hydrogen 2.740 N/A SER 325.A OG GLU 322.A OE2 no hydrogen 3.033 N/A SER 325.A OG THR 324.A O no hydrogen 2.701 N/A LEU 326.A N GLU 322.A O no hydrogen 3.308 N/A THR 327.A N TYR 323.A O no hydrogen 2.927 N/A THR 327.A OG1 TYR 323.A O no hydrogen 2.718 N/A ALA 329.A N SER 325.A O no hydrogen 2.889 N/A GLY 330.A N LEU 326.A O no hydrogen 2.793 N/A LEU 331.A N THR 327.A O no hydrogen 2.670 N/A LEU 332.A N THR 328.A O no hydrogen 3.249 N/A TYR 333.A N ALA 329.A O no hydrogen 3.306 N/A ALA 334.A N GLY 330.A O no hydrogen 2.939 N/A TYR 335.A N LEU 331.A O no hydrogen 2.684 N/A TYR 335.A OH ASP 391.A OD1 no hydrogen 2.757 N/A ALA 336.A N LEU 332.A O no hydrogen 2.817 N/A VAL 337.A N TYR 333.A O no hydrogen 3.211 N/A GLY 338.A N ALA 334.A O no hydrogen 2.735 N/A SER 339.A N TYR 335.A O no hydrogen 3.047 N/A SER 339.A N ALA 336.A O no hydrogen 3.209 N/A SER 339.A OG TYR 335.A O no hydrogen 2.930 N/A SER 339.A OG ALA 336.A O no hydrogen 3.418 N/A SER 340.A N ALA 336.A O no hydrogen 3.225 N/A SER 340.A OG ALA 336.A O no hydrogen 3.219 N/A SER 340.A OG GLY 371.A O no hydrogen 3.304 N/A GLN 345.A NE2 PHE 347.A O no hydrogen 2.854 N/A GLN 345.A NE2 ASP 351.A O no hydrogen 3.573 N/A LYS 353.A N GLN 345.A OE1 no hydrogen 3.408 N/A ASP 358.A N ASP 357.A OD2 no hydrogen 2.993 N/A THR 360.A N ASP 358.A O no hydrogen 3.245 N/A ARG 372.A NE SER 340.A O no hydrogen 3.439 N/A ARG 372.A NH1 THR 237.A O no hydrogen 2.930 N/A ARG 372.A NH2 SER 340.A O no hydrogen 3.525 N/A VAL 375.A N ASP 373.A OD1 no hydrogen 3.003 N/A GLU 376.A N ASP 373.A OD1 no hydrogen 3.069 N/A TRP 377.A N ASP 373.A O no hydrogen 2.878 N/A TRP 377.A NE1 GLY 371.A O no hydrogen 2.887 N/A LEU 378.A N VAL 374.A O no hydrogen 2.794 N/A GLY 379.A N VAL 375.A O no hydrogen 2.943 N/A TRP 380.A N GLU 376.A O no hydrogen 3.002 N/A PHE 381.A N TRP 377.A O no hydrogen 2.747 N/A PHE 381.A N LEU 378.A O no hydrogen 3.052 N/A GLU 382.A N LEU 378.A O no hydrogen 2.842 N/A ASP 383.A N GLY 379.A O no hydrogen 2.888 N/A GLN 384.A N TRP 380.A O no hydrogen 3.102 N/A ASN 385.A N GLU 382.A O no hydrogen 3.290 N/A ARG 386.A N PHE 381.A O no hydrogen 2.920 N/A MET 392.A N THR 389.A OG1 no hydrogen 2.988 N/A MET 393.A N THR 389.A O no hydrogen 2.939 N/A GLN 394.A N PRO 390.A O no hydrogen 2.713 N/A TYR 395.A N ASP 391.A O no hydrogen 2.745 N/A ALA 396.A N MET 392.A O no hydrogen 3.272 N/A LYS 397.A N MET 393.A O no hydrogen 3.316 N/A LYS 397.A NZ LYS 421.A O no hydrogen 3.294 N/A ARG 398.A N GLN 394.A O no hydrogen 3.155 N/A ALA 399.A N TYR 395.A O no hydrogen 3.180 N/A VAL 400.A N ALA 396.A O no hydrogen 3.129 N/A VAL 400.A N LYS 397.A O no hydrogen 3.183 N/A MET 401.A N LYS 397.A O no hydrogen 2.810 N/A SER 402.A OG MET 401.A O no hydrogen 2.461 N/A LEU 403.A N VAL 400.A O no hydrogen 3.273 N/A GLN 404.A NE2 LEU 403.A O no hydrogen 3.523 N/A THR 410.A OG1 ARG 407.A O no hydrogen 2.654 N/A ILE 411.A N ALA 315.A O no hydrogen 2.840 N/A LYS 413.A N THR 410.A OG1 no hydrogen 3.032 N/A TYR 414.A N THR 410.A O no hydrogen 2.944 N/A ALA 415.A N ILE 411.A O no hydrogen 3.015 N/A LYS 416.A N GLY 412.A O no hydrogen 3.394 N/A LYS 416.A NZ LEU 403.A O no hydrogen 3.282 N/A SER 417.A N LYS 413.A O no hydrogen 3.466 N/A SER 417.A OG LYS 413.A O no hydrogen 3.462 N/A GLU 418.A N TYR 414.A O no hydrogen 3.021 N/A PHE 419.A N ALA 415.A O no hydrogen 2.976 N/A ASP 420.A N LYS 416.A O no hydrogen 2.785 N/A LYS 421.A NZ SER 417.A O no hydrogen 2.542 N/A