Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pu4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 6.A N THR 11.A O no hydrogen 2.878 N/A ASP 9.A N ARG 6.A O no hydrogen 3.198 N/A THR 11.A N ASP 9.A OD2 no hydrogen 2.942 N/A THR 11.A OG1 ASP 9.A OD2 no hydrogen 2.562 N/A ILE 13.A N VAL 4.A O no hydrogen 3.140 N/A LYS 16.A NZ VAL 14.A O no hydrogen 3.043 N/A GLU 25.A N LYS 285.A O no hydrogen 3.004 N/A TYR 26.A OH GLN 259.A O no hydrogen 2.788 N/A TYR 30.A N ALA 28.A O no hydrogen 2.258 N/A ARG 32.A NH2 ASP 29.A OD1 no hydrogen 2.600 N/A SER 34.A OG GLU 36.A O no hydrogen 2.693 N/A LYS 35.A NZ PHE 31.A O no hydrogen 3.568 N/A GLU 36.A N SER 34.A OG no hydrogen 2.911 N/A LEU 39.A N VAL 107.A O no hydrogen 3.157 N/A TYR 40.A N ASN 189.A OD1 no hydrogen 2.943 N/A ILE 41.A N LEU 39.A O no hydrogen 2.771 N/A THR 44.A OG1 ASN 42.A O no hydrogen 3.224 N/A ASP 49.A N SER 46.A OG no hydrogen 2.911 N/A LEU 50.A N SER 46.A O no hydrogen 3.121 N/A ARG 51.A N LEU 47.A O no hydrogen 2.723 N/A TYR 53.A N ASP 49.A O no hydrogen 3.010 N/A TYR 53.A OH PRO 117.A O no hydrogen 3.324 N/A TYR 53.A OH ASP 118.A O no hydrogen 2.568 N/A VAL 54.A N LEU 50.A O no hydrogen 3.118 N/A TYR 55.A N ARG 51.A O no hydrogen 3.108 N/A TYR 55.A OH GLU 168.A OE2 no hydrogen 3.364 N/A GLN 56.A N GLY 52.A O no hydrogen 2.913 N/A GLN 56.A NE2 ASP 122.A OD1 no hydrogen 3.387 N/A GLY 57.A N TYR 53.A O no hydrogen 2.844 N/A LEU 58.A N VAL 54.A O no hydrogen 2.657 N/A LYS 59.A N TYR 55.A O no hydrogen 3.509 N/A SER 60.A N GLN 56.A O no hydrogen 2.786 N/A SER 60.A OG ASN 62.A OD1 no hydrogen 3.556 N/A GLY 61.A N GLY 57.A O no hydrogen 3.005 N/A ASN 62.A N GLY 57.A O no hydrogen 2.941 N/A HIS 67.A N SER 64.A O no hydrogen 3.024 N/A VAL 68.A N SER 64.A O no hydrogen 3.295 N/A ASN 69.A N ILE 65.A O no hydrogen 3.089 N/A ASN 69.A ND2 ILE 65.A O no hydrogen 2.502 N/A SER 70.A N ILE 66.A O no hydrogen 3.260 N/A SER 70.A OG THR 43.A O no hydrogen 3.532 N/A SER 70.A OG ILE 66.A O no hydrogen 2.960 N/A TYR 71.A N HIS 67.A O no hydrogen 2.811 N/A TYR 71.A OH ASP 129.A OD1 no hydrogen 2.647 N/A LEU 72.A N VAL 68.A O no hydrogen 2.800 N/A TYR 73.A N ASN 69.A O no hydrogen 2.980 N/A GLY 74.A N SER 70.A O no hydrogen 2.995 N/A ALA 75.A N TYR 71.A O no hydrogen 2.883 N/A LEU 76.A N LEU 72.A O no hydrogen 2.905 N/A ARG 80.A N ASP 78.A OD2 no hydrogen 2.828 N/A LEU 83.A N ASP 99.A O no hydrogen 2.905 N/A TRP 87.A NE1 ASP 271.A O no hydrogen 3.047 N/A SER 89.A N ILE 92.A O no hydrogen 3.073 N/A SER 89.A OG GLU 266.A OE1 no hydrogen 3.125 N/A SER 89.A OG GLU 266.A OE2 no hydrogen 3.314 N/A SER 89.A OG SER 272.A OG no hydrogen 3.340 N/A PHE 90.A N GLU 266.A OE1 no hydrogen 3.296 N/A GLY 95.A N TRP 87.A O no hydrogen 3.323 N/A ALA 97.A N ASP 86.A OD2 no hydrogen 2.479 N/A ASP 99.A N LYS 96.A O no hydrogen 3.071 N/A THR 100.A N ASP 99.A OD1 no hydrogen 3.217 N/A THR 100.A OG1 ILE 79.A O no hydrogen 3.540 N/A ILE 101.A N GLY 81.A O no hydrogen 3.249 N/A GLY 102.A N ASP 105.A OD2 no hydrogen 2.639 N/A ASP 105.A N GLY 102.A O no hydrogen 2.794 N/A LEU 109.A N LEU 39.A O no hydrogen 3.199 N/A LYS 110.A NZ THR 44.A OG1 no hydrogen 2.716 N/A SER 121.A OG ASP 122.A OD1 no hydrogen 2.828 N/A SER 124.A OG ASP 122.A O no hydrogen 3.418 N/A SER 127.A N THR 126.A OG1 no hydrogen 2.541 N/A TRP 132.A N ASP 129.A O no hydrogen 3.024 N/A TRP 132.A NE1 ALA 128.A O no hydrogen 2.649 N/A LEU 133.A N ASP 129.A O no hydrogen 3.064 N/A TYR 136.A N TRP 132.A O no hydrogen 3.188 N/A LEU 137.A N LEU 133.A O no hydrogen 3.139 N/A LEU 138.A N PRO 134.A O no hydrogen 2.854 N/A GLY 139.A N LEU 135.A O no hydrogen 2.648 N/A LEU 140.A N TYR 136.A O no hydrogen 2.998 N/A TYR 141.A N LEU 138.A O no hydrogen 2.829 N/A TYR 141.A OH ASP 279.A OD2 no hydrogen 2.567 N/A ARG 142.A N GLY 139.A O no hydrogen 3.106 N/A VAL 143.A N GLY 139.A O no hydrogen 3.478 N/A GLY 144.A N LEU 140.A O no hydrogen 2.752 N/A ARG 145.A N ARG 142.A O no hydrogen 3.009 N/A THR 146.A OG1 GLU 150.A OE2 no hydrogen 2.910 N/A TYR 151.A N MET 148.A O no hydrogen 2.779 N/A ARG 152.A N PRO 149.A O no hydrogen 3.262 N/A LYS 153.A N GLU 150.A O no hydrogen 2.706 N/A LYS 154.A N GLU 150.A O no hydrogen 3.030 N/A LEU 155.A N TYR 151.A O no hydrogen 2.845 N/A MET 156.A N ARG 152.A O no hydrogen 3.356 N/A GLY 158.A N LYS 154.A O no hydrogen 2.386 N/A LEU 159.A N MET 156.A O no hydrogen 3.144 N/A THR 160.A N MET 156.A O no hydrogen 2.840 N/A THR 160.A OG1 MET 156.A O no hydrogen 3.111 N/A THR 160.A OG1 ASP 157.A OD1 no hydrogen 3.435 N/A ASN 161.A N ASP 157.A O no hydrogen 2.841 N/A CYS 163.A N LEU 159.A O no hydrogen 2.924 N/A CYS 163.A SG LEU 159.A O no hydrogen 3.308 N/A LYS 164.A N GLN 162.A O no hydrogen 2.228 N/A ASP 179.A N ASP 182.A OD2 no hydrogen 2.379 N/A ILE 180.A N ASP 182.A OD1 no hydrogen 2.838 N/A TRP 184.A N PHE 181.A O no hydrogen 2.666 N/A ASN 186.A N VAL 183.A O no hydrogen 2.943 N/A ASP 187.A N TRP 184.A O no hydrogen 2.785 N/A ASN 189.A N ASP 187.A OD2 no hydrogen 3.039 N/A TYR 190.A N ASP 187.A O no hydrogen 2.674 N/A TYR 190.A N ASP 187.A OD2 no hydrogen 2.989 N/A TYR 190.A OH LEU 137.A O no hydrogen 2.750 N/A THR 191.A N ASP 187.A O no hydrogen 3.256 N/A THR 191.A OG1 SER 188.A O no hydrogen 3.327 N/A THR 191.A OG1 ASP 279.A O no hydrogen 2.788 N/A LYS 192.A NZ PRO 38.A O no hydrogen 3.200 N/A ILE 193.A N TYR 190.A O no hydrogen 2.742 N/A VAL 194.A N TYR 190.A O no hydrogen 3.097 N/A ALA 195.A N THR 191.A O no hydrogen 2.804 N/A ALA 196.A N LYS 192.A O no hydrogen 3.074 N/A VAL 197.A N ILE 193.A O no hydrogen 2.862 N/A ASP 198.A N VAL 194.A O no hydrogen 2.968 N/A MET 199.A N ALA 195.A O no hydrogen 2.760 N/A PHE 200.A N ALA 196.A O no hydrogen 2.950 N/A PHE 201.A N VAL 197.A O no hydrogen 2.957 N/A HIS 202.A N ASP 198.A O no hydrogen 2.871 N/A MET 203.A N PHE 200.A O no hydrogen 3.061 N/A PHE 204.A N PHE 200.A O no hydrogen 3.090 N/A CYS 209.A N HIS 207.A ND1 no hydrogen 2.921 N/A ALA 210.A N HIS 207.A O no hydrogen 2.602 N/A PHE 212.A N CYS 209.A O no hydrogen 2.937 N/A ARG 213.A N ALA 210.A O no hydrogen 3.256 N/A ARG 213.A NE ASP 198.A OD1 no hydrogen 2.672 N/A TYR 214.A N SER 211.A O no hydrogen 3.052 N/A TYR 214.A OH LYS 154.A O no hydrogen 3.193 N/A THR 216.A N ARG 213.A O no hydrogen 2.855 N/A THR 216.A N TYR 214.A O no hydrogen 2.547 N/A SER 219.A OG THR 216.A O no hydrogen 2.934 N/A ARG 220.A N ILE 217.A O no hydrogen 2.984 N/A ARG 220.A NE TYR 276.A OH no hydrogen 3.304 N/A PHE 221.A N PRO 275.A O no hydrogen 2.709 N/A LYS 222.A N SER 219.A O no hydrogen 3.191 N/A LYS 222.A NZ TYR 141.A OH no hydrogen 2.870 N/A LYS 222.A NZ ASP 279.A OD1 no hydrogen 2.815 N/A CYS 224.A N PHE 221.A O no hydrogen 2.879 N/A CYS 224.A SG LYS 222.A O no hydrogen 3.661 N/A ALA 226.A N TYR 288.A O no hydrogen 3.024 N/A THR 229.A N ALA 225.A O no hydrogen 2.805 N/A PHE 230.A N ALA 226.A O no hydrogen 2.942 N/A GLY 231.A N LEU 227.A O no hydrogen 3.111 N/A HIS 232.A N ALA 228.A O no hydrogen 2.919 N/A LEU 233.A N THR 229.A O no hydrogen 2.917 N/A CYS 234.A N PHE 230.A O no hydrogen 3.196 N/A CYS 234.A SG PHE 230.A O no hydrogen 3.369 N/A LYS 235.A N GLY 231.A O no hydrogen 3.123 N/A ILE 236.A N LEU 233.A O no hydrogen 3.335 N/A THR 237.A N LEU 233.A O no hydrogen 3.153 N/A THR 237.A N CYS 234.A O no hydrogen 3.355 N/A THR 237.A OG1 LEU 233.A O no hydrogen 3.272 N/A THR 237.A OG1 CYS 234.A O no hydrogen 3.430 N/A GLY 238.A N CYS 234.A O no hydrogen 2.932 N/A MET 239.A N THR 237.A OG1 no hydrogen 2.920 N/A THR 241.A OG1 GLU 242.A OE2 no hydrogen 3.543 N/A ASP 243.A N SER 240.A OG no hydrogen 3.121 N/A VAL 244.A N SER 240.A O no hydrogen 2.994 N/A THR 245.A N THR 241.A O no hydrogen 3.218 N/A THR 245.A OG1 THR 241.A O no hydrogen 2.932 N/A THR 246.A N GLU 242.A O no hydrogen 3.336 N/A THR 246.A N ASP 243.A O no hydrogen 2.930 N/A THR 246.A OG1 ASP 243.A O no hydrogen 2.822 N/A TRP 247.A N VAL 244.A O no hydrogen 2.999 N/A ILE 248.A N THR 245.A O no hydrogen 3.036 N/A ASN 250.A ND2 SER 325.A O no hydrogen 3.426 N/A ASN 250.A ND2 SER 325.A OG no hydrogen 3.014 N/A VAL 253.A N ASN 250.A O no hydrogen 3.090 N/A ALA 254.A N ASN 250.A O no hydrogen 3.223 N/A ASP 255.A N ARG 251.A O no hydrogen 2.734 N/A GLU 256.A N GLU 252.A O no hydrogen 3.165 N/A MET 257.A N VAL 253.A O no hydrogen 2.724 N/A VAL 258.A N ALA 254.A O no hydrogen 2.762 N/A GLN 259.A N ASP 255.A O no hydrogen 2.974 N/A GLN 259.A NE2 LYS 292.A O no hydrogen 3.179 N/A MET 260.A N GLU 256.A O no hydrogen 3.073 N/A MET 260.A N MET 257.A O no hydrogen 2.767 N/A MET 261.A N MET 257.A O no hydrogen 3.075 N/A MET 261.A N VAL 258.A O no hydrogen 3.238 N/A LYS 269.A N GLU 266.A O no hydrogen 3.118 N/A LYS 269.A NZ SER 88.A O no hydrogen 3.055 N/A LYS 269.A NZ ASP 271.A O no hydrogen 3.550 N/A SER 272.A OG SER 89.A OG no hydrogen 3.340 N/A TYR 273.A N SER 89.A OG no hydrogen 3.303 N/A MET 274.A N SER 272.A OG no hydrogen 2.696 N/A TYR 276.A N TYR 273.A O no hydrogen 2.810 N/A TYR 276.A OH ASP 198.A OD2 no hydrogen 2.446 N/A LEU 277.A N MET 274.A O no hydrogen 3.130 N/A PHE 280.A N TYR 276.A O no hydrogen 3.108 N/A GLY 281.A N ILE 278.A O no hydrogen 2.783 N/A SER 283.A N LEU 277.A O no hydrogen 3.078 N/A SER 283.A OG GLU 25.A O no hydrogen 2.578 N/A SER 284.A N GLU 25.A OE1 no hydrogen 3.384 N/A SER 284.A OG GLU 25.A OE1 no hydrogen 2.636 N/A SER 284.A OG GLU 25.A OE2 no hydrogen 3.384 N/A LYS 285.A NZ ASP 22.A OD2 no hydrogen 2.710 N/A SER 286.A OG ASP 223.A O no hydrogen 2.771 N/A TYR 288.A N SER 286.A OG no hydrogen 3.117 N/A LYS 292.A N SER 289.A OG no hydrogen 2.837 N/A ASN 293.A N SER 290.A O no hydrogen 3.375 N/A ASN 293.A ND2 PRO 287.A O no hydrogen 2.848 N/A ASN 293.A ND2 SER 289.A O no hydrogen 2.791 N/A PHE 296.A N GLU 256.A OE2 no hydrogen 2.885 N/A HIS 297.A N ASN 293.A O no hydrogen 2.757 N/A PHE 298.A N PRO 294.A O no hydrogen 2.730 N/A TRP 299.A N ALA 295.A O no hydrogen 2.976 N/A GLY 300.A N PHE 296.A O no hydrogen 2.764 N/A GLN 301.A N HIS 297.A O no hydrogen 3.078 N/A LEU 302.A N PHE 298.A O no hydrogen 2.793 N/A THR 303.A N TRP 299.A O no hydrogen 2.922 N/A THR 303.A OG1 TRP 299.A O no hydrogen 3.206 N/A THR 303.A OG1 GLY 330.A O no hydrogen 3.474 N/A ALA 304.A N GLY 300.A O no hydrogen 3.032 N/A LEU 305.A N GLN 301.A O no hydrogen 2.884 N/A LEU 305.A N LEU 302.A O no hydrogen 2.930 N/A LEU 306.A N LEU 302.A O no hydrogen 3.086 N/A LEU 307.A N THR 303.A O no hydrogen 3.113 N/A LEU 307.A N ALA 304.A O no hydrogen 3.057 N/A ARG 308.A N LEU 305.A O no hydrogen 2.983 N/A SER 309.A N ALA 304.A O no hydrogen 2.963 N/A ALA 312.A N SER 309.A OG no hydrogen 3.224 N/A ARG 313.A N THR 310.A O no hydrogen 3.174 N/A ASN 314.A N ARG 311.A O no hydrogen 3.511 N/A GLN 317.A N LYS 409.A O no hydrogen 2.888 N/A TYR 323.A OH PRO 318.A O no hydrogen 2.680 N/A LEU 326.A N GLU 322.A O no hydrogen 2.988 N/A THR 327.A N TYR 323.A O no hydrogen 2.851 N/A THR 328.A N THR 324.A O no hydrogen 3.004 N/A THR 328.A OG1 THR 324.A O no hydrogen 3.402 N/A ALA 329.A N SER 325.A O no hydrogen 3.104 N/A GLY 330.A N LEU 326.A O no hydrogen 3.084 N/A LEU 331.A N THR 327.A O no hydrogen 2.808 N/A LEU 332.A N THR 328.A O no hydrogen 3.116 N/A TYR 333.A N ALA 329.A O no hydrogen 3.213 N/A ALA 334.A N GLY 330.A O no hydrogen 2.846 N/A TYR 335.A N LEU 331.A O no hydrogen 2.654 N/A TYR 335.A OH ASP 391.A OD1 no hydrogen 2.690 N/A ALA 336.A N LEU 332.A O no hydrogen 2.820 N/A VAL 337.A N TYR 333.A O no hydrogen 3.085 N/A SER 339.A N TYR 335.A O no hydrogen 3.052 N/A SER 339.A N ALA 336.A O no hydrogen 3.369 N/A SER 339.A OG TYR 335.A O no hydrogen 2.971 N/A SER 339.A OG ALA 336.A O no hydrogen 3.502 N/A SER 340.A N ALA 336.A O no hydrogen 3.166 N/A SER 340.A OG ALA 336.A O no hydrogen 3.471 N/A SER 340.A OG GLN 370.A O no hydrogen 2.950 N/A SER 340.A OG GLY 371.A O no hydrogen 3.369 N/A GLN 345.A NE2 PHE 347.A O no hydrogen 2.749 N/A CYS 348.A SG ASN 352.A OD1 no hydrogen 3.975 N/A LYS 353.A N GLN 345.A OE1 no hydrogen 2.913 N/A SER 359.A OG ASP 357.A OD2 no hydrogen 3.171 N/A THR 360.A N ASP 358.A O no hydrogen 2.576 N/A THR 360.A OG1 SER 359.A O no hydrogen 2.786 N/A ARG 372.A NE SER 340.A O no hydrogen 3.216 N/A ARG 372.A NH1 THR 237.A O no hydrogen 2.689 N/A ARG 372.A NH2 VAL 337.A O no hydrogen 3.441 N/A ARG 372.A NH2 SER 340.A O no hydrogen 3.217 N/A VAL 375.A N ASP 373.A OD1 no hydrogen 2.873 N/A GLU 376.A N ASP 373.A OD1 no hydrogen 3.322 N/A TRP 377.A N ASP 373.A O no hydrogen 2.996 N/A TRP 377.A NE1 GLY 371.A O no hydrogen 2.890 N/A LEU 378.A N VAL 374.A O no hydrogen 2.774 N/A GLY 379.A N VAL 375.A O no hydrogen 3.143 N/A TRP 380.A N GLU 376.A O no hydrogen 2.856 N/A PHE 381.A N TRP 377.A O no hydrogen 2.666 N/A GLU 382.A N LEU 378.A O no hydrogen 2.843 N/A ASP 383.A N GLY 379.A O no hydrogen 3.019 N/A GLN 384.A N TRP 380.A O no hydrogen 3.081 N/A GLN 384.A N PHE 381.A O no hydrogen 2.756 N/A ASN 385.A N GLU 382.A O no hydrogen 2.649 N/A ARG 386.A N PHE 381.A O no hydrogen 3.046 N/A MET 393.A N THR 389.A O no hydrogen 3.106 N/A GLN 394.A N PRO 390.A O no hydrogen 2.757 N/A TYR 395.A N ASP 391.A O no hydrogen 2.647 N/A ALA 396.A N MET 392.A O no hydrogen 2.875 N/A LYS 397.A N MET 393.A O no hydrogen 3.072 N/A ARG 398.A N GLN 394.A O no hydrogen 3.061 N/A ALA 399.A N ALA 396.A O no hydrogen 2.959 N/A VAL 400.A N ALA 396.A O no hydrogen 3.066 N/A VAL 400.A N LYS 397.A O no hydrogen 3.010 N/A MET 401.A N LYS 397.A O no hydrogen 2.855 N/A SER 402.A OG MET 401.A O no hydrogen 2.417 N/A LEU 403.A N VAL 400.A O no hydrogen 3.088 N/A LYS 409.A NZ ASP 319.A OD1 no hydrogen 3.084 N/A LYS 409.A NZ ASP 319.A OD2 no hydrogen 3.085 N/A THR 410.A OG1 ARG 313.A O no hydrogen 3.409 N/A THR 410.A OG1 ARG 407.A O no hydrogen 2.791 N/A ILE 411.A N ALA 315.A O no hydrogen 2.960 N/A LYS 413.A N THR 410.A OG1 no hydrogen 3.121 N/A TYR 414.A N THR 410.A O no hydrogen 3.049 N/A ALA 415.A N ILE 411.A O no hydrogen 2.975 N/A LYS 416.A N GLY 412.A O no hydrogen 2.997 N/A LYS 416.A NZ LEU 403.A O no hydrogen 2.969 N/A SER 417.A N LYS 413.A O no hydrogen 3.215 N/A SER 417.A OG LYS 413.A O no hydrogen 2.796 N/A GLU 418.A N TYR 414.A O no hydrogen 3.046 N/A PHE 419.A N ALA 415.A O no hydrogen 3.169 N/A ASP 420.A N LYS 416.A O no hydrogen 3.102 N/A LYS 421.A NZ SER 417.A O no hydrogen 2.491 N/A