Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xpu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N PHE 50.A O no hydrogen 3.042 N/A THR 4.A OG1 ASN 2.A OD1 no hydrogen 2.774 N/A THR 4.A OG1 ASP 52.A OD2 no hydrogen 2.561 N/A GLU 5.A N ASN 2.A OD1 no hydrogen 2.860 N/A LEU 6.A N ASN 2.A O no hydrogen 3.018 N/A LYS 7.A N LEU 3.A O no hydrogen 3.049 N/A THR 9.A N GLU 5.A O no hydrogen 3.223 N/A THR 9.A OG1 GLU 5.A O no hydrogen 2.985 N/A THR 9.A OG1 LEU 6.A O no hydrogen 2.596 N/A LEU 14.A N PRO 10.A O no hydrogen 3.152 N/A ILE 15.A N VAL 11.A O no hydrogen 3.062 N/A THR 16.A N SER 12.A O no hydrogen 3.408 N/A THR 16.A OG1 SER 12.A O no hydrogen 3.157 N/A THR 16.A OG1 GLU 13.A O no hydrogen 3.305 N/A GLY 18.A N LEU 14.A O no hydrogen 3.167 N/A GLU 19.A N ILE 15.A O no hydrogen 2.917 N/A MET 21.A N GLY 18.A O no hydrogen 2.880 N/A GLY 22.A N GLU 19.A O no hydrogen 3.121 N/A LEU 23.A N GLY 18.A O no hydrogen 3.245 N/A MET 29.A N LEU 26.A O no hydrogen 3.235 N/A LYS 31.A NZ LYS 7.A O no hydrogen 2.735 N/A GLN 32.A NE2 ASP 77.A OD1 no hydrogen 3.217 N/A ILE 34.A N ARG 30.A O no hydrogen 3.083 N/A ILE 35.A N LYS 31.A O no hydrogen 3.084 N/A PHE 36.A N GLN 32.A O no hydrogen 3.188 N/A ALA 37.A N ASP 33.A O no hydrogen 2.734 N/A ILE 38.A N ILE 34.A O no hydrogen 2.862 N/A ILE 38.A N ILE 35.A O no hydrogen 3.098 N/A LEU 39.A N ILE 35.A O no hydrogen 2.872 N/A LYS 40.A N PHE 36.A O no hydrogen 2.960 N/A HIS 42.A N ILE 38.A O no hydrogen 3.330 N/A SER 45.A N ALA 43.A O no hydrogen 2.614 N/A SER 45.A OG ALA 43.A O no hydrogen 3.388 N/A PHE 50.A N MET 1.A O no hydrogen 2.760 N/A GLY 51.A N GLY 99.A O no hydrogen 2.998 N/A GLY 53.A N ILE 97.A O no hydrogen 2.957 N/A VAL 54.A N ARG 66.A O no hydrogen 2.801 N/A LEU 55.A N ASP 95.A O no hydrogen 2.762 N/A GLU 56.A N PHE 64.A O no hydrogen 2.719 N/A ILE 57.A N THR 93.A OG1 no hydrogen 3.164 N/A LEU 58.A N PHE 62.A O no hydrogen 2.712 N/A GLY 63.A N VAL 81.A O no hydrogen 3.056 N/A PHE 64.A N GLU 56.A O no hydrogen 3.119 N/A LEU 65.A N ILE 79.A O no hydrogen 2.795 N/A ARG 66.A N VAL 54.A O no hydrogen 2.721 N/A ARG 66.A NE GLU 56.A OE1 no hydrogen 3.077 N/A ARG 66.A NH1 ASP 78.A OD2 no hydrogen 2.934 N/A ARG 66.A NH2 GLU 56.A OE2 no hydrogen 3.472 N/A SER 67.A OG SER 70.A OG no hydrogen 3.304 N/A SER 70.A N SER 67.A O no hydrogen 3.383 N/A SER 70.A OG SER 67.A OG no hydrogen 3.304 N/A SER 71.A N ALA 68.A O no hydrogen 3.003 N/A SER 71.A OG ALA 223.A O no hydrogen 2.914 N/A TYR 72.A N SER 67.A O no hydrogen 3.009 N/A TYR 72.A OH GLU 220.A OE1 no hydrogen 3.072 N/A LEU 73.A N SER 70.A O no hydrogen 3.294 N/A GLY 75.A N ASP 78.A OD2 no hydrogen 2.755 N/A TYR 80.A N PHE 111.A O no hydrogen 2.739 N/A VAL 81.A N GLY 63.A O no hydrogen 2.922 N/A SER 82.A N GLN 85.A OE1 no hydrogen 3.054 N/A SER 84.A N SER 82.A OG no hydrogen 3.159 N/A GLN 85.A NE2 LEU 113.A O no hydrogen 2.495 N/A ILE 86.A N SER 82.A O no hydrogen 3.037 N/A ARG 88.A N GLN 85.A O no hydrogen 3.157 N/A PHE 89.A N ILE 86.A O no hydrogen 3.310 N/A LEU 91.A N ILE 86.A O no hydrogen 3.126 N/A ARG 92.A N ASP 95.A OD2 no hydrogen 2.776 N/A GLY 94.A N LEU 55.A O no hydrogen 3.068 N/A ASP 95.A N ARG 92.A O no hydrogen 3.215 N/A THR 96.A N ASN 120.A OD1 no hydrogen 3.119 N/A ILE 97.A N GLY 53.A O no hydrogen 2.888 N/A SER 98.A N GLU 118.A O no hydrogen 3.269 N/A GLY 99.A N GLY 51.A O no hydrogen 3.016 N/A ILE 101.A N ILE 49.A O no hydrogen 2.708 N/A ARG 102.A N ALA 112.A O no hydrogen 3.137 N/A ARG 102.A NH1 PRO 103.A O no hydrogen 3.232 N/A ARG 102.A NH1 GLU 108.A OE1 no hydrogen 2.535 N/A ARG 102.A NH1 GLU 108.A OE2 no hydrogen 3.566 N/A ARG 102.A NH2 GLU 108.A OE2 no hydrogen 3.408 N/A LYS 105.A N GLU 108.A OE1 no hydrogen 2.632 N/A GLU 108.A N LYS 105.A O no hydrogen 3.239 N/A ARG 109.A NH1 TYR 110.A OH no hydrogen 2.911 N/A ALA 112.A N ARG 102.A O no hydrogen 3.225 N/A LEU 113.A N TYR 80.A O no hydrogen 2.904 N/A LYS 115.A N LYS 100.A O no hydrogen 2.771 N/A ASN 117.A N SER 98.A O no hydrogen 2.820 N/A GLU 118.A N SER 98.A O no hydrogen 3.280 N/A VAL 119.A N ASP 122.A O no hydrogen 2.881 N/A ASN 120.A N THR 96.A O no hydrogen 2.840 N/A ASN 120.A ND2 ASP 95.A OD1 no hydrogen 3.079 N/A ASP 122.A N VAL 119.A O no hydrogen 3.082 N/A ASN 126.A ND2 ASP 122.A OD1 no hydrogen 3.195 N/A ASN 127.A ND2 HIS 250.A NE2 no hydrogen 3.695 N/A LEU 130.A N GLU 249.A OE2 no hydrogen 3.035 N/A GLU 132.A N ILE 129.A O no hydrogen 2.796 N/A ASN 133.A N LEU 130.A O no hydrogen 3.476 N/A ARG 142.A NH1 GLU 367.A OE2 no hydrogen 2.837 N/A ARG 142.A NH2 ASP 157.A OD1 no hydrogen 3.126 N/A LEU 143.A N ILE 162.A O no hydrogen 3.192 N/A MET 145.A N ASP 157.A OD2 no hydrogen 2.636 N/A LEU 151.A N THR 148.A O no hydrogen 3.327 N/A ARG 154.A N LEU 151.A O no hydrogen 3.294 N/A VAL 155.A N LEU 151.A O no hydrogen 3.288 N/A LEU 156.A N THR 152.A O no hydrogen 2.736 N/A ASP 157.A N ALA 153.A O no hydrogen 3.042 N/A LEU 158.A N ARG 154.A O no hydrogen 3.244 N/A ALA 159.A N VAL 155.A O no hydrogen 2.904 N/A SER 160.A N LEU 156.A O no hydrogen 2.908 N/A ARG 164.A N SER 141.A O no hydrogen 3.201 N/A ARG 164.A NE SER 141.A OG no hydrogen 2.839 N/A GLN 166.A NE2 THR 356.A OG1 no hydrogen 2.895 N/A ARG 167.A NE THR 329.A O no hydrogen 2.971 N/A GLY 168.A N ILE 306.A O no hydrogen 2.943 N/A LEU 169.A N MET 332.A O no hydrogen 2.735 N/A ILE 170.A N ALA 308.A O no hydrogen 2.756 N/A VAL 171.A N LEU 334.A O no hydrogen 2.776 N/A ALA 172.A N ALA 310.A O no hydrogen 3.095 N/A THR 179.A OG1 GLU 209.A OE1 no hydrogen 3.226 N/A LEU 181.A N GLY 177.A O no hydrogen 2.550 N/A LEU 182.A N LYS 178.A O no hydrogen 3.353 N/A GLN 183.A N THR 179.A O no hydrogen 2.845 N/A ASN 184.A N MET 180.A O no hydrogen 2.794 N/A ASN 184.A ND2 GLU 149.A O no hydrogen 2.950 N/A ILE 185.A N LEU 181.A O no hydrogen 2.983 N/A ALA 186.A N LEU 182.A O no hydrogen 2.781 N/A GLN 187.A N GLN 183.A O no hydrogen 3.121 N/A SER 188.A N ASN 184.A O no hydrogen 2.939 N/A SER 188.A OG ASN 184.A O no hydrogen 2.999 N/A ILE 189.A N ILE 185.A O no hydrogen 2.734 N/A ALA 190.A N ALA 186.A O no hydrogen 3.497 N/A TYR 191.A N GLN 187.A O no hydrogen 3.298 N/A ASN 192.A N SER 188.A O no hydrogen 3.276 N/A HIS 193.A N ILE 189.A O no hydrogen 2.673 N/A CYS 196.A SG ASP 195.A OD1 no hydrogen 3.670 N/A VAL 197.A N ASP 253.A O no hydrogen 3.015 N/A MET 199.A N ILE 255.A O no hydrogen 2.820 N/A VAL 200.A N GLU 220.A O no hydrogen 3.052 N/A LEU 201.A N LEU 257.A O no hydrogen 2.877 N/A LEU 202.A N VAL 222.A O no hydrogen 3.032 N/A GLU 205.A N SER 224.A O no hydrogen 3.270 N/A ARG 206.A N GLU 205.A OE2 no hydrogen 2.915 N/A VAL 210.A N ARG 206.A O no hydrogen 2.910 N/A THR 211.A N PRO 207.A O no hydrogen 2.942 N/A THR 211.A OG1 PRO 207.A O no hydrogen 2.702 N/A THR 211.A OG1 GLU 208.A O no hydrogen 3.045 N/A GLU 212.A N GLU 208.A O no hydrogen 2.871 N/A MET 213.A N GLU 209.A O no hydrogen 3.069 N/A GLN 214.A N VAL 210.A O no hydrogen 2.713 N/A ARG 215.A N THR 211.A O no hydrogen 2.907 N/A LEU 216.A N GLU 212.A O no hydrogen 3.258 N/A VAL 217.A N MET 213.A O no hydrogen 3.206 N/A GLU 220.A N LEU 198.A O no hydrogen 3.175 N/A VAL 222.A N VAL 200.A O no hydrogen 2.959 N/A ALA 223.A N SER 71.A OG no hydrogen 2.821 N/A SER 224.A N LEU 202.A O no hydrogen 2.833 N/A SER 224.A OG HIS 233.A ND1 no hydrogen 2.757 N/A THR 225.A N GLU 228.A OE1 no hydrogen 3.149 N/A THR 225.A OG1 ASP 227.A OD1 no hydrogen 2.823 N/A THR 225.A OG1 ASP 227.A OD2 no hydrogen 3.547 N/A PHE 226.A N GLU 205.A O no hydrogen 2.913 N/A GLU 228.A N THR 225.A O no hydrogen 3.239 N/A ARG 232.A N PRO 229.A O no hydrogen 3.032 N/A ARG 232.A NE GLU 228.A OE1 no hydrogen 3.227 N/A ARG 232.A NE GLU 228.A OE2 no hydrogen 3.400 N/A ARG 232.A NH1 SER 71.A O no hydrogen 3.513 N/A ARG 232.A NH1 GLN 235.A OE1 no hydrogen 2.797 N/A ARG 232.A NH2 SER 70.A O no hydrogen 3.367 N/A ARG 232.A NH2 SER 71.A O no hydrogen 3.347 N/A HIS 233.A ND1 SER 224.A OG no hydrogen 2.757 N/A VAL 234.A N ALA 230.A O no hydrogen 3.359 N/A GLN 235.A N SER 231.A O no hydrogen 3.133 N/A VAL 236.A N ARG 232.A O no hydrogen 3.018 N/A ALA 237.A N HIS 233.A O no hydrogen 3.375 N/A GLU 238.A N VAL 234.A O no hydrogen 2.919 N/A MET 239.A N GLN 235.A O no hydrogen 3.000 N/A VAL 240.A N VAL 236.A O no hydrogen 3.250 N/A ILE 241.A N ALA 237.A O no hydrogen 2.966 N/A GLU 242.A N GLU 238.A O no hydrogen 3.328 N/A LYS 243.A N MET 239.A O no hydrogen 3.195 N/A ALA 244.A N VAL 240.A O no hydrogen 3.016 N/A LYS 245.A N ILE 241.A O no hydrogen 3.266 N/A LYS 245.A NZ GLU 242.A OE2 no hydrogen 3.201 N/A ARG 246.A N GLU 242.A O no hydrogen 3.071 N/A ARG 246.A NE THR 93.A O no hydrogen 3.199 N/A ARG 246.A NH1 GLU 249.A OE1 no hydrogen 3.348 N/A ARG 246.A NH2 GLU 242.A OE1 no hydrogen 2.615 N/A LEU 247.A N LYS 243.A O no hydrogen 3.275 N/A VAL 248.A N ALA 244.A O no hydrogen 2.921 N/A GLU 249.A N LYS 245.A O no hydrogen 3.227 N/A HIS 250.A N LEU 247.A O no hydrogen 3.245 N/A LYS 251.A N VAL 248.A O no hydrogen 2.852 N/A LYS 252.A N LEU 247.A O no hydrogen 3.248 N/A VAL 254.A N SER 303.A O no hydrogen 2.854 N/A ILE 255.A N VAL 197.A O no hydrogen 2.915 N/A ILE 256.A N THR 305.A O no hydrogen 2.767 N/A LEU 257.A N MET 199.A O no hydrogen 2.797 N/A LEU 258.A N ILE 307.A O no hydrogen 3.219 N/A ASP 259.A N LEU 201.A O no hydrogen 2.657 N/A SER 260.A OG ASP 259.A OD2 no hydrogen 2.684 N/A ILE 261.A N THR 309.A O no hydrogen 2.996 N/A THR 262.A OG1 LEU 311.A O no hydrogen 3.518 N/A LEU 264.A N SER 260.A O no hydrogen 2.928 N/A ALA 265.A N ILE 261.A O no hydrogen 3.124 N/A ARG 266.A N THR 262.A O no hydrogen 3.135 N/A ALA 267.A N ARG 263.A O no hydrogen 3.394 N/A TYR 268.A N LEU 264.A O no hydrogen 3.129 N/A ASN 269.A N ALA 265.A O no hydrogen 3.004 N/A THR 270.A N ALA 267.A O no hydrogen 2.954 N/A THR 270.A OG1 ARG 266.A O no hydrogen 3.358 N/A THR 270.A OG1 ALA 267.A O no hydrogen 2.816 N/A VAL 271.A N ALA 267.A O no hydrogen 3.094 N/A VAL 271.A N TYR 268.A O no hydrogen 3.036 N/A VAL 272.A N TYR 268.A O no hydrogen 2.674 N/A THR 277.A N VAL 280.A O no hydrogen 3.423 N/A THR 277.A OG1 VAL 280.A O no hydrogen 3.311 N/A ASP 281.A N ASN 269.A OD1 no hydrogen 3.093 N/A ASN 283.A N ASP 281.A OD1 no hydrogen 3.460 N/A ALA 284.A N ASP 281.A O no hydrogen 2.904 N/A ARG 287.A NH2 GLU 238.A OE2 no hydrogen 2.817 N/A LYS 289.A N LEU 285.A O no hydrogen 3.334 N/A LYS 289.A NZ GLU 325.A OE1 no hydrogen 3.346 N/A ARG 290.A N HIS 286.A O no hydrogen 2.801 N/A PHE 291.A N ARG 287.A O no hydrogen 3.185 N/A PHE 292.A N PRO 288.A O no hydrogen 3.186 N/A GLY 293.A N ARG 290.A O no hydrogen 3.301 N/A ALA 294.A N PHE 291.A O no hydrogen 3.334 N/A ARG 296.A N LEU 304.A O no hydrogen 2.812 N/A ARG 296.A NE ALA 294.A O no hydrogen 3.073 N/A ARG 296.A NH2 GLY 293.A O no hydrogen 2.908 N/A VAL 298.A N GLY 302.A O no hydrogen 3.242 N/A GLU 299.A N LEU 134.A O no hydrogen 3.137 N/A GLY 301.A N VAL 298.A O no hydrogen 3.330 N/A SER 303.A N LYS 252.A O no hydrogen 3.003 N/A LEU 304.A N ARG 296.A O no hydrogen 2.966 N/A THR 305.A N VAL 254.A O no hydrogen 2.828 N/A THR 305.A OG1 GLN 166.A O no hydrogen 3.452 N/A ILE 306.A N GLN 166.A O no hydrogen 2.928 N/A ILE 307.A N ILE 256.A O no hydrogen 2.976 N/A ALA 308.A N GLY 168.A O no hydrogen 2.769 N/A THR 309.A N LEU 258.A O no hydrogen 3.106 N/A ALA 310.A N ILE 170.A O no hydrogen 2.676 N/A LEU 311.A N THR 262.A OG1 no hydrogen 2.705 N/A ILE 312.A N ALA 172.A O no hydrogen 3.172 N/A THR 314.A OG1 ASP 319.A OD2 no hydrogen 2.618 N/A VAL 321.A N LYS 317.A O no hydrogen 3.174 N/A ILE 322.A N MET 318.A O no hydrogen 3.042 N/A TYR 323.A N ASP 319.A O no hydrogen 3.436 N/A GLU 324.A N GLU 320.A O no hydrogen 2.870 N/A GLU 325.A N VAL 321.A O no hydrogen 3.015 N/A PHE 326.A N ILE 322.A O no hydrogen 3.346 N/A LYS 327.A NZ TYR 323.A OH no hydrogen 2.983 N/A THR 329.A N PHE 326.A O no hydrogen 3.196 N/A THR 329.A OG1 PHE 326.A O no hydrogen 2.645 N/A GLU 333.A N GLY 355.A O no hydrogen 2.937 N/A LEU 334.A N LEU 169.A O no hydrogen 2.851 N/A HIS 335.A N SER 354.A OG no hydrogen 2.974 N/A LEU 336.A N VAL 171.A O no hydrogen 2.933 N/A SER 337.A N ALA 348.A O no hydrogen 2.850 N/A LYS 339.A N SER 337.A OG no hydrogen 3.256 N/A GLU 342.A N ARG 338.A O no hydrogen 3.335 N/A ILE 349.A N PRO 347.A O no hydrogen 2.444 N/A ASP 350.A N HIS 335.A O no hydrogen 2.970 N/A ASN 352.A ND2 MET 381.A O no hydrogen 3.432 N/A ARG 353.A N ASP 350.A O no hydrogen 3.244 N/A ARG 353.A N ASP 350.A OD1 no hydrogen 3.340 N/A SER 354.A N ASP 350.A O no hydrogen 3.224 N/A SER 354.A OG ASP 350.A O no hydrogen 3.192 N/A GLY 355.A N GLU 333.A O no hydrogen 2.928 N/A THR 356.A OG1 PRO 161.A O no hydrogen 3.439 N/A THR 356.A OG1 ASN 331.A O no hydrogen 3.441 N/A THR 356.A OG1 ARG 357.A O no hydrogen 3.480 N/A ARG 357.A N ASN 331.A O no hydrogen 3.051 N/A ARG 357.A NH1 GLY 330.A O no hydrogen 3.077 N/A GLU 360.A N GLU 360.A OE1 no hydrogen 2.760 N/A LEU 362.A N GLU 359.A O no hydrogen 3.026 N/A THR 363.A N GLU 360.A O no hydrogen 3.415 N/A THR 363.A OG1 LEU 362.A O no hydrogen 2.875 N/A THR 363.A OG1 GLU 367.A OE1 no hydrogen 2.967 N/A THR 363.A OG1 GLU 367.A OE2 no hydrogen 3.526 N/A GLU 366.A N GLU 366.A OE1 no hydrogen 2.882 N/A LEU 368.A N GLN 365.A O no hydrogen 3.068 N/A GLN 369.A N GLN 365.A O no hydrogen 2.772 N/A MET 371.A N LEU 368.A O no hydrogen 2.779 N/A TRP 372.A N LEU 368.A O no hydrogen 3.206 N/A TRP 372.A N GLN 369.A O no hydrogen 3.092 N/A ILE 373.A N GLN 369.A O no hydrogen 3.138 N/A ARG 375.A N MET 371.A O no hydrogen 2.833 N/A LYS 376.A N TRP 372.A O no hydrogen 2.993 N/A ILE 377.A N ILE 373.A O no hydrogen 3.207 N/A ILE 378.A N LEU 374.A O no hydrogen 3.083 N/A HIS 379.A N ARG 375.A O no hydrogen 2.636 N/A MET 381.A N ILE 378.A O no hydrogen 2.837 N/A ALA 386.A N GLY 382.A O no hydrogen 2.973 N/A GLU 388.A N ILE 384.A O no hydrogen 3.511 N/A LEU 390.A N ALA 386.A O no hydrogen 3.433 N/A ILE 391.A N MET 387.A O no hydrogen 2.927 N/A ASN 392.A N GLU 388.A O no hydrogen 3.322 N/A LYS 393.A N PHE 389.A O no hydrogen 3.006 N/A LYS 393.A NZ MET 406.A O no hydrogen 3.451 N/A LEU 394.A N LEU 390.A O no hydrogen 3.072 N/A ALA 395.A N ILE 391.A O no hydrogen 3.222 N/A THR 397.A N LEU 394.A O no hydrogen 3.033 N/A THR 397.A OG1 ASP 402.A OD1 no hydrogen 2.638 N/A ASP 402.A N THR 399.A O no hydrogen 3.390 N/A GLU 405.A N ASP 402.A O no hydrogen 3.417 N/A MET 406.A N ASP 402.A O no hydrogen 2.597 N/A