Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4we1_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 7.A N ASP 109.A OD2 no hydrogen 3.108 N/A LYS 10.A N ARG 78.A O no hydrogen 3.433 N/A LYS 10.A NZ LYS 77.A O no hydrogen 2.628 N/A VAL 18.A N ASN 54.A O no hydrogen 3.308 N/A GLN 20.A NE2 TRP 21.A O no hydrogen 3.193 N/A GLN 20.A NE2 VAL 57.A O no hydrogen 2.871 N/A LYS 27.A NZ GLU 378.A OE2 no hydrogen 3.052 N/A ILE 28.A N THR 24.A O no hydrogen 3.073 N/A LYS 29.A N GLU 25.A O no hydrogen 2.906 N/A ALA 30.A N GLU 26.A O no hydrogen 2.922 N/A LEU 31.A N LYS 27.A O no hydrogen 2.913 N/A VAL 32.A N ILE 28.A O no hydrogen 2.889 N/A GLU 33.A N LYS 29.A O no hydrogen 2.947 N/A ILE 34.A N ALA 30.A O no hydrogen 2.925 N/A CYS 35.A N LEU 31.A O no hydrogen 2.896 N/A CYS 35.A SG LEU 31.A O no hydrogen 3.323 N/A THR 36.A N VAL 32.A O no hydrogen 2.906 N/A THR 36.A OG1 VAL 32.A O no hydrogen 2.835 N/A GLU 37.A N GLU 33.A O no hydrogen 2.959 N/A MET 38.A N ILE 34.A O no hydrogen 2.897 N/A GLU 39.A N CYS 35.A O no hydrogen 2.894 N/A LYS 40.A N THR 36.A O no hydrogen 2.938 N/A GLU 41.A N GLU 37.A O no hydrogen 3.038 N/A GLU 41.A N MET 38.A O no hydrogen 3.184 N/A GLY 42.A N GLU 39.A O no hydrogen 3.150 N/A LYS 43.A N MET 38.A O no hydrogen 3.000 N/A LYS 43.A NZ GLU 41.A OE1 no hydrogen 3.166 N/A SER 45.A N GLN 133.A O no hydrogen 2.926 N/A ILE 47.A N ARG 131.A O no hydrogen 3.157 N/A GLU 50.A N GLU 50.A OE1 no hydrogen 2.625 N/A ASN 51.A N GLY 48.A O no hydrogen 3.336 N/A ASN 51.A ND2 LYS 114.A O no hydrogen 2.935 N/A ASN 51.A ND2 GLN 133.A OE1 no hydrogen 3.627 N/A TYR 53.A N ASN 51.A OD1 no hydrogen 2.851 N/A TYR 53.A OH ASP 14.A OD1 no hydrogen 2.729 N/A ASN 54.A N PRO 16.A O no hydrogen 3.044 N/A ASN 54.A ND2 VAL 18.A O no hydrogen 2.623 N/A VAL 57.A N GLN 20.A OE1 no hydrogen 2.904 N/A PHE 58.A N LEU 69.A O no hydrogen 2.859 N/A ILE 60.A N ARG 67.A O no hydrogen 2.936 N/A ARG 67.A N ILE 60.A O no hydrogen 2.838 N/A LEU 69.A N PHE 58.A O no hydrogen 2.893 N/A ASP 71.A N PRO 56.A O no hydrogen 2.897 N/A ARG 73.A N ASP 71.A OD1 no hydrogen 3.313 N/A ARG 73.A NE ASP 71.A OD1 no hydrogen 2.792 N/A ARG 73.A NE ASP 71.A OD2 no hydrogen 3.254 N/A ARG 73.A NH1 PRO 386.A O no hydrogen 2.836 N/A ARG 73.A NH2 ASP 71.A OD2 no hydrogen 2.875 N/A ASN 76.A N PHE 72.A O no hydrogen 2.659 N/A ASN 76.A ND2 GLY 140.A O no hydrogen 3.122 N/A LYS 77.A N ARG 73.A O no hydrogen 2.924 N/A LYS 77.A NZ GLU 387.A OE1 no hydrogen 3.543 N/A ARG 78.A N GLU 74.A O no hydrogen 2.919 N/A ARG 78.A NE ASP 14.A O no hydrogen 2.613 N/A ARG 78.A NH1 GLU 74.A OE2 no hydrogen 2.800 N/A ARG 78.A NH2 ASP 14.A O no hydrogen 3.410 N/A THR 79.A OG1 LEU 75.A O no hydrogen 2.762 N/A GLN 80.A NE2 ASN 76.A O no hydrogen 3.135 N/A HIS 84.A NE2 ILE 356.A O no hydrogen 2.828 N/A LYS 89.A NZ ALA 86.A O no hydrogen 2.875 N/A LYS 90.A N GLY 87.A O no hydrogen 3.010 N/A LYS 91.A N LEU 88.A O no hydrogen 3.316 N/A LYS 91.A NZ ASP 165.A O no hydrogen 2.852 N/A LYS 91.A NZ ASP 180.A OD2 no hydrogen 3.113 N/A LYS 92.A N ASP 180.A OD1 no hydrogen 3.286 N/A SER 93.A N SER 179.A O no hydrogen 2.942 N/A VAL 94.A N LEU 208.A O no hydrogen 3.068 N/A THR 95.A N VAL 177.A O no hydrogen 2.936 N/A THR 95.A OG1 HIS 186.A NE2 no hydrogen 2.626 N/A VAL 96.A N TYR 206.A O no hydrogen 2.957 N/A LEU 97.A N LEU 175.A O no hydrogen 2.883 N/A VAL 99.A N ASP 173.A O no hydrogen 2.808 N/A GLY 100.A N ASP 98.A OD1 no hydrogen 2.881 N/A ALA 102.A N VAL 99.A O no hydrogen 3.074 N/A TYR 103.A N GLY 100.A O no hydrogen 2.923 N/A TYR 103.A OH MET 172.A O no hydrogen 2.538 N/A PHE 104.A N ASP 101.A O no hydrogen 2.912 N/A SER 105.A N ALA 102.A O no hydrogen 2.918 N/A SER 105.A OG ALA 102.A O no hydrogen 3.428 N/A VAL 106.A N TYR 103.A O no hydrogen 3.413 N/A LEU 108.A N ASN 135.A O no hydrogen 3.035 N/A PHE 112.A N ASP 109.A O no hydrogen 3.066 N/A ARG 113.A N GLU 110.A O no hydrogen 2.929 N/A ARG 113.A NE LEU 108.A O no hydrogen 2.914 N/A ARG 113.A NH2 LEU 108.A O no hydrogen 3.094 N/A TYR 115.A N PHE 112.A O no hydrogen 2.918 N/A THR 116.A N ARG 113.A O no hydrogen 2.914 N/A THR 116.A OG1 ARG 113.A O no hydrogen 2.357 N/A ALA 117.A N LYS 114.A O no hydrogen 3.429 N/A PHE 118.A N TYR 132.A O no hydrogen 2.897 N/A THR 119.A OG1 ASN 54.A OD1 no hydrogen 2.453 N/A ILE 120.A N ILE 130.A O no hydrogen 2.880 N/A SER 122.A OG THR 127.A O no hydrogen 2.328 N/A GLU 126.A N ILE 123.A O no hydrogen 3.071 N/A THR 127.A N SER 122.A OG no hydrogen 3.378 N/A THR 127.A OG1 PRO 128.A O no hydrogen 2.931 N/A ILE 130.A N ILE 120.A O no hydrogen 2.922 N/A ARG 131.A NH1 TYR 53.A O no hydrogen 3.100 N/A ARG 131.A NH1 THR 119.A OG1 no hydrogen 3.068 N/A ARG 131.A NH2 TYR 53.A O no hydrogen 2.573 N/A TYR 132.A N PHE 118.A O no hydrogen 2.950 N/A GLN 133.A N SER 45.A O no hydrogen 2.889 N/A TYR 134.A N THR 116.A OG1 no hydrogen 2.918 N/A ASN 135.A N LYS 43.A O no hydrogen 2.720 N/A ASN 135.A ND2 GLY 42.A O no hydrogen 2.917 N/A ASN 135.A ND2 SER 45.A OG no hydrogen 2.403 N/A LEU 137.A N VAL 106.A O no hydrogen 2.974 N/A GLY 140.A N ASP 173.A OD1 no hydrogen 3.347 N/A TRP 141.A NE1 THR 79.A OG1 no hydrogen 3.054 N/A LYS 142.A N ASN 76.A OD1 no hydrogen 2.873 N/A SER 144.A N TRP 141.A O no hydrogen 3.122 N/A SER 144.A OG PRO 138.A O no hydrogen 2.605 N/A SER 144.A OG TRP 141.A O no hydrogen 3.474 N/A ILE 147.A N GLY 143.A O no hydrogen 2.903 N/A PHE 148.A N SER 144.A O no hydrogen 2.971 N/A GLN 149.A N ALA 146.A O no hydrogen 3.456 N/A GLN 149.A NE2 ALA 146.A O no hydrogen 3.601 N/A MET 152.A N PHE 148.A O no hydrogen 2.927 N/A THR 153.A N GLN 149.A O no hydrogen 2.901 N/A THR 153.A OG1 GLN 149.A O no hydrogen 3.001 N/A LYS 154.A N SER 150.A O no hydrogen 2.911 N/A ILE 155.A N SER 151.A O no hydrogen 2.909 N/A LEU 156.A N MET 152.A O no hydrogen 2.906 N/A GLU 157.A N THR 153.A O no hydrogen 2.906 N/A LYS 160.A N LEU 156.A O no hydrogen 3.024 N/A LYS 161.A N GLU 157.A O no hydrogen 2.918 N/A GLN 162.A N PRO 158.A O no hydrogen 2.908 N/A ASN 163.A N PHE 159.A O no hydrogen 2.795 N/A ASN 163.A ND2 PHE 159.A O no hydrogen 3.051 N/A ILE 166.A N ASN 163.A O no hydrogen 3.362 N/A VAL 167.A N GLY 178.A O no hydrogen 2.966 N/A TYR 169.A N TYR 176.A O no hydrogen 2.911 N/A GLN 170.A NE2 MET 172.A O no hydrogen 3.564 N/A TYR 171.A N ASP 174.A O no hydrogen 2.916 N/A ASP 174.A N TYR 171.A O no hydrogen 2.899 N/A LEU 175.A N LEU 97.A O no hydrogen 2.874 N/A TYR 176.A N TYR 169.A O no hydrogen 2.823 N/A VAL 177.A N THR 95.A O no hydrogen 2.888 N/A GLY 178.A N VAL 167.A O no hydrogen 2.880 N/A SER 179.A N SER 93.A O no hydrogen 2.895 N/A SER 179.A OG HIS 186.A ND1 no hydrogen 2.504 N/A HIS 186.A N GLU 182.A O no hydrogen 2.710 N/A HIS 186.A ND1 SER 179.A OG no hydrogen 2.504 N/A HIS 186.A NE2 THR 95.A OG1 no hydrogen 2.626 N/A ARG 187.A N ILE 183.A O no hydrogen 2.903 N/A ARG 187.A NE GLU 207.A OE1.B no hydrogen 3.488 N/A ARG 187.A NE GLU 207.A OE2.B no hydrogen 2.557 N/A ARG 187.A NH2 GLU 207.A OE1.B no hydrogen 3.151 N/A THR 188.A N GLY 184.A O no hydrogen 2.912 N/A THR 188.A OG1 GLY 184.A O no hydrogen 3.013 N/A LYS 189.A N GLN 185.A O no hydrogen 2.907 N/A ILE 190.A N HIS 186.A O no hydrogen 2.888 N/A GLU 191.A N ARG 187.A O no hydrogen 2.907 N/A GLU 192.A N THR 188.A O no hydrogen 2.904 N/A LEU 193.A N LYS 189.A O no hydrogen 2.916 N/A ARG 194.A N ILE 190.A O no hydrogen 2.901 N/A ARG 194.A NH1 THR 204.A O no hydrogen 2.428 N/A GLN 195.A N GLU 191.A O no hydrogen 2.911 N/A HIS 196.A N GLU 192.A O no hydrogen 2.909 N/A HIS 196.A NE2 ILE 155.A O no hydrogen 2.529 N/A LEU 197.A N LEU 193.A O no hydrogen 2.896 N/A LEU 198.A N ARG 194.A O no hydrogen 2.900 N/A ARG 199.A N GLN 195.A O no hydrogen 2.914 N/A GLY 201.A N LEU 198.A O no hydrogen 2.866 N/A LEU 202.A N LEU 197.A O no hydrogen 2.822 N/A LEU 208.A N VAL 94.A O no hydrogen 2.587 N/A HIS 209.A ND1 LYS 92.A O no hydrogen 3.264 N/A LYS 212.A N HIS 209.A O no hydrogen 3.009 N/A TRP 213.A N PRO 210.A O no hydrogen 3.079 N/A THR 214.A OG1 VAL 215.A O no hydrogen 3.399 N/A GLN 216.A N THR 325.A OG1 no hydrogen 2.719 N/A THR 227.A N ASP 230.A OD2 no hydrogen 3.176 N/A ASN 229.A N LEU 263.A O no hydrogen 3.143 N/A ASP 230.A N THR 227.A OG1 no hydrogen 3.172 N/A ILE 231.A N THR 227.A O no hydrogen 3.192 N/A GLN 232.A N VAL 228.A O no hydrogen 2.898 N/A LYS 233.A N ASN 229.A O no hydrogen 2.920 N/A LEU 234.A N ASP 230.A O no hydrogen 2.902 N/A VAL 235.A N ILE 231.A O no hydrogen 2.889 N/A GLY 236.A N GLN 232.A O no hydrogen 2.908 N/A LYS 237.A N LYS 233.A O no hydrogen 2.911 N/A LYS 237.A NZ VAL 219.A O no hydrogen 2.478 N/A LEU 238.A N LEU 234.A O no hydrogen 2.910 N/A ASN 239.A N VAL 235.A O no hydrogen 2.881 N/A TRP 240.A N GLY 236.A O no hydrogen 2.928 N/A ALA 241.A N LYS 237.A O no hydrogen 2.912 N/A SER 242.A N ASN 239.A O no hydrogen 3.271 N/A SER 242.A OG ASN 239.A O no hydrogen 2.430 N/A TYR 245.A N ALA 241.A O no hydrogen 2.765 N/A LYS 249.A N ASN 280.A OD1 no hydrogen 3.316 N/A GLN 252.A N GLU 276.A OE1 no hydrogen 2.978 N/A LEU 253.A N GLU 276.A OE2 no hydrogen 3.128 N/A SER 254.A N VAL 250.A O no hydrogen 2.844 N/A SER 254.A OG VAL 250.A O no hydrogen 2.721 N/A SER 254.A OG ARG 251.A O no hydrogen 2.871 N/A LYS 255.A N ARG 251.A O no hydrogen 2.912 N/A LEU 257.A N SER 254.A O no hydrogen 3.177 N/A LYS 261.A NZ LEU 256.A O no hydrogen 3.404 N/A GLU 265.A N ALA 262.A O no hydrogen 3.222 N/A ILE 267.A N TRP 226.A O no hydrogen 2.591 N/A THR 270.A OG1 GLU 272.A OE2 no hydrogen 2.968 N/A GLU 272.A N GLU 272.A OE2 no hydrogen 2.925 N/A GLU 274.A N THR 270.A O no hydrogen 2.815 N/A LEU 275.A N GLU 271.A O no hydrogen 2.902 N/A GLU 276.A N GLU 272.A O no hydrogen 2.911 N/A LEU 277.A N ALA 273.A O no hydrogen 2.899 N/A ALA 278.A N GLU 274.A O no hydrogen 2.900 N/A GLU 279.A N LEU 275.A O no hydrogen 2.906 N/A ASN 280.A N GLU 276.A O no hydrogen 2.906 N/A ASN 280.A ND2 LYS 249.A O no hydrogen 3.167 N/A ARG 281.A N LEU 277.A O no hydrogen 2.893 N/A ARG 281.A NH1 LEU 220.A O no hydrogen 2.791 N/A ARG 281.A NH2 PRO 221.A O no hydrogen 2.408 N/A GLU 282.A N ALA 278.A O no hydrogen 2.912 N/A ILE 283.A N GLU 279.A O no hydrogen 2.910 N/A LEU 284.A N ASN 280.A O no hydrogen 3.217 N/A LYS 285.A N GLU 282.A O no hydrogen 3.255 N/A LYS 285.A NZ GLU 282.A OE2 no hydrogen 3.120 N/A ASP 294.A N GLN 317.A OE1 no hydrogen 2.613 N/A SER 296.A N ASP 294.A OD1 no hydrogen 2.857 N/A SER 296.A OG ASP 294.A OD1 no hydrogen 2.380 N/A LYS 297.A N ASP 294.A O no hydrogen 3.212 N/A LYS 297.A NZ GLU 318.A OE1 no hydrogen 3.355 N/A ILE 300.A N TYR 316.A O no hydrogen 2.861 N/A ALA 301.A N LYS 362.A O no hydrogen 2.807 N/A GLU 302.A N GLN 314.A O no hydrogen 2.891 N/A GLN 304.A N THR 312.A O no hydrogen 2.900 N/A GLN 304.A NE2 GLN 314.A OE1 no hydrogen 3.248 N/A LYS 305.A NZ ASP 338.A OD2 no hydrogen 2.754 N/A GLN 306.A N GLN 310.A O no hydrogen 2.893 N/A GLN 306.A NE2 THR 312.A OG1 no hydrogen 2.917 N/A GLN 306.A NE2 LYS 398.A O no hydrogen 3.028 N/A GLN 310.A N GLY 307.A O no hydrogen 3.025 N/A TRP 311.A N TYR 328.A O no hydrogen 2.910 N/A TRP 311.A NE1 GLN 341.A OE1 no hydrogen 2.749 N/A THR 312.A N GLN 304.A O no hydrogen 2.953 N/A THR 312.A OG1 GLN 304.A O no hydrogen 3.536 N/A THR 312.A OG1 GLN 304.A OE1 no hydrogen 2.646 N/A TYR 313.A N GLY 326.A O no hydrogen 2.906 N/A TYR 313.A OH GLU 352.A OE1 no hydrogen 2.676 N/A GLN 314.A N GLU 302.A O no hydrogen 2.893 N/A GLN 314.A NE2 GLN 304.A OE1 no hydrogen 2.614 N/A ILE 315.A N LYS 324.A O no hydrogen 2.807 N/A TYR 316.A N ILE 300.A O no hydrogen 2.896 N/A TYR 316.A OH GLU 302.A OE2 no hydrogen 2.677 N/A GLN 317.A NE2 ASP 294.A O no hydrogen 2.458 N/A GLN 317.A NE2 LYS 297.A O no hydrogen 3.091 N/A LYS 321.A N GLU 318.A O no hydrogen 3.162 N/A ASN 322.A ND2 TYR 401.A OH no hydrogen 3.139 N/A LEU 323.A N ILE 315.A O no hydrogen 2.847 N/A LYS 324.A N ILE 315.A O no hydrogen 3.007 N/A LYS 324.A NZ THR 214.A O no hydrogen 3.373 N/A LYS 324.A NZ TYR 313.A OH no hydrogen 3.139 N/A LYS 324.A NZ THR 325.A O no hydrogen 3.545 N/A LYS 324.A NZ GLU 352.A OE1 no hydrogen 3.530 N/A GLY 326.A N TYR 313.A O no hydrogen 2.931 N/A TYR 328.A N TRP 311.A O no hydrogen 2.847 N/A THR 336.A OG1 ASN 337.A O no hydrogen 3.406 N/A ASN 337.A ND2 TYR 379.A OH no hydrogen 2.832 N/A LYS 340.A N ASN 337.A OD1 no hydrogen 3.118 N/A GLN 341.A N ASN 337.A O no hydrogen 3.271 N/A GLN 341.A NE2 THR 336.A OG1 no hydrogen 2.931 N/A LEU 342.A N ASP 338.A O no hydrogen 2.903 N/A THR 343.A N VAL 339.A O no hydrogen 2.901 N/A THR 343.A OG1 VAL 339.A O no hydrogen 2.785 N/A GLU 344.A N LYS 340.A O no hydrogen 2.917 N/A ALA 345.A N GLN 341.A O no hydrogen 2.899 N/A VAL 346.A N LEU 342.A O no hydrogen 2.887 N/A GLN 347.A N THR 343.A O no hydrogen 2.942 N/A GLN 347.A NE2 THR 343.A O no hydrogen 3.447 N/A GLN 347.A NE2 TYR 379.A O no hydrogen 3.414 N/A LYS 348.A N GLU 344.A O no hydrogen 2.907 N/A ILE 349.A N ALA 345.A O no hydrogen 2.895 N/A THR 350.A N VAL 346.A O no hydrogen 2.910 N/A THR 350.A OG1 VAL 346.A O no hydrogen 2.762 N/A THR 351.A N GLN 347.A O no hydrogen 2.903 N/A THR 351.A OG1 GLN 347.A O no hydrogen 3.006 N/A GLU 352.A N LYS 348.A O no hydrogen 2.916 N/A SER 353.A N ILE 349.A O no hydrogen 2.889 N/A SER 353.A OG LYS 359.A O no hydrogen 2.571 N/A ILE 354.A N THR 350.A O no hydrogen 2.895 N/A VAL 355.A N THR 351.A O no hydrogen 2.907 N/A ILE 356.A N GLU 352.A O no hydrogen 2.905 N/A TRP 357.A N SER 353.A O no hydrogen 2.894 N/A GLY 358.A N ILE 354.A O no hydrogen 2.740 N/A LYS 359.A NZ PRO 295.A O no hydrogen 3.034 N/A LYS 359.A NZ LYS 297.A O no hydrogen 3.526 N/A LYS 362.A N LEU 299.A O no hydrogen 2.604 N/A LYS 362.A NZ GLU 389.A OE1 no hydrogen 3.136 N/A PHE 363.A N GLU 387.A O no hydrogen 3.127 N/A LYS 364.A N ALA 301.A O no hydrogen 2.802 N/A LYS 364.A NZ GLU 389.A OE2 no hydrogen 2.437 N/A LEU 365.A N GLU 389.A O no hydrogen 2.886 N/A ILE 367.A N LEU 365.A O no hydrogen 2.898 N/A GLN 368.A NE2 GLU 370.A OE1 no hydrogen 3.211 N/A TRP 372.A N GLN 368.A O no hydrogen 3.140 N/A GLU 373.A N LYS 369.A O no hydrogen 2.900 N/A THR 374.A N GLU 370.A O no hydrogen 2.899 N/A THR 374.A OG1 GLU 370.A O no hydrogen 2.667 N/A TRP 375.A N THR 371.A O no hydrogen 2.934 N/A TRP 376.A N TRP 372.A O no hydrogen 2.898 N/A GLU 378.A N TRP 375.A O no hydrogen 3.226 N/A TRP 380.A NE1 TRP 384.A O no hydrogen 3.109 N/A GLN 381.A N GLN 347.A OE1 no hydrogen 2.861 N/A GLU 389.A N PHE 363.A O no hydrogen 2.890 N/A VAL 391.A N LEU 365.A O no hydrogen 3.103 N/A VAL 397.A N PRO 394.A O no hydrogen 3.330 N/A TYR 401.A N VAL 397.A O no hydrogen 3.441 N/A