Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4li2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 2.A SG PRO 3.A O no hydrogen 3.356 N/A CYS 2.A SG CYS 6.A O no hydrogen 3.541 N/A ALA 7.A N ASP 15.A O no hydrogen 2.519 N/A ALA 14.A N SER 34.A O no hydrogen 2.951 N/A ASP 15.A N ALA 7.A O no hydrogen 3.279 N/A CYS 16.A N ASP 36.A O no hydrogen 2.892 N/A SER 17.A N ASP 15.A OD1 no hydrogen 2.959 N/A SER 17.A OG ASP 15.A OD1 no hydrogen 2.363 N/A SER 17.A OG ASP 36.A OD1 no hydrogen 2.615 N/A THR 23.A OG1 VAL 22.A O no hydrogen 2.649 N/A ASP 26.A N ASP 26.A OD1 no hydrogen 2.313 N/A SER 29.A OG PRO 1.A O no hydrogen 3.410 N/A THR 32.A N SER 29.A O no hydrogen 3.325 N/A THR 32.A OG1 GLY 12.A O no hydrogen 2.667 N/A SER 34.A OG GLU 58.A OE2 no hydrogen 3.240 N/A LEU 35.A N GLU 58.A O no hydrogen 2.977 N/A ASP 36.A N ALA 14.A O no hydrogen 2.757 N/A LEU 37.A N ARG 60.A O no hydrogen 2.882 N/A SER 38.A N ASP 36.A OD1 no hydrogen 3.292 N/A SER 38.A OG ASP 36.A OD1 no hydrogen 3.073 N/A SER 38.A OG ASP 36.A OD2 no hydrogen 3.108 N/A MET 39.A N ALA 62.A O no hydrogen 2.894 N/A LYS 51.A N GLY 48.A O no hydrogen 2.956 N/A LEU 59.A N VAL 82.A O no hydrogen 2.940 N/A ARG 60.A N LEU 35.A O no hydrogen 3.059 N/A LEU 61.A N THR 84.A O no hydrogen 2.697 N/A GLY 63.A N GLN 86.A O no hydrogen 3.218 N/A ASN 64.A ND2 LEU 37.A O no hydrogen 3.467 N/A ASN 64.A ND2 LEU 61.A O no hydrogen 3.011 N/A SER 67.A N THR 43.A O no hydrogen 3.442 N/A MET 72.A N HIS 70.A ND1 no hydrogen 3.000 N/A ALA 73.A N HIS 70.A O no hydrogen 3.106 N/A SER 75.A N MET 72.A O no hydrogen 2.763 N/A LEU 77.A N LEU 74.A O no hydrogen 3.167 N/A LYS 81.A N GLU 57.A O no hydrogen 2.397 N/A VAL 82.A N GLU 57.A O no hydrogen 3.338 N/A LEU 83.A N SER 106.A O no hydrogen 2.931 N/A THR 84.A N LEU 59.A O no hydrogen 2.974 N/A LEU 85.A N ARG 108.A O no hydrogen 2.777 N/A GLN 86.A N GLN 86.A OE1 no hydrogen 3.201 N/A ASN 87.A N ASP 110.A O no hydrogen 3.094 N/A ASN 88.A ND2 LEU 61.A O no hydrogen 3.610 N/A GLN 89.A NE2 HIS 113.A ND1 no hydrogen 2.915 N/A LEU 90.A N ASN 112.A OD1 no hydrogen 3.161 N/A THR 92.A OG1 VAL 93.A O no hydrogen 3.429 N/A THR 92.A OG1 THR 116.A O no hydrogen 3.079 N/A THR 92.A OG1 THR 116.A OG1 no hydrogen 3.264 N/A VAL 93.A N THR 116.A O no hydrogen 3.439 N/A SER 95.A N VAL 93.A O no hydrogen 2.727 N/A SER 95.A OG GLU 96.A OE2 no hydrogen 3.414 N/A SER 95.A OG ASP 120.A OD1 no hydrogen 3.475 N/A SER 95.A OG ASP 120.A OD2 no hydrogen 3.107 N/A SER 97.A OG HIS 70.A O no hydrogen 2.640 N/A LEU 98.A N PRO 94.A O no hydrogen 3.039 N/A LYS 99.A NZ SER 95.A O no hydrogen 3.256 N/A LYS 99.A NZ GLU 96.A OE2 no hydrogen 2.684 N/A LYS 99.A NZ ASP 120.A OD2 no hydrogen 2.670 N/A GLN 105.A N LYS 81.A O no hydrogen 2.330 N/A SER 106.A OG HIS 130.A ND1 no hydrogen 2.433 N/A LEU 107.A N HIS 130.A O no hydrogen 2.933 N/A ARG 108.A N LEU 83.A O no hydrogen 2.930 N/A LEU 109.A N TRP 132.A O no hydrogen 2.982 N/A ALA 111.A N ASP 134.A O no hydrogen 2.647 N/A ASN 112.A ND2 LEU 85.A O no hydrogen 3.130 N/A ASN 112.A ND2 LEU 109.A O no hydrogen 2.766 N/A ASN 112.A ND2 ASP 110.A O no hydrogen 3.672 N/A SER 121.A N PRO 118.A O no hydrogen 3.069 N/A SER 121.A OG PRO 118.A O no hydrogen 2.724 N/A LEU 128.A N LEU 125.A O no hydrogen 2.459 N/A ARG 129.A N GLN 105.A O no hydrogen 2.814 N/A ARG 129.A NE GLN 105.A OE1 no hydrogen 3.290 N/A ARG 129.A NH1 GLN 105.A OE1 no hydrogen 3.013 N/A ARG 129.A NH1 GLN 127.A OE1 no hydrogen 2.906 N/A HIS 130.A N GLN 105.A O no hydrogen 3.128 N/A HIS 130.A ND1 SER 106.A OG no hydrogen 2.433 N/A LEU 131.A N ALA 154.A O no hydrogen 2.825 N/A TRP 132.A N LEU 107.A O no hydrogen 2.895 N/A LEU 133.A N THR 156.A O no hydrogen 2.832 N/A SER 137.A N ILE 114.A O no hydrogen 2.637 N/A LEU 138.A N ASN 160.A OD1 no hydrogen 3.179 N/A VAL 141.A N GLU 140.A OE1 no hydrogen 2.512 N/A ARG 144.A NH1 GLU 119.A OE1 no hydrogen 2.326 N/A LEU 146.A N PRO 142.A O no hydrogen 3.100 N/A LEU 146.A N ILE 143.A O no hydrogen 2.771 N/A SER 147.A N ILE 143.A O no hydrogen 3.019 N/A SER 147.A N ARG 144.A O no hydrogen 3.019 N/A SER 151.A OG VAL 126.A O no hydrogen 2.100 N/A SER 151.A OG LEU 128.A O no hydrogen 2.625 N/A LEU 152.A N LEU 149.A O no hydrogen 3.359 N/A ALA 154.A N ARG 129.A O no hydrogen 2.790 N/A LEU 155.A N VAL 178.A O no hydrogen 2.914 N/A THR 156.A N LEU 131.A O no hydrogen 2.965 N/A LEU 157.A N HIS 180.A O no hydrogen 2.862 N/A LEU 159.A N HIS 182.A O no hydrogen 2.974 N/A ASN 160.A N ASN 183.A O no hydrogen 3.109 N/A ASN 160.A N ASN 184.A OD1 no hydrogen 2.976 N/A ASN 160.A ND2 LEU 133.A O no hydrogen 3.342 N/A ASN 160.A ND2 LEU 157.A O no hydrogen 2.911 N/A LYS 161.A N LEU 138.A O no hydrogen 2.787 N/A HIS 164.A ND1 THR 188.A O no hydrogen 2.812 N/A ILE 165.A N THR 188.A O no hydrogen 3.484 N/A TYR 168.A N HIS 192.A O no hydrogen 3.225 N/A SER 171.A OG TYR 168.A O no hydrogen 2.578 N/A LEU 173.A N PHE 170.A O no hydrogen 3.113 N/A VAL 177.A N GLN 153.A O no hydrogen 2.762 N/A VAL 178.A N GLN 153.A O no hydrogen 3.029 N/A LEU 179.A N ALA 202.A O no hydrogen 2.917 N/A HIS 180.A N LEU 155.A O no hydrogen 2.991 N/A LEU 181.A N ASP 204.A O no hydrogen 2.920 N/A HIS 182.A ND1 ASP 204.A OD2 no hydrogen 2.700 N/A ASN 183.A N ASN 206.A O no hydrogen 2.993 N/A ASN 184.A N ASN 208.A OD1 no hydrogen 2.632 N/A LYS 185.A N ILE 162.A O no hydrogen 3.206 N/A ARG 187.A N SER 163.A O no hydrogen 3.006 N/A THR 188.A OG1 HIS 164.A ND1 no hydrogen 3.232 N/A GLY 190.A N ILE 165.A O no hydrogen 2.891 N/A SER 193.A N GLY 190.A O no hydrogen 2.920 N/A SER 193.A OG GLY 190.A O no hydrogen 2.502 N/A HIS 195.A N HIS 192.A O no hydrogen 2.870 N/A LEU 197.A N PHE 194.A O no hydrogen 3.398 N/A GLU 201.A N VAL 177.A O no hydrogen 2.860 N/A ALA 202.A N VAL 177.A O no hydrogen 2.835 N/A LEU 203.A N GLU 225.A O no hydrogen 2.953 N/A ASP 204.A N LEU 179.A O no hydrogen 2.991 N/A LEU 205.A N GLY 227.A O no hydrogen 2.695 N/A ASN 206.A N ASP 204.A OD1 no hydrogen 2.985 N/A TYR 207.A N HIS 229.A O no hydrogen 2.419 N/A ASN 208.A ND2 LEU 181.A O no hydrogen 3.330 N/A ASN 208.A ND2 LEU 205.A O no hydrogen 2.963 N/A ASP 215.A N PHE 213.A O no hydrogen 2.878 N/A SER 216.A OG GLY 190.A O no hydrogen 2.774 N/A SER 216.A OG SER 193.A OG no hydrogen 3.125 N/A ILE 217.A N PRO 214.A O no hydrogen 3.212 N/A ARG 218.A N ASP 215.A O no hydrogen 2.879 N/A SER 219.A OG SER 216.A O no hydrogen 3.229 N/A LEU 220.A N ILE 217.A O no hydrogen 3.206 N/A LYS 224.A N GLU 201.A O no hydrogen 2.727 N/A GLU 225.A N GLU 201.A O no hydrogen 2.842 N/A LEU 226.A N THR 249.A O no hydrogen 2.895 N/A GLY 227.A N LEU 203.A O no hydrogen 2.987 N/A PHE 228.A N HIS 251.A O no hydrogen 3.146 N/A HIS 229.A ND1 SER 230.A OG no hydrogen 2.985 N/A SER 230.A N TYR 253.A O no hydrogen 3.417 N/A SER 230.A OG HIS 229.A ND1 no hydrogen 2.985 N/A SER 232.A N LEU 210.A O no hydrogen 2.841 N/A ILE 236.A N PHE 259.A O no hydrogen 3.275 N/A ASN 244.A N PHE 241.A O no hydrogen 2.369 N/A ASN 244.A ND2 ILE 217.A O no hydrogen 2.771 N/A ASN 244.A ND2 LEU 220.A O no hydrogen 2.829 N/A LEU 247.A N ASN 244.A O no hydrogen 3.328 N/A ARG 248.A N LYS 224.A O no hydrogen 2.924 N/A THR 249.A N LYS 224.A O no hydrogen 3.064 N/A ILE 250.A N PHE 273.A O no hydrogen 2.953 N/A HIS 251.A N LEU 226.A O no hydrogen 2.991 N/A LEU 252.A N ILE 275.A O no hydrogen 3.157 N/A ASP 254.A N ARG 277.A O no hydrogen 2.741 N/A ASN 255.A ND2 PHE 228.A O no hydrogen 3.067 N/A ASN 255.A ND2 LEU 252.A O no hydrogen 2.771 N/A LEU 257.A N ASN 255.A O no hydrogen 2.415 N/A SER 258.A N THR 234.A O no hydrogen 2.777 N/A GLY 261.A N ILE 236.A O no hydrogen 2.678 N/A SER 263.A OG ASP 238.A OD2 no hydrogen 3.181 N/A ALA 264.A N GLY 261.A O no hydrogen 2.820 N/A GLN 266.A NE2 ASN 262.A O no hydrogen 2.192 N/A GLN 266.A NE2 ASN 262.A OD1 no hydrogen 2.749 N/A ASN 267.A N THR 289.A O no hydrogen 3.013 N/A LEU 268.A N THR 291.A OG1 no hydrogen 3.284 N/A SER 269.A OG LEU 268.A O no hydrogen 2.839 N/A ASP 270.A N LEU 268.A O no hydrogen 2.668 N/A HIS 272.A N ARG 248.A O no hydrogen 2.947 N/A PHE 273.A N ARG 248.A O no hydrogen 3.173 N/A LEU 274.A N SER 296.A O no hydrogen 2.969 N/A ILE 275.A N ILE 250.A O no hydrogen 2.953 N/A ILE 276.A N THR 298.A O no hydrogen 2.853 N/A GLY 278.A N THR 300.A O no hydrogen 3.033 N/A ASN 287.A ND2 ASN 262.A OD1 no hydrogen 3.499 N/A THR 289.A N ASN 287.A OD1 no hydrogen 2.868 N/A THR 291.A N LEU 288.A O no hydrogen 2.530 N/A THR 291.A OG1 PHE 265.A O no hydrogen 2.489 N/A THR 291.A OG1 LEU 288.A O no hydrogen 3.275 N/A GLU 295.A N HIS 272.A O no hydrogen 2.887 N/A SER 296.A N HIS 272.A O no hydrogen 2.938 N/A SER 296.A OG THR 320.A O no hydrogen 3.509 N/A LEU 297.A N THR 320.A O no hydrogen 2.963 N/A THR 298.A N LEU 274.A O no hydrogen 2.922 N/A LEU 299.A N ASP 322.A O no hydrogen 2.853 N/A THR 300.A N ILE 276.A O no hydrogen 2.929 N/A THR 300.A OG1 ILE 276.A O no hydrogen 3.491 N/A THR 302.A N ASN 326.A OD1 no hydrogen 2.762 N/A THR 302.A OG1 ASN 326.A OD1 no hydrogen 2.995 N/A ILE 304.A N THR 302.A OG1 no hydrogen 2.744 N/A SER 306.A OG ILE 307.A O no hydrogen 3.506 N/A PHE 311.A N PRO 308.A O no hydrogen 2.942 N/A CYS 312.A SG GLY 333.A O no hydrogen 3.970 N/A GLN 313.A N LYS 310.A O no hydrogen 2.976 N/A GLN 315.A NE2 THR 291.A O no hydrogen 2.925 N/A LEU 318.A N GLN 315.A O no hydrogen 2.833 N/A ARG 319.A N GLU 295.A O no hydrogen 2.833 N/A THR 320.A N GLU 295.A O no hydrogen 3.012 N/A LEU 321.A N GLU 342.A O no hydrogen 2.906 N/A ASP 322.A N LEU 297.A O no hydrogen 2.943 N/A LEU 323.A N TYR 344.A O no hydrogen 2.913 N/A SER 324.A N ASP 322.A OD1 no hydrogen 2.656 N/A SER 324.A OG ASP 322.A OD1 no hydrogen 2.717 N/A TYR 325.A N GLN 346.A O no hydrogen 2.896 N/A ASN 326.A ND2 LEU 299.A O no hydrogen 3.141 N/A ILE 328.A N ASN 348.A OD1 no hydrogen 2.937 N/A SER 329.A N ARG 305.A O no hydrogen 2.923 N/A SER 329.A OG GLU 327.A O no hydrogen 3.217 N/A PHE 334.A N THR 357.A O no hydrogen 2.855 N/A CYS 337.A N PHE 334.A O no hydrogen 3.225 N/A SER 339.A OG LYS 316.A O no hydrogen 2.713 N/A LEU 340.A N CYS 337.A O no hydrogen 2.596 N/A GLU 341.A N ARG 319.A O no hydrogen 2.582 N/A GLU 342.A N ARG 319.A O no hydrogen 3.372 N/A VAL 343.A N MET 366.A O no hydrogen 2.945 N/A TYR 344.A N LEU 321.A O no hydrogen 2.927 N/A TYR 344.A OH GLU 342.A OE1 no hydrogen 2.678 N/A LEU 345.A N ASP 368.A O no hydrogen 2.748 N/A GLN 346.A N GLN 346.A OE1 no hydrogen 2.834 N/A ASN 347.A N SER 370.A O no hydrogen 3.064 N/A ASN 348.A ND2 LEU 323.A O no hydrogen 3.256 N/A ASN 348.A ND2 LEU 345.A O no hydrogen 3.030 N/A ASN 348.A ND2 GLN 346.A O no hydrogen 3.134 N/A GLN 349.A N ILE 328.A O no hydrogen 2.745 N/A GLN 354.A N THR 357.A OG1 no hydrogen 2.921 N/A THR 357.A N GLN 354.A O no hydrogen 3.058 N/A THR 357.A OG1 GLN 354.A O no hydrogen 2.459 N/A GLN 359.A N GLU 356.A O no hydrogen 3.266 N/A GLY 360.A N THR 384.A OG1 no hydrogen 3.141 N/A LEU 361.A N PHE 358.A O no hydrogen 3.254 N/A ARG 365.A N GLU 341.A O no hydrogen 2.656 N/A ARG 365.A NH1 GLU 341.A OE1 no hydrogen 2.783 N/A LEU 367.A N ASN 390.A O no hydrogen 2.984 N/A ASP 368.A N VAL 343.A O no hydrogen 2.917 N/A LEU 369.A N ASP 392.A O no hydrogen 2.916 N/A SER 370.A OG ASP 368.A OD1 no hydrogen 2.663 N/A ARG 371.A N SER 394.A O no hydrogen 2.866 N/A ASN 372.A N PHE 395.A O no hydrogen 3.277 N/A ASN 372.A ND2 LEU 345.A O no hydrogen 3.489 N/A ASN 372.A ND2 SER 370.A O no hydrogen 2.568 N/A HIS 375.A N GLN 351.A O no hydrogen 3.265 N/A THR 376.A N HIS 375.A ND1 no hydrogen 2.673 N/A THR 376.A OG1 GLU 352.A OE1 no hydrogen 3.281 N/A HIS 378.A N VAL 353.A O no hydrogen 2.400 N/A GLU 380.A N ILE 377.A O no hydrogen 3.269 N/A LEU 385.A N PHE 382.A O no hydrogen 3.097 N/A LYS 386.A NZ LYS 386.A O no hydrogen 3.429 N/A THR 389.A N ARG 365.A O no hydrogen 3.118 N/A THR 389.A OG1 ASN 390.A OD1 no hydrogen 2.838 N/A LEU 391.A N GLN 411.A O no hydrogen 2.995 N/A ASP 392.A N LEU 367.A O no hydrogen 2.978 N/A LEU 393.A N LYS 413.A O no hydrogen 2.994 N/A SER 394.A N ASP 392.A OD1 no hydrogen 2.873 N/A SER 394.A OG ASP 392.A OD1 no hydrogen 2.500 N/A PHE 395.A N THR 415.A O no hydrogen 2.533 N/A ASN 396.A ND2 LEU 393.A O no hydrogen 2.363 N/A ASP 397.A N ILE 374.A O no hydrogen 2.556 N/A LEU 398.A N ASN 417.A OD1 no hydrogen 2.996 N/A LEU 409.A N LEU 406.A O no hydrogen 3.304 N/A GLN 411.A N THR 389.A O no hydrogen 3.276 N/A LYS 413.A N LEU 391.A O no hydrogen 2.933 N/A ASN 417.A ND2 LEU 393.A O no hydrogen 3.302 N/A ASN 417.A ND2 LEU 414.A O no hydrogen 3.360 N/A ASN 417.A ND2 THR 415.A O no hydrogen 3.138 N/A ASN 419.A N ASN 396.A O no hydrogen 3.327 N/A