Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8wa1_J.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A N SER 7.A OG no hydrogen 2.969 N/A SER 7.A N THR 4.A O no hydrogen 2.983 N/A SER 7.A N THR 4.A OG1 no hydrogen 3.209 N/A SER 7.A OG THR 4.A O no hydrogen 2.585 N/A SER 7.A OG THR 4.A OG1 no hydrogen 3.316 N/A GLN 8.A NE2 PRO 5.A O no hydrogen 3.443 N/A LEU 9.A N ALA 6.A O no hydrogen 3.193 N/A GLU 10.A N GLU 34.A O no hydrogen 3.280 N/A ALA 12.A N PHE 32.A O no hydrogen 3.107 N/A PHE 16.A N ASP 13.A O no hydrogen 3.283 N/A LYS 18.A N PRO 14.A O no hydrogen 3.088 N/A ILE 19.A N ASP 15.A O no hydrogen 3.018 N/A TYR 21.A N TYR 17.A O no hydrogen 2.979 N/A VAL 22.A N LYS 18.A O no hydrogen 3.091 N/A ARG 23.A N GLY 20.A O no hydrogen 2.957 N/A ARG 23.A NH1 ILE 19.A O no hydrogen 3.277 N/A SER 24.A N TYR 21.A O no hydrogen 3.063 N/A PHE 25.A N GLY 20.A O no hydrogen 2.860 N/A ARG 26.A N GLU 58.A O no hydrogen 3.118 N/A ALA 27.A N TYR 17.A OH no hydrogen 3.269 N/A TYR 28.A N ILE 56.A O no hydrogen 2.763 N/A TYR 28.A OH GLU 58.A OE1 no hydrogen 3.134 N/A GLU 31.A N PHE 42.A O no hydrogen 2.769 N/A ARG 33.A N GLY 40.A O no hydrogen 3.203 N/A GLY 40.A N ARG 33.A O no hydrogen 3.167 N/A PHE 42.A N GLU 31.A O no hydrogen 3.050 N/A ALA 43.A N ASP 255.A O no hydrogen 2.825 N/A SER 44.A N GLY 29.A O no hydrogen 3.162 N/A VAL 47.A N ILE 251.A O no hydrogen 2.686 N/A ILE 56.A N VAL 243.A O no hydrogen 2.861 N/A MET 57.A N VAL 243.A O no hydrogen 3.479 N/A GLU 58.A N ARG 26.A O no hydrogen 2.974 N/A ILE 59.A N LEU 241.A O no hydrogen 2.772 N/A LEU 61.A N ARG 239.A O no hydrogen 3.138 N/A MET 64.A N LEU 61.A O no hydrogen 3.229 N/A LEU 65.A N LEU 215.A O no hydrogen 3.074 N/A ILE 67.A N ASN 213.A O no hydrogen 2.956 N/A SER 68.A OG PRO 72.A O no hydrogen 2.590 N/A LYS 69.A N ASP 211.A O no hydrogen 3.239 N/A TRP 73.A NE1 ASN 91.A OD1 no hydrogen 2.982 N/A MET 74.A N SER 68.A OG no hydrogen 3.046 N/A ILE 86.A N HIS 84.A ND1 no hydrogen 3.228 N/A PHE 87.A N HIS 84.A O no hydrogen 3.123 N/A ILE 89.A N PRO 85.A O no hydrogen 2.920 N/A ILE 90.A N ILE 86.A O no hydrogen 2.901 N/A ASN 91.A N PHE 87.A O no hydrogen 2.872 N/A SER 92.A N ASP 88.A O no hydrogen 3.324 N/A SER 92.A OG ASP 88.A O no hydrogen 2.999 N/A SER 92.A OG ILE 89.A O no hydrogen 2.843 N/A THR 93.A OG1 ILE 90.A O no hydrogen 2.480 N/A ARG 102.A NH1 ASN 94.A O no hydrogen 3.284 N/A LEU 103.A N SER 99.A O no hydrogen 3.418 N/A ALA 104.A N ASP 100.A O no hydrogen 2.883 N/A CYS 105.A N LEU 101.A O no hydrogen 2.939 N/A CYS 105.A SG LEU 101.A O no hydrogen 3.251 N/A LEU 106.A N ARG 102.A O no hydrogen 2.902 N/A LEU 107.A N LEU 103.A O no hydrogen 2.880 N/A LEU 108.A N ALA 104.A O no hydrogen 2.916 N/A TYR 109.A N CYS 105.A O no hydrogen 2.941 N/A ALA 110.A N LEU 106.A O no hydrogen 2.869 N/A PHE 111.A N LEU 107.A O no hydrogen 2.908 N/A ASP 112.A N LEU 108.A O no hydrogen 2.928 N/A CYS 113.A N TYR 109.A O no hydrogen 2.477 N/A CYS 113.A SG LYS 114.A O no hydrogen 3.533 N/A TRP 118.A N ASN 116.A OD1 no hydrogen 3.163 N/A GLN 119.A N ASN 116.A O no hydrogen 3.236 N/A GLN 119.A NE2 PHE 111.A O no hydrogen 3.040 N/A LEU 120.A N PHE 117.A O no hydrogen 3.150 N/A TYR 121.A N PHE 117.A O no hydrogen 2.917 N/A GLY 122.A N TRP 118.A O no hydrogen 2.876 N/A PHE 124.A N TYR 121.A O no hydrogen 3.234 N/A LEU 125.A N GLY 122.A O no hydrogen 3.119 N/A SER 127.A OG ASP 128.A OD1 no hydrogen 2.574 N/A CYS 131.A N SER 127.A O no hydrogen 2.793 N/A ASP 141.A N THR 138.A O no hydrogen 3.245 N/A LEU 142.A N THR 138.A O no hydrogen 3.405 N/A LEU 143.A N GLU 139.A O no hydrogen 2.908 N/A GLU 144.A N GLU 140.A O no hydrogen 2.884 N/A LEU 145.A N ASP 141.A O no hydrogen 2.923 N/A GLN 146.A N LEU 143.A O no hydrogen 3.356 N/A GLN 146.A NE2 THR 372.A OG1 no hydrogen 3.033 N/A ALA 151.A N ASP 147.A O no hydrogen 3.210 N/A SER 152.A N GLU 148.A O no hydrogen 2.900 N/A THR 153.A N LYS 149.A O no hydrogen 2.920 N/A THR 153.A OG1 LYS 149.A O no hydrogen 3.110 N/A THR 153.A OG1 LEU 150.A O no hydrogen 2.604 N/A MET 154.A N LEU 150.A O no hydrogen 2.927 N/A ARG 155.A N ALA 151.A O no hydrogen 2.905 N/A ARG 155.A NE GLU 139.A OE1 no hydrogen 3.059 N/A ARG 155.A NH2 GLU 139.A OE2 no hydrogen 2.395 N/A GLU 156.A N SER 152.A O no hydrogen 2.892 N/A GLN 157.A N THR 153.A O no hydrogen 2.917 N/A GLN 158.A N MET 154.A O no hydrogen 2.924 N/A GLN 159.A N ARG 155.A O no hydrogen 2.917 N/A ARG 160.A N GLU 156.A O no hydrogen 2.890 N/A ALA 161.A N GLN 157.A O no hydrogen 2.939 N/A LEU 162.A N GLN 158.A O no hydrogen 2.937 N/A GLU 163.A N GLN 159.A O no hydrogen 2.877 N/A PHE 164.A N ARG 160.A O no hydrogen 2.904 N/A TRP 165.A N ALA 161.A O no hydrogen 2.948 N/A TRP 165.A NE1 ALA 181.A O no hydrogen 3.319 N/A GLU 166.A N LEU 162.A O no hydrogen 2.905 N/A LYS 167.A N GLU 163.A O no hydrogen 2.903 N/A LYS 167.A NZ ASN 168.A OD1 no hydrogen 3.343 N/A ASN 168.A N PHE 164.A O no hydrogen 2.938 N/A TRP 169.A N TRP 165.A O no hydrogen 2.937 N/A TRP 169.A NE1 ILE 177.A O no hydrogen 2.934 N/A VAL 173.A N HIS 170.A O no hydrogen 3.286 N/A ILE 177.A N PRO 174.A O no hydrogen 3.208 N/A LYS 178.A N PRO 174.A O no hydrogen 3.001 N/A LYS 178.A NZ HIS 170.A O no hydrogen 3.171 N/A ARG 179.A N LEU 175.A O no hydrogen 2.905 N/A LEU 180.A N ILE 177.A O no hydrogen 3.024 N/A ARG 186.A N ASP 183.A O no hydrogen 3.264 N/A ILE 188.A N PRO 184.A O no hydrogen 2.905 N/A TRP 189.A N GLU 185.A O no hydrogen 2.887 N/A TRP 189.A NE1 PRO 126.A O no hydrogen 2.886 N/A ALA 190.A N ARG 186.A O no hydrogen 2.891 N/A MET 191.A N PHE 187.A O no hydrogen 2.901 N/A CYS 192.A N ILE 188.A O no hydrogen 2.878 N/A CYS 192.A SG ILE 188.A O no hydrogen 3.005 N/A ILE 193.A N TRP 189.A O no hydrogen 2.904 N/A ALA 194.A N ALA 190.A O no hydrogen 2.903 N/A GLN 195.A N MET 191.A O no hydrogen 2.881 N/A SER 196.A N CYS 192.A O no hydrogen 2.909 N/A SER 196.A OG CYS 192.A O no hydrogen 3.092 N/A SER 196.A OG ARG 273.A O no hydrogen 3.183 N/A SER 198.A OG GLN 195.A O no hydrogen 3.542 N/A ILE 199.A N LEU 214.A O no hydrogen 3.139 N/A MET 203.A N GLN 210.A O no hydrogen 3.010 N/A ARG 204.A NE GLY 206.A O no hydrogen 3.404 N/A ILE 205.A N LEU 208.A O no hydrogen 3.174 N/A LEU 208.A N ILE 205.A O no hydrogen 3.237 N/A GLN 210.A N MET 203.A O no hydrogen 3.165 N/A ASP 211.A N ASP 211.A OD1 no hydrogen 2.553 N/A ALA 212.A N LEU 201.A O no hydrogen 3.337 N/A ASN 213.A N ILE 67.A O no hydrogen 2.835 N/A LEU 214.A N ILE 199.A O no hydrogen 3.013 N/A LEU 215.A N LEU 65.A O no hydrogen 2.636 N/A TYR 218.A N TYR 121.A OH no hydrogen 3.102 N/A TYR 218.A OH PHE 16.A O no hydrogen 2.662 N/A SER 225.A N VAL 259.A O no hydrogen 3.391 N/A GLN 227.A N SER 225.A OG no hydrogen 3.304 N/A ASN 229.A N THR 258.A O no hydrogen 3.291 N/A ASN 229.A ND2 GLU 256.A O no hydrogen 3.458 N/A CYS 230.A N THR 258.A O no hydrogen 3.248 N/A PHE 231.A N MET 244.A O no hydrogen 3.077 N/A HIS 233.A N GLU 242.A O no hydrogen 2.901 N/A TRP 234.A NE1 ARG 204.A O no hydrogen 3.227 N/A ARG 235.A N MET 240.A O no hydrogen 2.974 N/A ARG 235.A NE GLU 242.A OE2 no hydrogen 3.057 N/A ARG 235.A NH1 ASP 238.A OD2 no hydrogen 3.095 N/A ARG 235.A NH2 GLU 58.A OE2 no hydrogen 3.360 N/A ARG 235.A NH2 GLU 242.A OE2 no hydrogen 2.588 N/A MET 240.A N ARG 235.A O no hydrogen 3.125 N/A LEU 241.A N ILE 59.A O no hydrogen 2.739 N/A GLU 242.A N HIS 233.A O no hydrogen 2.896 N/A VAL 243.A N MET 57.A O no hydrogen 3.085 N/A MET 244.A N PHE 231.A O no hydrogen 3.141 N/A ILE 245.A N ARG 54.A O no hydrogen 2.965 N/A ASN 246.A N ASN 229.A O no hydrogen 2.866 N/A GLY 248.A N LEU 50.A O no hydrogen 3.085 N/A GLN 249.A NE2 ASN 229.A OD1 no hydrogen 2.353 N/A ILE 251.A N VAL 47.A O no hydrogen 2.990 N/A LYS 253.A N ASP 46.A OD1 no hydrogen 2.676 N/A GLY 254.A N ALA 43.A O no hydrogen 3.359 N/A ASP 255.A N ARG 252.A O no hydrogen 3.254 N/A MET 257.A N VAL 41.A O no hydrogen 2.949 N/A VAL 259.A N ASN 223.A O no hydrogen 3.149 N/A TYR 261.A N HIS 224.A ND1 no hydrogen 3.513 N/A ASN 267.A N ASP 284.A OD1 no hydrogen 3.444 N/A ASN 267.A ND2 SER 278.A O no hydrogen 3.332 N/A MET 271.A N ASN 267.A O no hydrogen 2.885 N/A GLN 272.A N ASN 268.A O no hydrogen 2.881 N/A ARG 273.A N PHE 269.A O no hydrogen 2.913 N/A TYR 274.A N PHE 270.A O no hydrogen 2.894 N/A PHE 276.A N PHE 270.A O no hydrogen 3.387 N/A SER 277.A OG HIS 400.A ND1 no hydrogen 3.169 N/A ASN 281.A ND2 GLN 265.A O no hydrogen 3.166 N/A TRP 283.A N ASN 281.A OD1 no hydrogen 2.841 N/A ILE 286.A N THR 336.A OG1 no hydrogen 2.697 N/A THR 289.A OG1 THR 289.A O no hydrogen 2.562 N/A ILE 294.A N PRO 338.A O no hydrogen 2.914 N/A HIS 295.A N GLU 352.A OE2 no hydrogen 2.753 N/A PHE 299.A N HIS 295.A O no hydrogen 3.155 N/A LEU 300.A N LEU 296.A O no hydrogen 2.929 N/A SER 301.A N ASP 297.A O no hydrogen 2.895 N/A SER 301.A OG ASP 297.A O no hydrogen 2.790 N/A SER 301.A OG ASP 297.A OD1 no hydrogen 3.351 N/A VAL 302.A N THR 298.A O no hydrogen 2.881 N/A PHE 303.A N PHE 299.A O no hydrogen 2.958 N/A ASN 304.A N SER 301.A O no hydrogen 3.144 N/A ILE 305.A N LEU 300.A O no hydrogen 2.705 N/A SER 306.A N TYR 313.A O no hydrogen 3.235 N/A GLU 311.A N LEU 308.A O no hydrogen 2.893 N/A TYR 313.A N SER 306.A O no hydrogen 3.441 N/A ASN 315.A N ASN 304.A O no hydrogen 3.473 N/A LEU 318.A N ASN 315.A O no hydrogen 3.130 N/A SER 319.A N ASN 315.A O no hydrogen 3.001 N/A SER 319.A OG ASN 315.A O no hydrogen 2.454 N/A ILE 331.A N ASP 327.A O no hydrogen 3.364 N/A ALA 332.A N GLY 328.A O no hydrogen 2.899 N/A ALA 333.A N ALA 329.A O no hydrogen 2.903 N/A ALA 334.A N ILE 330.A O no hydrogen 2.871 N/A ARG 335.A N ILE 331.A O no hydrogen 2.934 N/A ARG 335.A NH1 PRO 282.A O no hydrogen 2.881 N/A THR 336.A N ALA 332.A O no hydrogen 2.897 N/A THR 336.A OG1 ILE 286.A O no hydrogen 2.849 N/A LEU 337.A N ALA 333.A O no hydrogen 2.598 N/A TRP 340.A N ILE 294.A O no hydrogen 3.070 N/A LEU 345.A N ASP 342.A O no hydrogen 3.232 N/A GLU 352.A N ILE 348.A O no hydrogen 3.080 N/A ARG 353.A N PRO 349.A O no hydrogen 2.889 N/A ARG 353.A NE GLN 416.A OE1 no hydrogen 2.468 N/A LYS 354.A N SER 350.A O no hydrogen 2.939 N/A ALA 355.A N LEU 351.A O no hydrogen 2.897 N/A VAL 356.A N GLU 352.A O no hydrogen 2.887 N/A LYS 357.A N ARG 353.A O no hydrogen 2.936 N/A GLU 358.A N LYS 354.A O no hydrogen 2.945 N/A LEU 359.A N ALA 355.A O no hydrogen 2.905 N/A GLN 360.A N VAL 356.A O no hydrogen 2.871 N/A GLU 361.A N LYS 357.A O no hydrogen 2.938 N/A GLU 362.A N GLU 358.A O no hydrogen 2.943 N/A CYS 363.A N LEU 359.A O no hydrogen 2.876 N/A CYS 363.A SG LEU 359.A O no hydrogen 3.134 N/A HIS 364.A N GLN 360.A O no hydrogen 2.891 N/A GLN 365.A N GLU 361.A O no hydrogen 2.937 N/A MET 366.A N GLU 362.A O no hydrogen 2.930 N/A LEU 367.A N CYS 363.A O no hydrogen 2.884 N/A ALA 368.A N HIS 364.A O no hydrogen 2.897 N/A GLU 369.A N GLN 365.A O no hydrogen 2.949 N/A GLU 369.A N MET 366.A O no hydrogen 3.254 N/A THR 372.A N PHE 370.A O no hydrogen 2.730 N/A GLU 376.A N THR 373.A OG1 no hydrogen 3.410 N/A ASP 377.A N THR 373.A O no hydrogen 3.036 N/A GLN 378.A N SER 374.A O no hydrogen 2.910 N/A LYS 379.A N ASP 375.A O no hydrogen 2.883 N/A ILE 380.A N GLU 376.A O no hydrogen 2.900 N/A LEU 381.A N ASP 377.A O no hydrogen 2.896 N/A ASP 382.A N GLN 378.A O no hydrogen 2.929 N/A SER 383.A N LYS 379.A O no hydrogen 2.879 N/A CYS 387.A SG MET 384.A O no hydrogen 3.993 N/A CYS 387.A SG ARG 388.A O no hydrogen 3.693 N/A ARG 389.A NH2 PRO 36.A O no hydrogen 3.164 N/A GLU 392.A N ARG 388.A O no hydrogen 3.215 N/A ALA 393.A N ARG 389.A O no hydrogen 2.904 N/A ALA 394.A N THR 390.A O no hydrogen 2.888 N/A ILE 395.A N LEU 391.A O no hydrogen 2.944 N/A LYS 396.A N GLU 392.A O no hydrogen 2.890 N/A TYR 397.A N ALA 393.A O no hydrogen 2.882 N/A TYR 397.A OH ASN 268.A OD1 no hydrogen 3.132 N/A ARG 398.A N ALA 394.A O no hydrogen 2.960 N/A ARG 398.A NH2 THR 372.A OG1 no hydrogen 3.251 N/A LEU 399.A N ILE 395.A O no hydrogen 2.900 N/A HIS 400.A N LYS 396.A O no hydrogen 2.837 N/A HIS 400.A ND1 SER 277.A OG no hydrogen 3.169 N/A ARG 401.A N TYR 397.A O no hydrogen 2.950 N/A LYS 402.A N ARG 398.A O no hydrogen 2.954 N/A LYS 402.A NZ ASP 377.A OD2 no hydrogen 3.467 N/A LEU 403.A N LEU 399.A O no hydrogen 2.861 N/A LEU 404.A N HIS 400.A O no hydrogen 2.868 N/A ILE 405.A N ARG 401.A O no hydrogen 2.969 N/A GLU 406.A N LYS 402.A O no hydrogen 2.920 N/A LYS 407.A N LEU 403.A O no hydrogen 2.851 N/A LYS 407.A NZ PHE 325.A O no hydrogen 3.482 N/A LYS 407.A NZ ASP 327.A OD1 no hydrogen 3.117 N/A LYS 407.A NZ ASP 327.A OD2 no hydrogen 3.016 N/A VAL 408.A N LEU 404.A O no hydrogen 2.890 N/A ILE 409.A N ILE 405.A O no hydrogen 2.965 N/A GLN 410.A N GLU 406.A O no hydrogen 2.915 N/A ALA 411.A N LYS 407.A O no hydrogen 2.840 N/A LEU 412.A N VAL 408.A O no hydrogen 2.919 N/A ASP 413.A N ILE 409.A O no hydrogen 2.942 N/A ILE 414.A N GLN 410.A O no hydrogen 2.889 N/A TYR 415.A N ALA 411.A O no hydrogen 2.873 N/A TYR 415.A OH GLU 352.A OE2 no hydrogen 2.911 N/A GLN 416.A N LEU 412.A O no hydrogen 2.919 N/A ASP 417.A N ASP 413.A O no hydrogen 2.925 N/A ARG 418.A N ILE 414.A O no hydrogen 2.862 N/A ILE 419.A N TYR 415.A O no hydrogen 2.916 N/A