Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8jiu_R.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N GLN 1.A O no hydrogen 3.008 N/A LEU 6.A N MET 3.A O no hydrogen 3.202 N/A PHE 7.A N MET 3.A O no hydrogen 3.268 N/A PHE 7.A N ASP 4.A O no hydrogen 3.337 N/A TRP 10.A N LEU 6.A O no hydrogen 3.189 N/A TRP 10.A N PHE 7.A O no hydrogen 3.135 N/A LYS 11.A N PHE 7.A O no hydrogen 3.354 N/A LEU 12.A N GLU 8.A O no hydrogen 2.717 N/A TYR 13.A N LYS 9.A O no hydrogen 3.000 N/A GLY 14.A N TRP 10.A O no hydrogen 3.082 N/A ASP 15.A N LEU 12.A O no hydrogen 3.375 N/A GLN 16.A N LEU 12.A O no hydrogen 3.289 N/A GLN 16.A NE2 ASN 20.A OD1 no hydrogen 3.238 N/A CYS 17.A N TYR 13.A O no hydrogen 3.409 N/A CYS 17.A SG TYR 13.A O no hydrogen 3.441 N/A HIS 18.A N ASP 15.A O no hydrogen 2.940 N/A HIS 19.A N ASP 15.A O no hydrogen 3.140 N/A HIS 19.A N GLN 16.A O no hydrogen 3.027 N/A ASN 20.A N CYS 17.A O no hydrogen 2.920 N/A LEU 21.A N CYS 17.A O no hydrogen 2.629 N/A SER 22.A N HIS 18.A O no hydrogen 3.206 N/A SER 22.A OG HIS 18.A O no hydrogen 2.858 N/A CYS 32.A SG THR 45.A O no hydrogen 3.333 N/A ASN 33.A ND2 THR 28.A O no hydrogen 3.013 N/A SER 40.A N ASP 37.A O no hydrogen 2.815 N/A THR 45.A OG1 PRO 46.A O no hydrogen 3.227 N/A THR 45.A OG1 THR 49.A OG1 no hydrogen 2.877 N/A THR 45.A OG1 LYS 72.A O no hydrogen 3.421 N/A THR 49.A OG1 THR 45.A OG1 no hydrogen 2.877 N/A THR 49.A OG1 PRO 46.A O no hydrogen 2.847 N/A SER 54.A OG CYS 55.A O no hydrogen 3.021 N/A SER 54.A OG ARG 68.A O no hydrogen 3.444 N/A CYS 55.A SG PRO 56.A O no hydrogen 3.589 N/A VAL 65.A N HIS 62.A O no hydrogen 3.095 N/A VAL 70.A N ILE 53.A O no hydrogen 3.215 N/A ARG 73.A NH2 CYS 74.A O no hydrogen 2.942 N/A CYS 74.A SG THR 45.A O no hydrogen 2.962 N/A GLY 75.A N GLN 79.A O no hydrogen 2.798 N/A GLY 78.A N GLY 75.A O no hydrogen 3.207 N/A GLY 86.A N GLY 83.A O no hydrogen 3.069 N/A TRP 89.A NE1 ARG 82.A O no hydrogen 3.039 N/A ALA 92.A N ARG 90.A O no hydrogen 2.803 N/A SER 93.A OG GLN 94.A OE1 no hydrogen 3.289 N/A GLN 94.A N GLN 94.A OE1 no hydrogen 2.217 N/A GLN 94.A NE2 PHE 69.A O no hydrogen 3.354 N/A GLN 94.A NE2 ASP 91.A O no hydrogen 2.637 N/A CYS 95.A N ALA 92.A O no hydrogen 3.115 N/A GLN 96.A N SER 93.A O no hydrogen 3.182 N/A MET 97.A N GLN 96.A OE1 no hydrogen 3.252 N/A GLU 103.A N GLY 99.A O no hydrogen 2.848 N/A VAL 104.A N GLU 100.A O no hydrogen 3.118 N/A GLN 105.A N GLU 101.A O no hydrogen 2.621 N/A LYS 106.A N ILE 102.A O no hydrogen 2.929 N/A GLU 107.A N GLU 103.A O no hydrogen 2.916 N/A VAL 108.A N VAL 104.A O no hydrogen 2.891 N/A ALA 109.A N GLN 105.A O no hydrogen 3.020 N/A LYS 110.A N LYS 106.A O no hydrogen 3.224 N/A MET 111.A N GLU 107.A O no hydrogen 3.235 N/A TYR 112.A N VAL 108.A O no hydrogen 2.714 N/A SER 113.A N ALA 109.A O no hydrogen 2.606 N/A SER 114.A N LYS 110.A O no hydrogen 2.804 N/A SER 114.A OG LYS 110.A O no hydrogen 3.504 N/A PHE 115.A N MET 111.A O no hydrogen 2.925 N/A GLN 116.A N TYR 112.A O no hydrogen 2.903 N/A VAL 117.A N SER 113.A O no hydrogen 2.903 N/A MET 118.A N SER 114.A O no hydrogen 2.757 N/A TYR 119.A N PHE 115.A O no hydrogen 2.831 N/A TYR 119.A N GLN 116.A O no hydrogen 3.129 N/A THR 120.A N GLN 116.A O no hydrogen 2.866 N/A THR 120.A OG1 GLN 116.A O no hydrogen 3.113 N/A VAL 121.A N VAL 117.A O no hydrogen 3.184 N/A TYR 123.A N TYR 119.A O no hydrogen 3.043 N/A SER 124.A N THR 120.A O no hydrogen 3.125 N/A SER 124.A OG THR 120.A O no hydrogen 3.396 N/A SER 124.A OG VAL 121.A O no hydrogen 3.024 N/A LEU 125.A N VAL 121.A O no hydrogen 2.654 N/A SER 126.A N GLY 122.A O no hydrogen 2.980 N/A SER 126.A OG GLY 122.A O no hydrogen 3.018 N/A SER 126.A OG TYR 123.A O no hydrogen 3.163 N/A SER 126.A OG SER 364.A O no hydrogen 3.278 N/A LEU 127.A N SER 124.A O no hydrogen 2.968 N/A GLY 128.A N SER 124.A O no hydrogen 3.056 N/A LEU 130.A N SER 126.A O no hydrogen 3.204 N/A LEU 131.A N LEU 127.A O no hydrogen 3.520 N/A LEU 132.A N GLY 128.A O no hydrogen 3.120 N/A ALA 133.A N ALA 129.A O no hydrogen 2.854 N/A LEU 134.A N LEU 130.A O no hydrogen 2.775 N/A ALA 135.A N LEU 131.A O no hydrogen 2.850 N/A ILE 136.A N LEU 132.A O no hydrogen 3.211 N/A LEU 137.A N ALA 133.A O no hydrogen 2.874 N/A GLY 138.A N LEU 134.A O no hydrogen 2.921 N/A LEU 143.A N LEU 140.A O no hydrogen 3.093 N/A CYS 145.A SG LYS 142.A O no hydrogen 3.830 N/A ASN 148.A ND2 LYS 142.A O no hydrogen 3.064 N/A ALA 149.A N CYS 145.A O no hydrogen 2.603 N/A HIS 151.A N ARG 147.A O no hydrogen 3.427 N/A ALA 152.A N ASN 148.A O no hydrogen 2.922 N/A ASN 153.A N ALA 149.A O no hydrogen 2.907 N/A ASN 153.A ND2 ALA 149.A O no hydrogen 3.422 N/A LEU 154.A N ILE 150.A O no hydrogen 2.912 N/A PHE 155.A N HIS 151.A O no hydrogen 2.919 N/A ALA 156.A N ALA 152.A O no hydrogen 3.048 N/A SER 157.A N ASN 153.A O no hydrogen 3.230 N/A PHE 158.A N LEU 154.A O no hydrogen 2.884 N/A VAL 159.A N PHE 155.A O no hydrogen 2.914 N/A LEU 160.A N ALA 156.A O no hydrogen 2.862 N/A LYS 161.A N SER 157.A O no hydrogen 3.178 N/A ALA 162.A N PHE 158.A O no hydrogen 2.913 N/A SER 163.A N VAL 159.A O no hydrogen 2.928 N/A SER 164.A N LEU 160.A O no hydrogen 2.785 N/A SER 164.A OG PHE 204.A O no hydrogen 3.537 N/A VAL 165.A N LYS 161.A O no hydrogen 2.817 N/A LEU 166.A N ALA 162.A O no hydrogen 3.111 N/A LEU 166.A N SER 163.A O no hydrogen 3.324 N/A VAL 167.A N SER 164.A O no hydrogen 3.250 N/A ILE 168.A N SER 164.A O no hydrogen 3.201 N/A LEU 171.A N VAL 167.A O no hydrogen 3.505 N/A LEU 172.A N ILE 168.A O no hydrogen 3.469 N/A ARG 173.A N ASP 169.A O no hydrogen 2.648 N/A ARG 173.A NH2 GLN 116.A OE1 no hydrogen 3.189 N/A ARG 173.A NH2 ASP 169.A OD2 no hydrogen 3.481 N/A THR 174.A N GLY 170.A O no hydrogen 2.792 N/A ARG 175.A N LEU 172.A O no hydrogen 3.191 N/A ARG 175.A NH1 TYR 176.A OH no hydrogen 3.554 N/A ARG 175.A NH2 TRP 189.A O no hydrogen 2.972 N/A TYR 176.A N ARG 173.A O no hydrogen 3.367 N/A TYR 176.A OH GLN 267.A OE1 no hydrogen 2.904 N/A SER 177.A N ARG 173.A O no hydrogen 3.042 N/A SER 177.A OG SER 177.A O no hydrogen 2.254 N/A SER 185.A OG ASP 182.A O no hydrogen 2.910 N/A VAL 186.A N ASP 182.A O no hydrogen 3.426 N/A SER 187.A N ASP 183.A O no hydrogen 3.141 N/A SER 187.A OG ASP 183.A O no hydrogen 3.052 N/A SER 187.A OG LEU 184.A O no hydrogen 2.894 N/A THR 188.A N LEU 184.A O no hydrogen 2.980 N/A THR 188.A OG1 LEU 184.A O no hydrogen 2.760 N/A THR 188.A OG1 SER 185.A O no hydrogen 2.974 N/A TRP 189.A N SER 185.A O no hydrogen 2.927 N/A TRP 189.A NE1 ARG 175.A O no hydrogen 2.752 N/A LEU 190.A N VAL 186.A O no hydrogen 3.293 N/A SER 191.A N THR 188.A O no hydrogen 3.137 N/A SER 191.A OG SER 187.A O no hydrogen 2.841 N/A CYS 198.A N ALA 194.A O no hydrogen 3.305 N/A ARG 199.A N VAL 195.A O no hydrogen 2.888 N/A ARG 199.A NE VAL 266.A O no hydrogen 3.057 N/A ARG 199.A NH2 VAL 266.A O no hydrogen 2.958 N/A VAL 200.A N ALA 196.A O no hydrogen 3.058 N/A ALA 201.A N GLY 197.A O no hydrogen 3.013 N/A ALA 202.A N CYS 198.A O no hydrogen 2.976 N/A ALA 202.A N ARG 199.A O no hydrogen 3.178 N/A VAL 203.A N ARG 199.A O no hydrogen 3.181 N/A PHE 204.A N VAL 200.A O no hydrogen 2.937 N/A MET 205.A N ALA 202.A O no hydrogen 2.850 N/A GLN 206.A N ALA 202.A O no hydrogen 2.949 N/A TYR 207.A N VAL 203.A O no hydrogen 3.009 N/A TYR 207.A OH TRP 246.A O no hydrogen 2.793 N/A ILE 209.A N MET 205.A O no hydrogen 3.153 N/A VAL 210.A N GLN 206.A O no hydrogen 3.095 N/A ALA 211.A N TYR 207.A O no hydrogen 2.853 N/A ASN 212.A N GLY 208.A O no hydrogen 2.938 N/A TYR 213.A N ILE 209.A O no hydrogen 3.281 N/A TYR 213.A OH HIS 335.A NE2 no hydrogen 2.588 N/A CYS 214.A N VAL 210.A O no hydrogen 2.926 N/A CYS 214.A SG VAL 210.A O no hydrogen 3.723 N/A CYS 214.A SG ILE 244.A O no hydrogen 4.042 N/A TRP 215.A N ALA 211.A O no hydrogen 2.877 N/A TRP 215.A NE1 ILE 150.A O no hydrogen 3.175 N/A LEU 216.A N ASN 212.A O no hydrogen 2.977 N/A LEU 217.A N TYR 213.A O no hydrogen 2.989 N/A VAL 218.A N CYS 214.A O no hydrogen 2.933 N/A GLU 219.A N TRP 215.A O no hydrogen 3.133 N/A GLY 220.A N LEU 216.A O no hydrogen 3.079 N/A LEU 221.A N LEU 217.A O no hydrogen 2.873 N/A TYR 222.A N VAL 218.A O no hydrogen 2.895 N/A LEU 223.A N GLU 219.A O no hydrogen 3.383 N/A HIS 224.A N GLY 220.A O no hydrogen 2.898 N/A ASN 225.A N LEU 221.A O no hydrogen 2.842 N/A LEU 226.A N LEU 223.A O no hydrogen 3.325 N/A LEU 227.A N HIS 224.A O no hydrogen 3.461 N/A THR 231.A OG1 LEU 232.A O no hydrogen 3.268 N/A TYR 241.A N PHE 237.A O no hydrogen 3.206 N/A LEU 242.A N PHE 238.A O no hydrogen 3.136 N/A LEU 242.A N SER 239.A O no hydrogen 3.129 N/A GLY 243.A N LEU 240.A O no hydrogen 3.233 N/A ILE 244.A N LEU 240.A O no hydrogen 3.140 N/A GLY 245.A N TYR 241.A O no hydrogen 3.121 N/A TRP 246.A NE1 ASN 153.A OD1 no hydrogen 2.980 N/A ALA 248.A N GLY 243.A O no hydrogen 3.047 N/A MET 250.A N GLY 247.A O no hydrogen 3.021 N/A MET 250.A SD TRP 246.A O no hydrogen 3.859 N/A MET 250.A SD GLY 247.A O no hydrogen 3.956 N/A PHE 252.A N PRO 249.A O no hydrogen 2.736 N/A VAL 253.A N PRO 249.A O no hydrogen 2.784 N/A VAL 254.A N MET 250.A O no hydrogen 3.004 N/A TRP 256.A N VAL 253.A O no hydrogen 2.985 N/A ALA 257.A N VAL 253.A O no hydrogen 3.005 N/A VAL 258.A N VAL 254.A O no hydrogen 3.116 N/A VAL 259.A N PRO 255.A O no hydrogen 3.070 N/A LYS 260.A N TRP 256.A O no hydrogen 3.023 N/A LYS 260.A N ALA 257.A O no hydrogen 3.284 N/A CYS 261.A N ALA 257.A O no hydrogen 2.922 N/A LEU 262.A N VAL 258.A O no hydrogen 2.960 N/A PHE 263.A N VAL 259.A O no hydrogen 3.136 N/A GLU 264.A N VAL 259.A O no hydrogen 3.341 N/A ASN 265.A ND2 LYS 260.A O no hydrogen 2.976 N/A GLN 267.A NE2 LEU 190.A O no hydrogen 3.091 N/A THR 270.A OG1 CYS 268.A O no hydrogen 3.567 N/A PHE 277.A N ASN 274.A O no hydrogen 2.718 N/A TRP 278.A N MET 275.A O no hydrogen 2.993 N/A TRP 279.A N GLY 276.A O no hydrogen 3.326 N/A LEU 281.A N TRP 278.A O no hydrogen 3.233 N/A ARG 282.A N TRP 279.A O no hydrogen 3.232 N/A ARG 282.A NE TRP 278.A O no hydrogen 3.217 N/A PHE 283.A N TRP 279.A O no hydrogen 2.975 N/A PHE 286.A N ARG 282.A O no hydrogen 2.871 N/A LEU 287.A N PHE 283.A O no hydrogen 2.913 N/A ALA 288.A N PRO 284.A O no hydrogen 2.881 N/A ILE 289.A N VAL 285.A O no hydrogen 2.880 N/A LEU 290.A N PHE 286.A O no hydrogen 2.906 N/A ILE 291.A N LEU 287.A O no hydrogen 2.943 N/A PHE 293.A N ILE 289.A O no hydrogen 2.902 N/A PHE 294.A N LEU 290.A O no hydrogen 2.975 N/A PHE 296.A N ASN 292.A O no hydrogen 2.984 N/A VAL 297.A N PHE 293.A O no hydrogen 2.961 N/A ARG 298.A N PHE 294.A O no hydrogen 2.946 N/A ILE 299.A N ILE 295.A O no hydrogen 2.877 N/A VAL 300.A N PHE 296.A O no hydrogen 3.280 N/A GLN 301.A N VAL 297.A O no hydrogen 2.929 N/A LEU 302.A N ILE 299.A O no hydrogen 3.148 N/A LEU 303.A N ILE 299.A O no hydrogen 2.855 N/A VAL 304.A N VAL 300.A O no hydrogen 2.922 N/A ALA 305.A N LEU 302.A O no hydrogen 3.054 N/A LYS 306.A N LEU 302.A O no hydrogen 3.055 N/A LEU 307.A N LEU 303.A O no hydrogen 3.254 N/A TYR 317.A N HIS 314.A O no hydrogen 2.901 N/A ALA 322.A N LYS 318.A O no hydrogen 2.779 N/A LYS 323.A N PHE 319.A O no hydrogen 3.188 N/A SER 324.A N ARG 320.A O no hydrogen 2.927 N/A THR 325.A N LEU 321.A O no hydrogen 3.082 N/A THR 325.A OG1 ALA 322.A O no hydrogen 2.762 N/A LEU 326.A N ALA 322.A O no hydrogen 3.040 N/A THR 327.A N LYS 323.A O no hydrogen 3.002 N/A LEU 328.A N THR 325.A O no hydrogen 3.015 N/A ILE 329.A N THR 325.A O no hydrogen 2.860 N/A VAL 337.A N VAL 334.A O no hydrogen 2.983 N/A PHE 339.A N GLU 336.A O no hydrogen 2.959 N/A THR 343.A OG1 GLU 345.A O no hydrogen 2.836 N/A ARG 352.A NH1 ASP 344.A O no hydrogen 3.008 N/A ARG 352.A NH1 ALA 347.A O no hydrogen 3.005 N/A SER 353.A OG THR 350.A O no hydrogen 2.614 N/A ALA 354.A N THR 350.A O no hydrogen 2.909 N/A LYS 355.A N LEU 351.A O no hydrogen 2.883 N/A LYS 355.A NZ VAL 342.A O no hydrogen 3.165 N/A LEU 356.A N ARG 352.A O no hydrogen 2.880 N/A PHE 357.A N SER 353.A O no hydrogen 2.902 N/A PHE 358.A N ALA 354.A O no hydrogen 2.928 N/A ASP 359.A N LYS 355.A O no hydrogen 2.870 N/A LEU 360.A N LEU 356.A O no hydrogen 2.836 N/A PHE 361.A N PHE 357.A O no hydrogen 2.905 N/A LEU 362.A N PHE 358.A O no hydrogen 3.005 N/A SER 363.A N ASP 359.A O no hydrogen 2.826 N/A SER 364.A N LEU 360.A O no hydrogen 2.807 N/A SER 364.A OG LEU 360.A O no hydrogen 2.733 N/A SER 364.A OG PHE 361.A O no hydrogen 2.755 N/A PHE 365.A N PHE 361.A O no hydrogen 3.012 N/A LEU 369.A N PHE 365.A O no hydrogen 2.947 N/A VAL 370.A N GLN 366.A O no hydrogen 2.828 N/A ALA 371.A N GLY 367.A O no hydrogen 2.921 N/A VAL 372.A N LEU 368.A O no hydrogen 2.912 N/A LEU 373.A N LEU 369.A O no hydrogen 2.894 N/A TYR 374.A N VAL 370.A O no hydrogen 2.895 N/A TYR 374.A OH LEU 328.A O no hydrogen 2.750 N/A CYS 375.A N ALA 371.A O no hydrogen 2.893 N/A CYS 375.A SG TYR 374.A O no hydrogen 3.337 N/A PHE 376.A N VAL 372.A O no hydrogen 3.278 N/A GLU 380.A N ASN 378.A OD1 no hydrogen 3.369 N/A GLN 382.A N ASN 378.A O no hydrogen 3.154 N/A SER 383.A N LYS 379.A O no hydrogen 2.911 N/A GLU 384.A N GLU 380.A O no hydrogen 2.926 N/A LEU 385.A N VAL 381.A O no hydrogen 2.855 N/A ARG 386.A N GLN 382.A O no hydrogen 3.038 N/A ARG 387.A N SER 383.A O no hydrogen 2.955 N/A ARG 388.A N GLU 384.A O no hydrogen 2.866 N/A ARG 388.A NE GLU 384.A OE2 no hydrogen 3.031 N/A TRP 389.A N LEU 385.A O no hydrogen 2.993 N/A TRP 389.A N ARG 386.A O no hydrogen 3.106 N/A HIS 390.A N ARG 386.A O no hydrogen 2.762 N/A ARG 391.A N ARG 387.A O no hydrogen 2.911 N/A TRP 392.A N TRP 389.A O no hydrogen 3.130 N/A ARG 393.A N TRP 389.A O no hydrogen 2.795 N/A