Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kux_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 7.A N GLY 30.A O no hydrogen 2.686 N/A LYS 8.A N ASP 66.A OD2 no hydrogen 3.061 N/A VAL 9.A N GLU 32.A O no hydrogen 2.732 N/A GLY 10.A N LEU 67.A O no hydrogen 2.656 N/A LEU 11.A N GLY 35.A O no hydrogen 2.947 N/A LEU 12.A N VAL 69.A O no hydrogen 3.221 N/A GLY 13.A N SER 37.A OG no hydrogen 3.340 N/A TYR 14.A OH ASP 47.A OD2 no hydrogen 3.152 N/A TYR 16.A OH GLU 252.A OE2 no hydrogen 3.324 N/A SER 18.A OG GLY 13.A O no hydrogen 2.927 N/A LYS 19.A N GLY 15.A O no hydrogen 3.042 N/A THR 20.A N TYR 16.A O no hydrogen 2.941 N/A THR 20.A OG1 TYR 16.A O no hydrogen 2.669 N/A PHE 21.A N ALA 17.A O no hydrogen 2.768 N/A HIS 22.A N ALA 17.A O no hydrogen 3.129 N/A HIS 22.A ND1 TYR 298.A OH no hydrogen 2.844 N/A HIS 22.A NE2 ASP 94.A OD2 no hydrogen 2.732 N/A ALA 23.A N SER 18.A O no hydrogen 2.845 N/A LEU 25.A N PHE 21.A O no hydrogen 2.895 N/A ILE 26.A N HIS 22.A O no hydrogen 2.902 N/A THR 28.A N ILE 26.A O no hydrogen 3.093 N/A THR 28.A OG1 LEU 25.A O no hydrogen 2.689 N/A LEU 31.A N THR 28.A O no hydrogen 3.112 N/A GLU 32.A N ILE 7.A O no hydrogen 2.968 N/A GLY 35.A N VAL 9.A O no hydrogen 3.351 N/A VAL 36.A N PRO 52.A O no hydrogen 3.358 N/A SER 37.A N LEU 11.A O no hydrogen 3.083 N/A SER 38.A N VAL 54.A O no hydrogen 2.666 N/A SER 38.A OG ASP 40.A O no hydrogen 3.489 N/A LYS 43.A N ASP 40.A O no hydrogen 3.217 N/A HIS 45.A N ALA 41.A O no hydrogen 2.797 N/A ALA 46.A N SER 42.A O no hydrogen 3.336 N/A ASP 47.A N VAL 44.A O no hydrogen 2.691 N/A TRP 48.A N VAL 44.A O no hydrogen 2.972 N/A VAL 53.A N ILE 51.A O no hydrogen 2.341 N/A VAL 54.A N VAL 36.A O no hydrogen 2.829 N/A GLN 58.A N ASP 56.A OD1 no hydrogen 3.426 N/A GLN 58.A NE2 GLN 58.A O no hydrogen 2.943 N/A PHE 60.A N PRO 57.A O no hydrogen 3.101 N/A ASN 61.A N GLN 58.A O no hydrogen 3.011 N/A SER 64.A N ASP 62.A OD1 no hydrogen 3.037 N/A SER 64.A OG ASP 62.A OD1 no hydrogen 2.803 N/A ASP 66.A N LYS 8.A O no hydrogen 2.863 N/A LEU 67.A N LYS 8.A O no hydrogen 3.090 N/A ILE 68.A N HIS 90.A O no hydrogen 2.815 N/A VAL 69.A N GLY 10.A O no hydrogen 2.982 N/A ILE 70.A N VAL 92.A O no hydrogen 2.757 N/A THR 72.A OG1 THR 76.A OG1 no hydrogen 2.599 N/A THR 76.A N PRO 73.A O no hydrogen 2.993 N/A THR 76.A OG1 THR 72.A OG1 no hydrogen 2.599 N/A THR 76.A OG1 PRO 73.A O no hydrogen 2.695 N/A HIS 77.A ND1 PHE 97.A O no hydrogen 3.005 N/A HIS 77.A NE2 THR 72.A O no hydrogen 2.853 N/A LEU 80.A N THR 76.A O no hydrogen 2.971 N/A ALA 81.A N HIS 77.A O no hydrogen 2.663 N/A GLN 82.A N PHE 78.A O no hydrogen 2.715 N/A SER 83.A N PRO 79.A O no hydrogen 2.858 N/A SER 83.A OG PRO 79.A O no hydrogen 3.371 N/A ALA 84.A N LEU 80.A O no hydrogen 2.857 N/A LEU 85.A N ALA 81.A O no hydrogen 2.925 N/A ALA 86.A N GLN 82.A O no hydrogen 2.791 N/A ALA 87.A N SER 83.A O no hydrogen 2.917 N/A GLY 88.A N LEU 85.A O no hydrogen 2.980 N/A LYS 89.A N ALA 84.A O no hydrogen 3.069 N/A LYS 89.A NZ LEU 59.A O no hydrogen 2.294 N/A LYS 89.A NZ PHE 60.A O no hydrogen 2.385 N/A LYS 89.A NZ ASP 62.A O no hydrogen 2.702 N/A HIS 90.A N ASP 66.A O no hydrogen 3.024 N/A VAL 91.A N LEU 117.A O no hydrogen 2.852 N/A VAL 92.A N ILE 68.A O no hydrogen 2.927 N/A VAL 93.A N SER 119.A O no hydrogen 2.851 N/A ASP 94.A N ILE 70.A O no hydrogen 2.998 N/A LYS 95.A N ASP 94.A OD1 no hydrogen 2.594 N/A LYS 95.A NZ PHE 121.A O no hydrogen 2.800 N/A ALA 104.A N THR 100.A O no hydrogen 3.061 N/A ASN 105.A N LEU 101.A O no hydrogen 2.988 N/A ASN 105.A ND2 LEU 101.A O no hydrogen 3.028 N/A ALA 106.A N SER 102.A O no hydrogen 3.229 N/A LEU 107.A N GLN 103.A O no hydrogen 3.035 N/A LYS 108.A N ALA 104.A O no hydrogen 2.957 N/A LYS 108.A NZ ASP 112.A OD2 no hydrogen 2.676 N/A GLU 109.A N ASN 105.A O no hydrogen 2.885 N/A HIS 110.A N ALA 106.A O no hydrogen 2.744 N/A HIS 110.A ND1 GLN 82.A OE1 no hydrogen 3.067 N/A ALA 111.A N LEU 107.A O no hydrogen 2.799 N/A ASP 112.A N GLU 109.A O no hydrogen 2.831 N/A ASP 113.A N GLU 109.A O no hydrogen 2.809 N/A ALA 114.A N HIS 110.A O no hydrogen 3.201 N/A LEU 116.A N ALA 111.A O no hydrogen 3.014 N/A LEU 117.A N HIS 90.A ND1 no hydrogen 2.847 N/A SER 119.A N VAL 91.A O no hydrogen 2.943 N/A SER 119.A OG TYR 297.A OH no hydrogen 2.906 N/A SER 119.A OG ASN 311.A OD1 no hydrogen 3.127 N/A SER 119.A OG VAL 313.A O no hydrogen 2.716 N/A VAL 120.A N VAL 313.A O no hydrogen 3.377 N/A PHE 121.A N VAL 93.A O no hydrogen 2.994 N/A HIS 122.A N VAL 120.A O no hydrogen 2.999 N/A ARG 124.A NH1 ASP 127.A OD2 no hydrogen 2.750 N/A ARG 125.A N HIS 122.A O no hydrogen 3.350 N/A ARG 125.A NE ASP 180.A OD2 no hydrogen 2.699 N/A ARG 125.A NH1 GLU 317.A OE1 no hydrogen 3.047 N/A ARG 125.A NH2 ASP 180.A OD1 no hydrogen 2.912 N/A ARG 125.A NH2 GLU 317.A OE1 no hydrogen 2.979 N/A TRP 126.A N ASN 123.A O no hydrogen 2.882 N/A ASP 127.A N ARG 124.A O no hydrogen 3.251 N/A SER 128.A N ASP 249.A OD1 no hydrogen 2.635 N/A SER 128.A OG ASP 269.A OD2 no hydrogen 2.769 N/A LEU 131.A N ASP 127.A O no hydrogen 3.052 N/A THR 132.A N SER 128.A O no hydrogen 3.140 N/A THR 132.A OG1 SER 128.A O no hydrogen 2.820 N/A LEU 133.A N ASP 129.A O no hydrogen 2.947 N/A LYS 134.A N PHE 130.A O no hydrogen 2.889 N/A THR 135.A N LEU 131.A O no hydrogen 3.167 N/A THR 135.A OG1 LEU 131.A O no hydrogen 3.174 N/A LEU 136.A N THR 132.A O no hydrogen 3.025 N/A LEU 137.A N LEU 133.A O no hydrogen 2.976 N/A ALA 138.A N LYS 134.A O no hydrogen 3.054 N/A GLU 139.A N THR 135.A O no hydrogen 3.204 N/A GLY 140.A N LEU 136.A O no hydrogen 3.233 N/A GLY 143.A N GLY 140.A O no hydrogen 3.018 N/A ASN 144.A N THR 239.A OG1 no hydrogen 3.091 N/A VAL 146.A N HIS 237.A O no hydrogen 2.931 N/A TYR 147.A N HIS 237.A O no hydrogen 3.332 N/A TYR 147.A OH GLU 149.A OE2 no hydrogen 2.557 N/A PHE 148.A N ARG 218.A O no hydrogen 2.873 N/A GLU 149.A N ILE 235.A O no hydrogen 2.828 N/A SER 150.A N VAL 220.A O no hydrogen 2.807 N/A HIS 151.A N ARG 233.A O no hydrogen 2.915 N/A HIS 151.A ND1 ASP 153.A OD2 no hydrogen 2.677 N/A HIS 151.A NE2 GLU 149.A OE1 no hydrogen 2.648 N/A PHE 152.A N HIS 222.A O no hydrogen 2.926 N/A ARG 154.A N THR 224.A O no hydrogen 2.754 N/A ARG 156.A N VAL 225.A O no hydrogen 2.904 N/A ARG 160.A N GLU 158.A O no hydrogen 3.009 N/A GLN 161.A NE2 GLU 158.A OE2 no hydrogen 3.266 N/A ILE 170.A N VAL 205.A O no hydrogen 3.119 N/A TRP 171.A NE1 ILE 324.A O no hydrogen 3.085 N/A LEU 174.A N ILE 170.A O no hydrogen 2.717 N/A LEU 178.A N LEU 174.A O no hydrogen 3.301 N/A LEU 179.A N GLY 175.A O no hydrogen 2.796 N/A ASP 180.A N PRO 176.A O no hydrogen 3.024 N/A GLN 181.A N HIS 177.A O no hydrogen 3.293 N/A ALA 182.A N LEU 178.A O no hydrogen 3.039 N/A LEU 183.A N LEU 179.A O no hydrogen 2.947 N/A GLN 184.A N ASP 180.A O no hydrogen 2.920 N/A LEU 185.A N GLN 181.A O no hydrogen 2.919 N/A PHE 186.A N ALA 182.A O no hydrogen 2.872 N/A GLY 187.A N LEU 183.A O no hydrogen 2.731 N/A GLU 190.A N SER 213.A O no hydrogen 2.646 N/A LEU 192.A N LEU 337.A O no hydrogen 2.769 N/A ASN 193.A N VAL 211.A O no hydrogen 2.903 N/A VAL 194.A N SER 330.A OG no hydrogen 2.822 N/A ASP 195.A N HIS 209.A O no hydrogen 3.040 N/A LEU 196.A N ASP 331.A OD1 no hydrogen 2.859 N/A GLY 197.A N TYR 207.A O no hydrogen 2.785 N/A LEU 198.A N ASP 206.A OD2 no hydrogen 2.948 N/A ARG 199.A N ASP 206.A OD2 no hydrogen 2.673 N/A ARG 199.A NE SER 202.A OG no hydrogen 2.655 N/A ARG 199.A NH1 ARG 156.A O no hydrogen 2.767 N/A ARG 199.A NH2 SER 202.A OG no hydrogen 3.077 N/A SER 202.A N ARG 199.A O no hydrogen 2.993 N/A SER 202.A OG ARG 199.A O no hydrogen 3.231 N/A SER 202.A OG ASP 206.A OD2 no hydrogen 2.674 N/A VAL 205.A N GLY 167.A O no hydrogen 3.435 N/A ASP 206.A N GLY 197.A O no hydrogen 2.898 N/A PHE 208.A N SER 223.A O no hydrogen 3.132 N/A HIS 209.A N ASP 195.A O no hydrogen 3.043 N/A ALA 210.A N LEU 221.A O no hydrogen 2.672 N/A VAL 211.A N ASN 193.A O no hydrogen 2.856 N/A LEU 212.A N VAL 219.A O no hydrogen 2.832 N/A SER 213.A N THR 191.A O no hydrogen 2.979 N/A TYR 214.A N GLN 217.A O no hydrogen 3.025 N/A TYR 214.A OH GLY 187.A O no hydrogen 2.810 N/A GLN 217.A N TYR 214.A O no hydrogen 2.948 N/A ARG 218.A N VAL 146.A O no hydrogen 2.994 N/A ARG 218.A NE GLN 217.A O no hydrogen 2.863 N/A VAL 219.A N LEU 212.A O no hydrogen 2.952 N/A VAL 220.A N PHE 148.A O no hydrogen 2.628 N/A LEU 221.A N ALA 210.A O no hydrogen 2.828 N/A HIS 222.A N SER 150.A O no hydrogen 2.909 N/A SER 223.A N PHE 208.A O no hydrogen 2.940 N/A SER 223.A OG PHE 152.A O no hydrogen 2.547 N/A LEU 226.A N THR 224.A OG1 no hydrogen 3.223 N/A ALA 227.A N ARG 154.A O no hydrogen 2.856 N/A THR 231.A OG1 ASP 153.A OD2 no hydrogen 2.601 N/A ARG 233.A N LYS 245.A O no hydrogen 2.646 N/A ARG 233.A NH1 SER 150.A OG no hydrogen 2.561 N/A ARG 233.A NH1 HIS 151.A O no hydrogen 2.936 N/A ARG 233.A NH1 ARG 233.A O no hydrogen 3.344 N/A TYR 234.A N LYS 245.A O no hydrogen 3.205 N/A TYR 234.A OH ASP 129.A OD1 no hydrogen 3.397 N/A ILE 235.A N GLU 149.A O no hydrogen 2.854 N/A VAL 236.A N TYR 243.A O no hydrogen 2.844 N/A HIS 237.A N TYR 147.A O no hydrogen 3.102 N/A HIS 237.A ND1 SER 242.A OG no hydrogen 2.806 N/A GLY 238.A N GLY 241.A O no hydrogen 2.635 N/A THR 239.A N ASN 144.A O no hydrogen 2.899 N/A GLN 240.A N LEU 142.A O no hydrogen 2.872 N/A SER 242.A N THR 275.A O no hydrogen 2.893 N/A SER 242.A OG HIS 237.A ND1 no hydrogen 2.806 N/A TYR 243.A N VAL 236.A O no hydrogen 2.851 N/A ILE 244.A N ILE 273.A O no hydrogen 3.269 N/A LYS 245.A N TYR 234.A O no hydrogen 2.973 N/A LYS 245.A NZ PHE 246.A O no hydrogen 2.776 N/A LYS 245.A NZ ASP 269.A OD2 no hydrogen 2.905 N/A GLN 251.A N ASP 249.A OD2 no hydrogen 2.749 N/A GLN 251.A NE2 TRP 126.A O no hydrogen 3.425 N/A GLN 251.A NE2 ASP 249.A OD1 no hydrogen 3.128 N/A GLN 251.A NE2 ASP 249.A OD2 no hydrogen 3.372 N/A ARG 254.A NE GLU 259.A OE1 no hydrogen 3.190 N/A ARG 254.A NE GLU 259.A OE2 no hydrogen 3.233 N/A ARG 254.A NH1 ASP 265.A O no hydrogen 3.037 N/A ARG 254.A NH2 GLU 259.A OE1 no hydrogen 3.067 N/A ARG 254.A NH2 ASP 265.A OD1 no hydrogen 2.946 N/A LEU 255.A N GLN 251.A O no hydrogen 2.915 N/A LYS 256.A N GLU 252.A O no hydrogen 2.886 N/A ALA 257.A N ASP 253.A O no hydrogen 2.868 N/A GLY 258.A N LEU 255.A O no hydrogen 2.746 N/A GLU 259.A N ARG 254.A O no hydrogen 3.123 N/A TRP 266.A N GLN 263.A O no hydrogen 3.017 N/A TRP 266.A NE1 GLN 251.A OE1 no hydrogen 2.890 N/A TYR 268.A N ASP 265.A O no hydrogen 3.290 N/A ARG 270.A NH1 GLU 230.A OE2 no hydrogen 2.841 N/A ILE 273.A N ILE 244.A O no hydrogen 3.034 N/A VAL 274.A N LYS 285.A O no hydrogen 2.718 N/A THR 275.A N SER 242.A O no hydrogen 2.940 N/A LEU 276.A N THR 283.A O no hydrogen 3.013 N/A SER 277.A N GLN 240.A O no hydrogen 2.975 N/A HIS 278.A N VAL 281.A O no hydrogen 3.046 N/A THR 283.A N LEU 276.A O no hydrogen 2.916 N/A LYS 285.A N VAL 274.A O no hydrogen 2.993 N/A LEU 287.A N GLY 272.A O no hydrogen 2.943 N/A THR 289.A N ASP 271.A OD1 no hydrogen 3.174 N/A THR 289.A OG1 ASP 271.A OD1 no hydrogen 2.912 N/A LEU 290.A N THR 132.A OG1 no hydrogen 2.808 N/A GLY 292.A N GLY 267.A O no hydrogen 2.899 N/A ASN 293.A N TRP 126.A O no hydrogen 2.770 N/A TYR 294.A N GLN 251.A OE1 no hydrogen 2.904 N/A TYR 294.A OH ASP 127.A OD1 no hydrogen 2.413 N/A ALA 296.A N ASN 293.A O no hydrogen 3.073 N/A TYR 297.A N TYR 294.A O no hydrogen 2.868 N/A TYR 297.A OH SER 119.A OG no hydrogen 2.906 N/A TYR 297.A OH VAL 120.A O no hydrogen 3.157 N/A TYR 298.A OH HIS 22.A ND1 no hydrogen 2.844 N/A ALA 299.A N PRO 295.A O no hydrogen 3.074 N/A GLY 300.A N ALA 296.A O no hydrogen 2.916 N/A ILE 301.A N TYR 297.A O no hydrogen 2.753 N/A ARG 302.A N TYR 298.A O no hydrogen 2.722 N/A ARG 302.A NE ASP 303.A OD1 no hydrogen 2.722 N/A ARG 302.A NH1 PRO 29.A O no hydrogen 2.783 N/A ARG 302.A NH2 ASP 303.A OD1 no hydrogen 3.171 N/A ARG 302.A NH2 ASP 303.A OD2 no hydrogen 3.228 N/A ASP 303.A N ALA 299.A O no hydrogen 3.069 N/A ALA 304.A N GLY 300.A O no hydrogen 2.953 N/A ILE 305.A N ILE 301.A O no hydrogen 2.937 N/A TRP 306.A N ARG 302.A O no hydrogen 3.219 N/A GLY 307.A N ALA 304.A O no hydrogen 2.834 N/A THR 308.A N ASP 303.A O no hydrogen 2.789 N/A THR 308.A OG1 ASP 303.A O no hydrogen 3.276 N/A ALA 309.A N ASP 303.A O no hydrogen 3.316 N/A ASN 311.A ND2 LEU 118.A O no hydrogen 2.886 N/A VAL 313.A N ASN 311.A OD1 no hydrogen 2.946 N/A GLU 317.A N PRO 314.A O no hydrogen 2.974 N/A ALA 318.A N PRO 314.A O no hydrogen 3.327 N/A ILE 319.A N ALA 315.A O no hydrogen 2.822 N/A LYS 320.A N THR 316.A O no hydrogen 3.246 N/A VAL 321.A N GLU 317.A O no hydrogen 3.259 N/A LEU 323.A N LYS 320.A O no hydrogen 3.203 N/A ILE 324.A N VAL 321.A O no hydrogen 2.977 N/A LEU 326.A N GLU 322.A O no hydrogen 2.882 N/A GLY 327.A N LEU 323.A O no hydrogen 2.812 N/A ILE 328.A N ILE 324.A O no hydrogen 3.321 N/A ALA 329.A N GLU 325.A O no hydrogen 2.983 N/A SER 330.A N LEU 326.A O no hydrogen 2.778 N/A SER 330.A OG LEU 192.A O no hydrogen 3.500 N/A SER 330.A OG LYS 335.A O no hydrogen 2.578 N/A ASP 331.A N GLY 327.A O no hydrogen 2.851 N/A GLN 332.A N ILE 328.A O no hydrogen 2.944 N/A GLN 333.A N ALA 329.A O no hydrogen 2.946 N/A LYS 334.A N ASP 331.A O no hydrogen 3.240 N/A LYS 334.A NZ ASP 195.A OD2 no hydrogen 3.331 N/A LYS 334.A NZ ASP 331.A OD1 no hydrogen 3.100 N/A LYS 335.A N SER 330.A O no hydrogen 3.051 N/A LEU 337.A N LEU 192.A O no hydrogen 2.975 N/A ILE 339.A N GLU 190.A O no hydrogen 3.107 N/A