Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kke_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 5.A N VAL 16.A O no hydrogen 2.959 N/A TYR 5.A OH TYR 20.A O no hydrogen 2.694 N/A SER 6.A OG THR 15.A OG1 no hydrogen 2.415 N/A VAL 7.A N PHE 14.A O no hydrogen 2.961 N/A VAL 9.A N SER 12.A O no hydrogen 2.795 N/A SER 12.A OG ASP 11.A O no hydrogen 3.333 N/A THR 13.A OG1 GLU 8.A OE1 no hydrogen 2.675 N/A THR 13.A OG1 GLU 8.A OE2 no hydrogen 2.504 N/A PHE 14.A N VAL 7.A O no hydrogen 2.735 N/A THR 15.A N TYR 99.A OH no hydrogen 2.990 N/A THR 15.A OG1 SER 6.A OG no hydrogen 2.415 N/A VAL 16.A N TYR 5.A O no hydrogen 2.995 N/A LYS 18.A N GLN 3.A O no hydrogen 3.079 N/A LYS 18.A NZ ASN 2.A O no hydrogen 2.656 N/A ARG 19.A NE ASP 39.A OD1 no hydrogen 2.991 N/A ARG 19.A NH2 ASP 39.A OD1 no hydrogen 3.536 N/A ARG 19.A NH2 ASP 39.A OD2 no hydrogen 2.958 N/A TYR 20.A N LEU 17.A O no hydrogen 3.082 N/A GLN 21.A N TYR 38.A O no hydrogen 2.718 N/A GLN 21.A NE2 LYS 18.A O no hydrogen 2.262 N/A LYS 24.A N ALA 36.A O no hydrogen 3.009 N/A ILE 26.A N VAL 34.A O no hydrogen 2.927 N/A GLY 27.A N VAL 34.A O no hydrogen 3.299 N/A GLY 29.A N GLY 32.A O no hydrogen 2.998 N/A GLY 32.A N GLY 29.A O no hydrogen 3.243 N/A VAL 34.A N GLY 27.A O no hydrogen 2.917 N/A CYS 35.A N ILE 48.A O no hydrogen 2.897 N/A ALA 36.A N LYS 24.A O no hydrogen 2.738 N/A ALA 37.A N VAL 46.A O no hydrogen 2.806 N/A TYR 38.A N GLN 21.A O no hydrogen 2.881 N/A TYR 38.A OH ASP 43.A OD1 no hydrogen 2.547 N/A ASP 39.A N ARG 44.A O no hydrogen 2.788 N/A ALA 40.A N ARG 19.A O no hydrogen 2.810 N/A VAL 41.A N ASP 39.A OD1 no hydrogen 3.032 N/A LEU 42.A N ASP 39.A OD1 no hydrogen 3.493 N/A ASP 43.A N ASP 39.A O no hydrogen 2.715 N/A ARG 44.A N ASP 39.A O no hydrogen 3.368 N/A VAL 46.A N ALA 37.A O no hydrogen 2.664 N/A ALA 47.A N MET 102.A O no hydrogen 2.658 N/A ILE 48.A N CYS 35.A O no hydrogen 2.719 N/A LYS 49.A N LEU 100.A O no hydrogen 2.715 N/A LYS 50.A NZ THR 13.A O no hydrogen 2.686 N/A LEU 51.A N VAL 98.A O no hydrogen 2.784 N/A ARG 53.A N GLN 96.A O no hydrogen 2.938 N/A ARG 53.A N ASP 97.A OD1 no hydrogen 3.280 N/A ARG 53.A NH1 GLN 96.A OE1 no hydrogen 2.711 N/A GLN 56.A N ARG 53.A O no hydrogen 3.095 N/A GLN 56.A NE2 SER 52.A O no hydrogen 3.066 N/A GLN 56.A NE2 ARG 53.A O no hydrogen 2.752 N/A GLN 58.A NE2 HIS 339.A O no hydrogen 2.908 N/A HIS 60.A N ASN 57.A OD1 no hydrogen 2.902 N/A ALA 61.A N ASN 57.A O no hydrogen 2.754 N/A LYS 62.A N GLN 58.A O no hydrogen 2.835 N/A LYS 62.A NZ ARG 337.A O no hydrogen 3.201 N/A ARG 63.A N THR 59.A O no hydrogen 3.078 N/A ARG 63.A NE GLN 31.A OE1 no hydrogen 3.064 N/A ARG 63.A NH2 GLN 31.A OE1 no hydrogen 2.742 N/A ALA 64.A N HIS 60.A O no hydrogen 2.910 N/A TYR 65.A N ALA 61.A O no hydrogen 3.037 N/A TYR 65.A OH ASP 331.A OD1 no hydrogen 2.860 N/A ARG 66.A N LYS 62.A O no hydrogen 2.998 N/A ARG 66.A NE ASP 335.A OD2 no hydrogen 3.533 N/A ARG 66.A NH1 PHE 164.A O no hydrogen 3.272 N/A ARG 66.A NH2 PHE 164.A O no hydrogen 3.476 N/A GLU 67.A N ARG 63.A O no hydrogen 2.772 N/A LEU 68.A N ALA 64.A O no hydrogen 2.977 N/A VAL 69.A N TYR 65.A O no hydrogen 3.092 N/A LEU 70.A N ARG 66.A O no hydrogen 3.028 N/A MET 71.A N GLU 67.A O no hydrogen 2.870 N/A LYS 72.A N LEU 68.A O no hydrogen 3.181 N/A LYS 72.A NZ GLU 351.A O no hydrogen 2.617 N/A LYS 72.A NZ ASN 354.A OD1 no hydrogen 2.910 N/A CYS 73.A N VAL 69.A O no hydrogen 3.135 N/A CYS 73.A SG VAL 69.A O no hydrogen 3.550 N/A CYS 73.A SG LEU 70.A O no hydrogen 3.734 N/A VAL 74.A N LEU 70.A O no hydrogen 2.894 N/A HIS 76.A NE2 GLU 321.A O no hydrogen 2.908 N/A LYS 77.A NZ GLU 321.A OE2 no hydrogen 2.839 N/A ASN 78.A N HIS 76.A ND1 no hydrogen 3.151 N/A ASN 78.A ND2 GLN 128.A OE1 no hydrogen 3.217 N/A ASN 78.A ND2 LEU 159.A O no hydrogen 3.235 N/A ILE 79.A N HIS 76.A O no hydrogen 2.980 N/A ILE 80.A N ILE 161.A O no hydrogen 2.987 N/A SER 81.A N GLU 103.A OE2 no hydrogen 2.935 N/A SER 81.A OG GLU 103.A OE2 no hydrogen 2.481 N/A LEU 83.A N VAL 101.A O no hydrogen 2.688 N/A ASN 84.A N VAL 101.A O no hydrogen 3.327 N/A ASN 84.A ND2 TYR 20.A OH no hydrogen 2.722 N/A PHE 86.A N TYR 99.A O no hydrogen 3.149 N/A THR 87.A OG1 ASP 97.A O no hydrogen 2.833 N/A GLN 89.A N THR 87.A OG1 no hydrogen 3.238 N/A THR 91.A OG1 GLU 94.A OE1 no hydrogen 2.512 N/A GLU 94.A N THR 91.A O no hydrogen 3.130 N/A GLU 94.A N THR 91.A OG1 no hydrogen 3.152 N/A PHE 95.A N LEU 92.A O no hydrogen 3.070 N/A GLN 96.A N GLN 89.A OE1 no hydrogen 3.006 N/A ASP 97.A N GLN 89.A OE1 no hydrogen 3.010 N/A VAL 98.A N LEU 51.A O no hydrogen 3.073 N/A TYR 99.A N PHE 86.A O no hydrogen 2.796 N/A LEU 100.A N LYS 49.A O no hydrogen 2.817 N/A VAL 101.A N ASN 84.A O no hydrogen 2.837 N/A MET 102.A N ALA 47.A O no hydrogen 2.699 N/A ASP 106.A N VAL 153.A O no hydrogen 3.034 N/A ALA 107.A N VAL 153.A O no hydrogen 3.150 N/A ASN 108.A N GLN 111.A OE1 no hydrogen 2.941 N/A LEU 109.A N PRO 148.A O no hydrogen 3.059 N/A LEU 109.A N ILE 151.A O no hydrogen 2.850 N/A GLN 111.A N ASN 108.A O no hydrogen 3.207 N/A GLN 111.A N ASN 108.A OD1 no hydrogen 3.364 N/A ILE 113.A N LEU 109.A O no hydrogen 2.891 N/A MET 115.A N VAL 112.A O no hydrogen 3.096 N/A HIS 119.A ND1 TYR 312.A OH no hydrogen 2.928 N/A HIS 119.A NE2 PRO 273.A O no hydrogen 3.187 N/A ARG 121.A N ASP 118.A OD2 no hydrogen 2.883 N/A ARG 121.A NH1 ASP 118.A OD1 no hydrogen 2.867 N/A MET 122.A N ASP 118.A O no hydrogen 3.158 N/A SER 123.A N HIS 119.A O no hydrogen 2.928 N/A SER 123.A OG HIS 119.A O no hydrogen 2.874 N/A SER 123.A OG GLU 120.A O no hydrogen 3.260 N/A TYR 124.A N GLU 120.A O no hydrogen 3.029 N/A LEU 125.A N ARG 121.A O no hydrogen 2.839 N/A LEU 126.A N MET 122.A O no hydrogen 3.084 N/A TYR 127.A N SER 123.A O no hydrogen 2.882 N/A TYR 127.A OH GLU 321.A OE1 no hydrogen 2.767 N/A GLN 128.A N TYR 124.A O no hydrogen 3.013 N/A GLN 128.A NE2 TYR 124.A O no hydrogen 3.362 N/A GLN 128.A NE2 CYS 157.A O no hydrogen 2.800 N/A MET 129.A N LEU 125.A O no hydrogen 2.992 N/A LEU 130.A N LEU 126.A O no hydrogen 2.990 N/A CYS 131.A N TYR 127.A O no hydrogen 3.052 N/A CYS 131.A SG TYR 127.A O no hydrogen 3.273 N/A GLY 132.A N GLN 128.A O no hydrogen 2.981 N/A ILE 133.A N MET 129.A O no hydrogen 2.945 N/A LYS 134.A N LEU 130.A O no hydrogen 2.822 N/A LYS 134.A NZ ASP 305.A OD1 no hydrogen 2.794 N/A HIS 135.A N CYS 131.A O no hydrogen 2.970 N/A LEU 136.A N GLY 132.A O no hydrogen 3.025 N/A HIS 137.A N ILE 133.A O no hydrogen 2.924 N/A HIS 137.A NE2 ASP 199.A OD2 no hydrogen 2.744 N/A SER 138.A N LYS 134.A O no hydrogen 2.905 N/A SER 138.A OG HIS 135.A O no hydrogen 2.601 N/A ALA 139.A N LEU 136.A O no hydrogen 2.859 N/A GLY 140.A N HIS 137.A O no hydrogen 3.059 N/A ILE 141.A N LEU 136.A O no hydrogen 2.868 N/A HIS 143.A N ASP 199.A OD2 no hydrogen 3.058 N/A HIS 143.A NE2 ASP 163.A OD1 no hydrogen 2.744 N/A ARG 144.A N ASP 199.A OD1 no hydrogen 2.649 N/A ASP 145.A N HIS 143.A ND1 no hydrogen 3.129 N/A LYS 147.A NZ ASP 145.A OD1 no hydrogen 3.072 N/A LYS 147.A NZ ASP 145.A OD2 no hydrogen 2.867 N/A LYS 147.A NZ THR 180.A O no hydrogen 3.043 N/A ASN 150.A N LYS 147.A O no hydrogen 3.090 N/A ILE 151.A N PRO 148.A O no hydrogen 3.280 N/A VAL 152.A N LYS 160.A O no hydrogen 2.790 N/A VAL 153.A N ALA 107.A O no hydrogen 2.767 N/A LYS 154.A N THR 158.A O no hydrogen 2.865 N/A LYS 154.A NZ THR 158.A OG1 no hydrogen 3.072 N/A SER 155.A N ASP 106.A OD2 no hydrogen 2.704 N/A CYS 157.A N LYS 154.A O no hydrogen 2.951 N/A CYS 157.A SG ARG 121.A O no hydrogen 3.796 N/A THR 158.A N ASP 156.A OD1 no hydrogen 3.094 N/A THR 158.A OG1 ASP 156.A OD1 no hydrogen 2.596 N/A LEU 159.A N GLN 128.A OE1 no hydrogen 2.942 N/A LYS 160.A N VAL 152.A O no hydrogen 2.706 N/A LYS 160.A NZ LYS 77.A O no hydrogen 2.714 N/A ILE 161.A N ASN 78.A O no hydrogen 2.945 N/A LEU 162.A N ASN 150.A O no hydrogen 2.881 N/A PHE 164.A N GLU 67.A OE2 no hydrogen 3.188 N/A LEU 166.A N HIS 143.A O no hydrogen 2.964 N/A ARG 168.A N ASP 335.A OD1 no hydrogen 3.441 N/A TYR 177.A N THR 175.A OG1 no hydrogen 2.681 N/A ARG 181.A NH2 ARG 220.A O no hydrogen 3.048 N/A TYR 183.A OH GLU 209.A OE1 no hydrogen 2.516 N/A TYR 183.A OH GLU 209.A OE2 no hydrogen 3.387 N/A ARG 184.A N ARG 181.A O no hydrogen 3.042 N/A GLU 187.A N GLU 187.A OE1 no hydrogen 2.955 N/A ILE 189.A N ALA 185.A O no hydrogen 2.849 N/A LEU 190.A N PRO 186.A O no hydrogen 2.754 N/A GLY 191.A N VAL 188.A O no hydrogen 2.994 N/A MET 192.A N GLU 187.A O no hydrogen 2.891 N/A ASN 197.A ND2 PRO 298.A O no hydrogen 2.760 N/A ASN 197.A ND2 ARG 301.A O no hydrogen 3.033 N/A VAL 198.A N LYS 195.A O no hydrogen 3.180 N/A ASP 199.A N GLU 196.A O no hydrogen 3.279 N/A ILE 200.A N ASN 197.A O no hydrogen 3.124 N/A SER 202.A OG TYR 183.A O no hydrogen 2.539 N/A VAL 203.A N ASP 199.A O no hydrogen 3.229 N/A GLY 204.A N ILE 200.A O no hydrogen 2.947 N/A CYS 205.A N TRP 201.A O no hydrogen 2.992 N/A CYS 205.A SG TRP 201.A O no hydrogen 3.370 N/A ILE 206.A N SER 202.A O no hydrogen 2.926 N/A MET 207.A N VAL 203.A O no hydrogen 2.703 N/A GLY 208.A N GLY 204.A O no hydrogen 2.784 N/A GLU 209.A N CYS 205.A O no hydrogen 3.081 N/A MET 210.A N ILE 206.A O no hydrogen 2.747 N/A VAL 211.A N MET 207.A O no hydrogen 3.099 N/A ARG 212.A N GLY 208.A O no hydrogen 2.771 N/A ARG 212.A NH1 GLN 232.A OE1 no hydrogen 2.833 N/A ARG 212.A NH2 GLN 232.A OE1 no hydrogen 3.239 N/A ARG 212.A NH2 LEU 266.A O no hydrogen 2.994 N/A HIS 213.A ND1 ILE 113.A O no hydrogen 2.886 N/A ARG 220.A NE ASP 224.A OD2 no hydrogen 2.983 N/A ARG 220.A NH2 ASP 224.A OD2 no hydrogen 2.862 N/A ILE 223.A N ASP 221.A OD1 no hydrogen 3.124 N/A GLN 225.A N ASP 221.A O no hydrogen 2.965 N/A GLN 225.A NE2 ARG 181.A O no hydrogen 2.806 N/A TRP 226.A N TYR 222.A O no hydrogen 3.102 N/A ASN 227.A N ILE 223.A O no hydrogen 2.973 N/A LYS 228.A N ASP 224.A O no hydrogen 2.816 N/A VAL 229.A N GLN 225.A O no hydrogen 3.043 N/A ILE 230.A N TRP 226.A O no hydrogen 3.084 N/A GLU 231.A N ASN 227.A O no hydrogen 2.859 N/A GLN 232.A N VAL 229.A O no hydrogen 3.318 N/A GLN 232.A NE2 LEU 216.A O no hydrogen 2.939 N/A GLN 232.A NE2 LYS 228.A O no hydrogen 3.676 N/A LEU 233.A N VAL 229.A O no hydrogen 2.886 N/A THR 235.A N TYR 258.A O no hydrogen 2.672 N/A THR 235.A OG1 TYR 258.A O no hydrogen 3.114 N/A LYS 242.A N PRO 238.A O no hydrogen 3.085 N/A LYS 243.A N PHE 240.A O no hydrogen 2.863 N/A LYS 243.A NZ ASP 297.A OD1 no hydrogen 3.151 N/A LEU 244.A N MET 241.A O no hydrogen 3.166 N/A ARG 249.A N GLN 245.A O no hydrogen 2.607 N/A ARG 249.A NH1 MET 241.A O no hydrogen 3.400 N/A ASN 250.A N PRO 246.A O no hydrogen 3.005 N/A TYR 251.A N THR 247.A O no hydrogen 3.462 N/A VAL 252.A N VAL 248.A O no hydrogen 2.861 N/A GLU 253.A N ARG 249.A O no hydrogen 3.050 N/A ASN 254.A N ASN 250.A O no hydrogen 3.340 N/A ASN 254.A ND2 ASN 250.A O no hydrogen 2.701 N/A ARG 255.A N VAL 252.A O no hydrogen 3.291 N/A ARG 255.A NE TYR 251.A OH no hydrogen 2.654 N/A ARG 255.A NH2 TYR 251.A OH no hydrogen 3.065 N/A TYR 258.A N THR 235.A OG1 no hydrogen 2.971 N/A LEU 261.A N GLN 232.A O no hydrogen 3.026 N/A LEU 266.A N THR 262.A O no hydrogen 2.634 N/A PHE 267.A N PHE 263.A O no hydrogen 2.639 N/A LEU 271.A N PRO 268.A O no hydrogen 3.161 N/A PHE 272.A N ASP 269.A O no hydrogen 2.861 N/A ASP 275.A N ASP 275.A OD1 no hydrogen 2.483 N/A SER 276.A N ASP 275.A OD1 no hydrogen 2.913 N/A HIS 278.A ND1 ASN 279.A OD1 no hydrogen 3.175 N/A ASN 279.A N SER 276.A OG no hydrogen 3.186 N/A ASN 279.A ND2 ASP 275.A OD1 no hydrogen 2.916 N/A LYS 280.A N SER 276.A O no hydrogen 2.942 N/A LYS 280.A NZ ALA 274.A O no hydrogen 3.397 N/A LEU 281.A N GLU 277.A O no hydrogen 2.947 N/A LYS 282.A N HIS 278.A O no hydrogen 2.943 N/A LYS 282.A NZ GLN 285.A OE1 no hydrogen 3.019 N/A ALA 283.A N ASN 279.A O no hydrogen 2.878 N/A SER 284.A N LYS 280.A O no hydrogen 3.187 N/A GLN 285.A N LEU 281.A O no hydrogen 2.990 N/A ALA 286.A N LYS 282.A O no hydrogen 2.875 N/A ARG 287.A N ALA 283.A O no hydrogen 3.068 N/A ARG 287.A NE PHE 267.A O no hydrogen 3.071 N/A ARG 287.A NH2 PHE 267.A O no hydrogen 3.298 N/A ARG 287.A NH2 ASP 269.A OD1 no hydrogen 2.945 N/A ASP 288.A N SER 284.A O no hydrogen 3.009 N/A LEU 289.A N GLN 285.A O no hydrogen 3.027 N/A LEU 290.A N ALA 286.A O no hydrogen 2.940 N/A SER 291.A N ARG 287.A O no hydrogen 3.010 N/A SER 291.A OG ASP 288.A O no hydrogen 2.853 N/A LYS 292.A N LEU 289.A O no hydrogen 3.065 N/A LYS 292.A NZ ASP 288.A OD2 no hydrogen 2.769 N/A MET 293.A N LEU 290.A O no hydrogen 3.007 N/A LEU 294.A N LEU 290.A O no hydrogen 2.839 N/A ALA 299.A N ASP 297.A OD1 no hydrogen 3.111 N/A LYS 300.A N ASP 297.A O no hydrogen 3.208 N/A ARG 301.A NE VAL 295.A O no hydrogen 2.815 N/A ARG 301.A NH1 GLU 187.A OE1 no hydrogen 3.442 N/A ARG 301.A NH1 GLU 187.A OE2 no hydrogen 2.875 N/A ARG 301.A NH1 ASN 197.A O no hydrogen 3.044 N/A ARG 301.A NH2 GLU 187.A OE1 no hydrogen 2.843 N/A ARG 301.A NH2 VAL 295.A O no hydrogen 3.162 N/A ILE 302.A N LYS 292.A O no hydrogen 2.929 N/A ASP 306.A N SER 303.A OG no hydrogen 3.221 N/A ALA 307.A N SER 303.A O no hydrogen 2.912 N/A LEU 308.A N VAL 304.A O no hydrogen 2.931 N/A GLN 309.A N ASP 305.A O no hydrogen 3.214 N/A GLN 309.A N ASP 306.A O no hydrogen 3.157 N/A HIS 310.A N ALA 307.A O no hydrogen 3.223 N/A HIS 310.A NE2 GLN 285.A O no hydrogen 3.128 N/A TYR 312.A OH HIS 119.A ND1 no hydrogen 2.928 N/A ILE 313.A N HIS 310.A O no hydrogen 2.780 N/A ASN 314.A N HIS 310.A O no hydrogen 2.704 N/A ASN 314.A ND2 GLN 309.A O no hydrogen 2.878 N/A TRP 316.A N ILE 313.A O no hydrogen 3.110 N/A TRP 316.A NE1 SER 123.A OG no hydrogen 2.844 N/A TYR 317.A N ASN 314.A O no hydrogen 3.168 N/A TYR 317.A OH GLU 323.A OE2 no hydrogen 2.592 N/A ALA 320.A N ASP 318.A OD1 no hydrogen 2.795 N/A VAL 322.A N ASP 318.A O no hydrogen 3.037 N/A GLN 333.A N ASP 331.A OD2 no hydrogen 2.721 N/A HIS 339.A N GLN 58.A OE1 no hydrogen 3.082 N/A HIS 339.A ND1 GLU 343.A OE1 no hydrogen 3.075 N/A THR 340.A N GLU 343.A OE1 no hydrogen 3.028 N/A GLU 343.A N THR 340.A OG1 no hydrogen 3.217 N/A TRP 344.A N THR 340.A O no hydrogen 2.891 N/A TRP 344.A NE1 GLN 58.A OE1 no hydrogen 2.741 N/A LYS 345.A N ILE 341.A O no hydrogen 2.933 N/A LYS 345.A NZ PHE 95.A O no hydrogen 3.569 N/A GLU 346.A N GLU 342.A O no hydrogen 3.475 N/A LEU 347.A N GLU 343.A O no hydrogen 2.976 N/A ILE 348.A N TRP 344.A O no hydrogen 2.846 N/A TYR 349.A N LYS 345.A O no hydrogen 2.894 N/A LYS 350.A N GLU 346.A O no hydrogen 2.877 N/A GLU 351.A N LEU 347.A O no hydrogen 3.105 N/A VAL 352.A N ILE 348.A O no hydrogen 2.931 N/A MET 353.A N TYR 349.A O no hydrogen 2.886 N/A ASN 354.A N GLU 351.A O no hydrogen 3.228 N/A