Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kxh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N ASP 201.A OD2 no hydrogen 3.070 N/A SER 1.A OG HIS 302.A NE2 no hydrogen 2.661 N/A SER 1.A OG GLN 303.A OE1 no hydrogen 2.962 N/A ALA 3.A N TYR 175.A OH no hydrogen 2.893 N/A ARG 4.A NH1 GLN 303.A O no hydrogen 2.890 N/A TYR 6.A OH ASP 138.A OD1 no hydrogen 2.517 N/A ASN 10.A ND2 GLY 144.A O no hydrogen 3.018 N/A ASN 10.A ND2 TYR 175.A O no hydrogen 2.815 N/A LEU 12.A N ASP 8.A O no hydrogen 3.391 N/A ARG 13.A N ASN 10.A O no hydrogen 3.223 N/A ARG 13.A NH1 GLN 143.A OE1 no hydrogen 2.870 N/A ARG 13.A NH2 GLN 143.A OE1 no hydrogen 2.853 N/A LYS 15.A NZ ASP 19.A OD2 no hydrogen 2.344 N/A GLU 16.A N GLU 16.A OE2 no hydrogen 2.784 N/A TYR 17.A N PRO 14.A O no hydrogen 3.019 N/A TYR 17.A OH GLN 143.A O no hydrogen 2.767 N/A TRP 18.A N LYS 15.A O no hydrogen 3.222 N/A ASP 19.A N LYS 15.A O no hydrogen 2.961 N/A TYR 20.A N TRP 18.A O no hydrogen 3.021 N/A ALA 22.A N ASP 19.A O no hydrogen 3.093 N/A LEU 23.A N TYR 20.A O no hydrogen 2.986 N/A GLY 28.A N ILE 93.A O no hydrogen 2.819 N/A ASP 31.A N GLU 29.A OE2 no hydrogen 2.978 N/A ASP 32.A N GLU 29.A O no hydrogen 2.941 N/A TYR 33.A N GLN 30.A O no hydrogen 3.336 N/A TYR 33.A OH ASP 92.A OD2 no hydrogen 2.438 N/A GLU 34.A N ILE 51.A O no hydrogen 2.897 N/A VAL 36.A N GLU 49.A O no hydrogen 2.825 N/A ARG 37.A N GLU 49.A O no hydrogen 3.425 N/A ARG 37.A NE GLU 49.A OE1 no hydrogen 2.894 N/A ARG 37.A NH2 GLU 49.A OE1 no hydrogen 3.286 N/A LYS 38.A NZ GLU 46.A OE2 no hydrogen 2.789 N/A VAL 39.A N VAL 47.A O no hydrogen 2.698 N/A GLY 40.A N VAL 47.A O no hydrogen 3.033 N/A ARG 41.A NH1 ARG 41.A O no hydrogen 3.152 N/A GLY 42.A N SER 45.A O no hydrogen 3.005 N/A SER 45.A N GLY 42.A O no hydrogen 3.406 N/A GLU 46.A N ILE 63.A O no hydrogen 3.086 N/A VAL 47.A N GLY 40.A O no hydrogen 2.878 N/A PHE 48.A N ILE 61.A O no hydrogen 2.847 N/A GLU 49.A N ARG 37.A O no hydrogen 2.861 N/A GLY 50.A N CYS 59.A O no hydrogen 2.805 N/A ILE 51.A N GLU 34.A O no hydrogen 2.885 N/A ASN 52.A N GLU 57.A O no hydrogen 2.927 N/A VAL 53.A N ASP 32.A O no hydrogen 2.883 N/A ASN 54.A N ASN 52.A OD1 no hydrogen 2.884 N/A GLU 57.A N ASN 55.A OD1 no hydrogen 3.147 N/A CYS 59.A N GLY 50.A O no hydrogen 3.014 N/A ILE 60.A N PHE 106.A O no hydrogen 2.976 N/A ILE 61.A N PHE 48.A O no hydrogen 2.793 N/A LYS 62.A N LEU 104.A O no hydrogen 2.839 N/A LYS 62.A NZ GLU 75.A OE2 no hydrogen 2.748 N/A ILE 63.A N GLU 46.A O no hydrogen 2.877 N/A LEU 64.A N PRO 102.A O no hydrogen 3.046 N/A LYS 65.A N TYR 44.A O no hydrogen 3.026 N/A LYS 65.A NZ GLY 42.A O no hydrogen 3.213 N/A LYS 65.A NZ LYS 43.A O no hydrogen 3.461 N/A LYS 71.A NZ GLY 170.A O no hydrogen 2.807 N/A ILE 72.A N LYS 68.A O no hydrogen 3.166 N/A LYS 73.A N LYS 69.A O no hydrogen 2.952 N/A LYS 73.A NZ GLU 21.A O no hydrogen 3.200 N/A LYS 73.A NZ LEU 23.A O no hydrogen 2.805 N/A ARG 74.A N LYS 70.A O no hydrogen 3.178 N/A ARG 74.A N LYS 71.A O no hydrogen 3.186 N/A ARG 74.A NH1 GLU 173.A OE2 no hydrogen 3.043 N/A GLU 75.A N LYS 71.A O no hydrogen 3.189 N/A ILE 76.A N ILE 72.A O no hydrogen 3.028 N/A LYS 77.A N LYS 73.A O no hydrogen 2.956 N/A LYS 77.A NZ GLU 16.A O no hydrogen 3.369 N/A ILE 78.A N ARG 74.A O no hydrogen 3.131 N/A LEU 79.A N GLU 75.A O no hydrogen 3.053 N/A GLN 80.A N ILE 76.A O no hydrogen 2.865 N/A ASN 81.A N LYS 77.A O no hydrogen 2.838 N/A ASN 81.A ND2 TYR 17.A O no hydrogen 2.794 N/A LEU 82.A N ILE 78.A O no hydrogen 2.985 N/A GLY 84.A N LEU 82.A O no hydrogen 2.994 N/A ASN 86.A ND2 GLU 132.A O no hydrogen 2.995 N/A ASN 86.A ND2 GLU 132.A OE1 no hydrogen 2.905 N/A ILE 87.A N GLY 84.A O no hydrogen 3.324 N/A VAL 88.A N LEU 166.A O no hydrogen 3.293 N/A LYS 89.A N GLU 107.A OE2 no hydrogen 2.966 N/A LEU 91.A N ILE 105.A O no hydrogen 2.715 N/A ASP 92.A N ILE 105.A O no hydrogen 3.377 N/A ILE 93.A N ASP 92.A OD1 no hydrogen 3.002 N/A VAL 94.A N SER 103.A O no hydrogen 2.943 N/A ASP 96.A N THR 101.A O no hydrogen 2.953 N/A SER 99.A N ASP 96.A OD2 no hydrogen 2.739 N/A SER 99.A OG ASP 96.A OD2 no hydrogen 2.402 N/A SER 99.A OG THR 101.A OG1 no hydrogen 2.910 N/A LYS 100.A N ASP 96.A O no hydrogen 2.928 N/A LYS 100.A NZ GLN 97.A O no hydrogen 2.961 N/A THR 101.A N SER 99.A OG no hydrogen 3.293 N/A THR 101.A OG1 SER 99.A OG no hydrogen 2.910 N/A SER 103.A N VAL 94.A O no hydrogen 2.795 N/A LEU 104.A N LYS 62.A O no hydrogen 2.939 N/A ILE 105.A N ASP 92.A O no hydrogen 2.941 N/A PHE 106.A N ILE 60.A O no hydrogen 2.848 N/A GLU 107.A N LYS 89.A O no hydrogen 3.125 N/A THR 112.A N ILE 157.A O no hydrogen 3.273 N/A LYS 115.A N ASP 113.A OD1 no hydrogen 3.200 N/A VAL 116.A N ASP 113.A O no hydrogen 2.936 N/A LEU 117.A N ASP 113.A O no hydrogen 2.891 N/A TYR 118.A N PHE 114.A O no hydrogen 2.884 N/A THR 120.A N LEU 117.A O no hydrogen 2.933 N/A THR 120.A OG1 LEU 117.A O no hydrogen 2.864 N/A LEU 121.A N TYR 118.A O no hydrogen 3.076 N/A THR 122.A N ASP 125.A OD2 no hydrogen 3.397 N/A ASP 125.A N THR 122.A OG1 no hydrogen 2.973 N/A ILE 126.A N THR 122.A O no hydrogen 3.187 N/A ILE 126.A N ASP 123.A O no hydrogen 3.095 N/A ARG 127.A N ASP 123.A O no hydrogen 3.057 N/A ARG 127.A NE ASP 123.A OD1 no hydrogen 3.048 N/A ARG 127.A NE ASP 123.A OD2 no hydrogen 3.367 N/A ARG 127.A NH1 TYR 316.A O no hydrogen 2.775 N/A ARG 127.A NH2 ASP 123.A OD1 no hydrogen 3.484 N/A ARG 127.A NH2 ASP 123.A OD2 no hydrogen 3.081 N/A TYR 128.A N TYR 124.A O no hydrogen 2.824 N/A TYR 128.A OH ARG 162.A O no hydrogen 2.841 N/A TYR 129.A N ASP 125.A O no hydrogen 2.811 N/A ILE 130.A N ILE 126.A O no hydrogen 2.958 N/A TYR 131.A N ARG 127.A O no hydrogen 2.854 N/A GLU 132.A N TYR 128.A O no hydrogen 2.871 N/A LEU 133.A N TYR 129.A O no hydrogen 2.982 N/A LEU 134.A N ILE 130.A O no hydrogen 2.907 N/A LYS 135.A N TYR 131.A O no hydrogen 2.969 N/A LYS 135.A NZ GLU 132.A OE2 no hydrogen 2.706 N/A LYS 135.A NZ GLU 324.A OE1 no hydrogen 2.831 N/A ALA 136.A N GLU 132.A O no hydrogen 3.332 N/A LEU 137.A N LEU 133.A O no hydrogen 3.042 N/A ASP 138.A N LEU 134.A O no hydrogen 2.730 N/A TYR 139.A N LYS 135.A O no hydrogen 2.966 N/A CYS 140.A N ALA 136.A O no hydrogen 2.797 N/A CYS 140.A SG ALA 136.A O no hydrogen 3.771 N/A CYS 140.A SG LEU 137.A O no hydrogen 3.535 N/A CYS 140.A SG ILE 145.A O no hydrogen 3.729 N/A HIS 141.A N LEU 137.A O no hydrogen 2.828 N/A HIS 141.A NE2 ASP 207.A OD2 no hydrogen 2.845 N/A SER 142.A N ASP 138.A O no hydrogen 2.676 N/A SER 142.A OG TYR 139.A O no hydrogen 2.715 N/A GLN 143.A N TYR 139.A O no hydrogen 2.934 N/A GLN 143.A N CYS 140.A O no hydrogen 3.011 N/A GLN 143.A NE2 SER 142.A OG no hydrogen 3.033 N/A GLY 144.A N HIS 141.A O no hydrogen 2.905 N/A ILE 145.A N CYS 140.A O no hydrogen 3.069 N/A MET 146.A N GLU 173.A O no hydrogen 2.955 N/A HIS 147.A N ASP 207.A OD2 no hydrogen 2.941 N/A HIS 147.A NE2 ILE 167.A O no hydrogen 2.913 N/A ARG 148.A N ASP 207.A OD1 no hydrogen 2.908 N/A ARG 148.A NE LEU 171.A O no hydrogen 2.711 N/A ARG 148.A NH2 LEU 171.A O no hydrogen 2.927 N/A ASP 149.A N HIS 147.A ND1 no hydrogen 2.976 N/A LYS 151.A NZ SER 187.A OG no hydrogen 2.756 N/A HIS 153.A N HIS 153.A ND1 no hydrogen 2.732 N/A ASN 154.A N LYS 151.A O no hydrogen 2.891 N/A ASN 154.A ND2 ASP 149.A O no hydrogen 2.886 N/A VAL 155.A N PRO 152.A O no hydrogen 3.074 N/A MET 156.A N ARG 165.A O no hydrogen 2.970 N/A ILE 157.A N ASN 111.A OD1 no hydrogen 2.960 N/A ASP 158.A N LYS 163.A O no hydrogen 2.996 N/A LEU 161.A N ASP 158.A OD1 no hydrogen 3.311 N/A ARG 162.A N HIS 159.A O no hydrogen 3.323 N/A ARG 162.A NH1 ASP 125.A OD1 no hydrogen 2.895 N/A ARG 162.A NH2 ASP 125.A OD1 no hydrogen 2.692 N/A LYS 163.A N ASP 158.A O no hydrogen 3.044 N/A ARG 165.A N MET 156.A O no hydrogen 2.921 N/A ARG 165.A NE GLU 107.A OE1 no hydrogen 3.100 N/A ARG 165.A NE GLU 107.A OE2 no hydrogen 3.094 N/A ARG 165.A NH1 LEU 164.A O no hydrogen 3.011 N/A LEU 166.A N ASN 86.A O no hydrogen 2.952 N/A ILE 167.A N ASN 154.A O no hydrogen 3.003 N/A TRP 169.A NE1 LEU 166.A O no hydrogen 2.926 N/A GLY 170.A N ASP 168.A OD1 no hydrogen 3.349 N/A ALA 172.A N TRP 169.A O no hydrogen 3.128 N/A GLU 173.A N MET 146.A O no hydrogen 3.056 N/A PHE 174.A N GLU 173.A OE1 no hydrogen 2.757 N/A TYR 175.A N GLY 144.A O no hydrogen 2.938 N/A HIS 176.A N TYR 181.A OH no hydrogen 2.905 N/A LYS 179.A N HIS 176.A O no hydrogen 3.059 N/A TYR 181.A N GLN 200.A O no hydrogen 2.747 N/A TYR 181.A OH PHE 174.A O no hydrogen 2.639 N/A ARG 184.A N ASN 182.A OD1 no hydrogen 2.689 N/A SER 187.A OG ASP 149.A OD1 no hydrogen 2.763 N/A ARG 188.A NE.A ASN 231.A OD1 no hydrogen 2.466 N/A ARG 188.A NE.B GLY 228.A O no hydrogen 2.550 N/A ARG 188.A NH2.A ASN 231.A OD1 no hydrogen 3.063 N/A ARG 188.A NH2.B GLY 228.A O no hydrogen 3.511 N/A PHE 190.A N SER 187.A O no hydrogen 2.850 N/A LYS 191.A N ARG 188.A O no hydrogen 3.088 N/A LYS 191.A NZ VAL 185.A O no hydrogen 2.892 N/A GLU 194.A N GLU 194.A OE1 no hydrogen 2.775 N/A LEU 195.A N GLY 192.A O no hydrogen 2.887 N/A LEU 196.A N GLY 192.A O no hydrogen 3.249 N/A LEU 199.A N GLU 194.A O no hydrogen 2.782 N/A GLN 200.A NE2 TYR 181.A O no hydrogen 2.797 N/A TYR 202.A OH ASN 182.A O no hydrogen 2.781 N/A TYR 204.A OH TYR 6.A O no hydrogen 2.759 N/A SER 205.A N ASP 203.A OD1 no hydrogen 2.841 N/A SER 205.A OG ASP 203.A OD1 no hydrogen 2.894 N/A SER 205.A OG HIS 302.A O no hydrogen 3.404 N/A LEU 206.A N ASP 203.A O no hydrogen 3.050 N/A ASP 207.A N TYR 204.A O no hydrogen 2.975 N/A TRP 209.A N SER 205.A O no hydrogen 3.295 N/A SER 210.A N LEU 206.A O no hydrogen 3.300 N/A SER 210.A OG PHE 190.A O no hydrogen 2.836 N/A SER 210.A OG LEU 206.A O no hydrogen 3.454 N/A LEU 211.A N ASP 207.A O no hydrogen 2.752 N/A GLY 212.A N MET 208.A O no hydrogen 2.801 N/A CYS 213.A N TRP 209.A O no hydrogen 2.821 N/A CYS 213.A SG TYR 189.A O no hydrogen 3.750 N/A CYS 213.A SG TRP 209.A O no hydrogen 3.600 N/A MET 214.A N SER 210.A O no hydrogen 2.946 N/A PHE 215.A N LEU 211.A O no hydrogen 2.679 N/A ALA 216.A N GLY 212.A O no hydrogen 2.817 N/A GLY 217.A N CYS 213.A O no hydrogen 3.099 N/A MET 218.A N MET 214.A O no hydrogen 3.011 N/A ILE 219.A N PHE 215.A O no hydrogen 2.805 N/A PHE 220.A N ALA 216.A O no hydrogen 2.953 N/A ARG 221.A NH2 ASP 281.A OD2 no hydrogen 3.366 N/A LYS 222.A N GLY 217.A O no hydrogen 3.140 N/A LYS 222.A NZ PHE 225.A O no hydrogen 3.195 N/A GLY 228.A N GLN 234.A OE1 no hydrogen 2.934 N/A HIS 229.A N ASP 233.A OD2 no hydrogen 2.737 N/A ASP 233.A N ASP 230.A OD1 no hydrogen 2.956 N/A GLN 234.A N ASP 230.A O no hydrogen 2.889 N/A GLN 234.A NE2 PHE 226.A O no hydrogen 3.341 N/A LEU 235.A N ASN 231.A O no hydrogen 3.399 N/A VAL 236.A N HIS 232.A O no hydrogen 3.142 N/A LYS 237.A N ASP 233.A O no hydrogen 2.942 N/A LYS 237.A NZ ASP 233.A OD2 no hydrogen 3.541 N/A ILE 238.A N GLN 234.A O no hydrogen 3.180 N/A ALA 239.A N LEU 235.A O no hydrogen 2.925 N/A LYS 240.A N VAL 236.A O no hydrogen 2.958 N/A LYS 240.A NZ HIS 269.A NE2 no hydrogen 3.104 N/A VAL 241.A N ILE 238.A O no hydrogen 3.045 N/A LEU 242.A N ILE 238.A O no hydrogen 2.825 N/A GLY 243.A N ALA 239.A O no hydrogen 2.811 N/A THR 244.A N HIS 269.A O no hydrogen 2.917 N/A THR 244.A OG1 HIS 269.A O no hydrogen 3.120 N/A ASN 248.A N THR 244.A O no hydrogen 2.965 N/A VAL 249.A N ASP 245.A O no hydrogen 2.945 N/A TYR 250.A N GLY 246.A O no hydrogen 3.195 N/A LEU 251.A N LEU 247.A O no hydrogen 2.980 N/A ASN 252.A N ASN 248.A O no hydrogen 3.124 N/A LYS 253.A N VAL 249.A O no hydrogen 2.832 N/A LYS 253.A NZ TYR 254.A OH no hydrogen 3.300 N/A LYS 253.A NZ ASP 301.A OD2 no hydrogen 2.740 N/A TYR 254.A N TYR 250.A O no hydrogen 2.986 N/A TYR 254.A OH ASP 301.A OD1 no hydrogen 2.408 N/A TYR 254.A OH ASP 301.A OD2 no hydrogen 3.381 N/A ARG 255.A N ASN 252.A O no hydrogen 3.158 N/A ILE 256.A N LEU 251.A O no hydrogen 2.754 N/A ASP 259.A N ASP 259.A OD1 no hydrogen 2.254 N/A GLU 263.A N ASP 259.A O no hydrogen 2.799 N/A ALA 264.A N PRO 260.A O no hydrogen 3.109 N/A LEU 265.A N GLN 261.A O no hydrogen 2.969 N/A VAL 266.A N LEU 262.A O no hydrogen 2.935 N/A GLY 267.A N GLU 263.A O no hydrogen 3.225 N/A HIS 269.A N THR 244.A OG1 no hydrogen 2.851 N/A ARG 271.A NH2 ASP 295.A OD1 no hydrogen 3.477 N/A LYS 272.A N VAL 241.A O no hydrogen 2.939 N/A TRP 274.A NE1 ASP 295.A OD1 no hydrogen 2.920 N/A LYS 276.A N PRO 273.A O no hydrogen 2.997 N/A PHE 277.A N TRP 274.A O no hydrogen 3.192 N/A MET 278.A N LEU 275.A O no hydrogen 3.104 N/A ASN 279.A N ASN 282.A OD1 no hydrogen 2.896 N/A ASN 282.A N ASN 279.A O no hydrogen 3.228 N/A ASN 282.A N ASN 279.A OD1 no hydrogen 2.997 N/A ASN 282.A ND2 PHE 220.A O no hydrogen 2.941 N/A ASN 282.A ND2 PHE 277.A O no hydrogen 3.018 N/A GLN 283.A N ASN 279.A O no hydrogen 2.995 N/A LEU 285.A N ASN 282.A O no hydrogen 2.771 N/A ILE 291.A N SER 287.A O no hydrogen 3.098 N/A ASP 292.A N PRO 288.A O no hydrogen 2.905 N/A PHE 293.A N GLU 289.A O no hydrogen 2.910 N/A LEU 294.A N ALA 290.A O no hydrogen 2.784 N/A ASP 295.A N ILE 291.A O no hydrogen 2.909 N/A LYS 296.A N ASP 292.A O no hydrogen 3.184 N/A LYS 296.A N PHE 293.A O no hydrogen 3.019 N/A LYS 296.A NZ ASP 292.A OD2 no hydrogen 2.939 N/A LEU 297.A N PHE 293.A O no hydrogen 3.270 N/A LEU 297.A N LEU 294.A O no hydrogen 2.997 N/A LEU 298.A N LEU 294.A O no hydrogen 3.014 N/A ARG 299.A N LEU 297.A O no hydrogen 2.923 N/A ARG 299.A NE ASP 295.A O no hydrogen 2.810 N/A ARG 299.A NH2 ASP 295.A OD2 no hydrogen 2.912 N/A TYR 300.A OH GLY 243.A O no hydrogen 2.846 N/A HIS 302.A NE2 SER 1.A OG no hydrogen 2.661 N/A GLN 303.A N ASP 301.A OD1 no hydrogen 3.043 N/A GLU 304.A N ASP 301.A O no hydrogen 2.874 N/A ARG 305.A NE ARG 299.A O no hydrogen 2.966 N/A ARG 305.A NH1 GLU 194.A OE1 no hydrogen 3.360 N/A ARG 305.A NH1 GLU 194.A OE2 no hydrogen 2.868 N/A ARG 305.A NH1 SER 205.A O no hydrogen 2.899 N/A ARG 305.A NH2 GLU 194.A OE1 no hydrogen 2.784 N/A ARG 305.A NH2 ARG 299.A O no hydrogen 3.266 N/A ARG 305.A NH2 TYR 300.A O no hydrogen 3.220 N/A LEU 306.A N LYS 296.A O no hydrogen 3.089 N/A THR 307.A N GLU 310.A OE1 no hydrogen 3.067 N/A THR 307.A OG1 GLU 310.A OE1 no hydrogen 3.218 N/A GLU 310.A N THR 307.A OG1 no hydrogen 3.200 N/A ALA 311.A N THR 307.A O no hydrogen 2.881 N/A MET 312.A N ALA 308.A O no hydrogen 3.094 N/A THR 313.A N GLU 310.A O no hydrogen 3.074 N/A THR 313.A OG1 GLU 310.A O no hydrogen 2.772 N/A HIS 314.A N ALA 311.A O no hydrogen 3.185 N/A HIS 314.A NE2 ASP 292.A OD2 no hydrogen 2.847 N/A TYR 316.A N HIS 314.A ND1 no hydrogen 2.887 N/A PHE 317.A N HIS 314.A O no hydrogen 3.064 N/A GLN 318.A N PRO 315.A O no hydrogen 3.164 N/A GLN 318.A NE2 PRO 315.A O no hydrogen 3.222 N/A ARG 321.A N PHE 317.A O no hydrogen 2.980 N/A ARG 321.A NH1 MET 312.A O no hydrogen 2.700 N/A ARG 321.A NH1 HIS 314.A O no hydrogen 2.813 N/A ALA 322.A N GLN 318.A O no hydrogen 3.045 N/A ALA 323.A N GLN 319.A O no hydrogen 3.027 N/A GLU 324.A N VAL 320.A O no hydrogen 3.175 N/A ASN 325.A N ARG 321.A O no hydrogen 2.890 N/A SER 326.A N ALA 323.A O no hydrogen 3.245 N/A SER 326.A OG ALA 322.A O no hydrogen 3.367 N/A