Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kux_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 6.A OG GLU 258.A OE1 no hydrogen 2.690 N/A PHE 8.A N SER 6.A OG no hydrogen 2.992 N/A CYS 12.A SG HIS 13.A O no hydrogen 3.803 N/A HIS 13.A N CYS 52.A O no hydrogen 2.980 N/A HIS 13.A NE2 ALA 58.A O no hydrogen 2.876 N/A LEU 15.A N HIS 13.A ND1 no hydrogen 2.962 N/A VAL 16.A N HIS 13.A O no hydrogen 3.315 N/A VAL 19.A N LEU 15.A O no hydrogen 2.937 N/A SER 20.A N VAL 16.A O no hydrogen 2.977 N/A SER 20.A OG VAL 16.A O no hydrogen 2.873 N/A LYS 21.A N GLU 17.A O no hydrogen 3.130 N/A GLU 22.A N GLU 18.A O no hydrogen 3.033 N/A VAL 23.A N VAL 19.A O no hydrogen 2.879 N/A ASP 24.A N SER 20.A O no hydrogen 2.897 N/A GLY 25.A N LYS 21.A O no hydrogen 2.993 N/A TYR 26.A N GLU 22.A O no hydrogen 2.974 N/A PHE 27.A N VAL 23.A O no hydrogen 3.059 N/A LEU 28.A N ASP 24.A O no hydrogen 2.860 N/A GLN 29.A N GLY 25.A O no hydrogen 3.076 N/A HIS 30.A N TYR 26.A O no hydrogen 3.050 N/A HIS 30.A N PHE 27.A O no hydrogen 3.226 N/A HIS 30.A ND1 TYR 113.A OH no hydrogen 2.724 N/A TRP 31.A N PHE 27.A O no hydrogen 2.892 N/A ALA 38.A N ASN 35.A OD1 no hydrogen 2.823 N/A ARG 39.A N ASN 35.A O no hydrogen 3.150 N/A ARG 39.A NH2 LEU 28.A O no hydrogen 2.347 N/A LYS 40.A N GLU 36.A O no hydrogen 2.983 N/A LYS 41.A N LYS 37.A O no hydrogen 3.014 N/A PHE 42.A N ALA 38.A O no hydrogen 2.912 N/A VAL 43.A N ARG 39.A O no hydrogen 3.306 N/A ALA 44.A N LYS 40.A O no hydrogen 2.909 N/A ALA 45.A N LYS 41.A O no hydrogen 3.015 N/A ALA 45.A N PHE 42.A O no hydrogen 3.274 N/A GLY 46.A N VAL 43.A O no hydrogen 3.256 N/A ARG 49.A NH2 THR 298.A OG1 no hydrogen 2.998 N/A VAL 50.A N GLY 46.A O no hydrogen 3.080 N/A THR 51.A N PHE 47.A O no hydrogen 3.292 N/A THR 51.A OG1 PHE 47.A O no hydrogen 2.890 N/A CYS 52.A N SER 48.A O no hydrogen 2.974 N/A CYS 52.A SG SER 48.A O no hydrogen 3.404 N/A LEU 53.A N ARG 49.A O no hydrogen 2.984 N/A TYR 54.A N VAL 50.A O no hydrogen 2.853 N/A PHE 55.A N THR 51.A O no hydrogen 2.925 N/A LYS 57.A NZ GLU 283.A OE2 no hydrogen 3.128 N/A LYS 57.A NZ TYR 287.A OH no hydrogen 3.057 N/A ALA 58.A N PHE 55.A O no hydrogen 3.137 N/A LEU 59.A N SER 178.A O no hydrogen 2.822 N/A ARG 62.A N LEU 59.A O no hydrogen 2.940 N/A ARG 62.A NE PHE 177.A O no hydrogen 2.962 N/A ARG 62.A NH1 ASP 126.A OD2 no hydrogen 3.556 N/A ARG 62.A NH2 ASP 126.A OD2 no hydrogen 2.733 N/A ARG 62.A NH2 PHE 177.A O no hydrogen 2.944 N/A ILE 63.A N LEU 59.A O no hydrogen 3.099 N/A PHE 65.A N ARG 62.A O no hydrogen 3.063 N/A CYS 67.A N ILE 63.A O no hydrogen 2.980 N/A CYS 67.A SG SER 48.A O no hydrogen 3.829 N/A CYS 67.A SG ILE 63.A O no hydrogen 3.495 N/A ARG 68.A N HIS 64.A O no hydrogen 2.944 N/A ARG 68.A NE HIS 64.A ND1 no hydrogen 2.889 N/A ARG 68.A NH2 GLU 22.A OE2 no hydrogen 2.876 N/A LEU 69.A N PHE 65.A O no hydrogen 2.997 N/A LEU 70.A N ALA 66.A O no hydrogen 2.988 N/A THR 71.A N CYS 67.A O no hydrogen 2.973 N/A THR 71.A OG1 CYS 67.A O no hydrogen 2.712 N/A VAL 72.A N ARG 68.A O no hydrogen 3.047 N/A LEU 73.A N LEU 69.A O no hydrogen 3.032 N/A PHE 74.A N LEU 70.A O no hydrogen 2.907 N/A LEU 75.A N THR 71.A O no hydrogen 3.023 N/A ILE 76.A N VAL 72.A O no hydrogen 2.955 N/A ASP 77.A N LEU 73.A O no hydrogen 2.830 N/A ASP 78.A N PHE 74.A O no hydrogen 3.147 N/A LEU 79.A N LEU 75.A O no hydrogen 3.150 N/A LEU 80.A N ILE 76.A O no hydrogen 2.975 N/A GLU 81.A N ASP 78.A O no hydrogen 3.069 N/A TYR 82.A N LEU 79.A O no hydrogen 3.216 N/A MET 83.A N LEU 80.A O no hydrogen 3.108 N/A SER 84.A N GLU 87.A OE1 no hydrogen 3.190 N/A PHE 85.A N GLU 224.A OE1 no hydrogen 2.856 N/A GLU 87.A N SER 84.A OG no hydrogen 2.914 N/A GLY 88.A N SER 84.A O no hydrogen 2.898 N/A SER 89.A N PHE 85.A O no hydrogen 2.902 N/A ALA 90.A N GLU 86.A O no hydrogen 3.115 N/A TYR 91.A N GLU 87.A O no hydrogen 2.985 N/A ASN 92.A N GLY 88.A O no hydrogen 3.005 N/A ASN 92.A ND2 MET 141.A O no hydrogen 3.229 N/A ASN 92.A ND2 GLN 144.A OE1 no hydrogen 3.121 N/A GLU 93.A N SER 89.A O no hydrogen 2.829 N/A LYS 94.A N ALA 90.A O no hydrogen 3.144 N/A LYS 94.A NZ GLU 112.A OE1 no hydrogen 2.512 N/A LEU 95.A N ASN 92.A O no hydrogen 2.954 N/A ILE 96.A N GLU 93.A O no hydrogen 3.219 N/A SER 99.A N LEU 95.A O no hydrogen 2.862 N/A SER 99.A OG LEU 95.A O no hydrogen 2.758 N/A ARG 100.A N ILE 96.A O no hydrogen 3.051 N/A ARG 100.A NH2 GLU 135.A OE2 no hydrogen 2.975 N/A GLY 101.A N ILE 98.A O no hydrogen 3.005 N/A ASP 102.A N PRO 97.A O no hydrogen 2.899 N/A ASP 106.A N GLU 112.A OE2 no hydrogen 2.883 N/A ARG 107.A NH1 ASP 117.A OD2 no hydrogen 2.982 N/A ARG 107.A NH2 ASP 117.A OD1 no hydrogen 2.533 N/A ARG 107.A NH2 ASP 117.A OD2 no hydrogen 3.372 N/A SER 108.A N ASP 106.A OD2 no hydrogen 2.868 N/A SER 108.A OG ASP 106.A OD2 no hydrogen 2.728 N/A ILE 109.A N ASP 106.A O no hydrogen 2.834 N/A GLU 112.A N ILE 109.A O no hydrogen 2.892 N/A TYR 113.A N ILE 109.A O no hydrogen 3.244 N/A TYR 113.A OH HIS 30.A ND1 no hydrogen 2.724 N/A ILE 114.A N PRO 110.A O no hydrogen 2.858 N/A ILE 115.A N VAL 111.A O no hydrogen 3.140 N/A TYR 116.A N GLU 112.A O no hydrogen 2.913 N/A ASP 117.A N TYR 113.A O no hydrogen 2.782 N/A LEU 118.A N ILE 114.A O no hydrogen 2.945 N/A TRP 119.A N ILE 115.A O no hydrogen 3.108 N/A GLU 120.A N TYR 116.A O no hydrogen 2.997 N/A SER 121.A N ASP 117.A O no hydrogen 2.990 N/A SER 121.A OG ASP 117.A O no hydrogen 3.515 N/A SER 121.A OG LEU 118.A O no hydrogen 2.736 N/A MET 122.A N LEU 118.A O no hydrogen 3.009 N/A ARG 123.A N TRP 119.A O no hydrogen 3.017 N/A ARG 123.A NH1 GLU 120.A OE2 no hydrogen 2.845 N/A ARG 123.A NH2 SER 99.A O no hydrogen 2.891 N/A ALA 124.A N GLU 120.A O no hydrogen 2.944 N/A HIS 125.A N SER 121.A O no hydrogen 3.087 N/A ASP 126.A N MET 122.A O no hydrogen 2.899 N/A ARG 127.A NE ASP 131.A OD1 no hydrogen 3.481 N/A MET 129.A N ASP 126.A OD1 no hydrogen 3.140 N/A ALA 130.A N ASP 126.A O no hydrogen 2.843 N/A ASP 131.A N ARG 127.A O no hydrogen 2.946 N/A GLU 132.A N MET 129.A O no hydrogen 3.287 N/A ILE 133.A N ALA 130.A O no hydrogen 3.145 N/A LEU 134.A N ASP 131.A O no hydrogen 3.220 N/A VAL 137.A N ILE 133.A O no hydrogen 3.081 N/A PHE 138.A N LEU 134.A O no hydrogen 2.987 N/A LEU 139.A N GLU 135.A O no hydrogen 2.926 N/A PHE 140.A N PRO 136.A O no hydrogen 3.223 N/A MET 141.A N VAL 137.A O no hydrogen 2.865 N/A ARG 142.A N PHE 138.A O no hydrogen 2.962 N/A ARG 142.A NE GLU 93.A OE2 no hydrogen 2.875 N/A ARG 142.A NH2 GLU 93.A OE1 no hydrogen 2.973 N/A ALA 143.A N LEU 139.A O no hydrogen 3.102 N/A GLN 144.A N PHE 140.A O no hydrogen 3.050 N/A GLN 144.A N MET 141.A O no hydrogen 3.239 N/A GLN 144.A NE2 ASP 77.A OD1 no hydrogen 3.188 N/A ASP 146.A N ALA 143.A O no hydrogen 3.235 N/A ARG 147.A NH2 GLU 224.A OE2 no hydrogen 2.779 N/A THR 148.A N ASP 146.A OD1 no hydrogen 2.814 N/A ARG 149.A N ASP 146.A O no hydrogen 3.059 N/A ARG 149.A NH1 TYR 161.A OH no hydrogen 2.961 N/A ARG 149.A NH1 ASP 165.A OD2 no hydrogen 3.532 N/A ALA 150.A N ARG 147.A O no hydrogen 2.830 N/A ARG 151.A N THR 148.A O no hydrogen 3.072 N/A TYR 158.A N GLY 154.A O no hydrogen 2.910 N/A TYR 158.A OH ASP 207.A OD2 no hydrogen 2.600 N/A LEU 159.A N LEU 155.A O no hydrogen 3.023 N/A GLU 160.A N GLY 156.A O no hydrogen 3.222 N/A TYR 161.A N GLY 157.A O no hydrogen 3.079 N/A TYR 161.A OH ALA 143.A O no hydrogen 2.806 N/A ARG 162.A N TYR 158.A O no hydrogen 2.689 N/A ARG 162.A NE ASP 165.A OD2 no hydrogen 3.397 N/A ARG 162.A NH1 ASN 206.A OD1 no hydrogen 3.313 N/A ARG 162.A NH1 ASP 207.A OD1 no hydrogen 3.053 N/A ARG 162.A NH2 ASP 165.A OD2 no hydrogen 2.781 N/A GLU 163.A N LEU 159.A O no hydrogen 3.089 N/A ARG 164.A N TYR 161.A O no hydrogen 3.030 N/A ASP 165.A N TYR 161.A O no hydrogen 3.328 N/A VAL 166.A N ARG 162.A O no hydrogen 2.739 N/A GLY 167.A N ARG 164.A O no hydrogen 2.975 N/A LYS 168.A N GLU 163.A O no hydrogen 3.224 N/A LYS 168.A NZ ASP 195.A OD1 no hydrogen 2.952 N/A LEU 171.A N GLY 167.A O no hydrogen 2.849 N/A ALA 172.A N LYS 168.A O no hydrogen 2.972 N/A ALA 173.A N GLU 169.A O no hydrogen 2.989 N/A LEU 174.A N LEU 170.A O no hydrogen 2.763 N/A MET 175.A N LEU 171.A O no hydrogen 2.814 N/A ARG 176.A N ALA 172.A O no hydrogen 2.987 N/A PHE 177.A N ALA 173.A O no hydrogen 2.951 N/A SER 178.A N LEU 174.A O no hydrogen 2.857 N/A SER 178.A OG LEU 174.A O no hydrogen 3.512 N/A SER 178.A OG MET 175.A O no hydrogen 2.894 N/A MET 179.A N MET 175.A O no hydrogen 3.051 N/A GLY 180.A N PHE 177.A O no hydrogen 3.088 N/A LEU 181.A N ARG 176.A O no hydrogen 2.839 N/A SER 184.A N GLU 187.A OE2 no hydrogen 2.730 N/A GLU 187.A N SER 184.A OG no hydrogen 2.935 N/A LEU 188.A N SER 184.A O no hydrogen 2.878 N/A GLN 189.A N PRO 185.A O no hydrogen 2.974 N/A ARG 190.A N SER 186.A O no hydrogen 3.222 N/A ARG 190.A NE SER 186.A O no hydrogen 3.290 N/A ARG 190.A NH1 LEU 273.A O no hydrogen 2.968 N/A ARG 190.A NH2 SER 186.A OG no hydrogen 2.628 N/A VAL 191.A N LEU 188.A O no hydrogen 3.419 N/A ARG 192.A N GLN 189.A O no hydrogen 3.445 N/A ASP 195.A N VAL 191.A O no hydrogen 2.877 N/A ALA 196.A N ARG 192.A O no hydrogen 2.939 N/A ASN 197.A N GLU 193.A O no hydrogen 3.101 N/A ASN 197.A ND2 TRP 257.A O no hydrogen 2.894 N/A CYS 198.A N ILE 194.A O no hydrogen 3.103 N/A CYS 198.A SG LEU 285.A O no hydrogen 4.010 N/A SER 199.A N ASP 195.A O no hydrogen 2.977 N/A LYS 200.A NZ ALA 196.A O no hydrogen 3.562 N/A HIS 201.A N ASN 197.A O no hydrogen 3.402 N/A HIS 201.A NE2 GLU 258.A OE2 no hydrogen 2.710 N/A LEU 202.A N CYS 198.A O no hydrogen 3.050 N/A SER 203.A N SER 199.A O no hydrogen 2.972 N/A SER 203.A OG SER 199.A O no hydrogen 2.808 N/A VAL 204.A N LYS 200.A O no hydrogen 2.932 N/A VAL 205.A N HIS 201.A O no hydrogen 2.919 N/A ASN 206.A N LEU 202.A O no hydrogen 2.972 N/A ASP 207.A N SER 203.A O no hydrogen 2.817 N/A ILE 208.A N VAL 204.A O no hydrogen 2.831 N/A TYR 209.A N VAL 205.A O no hydrogen 3.176 N/A SER 210.A N ASN 206.A O no hydrogen 2.825 N/A SER 210.A OG ASN 206.A O no hydrogen 2.795 N/A SER 210.A OG ASN 206.A OD1 no hydrogen 3.071 N/A SER 210.A OG GLU 214.A OE2 no hydrogen 2.959 N/A GLU 214.A N SER 210.A O no hydrogen 2.975 N/A LEU 215.A N TYR 211.A O no hydrogen 2.728 N/A TYR 216.A N GLU 212.A O no hydrogen 3.004 N/A THR 217.A N LYS 213.A O no hydrogen 2.949 N/A THR 217.A OG1 LYS 213.A O no hydrogen 3.163 N/A SER 218.A N GLU 214.A O no hydrogen 2.827 N/A SER 218.A OG LEU 215.A O no hydrogen 2.745 N/A LYS 219.A N LEU 215.A O no hydrogen 3.166 N/A LYS 219.A N TYR 216.A O no hydrogen 3.138 N/A THR 220.A N THR 217.A O no hydrogen 3.095 N/A THR 220.A OG1 TYR 216.A O no hydrogen 2.816 N/A ALA 221.A N THR 217.A O no hydrogen 2.786 N/A HIS 222.A N GLU 81.A O no hydrogen 3.056 N/A GLU 224.A N HIS 222.A ND1 no hydrogen 2.931 N/A GLY 226.A N HIS 222.A O no hydrogen 2.800 N/A ILE 227.A N GLU 224.A O no hydrogen 3.125 N/A SER 231.A N ASP 207.A OD2 no hydrogen 3.067 N/A SER 231.A OG ASP 207.A OD2 no hydrogen 2.678 N/A VAL 232.A N THR 230.A OG1 no hydrogen 3.156 N/A ILE 234.A N THR 230.A O no hydrogen 3.078 N/A LEU 235.A N SER 231.A O no hydrogen 2.928 N/A ALA 236.A N VAL 232.A O no hydrogen 3.058 N/A GLN 237.A N GLN 233.A O no hydrogen 2.977 N/A GLU 238.A N ILE 234.A O no hydrogen 2.845 N/A ALA 239.A N LEU 235.A O no hydrogen 2.812 N/A VAL 241.A N ALA 236.A O no hydrogen 3.051 N/A ALA 245.A N THR 242.A OG1 no hydrogen 3.002 N/A ALA 246.A N THR 242.A O no hydrogen 2.885 N/A LYS 247.A N ALA 243.A O no hydrogen 2.947 N/A ARG 248.A N GLU 244.A O no hydrogen 3.261 N/A VAL 249.A N ALA 245.A O no hydrogen 3.051 N/A LEU 250.A N ALA 246.A O no hydrogen 2.816 N/A PHE 251.A N LYS 247.A O no hydrogen 2.911 N/A VAL 252.A N ARG 248.A O no hydrogen 3.368 N/A MET 253.A N VAL 249.A O no hydrogen 3.121 N/A CYS 254.A N LEU 250.A O no hydrogen 2.865 N/A CYS 254.A SG LEU 250.A O no hydrogen 3.421 N/A ARG 255.A N PHE 251.A O no hydrogen 3.149 N/A ARG 255.A NE PRO 4.A O no hydrogen 2.982 N/A ARG 255.A NE PRO 5.A O no hydrogen 3.057 N/A ARG 255.A NH1 GLU 258.A OE2 no hydrogen 2.793 N/A ARG 255.A NH1 GLU 293.A OE1 no hydrogen 2.739 N/A ARG 255.A NH1 GLU 293.A OE2 no hydrogen 3.445 N/A ARG 255.A NH2 PRO 4.A O no hydrogen 2.711 N/A ARG 255.A NH2 GLU 293.A OE2 no hydrogen 2.759 N/A GLU 256.A N VAL 252.A O no hydrogen 3.120 N/A TRP 257.A N MET 253.A O no hydrogen 2.986 N/A GLU 258.A N CYS 254.A O no hydrogen 3.009 N/A LEU 259.A N ARG 255.A O no hydrogen 3.037 N/A ARG 260.A N GLU 256.A O no hydrogen 2.925 N/A HIS 261.A N TRP 257.A O no hydrogen 2.923 N/A GLN 262.A N GLU 258.A O no hydrogen 3.091 N/A GLN 262.A NE2 THR 7.A OG1 no hydrogen 2.892 N/A LEU 263.A N LEU 259.A O no hydrogen 3.015 N/A LEU 264.A N ARG 260.A O no hydrogen 2.810 N/A VAL 265.A N HIS 261.A O no hydrogen 2.933 N/A ALA 266.A N GLN 262.A O no hydrogen 2.968 N/A ARG 267.A N LEU 263.A O no hydrogen 2.928 N/A LEU 268.A N LEU 264.A O no hydrogen 3.013 N/A SER 269.A N VAL 265.A O no hydrogen 3.088 N/A ALA 270.A N ALA 266.A O no hydrogen 2.818 N/A GLU 271.A N ARG 267.A O no hydrogen 2.965 N/A LEU 273.A N LEU 268.A O no hydrogen 3.183 N/A THR 275.A OG1 GLU 187.A OE1 no hydrogen 2.537 N/A LEU 278.A N THR 275.A OG1 no hydrogen 3.037 N/A ALA 279.A N THR 275.A O no hydrogen 2.943 N/A ALA 280.A N PRO 276.A O no hydrogen 3.120 N/A TYR 281.A N GLY 277.A O no hydrogen 2.900 N/A TYR 281.A OH ASP 195.A OD1 no hydrogen 2.577 N/A TYR 281.A OH ASP 195.A OD2 no hydrogen 3.283 N/A VAL 282.A N LEU 278.A O no hydrogen 2.905 N/A GLU 283.A N ALA 279.A O no hydrogen 3.194 N/A GLY 284.A N ALA 280.A O no hydrogen 2.953 N/A LEU 285.A N TYR 281.A O no hydrogen 3.020 N/A GLU 286.A N VAL 282.A O no hydrogen 3.189 N/A TYR 287.A N GLU 283.A O no hydrogen 3.162 N/A GLN 288.A N GLY 284.A O no hydrogen 3.046 N/A GLN 288.A NE2 LEU 171.A O no hydrogen 3.562 N/A MET 289.A N LEU 285.A O no hydrogen 3.088 N/A SER 290.A N GLU 286.A O no hydrogen 3.059 N/A SER 290.A OG GLU 286.A O no hydrogen 3.335 N/A SER 290.A OG TYR 287.A O no hydrogen 3.523 N/A GLY 291.A N TYR 287.A O no hydrogen 2.764 N/A ASN 292.A N GLN 288.A O no hydrogen 2.912 N/A ASN 292.A ND2 LEU 202.A O no hydrogen 3.308 N/A GLU 293.A N MET 289.A O no hydrogen 3.182 N/A LEU 294.A N SER 290.A O no hydrogen 2.887 N/A TRP 295.A N GLY 291.A O no hydrogen 2.871 N/A TRP 295.A NE1 ALA 45.A O no hydrogen 3.044 N/A SER 296.A N ASN 292.A O no hydrogen 2.970 N/A SER 296.A OG ASN 292.A O no hydrogen 2.775 N/A GLN 297.A N GLU 293.A O no hydrogen 3.027 N/A GLN 297.A NE2 TYR 209.A OH no hydrogen 3.005 N/A GLN 297.A NE2 GLU 293.A OE2 no hydrogen 3.084 N/A THR 298.A N TRP 295.A O no hydrogen 2.956 N/A THR 298.A OG1 LEU 294.A O no hydrogen 2.844 N/A THR 298.A OG1 TRP 295.A O no hydrogen 3.286 N/A THR 299.A N TRP 295.A O no hydrogen 2.738 N/A THR 299.A OG1 ALA 45.A O no hydrogen 2.817 N/A ARG 301.A N THR 299.A OG1 no hydrogen 3.140 N/A ARG 301.A NH1 ASP 78.A OD1 no hydrogen 3.550 N/A ARG 301.A NH1 ASP 78.A OD2 no hydrogen 2.842 N/A ARG 301.A NH2 ASP 78.A OD1 no hydrogen 2.789 N/A TYR 302.A N THR 299.A O no hydrogen 3.177 N/A SER 303.A N THR 299.A O no hydrogen 3.402 N/A VAL 304.A N LEU 300.A O no hydrogen 3.040 N/A