Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qkl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N GLU 6.A OE2 no hydrogen 2.827 N/A THR 3.A OG1 GLU 6.A OE2 no hydrogen 2.669 N/A ASN 5.A N THR 3.A OG1 no hydrogen 3.370 N/A GLU 6.A N THR 3.A O no hydrogen 3.196 N/A GLU 8.A N LYS 25.A O no hydrogen 2.866 N/A TYR 9.A OH MET 4.A O no hydrogen 2.576 N/A LEU 10.A N LEU 23.A O no hydrogen 2.895 N/A LYS 11.A N LEU 23.A O no hydrogen 3.383 N/A LYS 11.A NZ THR 289.A O no hydrogen 2.775 N/A LEU 13.A N VAL 21.A O no hydrogen 2.756 N/A GLY 14.A N VAL 21.A O no hydrogen 3.290 N/A LYS 15.A NZ GLN 301.A OE1 no hydrogen 3.333 N/A GLY 16.A N GLY 19.A O no hydrogen 2.787 N/A GLY 19.A N GLY 16.A O no hydrogen 3.227 N/A LYS 20.A N ILE 37.A O no hydrogen 3.063 N/A VAL 21.A N GLY 14.A O no hydrogen 2.864 N/A ILE 22.A N MET 35.A O no hydrogen 3.045 N/A LEU 23.A N LYS 11.A O no hydrogen 2.735 N/A VAL 24.A N TYR 33.A O no hydrogen 2.965 N/A LYS 25.A N GLU 8.A O no hydrogen 2.934 N/A LYS 25.A NZ GLU 8.A OE2 no hydrogen 3.150 N/A GLU 26.A N ARG 31.A O no hydrogen 2.817 N/A LYS 27.A N GLU 6.A O no hydrogen 3.055 N/A LYS 27.A NZ ASN 5.A O no hydrogen 2.776 N/A THR 29.A N GLU 26.A O no hydrogen 3.177 N/A THR 29.A OG1 GLU 26.A OE1 no hydrogen 2.574 N/A GLY 30.A N GLU 26.A O no hydrogen 2.770 N/A ARG 31.A N THR 29.A OG1 no hydrogen 3.371 N/A TYR 33.A N VAL 24.A O no hydrogen 3.005 N/A ALA 34.A N MET 84.A O no hydrogen 2.741 N/A MET 35.A N ILE 22.A O no hydrogen 2.913 N/A LYS 36.A N PHE 82.A O no hydrogen 2.688 N/A LYS 36.A NZ GLU 55.A OE1 no hydrogen 2.669 N/A LYS 36.A NZ ASP 149.A OD1 no hydrogen 3.441 N/A ILE 37.A N LYS 20.A O no hydrogen 2.796 N/A LEU 38.A N LEU 80.A O no hydrogen 2.828 N/A LYS 39.A N PHE 18.A O no hydrogen 2.873 N/A LYS 40.A N ASP 78.A O no hydrogen 3.183 N/A LYS 40.A NZ GLN 75.A OE1 no hydrogen 2.747 N/A LYS 40.A NZ THR 76.A O no hydrogen 2.901 N/A LYS 40.A NZ PRO 306.A O no hydrogen 2.976 N/A ILE 43.A N LYS 39.A O no hydrogen 3.008 N/A VAL 44.A N LYS 40.A O no hydrogen 2.899 N/A ALA 45.A N GLU 41.A O no hydrogen 2.835 N/A LYS 46.A N VAL 42.A O no hydrogen 2.858 N/A ASP 47.A N VAL 44.A O no hydrogen 3.017 N/A GLU 48.A N ILE 43.A O no hydrogen 2.727 N/A HIS 51.A ND1 GLU 48.A OE1 no hydrogen 2.669 N/A THR 52.A N GLU 48.A O no hydrogen 3.005 N/A THR 52.A OG1 GLU 48.A O no hydrogen 3.175 N/A LEU 53.A N VAL 49.A O no hydrogen 3.084 N/A THR 54.A N ALA 50.A O no hydrogen 2.856 N/A THR 54.A OG1 ALA 50.A O no hydrogen 3.047 N/A GLU 55.A N HIS 51.A O no hydrogen 2.712 N/A ASN 56.A N THR 52.A O no hydrogen 3.027 N/A ASN 56.A ND2 PHE 311.A O no hydrogen 2.789 N/A ARG 57.A N LEU 53.A O no hydrogen 3.057 N/A ARG 57.A NE GLU 155.A OE2 no hydrogen 2.706 N/A ARG 57.A NH1 GLU 155.A OE2 no hydrogen 3.247 N/A VAL 58.A N THR 54.A O no hydrogen 2.925 N/A LEU 59.A N GLU 55.A O no hydrogen 2.904 N/A GLN 60.A N ASN 56.A O no hydrogen 2.993 N/A ASN 61.A N ARG 57.A O no hydrogen 2.907 N/A SER 62.A N LEU 59.A O no hydrogen 3.455 N/A SER 62.A OG VAL 58.A O no hydrogen 2.834 N/A SER 62.A OG LEU 59.A O no hydrogen 3.451 N/A ARG 63.A N TYR 120.A OH no hydrogen 2.797 N/A ARG 63.A NH1 GLN 60.A O no hydrogen 2.992 N/A ARG 63.A NH2 GLN 60.A O no hydrogen 3.345 N/A LEU 67.A N HIS 64.A O no hydrogen 3.220 N/A THR 68.A N ILE 147.A O no hydrogen 3.004 N/A THR 68.A OG1 ILE 147.A O no hydrogen 2.676 N/A LYS 71.A N VAL 83.A O no hydrogen 2.858 N/A TYR 72.A N VAL 83.A O no hydrogen 3.315 N/A TYR 72.A OH GLU 26.A OE2 no hydrogen 2.655 N/A SER 73.A N TYR 313.A O no hydrogen 2.927 N/A SER 73.A OG ASN 56.A OD1 no hydrogen 2.749 N/A PHE 74.A N CYS 81.A O no hydrogen 3.140 N/A GLN 75.A NE2 PHE 308.A O no hydrogen 2.788 N/A GLN 75.A NE2 ASP 312.A OD1 no hydrogen 2.825 N/A THR 76.A N ARG 79.A O no hydrogen 2.815 N/A THR 76.A OG1 ASP 78.A OD1 no hydrogen 3.155 N/A LEU 80.A N LEU 38.A O no hydrogen 2.995 N/A CYS 81.A N PHE 74.A O no hydrogen 2.914 N/A PHE 82.A N LYS 36.A O no hydrogen 2.899 N/A VAL 83.A N TYR 72.A O no hydrogen 2.752 N/A MET 84.A N ALA 34.A O no hydrogen 2.753 N/A GLU 85.A N ALA 69.A O no hydrogen 2.932 N/A GLY 89.A N LEU 139.A O no hydrogen 2.906 N/A GLY 90.A N ALA 87.A O no hydrogen 3.354 N/A LEU 92.A N LEU 137.A O no hydrogen 2.689 N/A PHE 93.A N LEU 134.A O no hydrogen 3.222 N/A PHE 94.A N GLU 91.A O no hydrogen 2.916 N/A HIS 95.A NE2 GLY 89.A O no hydrogen 2.673 N/A LEU 96.A N LEU 92.A O no hydrogen 2.868 N/A SER 97.A N PHE 93.A O no hydrogen 2.970 N/A SER 97.A OG PHE 93.A O no hydrogen 2.930 N/A ARG 98.A N HIS 95.A O no hydrogen 2.883 N/A ARG 98.A NH1 PHE 94.A O no hydrogen 3.061 N/A ARG 98.A NH2 ASP 295.A OD2 no hydrogen 3.483 N/A GLU 99.A N HIS 95.A O no hydrogen 2.807 N/A PHE 102.A N MET 198.A O no hydrogen 2.736 N/A ARG 106.A N SER 103.A OG no hydrogen 3.008 N/A ARG 106.A NE TYR 110.A OH no hydrogen 2.993 N/A ARG 106.A NH1 GLU 99.A OE2 no hydrogen 2.601 N/A ARG 106.A NH2 TYR 110.A OH no hydrogen 3.023 N/A ALA 107.A N SER 103.A O no hydrogen 2.908 N/A ARG 108.A N GLU 104.A O no hydrogen 2.812 N/A ARG 108.A NH1 PHE 263.A O no hydrogen 2.790 N/A ARG 108.A NH2 ASP 105.A OD1 no hydrogen 2.856 N/A PHE 109.A N ASP 105.A O no hydrogen 3.059 N/A TYR 110.A N ARG 106.A O no hydrogen 3.231 N/A GLY 111.A N ALA 107.A O no hydrogen 2.829 N/A ALA 112.A N ARG 108.A O no hydrogen 2.876 N/A GLU 113.A N PHE 109.A O no hydrogen 3.216 N/A ILE 114.A N TYR 110.A O no hydrogen 2.885 N/A VAL 115.A N GLY 111.A O no hydrogen 2.927 N/A SER 116.A N ALA 112.A O no hydrogen 2.942 N/A SER 116.A OG HIS 64.A NE2 no hydrogen 3.281 N/A ALA 117.A N GLU 113.A O no hydrogen 3.055 N/A LEU 118.A N ILE 114.A O no hydrogen 2.875 N/A ASP 119.A N VAL 115.A O no hydrogen 2.825 N/A TYR 120.A N SER 116.A O no hydrogen 3.157 N/A LEU 121.A N ALA 117.A O no hydrogen 2.951 N/A HIS 122.A N LEU 118.A O no hydrogen 2.848 N/A HIS 122.A ND1 ASP 254.A OD2 no hydrogen 2.748 N/A HIS 122.A NE2 ASP 187.A OD2 no hydrogen 2.606 N/A SER 123.A N ASP 119.A O no hydrogen 2.839 N/A SER 123.A OG ASP 119.A O no hydrogen 3.135 N/A SER 123.A OG ASP 119.A OD1 no hydrogen 3.263 N/A GLU 124.A N TYR 120.A O no hydrogen 2.870 N/A LYS 125.A N TYR 120.A O no hydrogen 3.224 N/A LYS 125.A NZ ASN 61.A O no hydrogen 2.552 N/A VAL 127.A N LEU 121.A O no hydrogen 2.749 N/A VAL 128.A N LYS 154.A O no hydrogen 2.980 N/A TYR 129.A N ASP 187.A OD2 no hydrogen 2.919 N/A TYR 129.A OH THR 148.A O no hydrogen 2.581 N/A TYR 129.A OH ASP 149.A O no hydrogen 3.328 N/A ARG 130.A N ASP 187.A OD1 no hydrogen 2.741 N/A ARG 130.A NE LEU 152.A O no hydrogen 2.782 N/A ARG 130.A NH1 TYR 182.A OH no hydrogen 2.786 N/A ARG 130.A NH2 LEU 152.A O no hydrogen 3.122 N/A LYS 133.A NZ THR 168.A OG1 no hydrogen 2.756 N/A LEU 134.A N TYR 171.A OH no hydrogen 3.193 N/A GLU 135.A N GLU 135.A OE1 no hydrogen 2.708 N/A ASN 136.A N LYS 133.A O no hydrogen 3.081 N/A ASN 136.A ND2 ASP 131.A O no hydrogen 3.062 N/A ASN 136.A ND2 ASP 131.A OD2 no hydrogen 3.091 N/A MET 138.A N LYS 146.A O no hydrogen 2.877 N/A LEU 139.A N GLY 90.A O no hydrogen 2.976 N/A ASP 140.A N HIS 144.A O no hydrogen 2.857 N/A ASP 142.A N ASP 140.A OD1 no hydrogen 2.861 N/A GLY 143.A N ASP 140.A O no hydrogen 2.907 N/A HIS 144.A N ASP 140.A OD1 no hydrogen 2.989 N/A HIS 144.A ND1 GLU 113.A OE2 no hydrogen 2.622 N/A ILE 145.A N GLU 113.A OE1 no hydrogen 2.831 N/A LYS 146.A N MET 138.A O no hydrogen 2.811 N/A LYS 146.A NZ PRO 65.A O no hydrogen 2.775 N/A ILE 147.A N PHE 66.A O no hydrogen 2.771 N/A THR 148.A N ASN 136.A O no hydrogen 2.931 N/A THR 148.A OG1 ASP 149.A OD2 no hydrogen 2.749 N/A PHE 150.A N GLU 55.A OE2 no hydrogen 2.914 N/A CYS 153.A N PHE 150.A O no hydrogen 3.136 N/A LYS 154.A N VAL 128.A O no hydrogen 2.808 N/A ILE 157.A N ASN 126.A O no hydrogen 2.775 N/A MET 163.A N TYR 182.A O no hydrogen 2.751 N/A THR 168.A OG1 ASP 131.A OD1 no hydrogen 2.747 N/A GLU 170.A N GLU 170.A OE2 no hydrogen 2.699 N/A TYR 171.A N THR 168.A O no hydrogen 2.857 N/A TYR 171.A OH GLU 197.A OE1 no hydrogen 2.474 N/A LEU 172.A N PRO 169.A O no hydrogen 3.350 N/A GLU 175.A N GLU 175.A OE1 no hydrogen 2.716 N/A LEU 177.A N ALA 173.A O no hydrogen 3.119 N/A GLU 178.A N PRO 174.A O no hydrogen 2.833 N/A ASP 179.A N VAL 176.A O no hydrogen 3.163 N/A ASN 180.A N GLU 175.A O no hydrogen 3.228 N/A TYR 182.A N MET 163.A O no hydrogen 3.070 N/A ARG 184.A NH1 ASP 159.A OD1 no hydrogen 3.143 N/A ARG 184.A NH2 GLY 251.A O no hydrogen 3.294 N/A ARG 184.A NH2 SER 252.A O no hydrogen 3.053 N/A VAL 186.A N GLY 183.A O no hydrogen 3.305 N/A ASP 187.A N ARG 184.A O no hydrogen 2.985 N/A TRP 188.A N ALA 185.A O no hydrogen 3.140 N/A TRP 188.A NE1 ASP 254.A OD1 no hydrogen 2.696 N/A TRP 189.A N ALA 185.A O no hydrogen 3.269 N/A GLY 190.A N VAL 186.A O no hydrogen 3.154 N/A LEU 191.A N ASP 187.A O no hydrogen 2.887 N/A GLY 192.A N TRP 188.A O no hydrogen 2.833 N/A VAL 193.A N TRP 189.A O no hydrogen 2.925 N/A VAL 194.A N GLY 190.A O no hydrogen 3.039 N/A MET 195.A N LEU 191.A O no hydrogen 2.902 N/A TYR 196.A N GLY 192.A O no hydrogen 2.905 N/A TYR 196.A OH ARG 223.A O no hydrogen 2.603 N/A GLU 197.A N VAL 193.A O no hydrogen 2.933 N/A MET 198.A N VAL 194.A O no hydrogen 2.900 N/A MET 199.A N MET 195.A O no hydrogen 2.994 N/A CYS 200.A N TYR 196.A O no hydrogen 2.637 N/A GLY 201.A N GLU 197.A O no hydrogen 2.878 N/A ASP 209.A N ASN 207.A OD1 no hydrogen 2.848 N/A LYS 212.A N ASP 209.A OD1 no hydrogen 3.004 N/A LEU 213.A N ASP 209.A O no hydrogen 2.797 N/A PHE 214.A N HIS 210.A O no hydrogen 2.734 N/A GLU 215.A N GLU 211.A O no hydrogen 3.073 N/A LEU 216.A N LYS 212.A O no hydrogen 2.973 N/A ILE 217.A N LEU 213.A O no hydrogen 3.024 N/A LEU 218.A N PHE 214.A O no hydrogen 3.039 N/A MET 219.A N GLU 215.A O no hydrogen 2.858 N/A MET 219.A N LEU 216.A O no hydrogen 3.192 N/A GLU 220.A N LEU 216.A O no hydrogen 2.872 N/A LEU 228.A N PRO 225.A O no hydrogen 3.157 N/A GLY 229.A N GLU 104.A OE1 no hydrogen 2.900 N/A LYS 233.A N GLY 229.A O no hydrogen 2.978 N/A LYS 233.A NZ PRO 225.A O no hydrogen 3.136 N/A LYS 233.A NZ LEU 228.A O no hydrogen 3.158 N/A SER 234.A N PRO 230.A O no hydrogen 2.874 N/A SER 234.A OG HIS 261.A NE2 no hydrogen 2.790 N/A LEU 235.A N GLU 231.A O no hydrogen 2.942 N/A LEU 236.A N ALA 232.A O no hydrogen 2.950 N/A SER 237.A N LYS 233.A O no hydrogen 2.872 N/A GLY 238.A N SER 234.A O no hydrogen 2.933 N/A LEU 239.A N LEU 235.A O no hydrogen 2.880 N/A LEU 240.A N LEU 236.A O no hydrogen 2.974 N/A LYS 242.A NZ ILE 217.A O no hydrogen 2.799 N/A LYS 242.A NZ GLU 220.A O no hydrogen 2.662 N/A LYS 245.A N ASP 243.A OD1 no hydrogen 3.004 N/A GLN 246.A N ASP 243.A O no hydrogen 2.968 N/A ARG 247.A N PRO 244.A O no hydrogen 3.282 N/A ARG 247.A NE LYS 241.A O no hydrogen 2.866 N/A ARG 247.A NH1 GLU 175.A OE2 no hydrogen 2.795 N/A ARG 247.A NH1 ALA 185.A O no hydrogen 2.896 N/A ARG 247.A NH2 GLU 175.A OE1 no hydrogen 2.821 N/A ARG 247.A NH2 GLU 175.A OE2 no hydrogen 3.560 N/A ARG 247.A NH2 LYS 241.A O no hydrogen 2.910 N/A LEU 248.A N GLY 238.A O no hydrogen 2.961 N/A GLY 249.A N GLU 257.A OE2 no hydrogen 2.955 N/A GLY 250.A N ARG 247.A O no hydrogen 2.862 N/A GLU 253.A N GLU 253.A OE1 no hydrogen 2.778 N/A ASP 254.A N GLY 251.A O no hydrogen 3.112 N/A LYS 256.A N GLU 253.A O no hydrogen 3.022 N/A GLU 257.A N ASP 254.A O no hydrogen 3.177 N/A MET 259.A N ALA 255.A O no hydrogen 2.982 N/A GLN 260.A N LYS 256.A O no hydrogen 3.268 N/A GLN 260.A NE2 LYS 256.A O no hydrogen 3.677 N/A HIS 261.A N ILE 258.A O no hydrogen 2.936 N/A HIS 261.A NE2 SER 234.A OG no hydrogen 2.790 N/A PHE 263.A N HIS 261.A ND1 no hydrogen 3.001 N/A PHE 264.A N HIS 261.A O no hydrogen 2.873 N/A ALA 265.A N ARG 262.A O no hydrogen 2.914 N/A ILE 267.A N PHE 264.A O no hydrogen 2.905 N/A TRP 269.A NE1 MET 259.A O no hydrogen 3.188 N/A VAL 272.A N VAL 268.A O no hydrogen 3.063 N/A TYR 273.A N TRP 269.A O no hydrogen 3.138 N/A GLU 274.A N GLN 270.A O no hydrogen 2.907 N/A LYS 275.A N VAL 272.A O no hydrogen 3.134 N/A LYS 276.A N HIS 271.A O no hydrogen 2.854 N/A LYS 276.A NZ GLU 274.A OE1 no hydrogen 2.994 N/A LYS 282.A NZ LYS 141.A O no hydrogen 3.290 N/A GLN 284.A N TYR 293.A OH no hydrogen 2.796 N/A THR 286.A N ASP 290.A OD2 no hydrogen 2.945 N/A THR 286.A OG1 ASP 290.A OD2 no hydrogen 3.286 N/A ARG 292.A NE ASP 290.A OD1 no hydrogen 3.415 N/A ARG 292.A NE ASP 290.A OD2 no hydrogen 2.799 N/A PHE 294.A N THR 291.A O no hydrogen 3.122 N/A PHE 298.A N ASP 295.A O no hydrogen 2.808 N/A THR 299.A N ASP 295.A O no hydrogen 3.083 N/A ALA 300.A N GLU 296.A O no hydrogen 3.014 N/A GLN 301.A N PHE 298.A O no hydrogen 3.223 N/A GLN 301.A NE2 GLU 297.A O no hydrogen 2.665 N/A PHE 308.A N GLN 75.A OE1 no hydrogen 2.879 N/A TYR 313.A N SER 73.A O no hydrogen 2.776 N/A ALA 315.A N LYS 71.A O no hydrogen 2.795 N/A