Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1tki_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A N GLU 2.A OE1 no hydrogen 3.332 N/A LYS 6.A N LEU 3.A O no hydrogen 3.273 N/A LYS 6.A NZ GLU 68.A OE2 no hydrogen 2.776 N/A TYR 7.A N LEU 3.A O no hydrogen 3.105 N/A TYR 7.A OH GLU 68.A OE1 no hydrogen 2.680 N/A MET 8.A N VAL 25.A O no hydrogen 3.041 N/A ALA 10.A N ARG 23.A O no hydrogen 2.718 N/A GLU 11.A N GLU 11.A OE1 no hydrogen 2.884 N/A LEU 13.A N VAL 21.A O no hydrogen 2.771 N/A GLY 16.A N GLY 19.A O no hydrogen 2.688 N/A ILE 20.A N PHE 37.A O no hydrogen 3.162 N/A VAL 21.A N GLY 14.A O no hydrogen 2.888 N/A HIS 22.A N ALA 35.A O no hydrogen 2.853 N/A HIS 22.A ND1 ALA 10.A O no hydrogen 2.788 N/A ARG 23.A N GLU 11.A O no hydrogen 2.929 N/A ARG 23.A NE GLU 11.A OE1 no hydrogen 3.184 N/A ARG 23.A NE GLU 11.A OE2 no hydrogen 2.870 N/A ARG 23.A NH1 THR 32.A OG1 no hydrogen 3.426 N/A ARG 23.A NH2 GLU 11.A OE1 no hydrogen 3.350 N/A CYS 24.A N TYR 33.A O no hydrogen 2.971 N/A VAL 25.A N MET 8.A O no hydrogen 3.016 N/A GLU 26.A N LYS 31.A O no hydrogen 2.886 N/A THR 27.A N LYS 6.A O no hydrogen 2.873 N/A THR 27.A OG1 LYS 6.A O no hydrogen 3.332 N/A SER 29.A OG GLU 26.A OE1 no hydrogen 2.606 N/A LYS 30.A N GLU 26.A O no hydrogen 2.629 N/A TYR 33.A N CYS 24.A O no hydrogen 2.855 N/A MET 34.A N PHE 80.A O no hydrogen 2.886 N/A ALA 35.A N HIS 22.A O no hydrogen 2.835 N/A LYS 36.A N MET 78.A O no hydrogen 2.812 N/A LYS 36.A NZ ILE 299.A O no hydrogen 2.972 N/A LYS 36.A NZ GLY 302.A O no hydrogen 2.888 N/A PHE 37.A N ILE 20.A O no hydrogen 2.886 N/A VAL 38.A N LEU 76.A O no hydrogen 2.809 N/A LYS 39.A N PHE 18.A O no hydrogen 3.140 N/A GLN 45.A N GLY 42.A O no hydrogen 2.936 N/A GLN 45.A NE2 VAL 40.A O no hydrogen 3.304 N/A GLN 45.A NE2 SER 72.A O no hydrogen 2.987 N/A VAL 48.A N ASP 44.A O no hydrogen 3.132 N/A LYS 49.A N GLN 45.A O no hydrogen 2.822 N/A LYS 49.A NZ GLU 71.A OE1 no hydrogen 2.852 N/A LYS 50.A N VAL 46.A O no hydrogen 2.939 N/A GLU 51.A N LEU 47.A O no hydrogen 3.226 N/A ILE 52.A N VAL 48.A O no hydrogen 2.942 N/A SER 53.A N LYS 49.A O no hydrogen 2.883 N/A SER 53.A OG LYS 49.A O no hydrogen 2.954 N/A ILE 54.A N LYS 50.A O no hydrogen 3.195 N/A LEU 55.A N GLU 51.A O no hydrogen 3.077 N/A ASN 56.A N ILE 52.A O no hydrogen 2.843 N/A ILE 57.A N SER 53.A O no hydrogen 2.908 N/A ALA 58.A N ILE 54.A O no hydrogen 2.778 N/A ARG 59.A NE ASN 56.A O no hydrogen 2.818 N/A ARG 59.A NH1 LEU 66.A O no hydrogen 2.850 N/A ARG 59.A NH2 ASN 56.A OD1 no hydrogen 2.771 N/A ARG 59.A NH2 LEU 66.A O no hydrogen 2.966 N/A ARG 61.A NH1 GLN 110.A OE1 no hydrogen 3.501 N/A ASN 62.A ND2 GLN 110.A OE1 no hydrogen 2.939 N/A ASN 62.A ND2 ILE 143.A O no hydrogen 2.891 N/A ILE 63.A N HIS 60.A O no hydrogen 3.004 N/A LEU 64.A N ILE 145.A O no hydrogen 3.041 N/A HIS 65.A N GLU 81.A OE2 no hydrogen 2.967 N/A HIS 67.A N ILE 79.A O no hydrogen 2.707 N/A HIS 67.A NE2 GLU 26.A OE2 no hydrogen 3.189 N/A GLU 68.A N ILE 79.A O no hydrogen 3.121 N/A PHE 70.A N VAL 77.A O no hydrogen 2.773 N/A SER 72.A OG GLU 2.A OE2 no hydrogen 2.825 N/A SER 72.A OG GLU 75.A O no hydrogen 3.047 N/A GLU 74.A N SER 72.A OG no hydrogen 3.205 N/A LEU 76.A N VAL 38.A O no hydrogen 3.218 N/A VAL 77.A N PHE 70.A O no hydrogen 3.117 N/A MET 78.A N LYS 36.A O no hydrogen 2.880 N/A ILE 79.A N GLU 68.A O no hydrogen 2.761 N/A PHE 80.A N MET 34.A O no hydrogen 2.815 N/A GLU 81.A N HIS 65.A O no hydrogen 2.958 N/A SER 84.A N GLN 136.A O no hydrogen 2.915 N/A ASP 87.A N GLU 90.A OE1 no hydrogen 3.134 N/A GLU 90.A N ASP 87.A OD1 no hydrogen 2.915 N/A ARG 91.A N ASP 87.A O no hydrogen 2.972 N/A ILE 92.A N ILE 88.A O no hydrogen 2.901 N/A ASN 93.A N GLU 90.A O no hydrogen 3.083 N/A THR 94.A N ARG 91.A O no hydrogen 3.311 N/A THR 94.A OG1 ARG 91.A O no hydrogen 2.772 N/A ARG 102.A N SER 269.A O no hydrogen 3.061 N/A GLU 103.A N ASN 100.A OD1 no hydrogen 2.878 N/A ILE 104.A N ASN 100.A O no hydrogen 3.288 N/A VAL 105.A N GLU 101.A O no hydrogen 2.832 N/A SER 106.A N ARG 102.A O no hydrogen 3.054 N/A TYR 107.A N GLU 103.A O no hydrogen 3.033 N/A VAL 108.A N ILE 104.A O no hydrogen 2.755 N/A HIS 109.A N VAL 105.A O no hydrogen 2.760 N/A HIS 109.A ND1 GLU 113.A OE2 no hydrogen 3.065 N/A GLN 110.A N SER 106.A O no hydrogen 3.459 N/A GLN 110.A NE2 SER 106.A O no hydrogen 3.070 N/A GLN 110.A NE2 SER 141.A O no hydrogen 2.914 N/A VAL 111.A N TYR 107.A O no hydrogen 3.216 N/A CYS 112.A N VAL 108.A O no hydrogen 2.916 N/A CYS 112.A SG VAL 108.A O no hydrogen 3.570 N/A GLU 113.A N HIS 109.A O no hydrogen 3.093 N/A ALA 114.A N GLN 110.A O no hydrogen 3.071 N/A LEU 115.A N VAL 111.A O no hydrogen 2.942 N/A GLN 116.A N CYS 112.A O no hydrogen 2.849 N/A GLN 116.A NE2 SER 253.A OG no hydrogen 3.000 N/A PHE 117.A N GLU 113.A O no hydrogen 3.070 N/A LEU 118.A N ALA 114.A O no hydrogen 2.856 N/A HIS 119.A N LEU 115.A O no hydrogen 2.801 N/A HIS 119.A NE2 ASP 185.A OD2 no hydrogen 2.876 N/A SER 120.A N GLN 116.A O no hydrogen 2.961 N/A SER 120.A N PHE 117.A O no hydrogen 3.182 N/A SER 120.A OG PHE 117.A O no hydrogen 2.691 N/A SER 120.A OG HIS 121.A ND1 no hydrogen 3.356 N/A HIS 121.A N LEU 118.A O no hydrogen 3.043 N/A HIS 121.A ND1 PHE 117.A O no hydrogen 3.224 N/A ASN 122.A N HIS 119.A O no hydrogen 2.974 N/A ILE 123.A N LEU 118.A O no hydrogen 2.898 N/A GLY 124.A N ARG 152.A O no hydrogen 2.887 N/A HIS 125.A N ASP 185.A OD2 no hydrogen 2.849 N/A PHE 126.A N ASP 185.A OD1 no hydrogen 2.810 N/A ASP 127.A N HIS 125.A ND1 no hydrogen 3.094 N/A ARG 129.A NE GLU 131.A OE2 no hydrogen 3.151 N/A ARG 129.A NH1 ASP 127.A OD1 no hydrogen 2.785 N/A ARG 129.A NH2 ASP 127.A OD1 no hydrogen 3.142 N/A GLU 131.A N GLU 131.A OE1 no hydrogen 2.848 N/A ASN 132.A N ARG 129.A O no hydrogen 3.019 N/A ASN 132.A ND2 ASP 127.A O no hydrogen 2.885 N/A ILE 133.A N PRO 130.A O no hydrogen 3.336 N/A ILE 134.A N LYS 144.A O no hydrogen 2.932 N/A TYR 135.A N LEU 86.A O no hydrogen 3.034 N/A GLN 136.A N THR 142.A O no hydrogen 2.854 N/A ARG 139.A N THR 137.A OG1 no hydrogen 3.146 N/A SER 140.A N THR 137.A OG1 no hydrogen 2.967 N/A THR 142.A N SER 140.A OG no hydrogen 3.019 N/A ILE 143.A N GLN 110.A OE1 no hydrogen 3.058 N/A LYS 144.A N ILE 134.A O no hydrogen 2.730 N/A LYS 144.A NZ GLU 81.A OE2 no hydrogen 2.788 N/A ILE 145.A N ASN 62.A O no hydrogen 2.846 N/A ILE 146.A N ASN 132.A O no hydrogen 2.865 N/A GLY 149.A N GLU 147.A OE2 no hydrogen 2.978 N/A GLN 150.A NE2 ASP 127.A OD1 no hydrogen 3.214 N/A GLN 150.A NE2 ASP 127.A OD2 no hydrogen 3.560 N/A GLN 150.A NE2 LEU 163.A O no hydrogen 2.981 N/A ALA 151.A N PHE 148.A O no hydrogen 3.355 N/A ARG 152.A N GLY 124.A O no hydrogen 3.019 N/A GLN 153.A NE2 HIS 121.A O no hydrogen 3.102 N/A LEU 154.A N ASN 122.A O no hydrogen 2.858 N/A GLY 157.A N VAL 318.A O no hydrogen 2.979 N/A ASP 158.A N LYS 155.A O no hydrogen 3.029 N/A PHE 160.A N VAL 316.A O no hydrogen 3.039 N/A LEU 162.A N ALA 314.A O no hydrogen 2.848 N/A LEU 163.A N GLN 150.A OE1 no hydrogen 2.807 N/A PHE 164.A N SER 312.A O no hydrogen 2.975 N/A GLU 168.A N GLU 168.A OE1 no hydrogen 2.801 N/A TYR 169.A N ALA 166.A O no hydrogen 3.395 N/A TYR 169.A OH TYR 281.A OH no hydrogen 2.694 N/A TYR 170.A N PRO 167.A O no hydrogen 2.911 N/A TYR 170.A OH PHE 126.A O no hydrogen 2.578 N/A GLU 173.A N GLU 173.A OE1 no hydrogen 2.961 N/A VAL 174.A N ALA 171.A O no hydrogen 2.863 N/A HIS 175.A N ALA 171.A O no hydrogen 3.356 N/A HIS 175.A NE2 PRO 167.A O no hydrogen 3.030 N/A GLN 176.A N PRO 172.A O no hydrogen 2.858 N/A HIS 177.A N VAL 174.A O no hydrogen 2.963 N/A ASP 178.A N GLU 173.A O no hydrogen 2.869 N/A VAL 180.A N LYS 317.A O no hydrogen 2.846 N/A SER 181.A N THR 184.A OG1 no hydrogen 3.002 N/A ALA 183.A N SER 181.A OG no hydrogen 3.349 N/A THR 184.A N SER 181.A O no hydrogen 2.810 N/A THR 184.A OG1 GLU 173.A OE2 no hydrogen 2.859 N/A THR 184.A OG1 SER 181.A O no hydrogen 2.994 N/A ASP 185.A N THR 182.A O no hydrogen 3.094 N/A TRP 187.A N ALA 183.A O no hydrogen 3.421 N/A TRP 187.A NE1 GLU 168.A O no hydrogen 3.167 N/A SER 188.A N THR 184.A O no hydrogen 3.322 N/A SER 188.A OG ILE 128.A O no hydrogen 2.801 N/A SER 188.A OG TYR 169.A O no hydrogen 3.067 N/A LEU 189.A N ASP 185.A O no hydrogen 2.931 N/A GLY 190.A N MET 186.A O no hydrogen 2.980 N/A THR 191.A N TRP 187.A O no hydrogen 3.039 N/A THR 191.A OG1 GLU 168.A O no hydrogen 2.788 N/A LEU 192.A N SER 188.A O no hydrogen 3.029 N/A VAL 193.A N LEU 189.A O no hydrogen 2.867 N/A TYR 194.A N GLY 190.A O no hydrogen 3.004 N/A TYR 194.A OH THR 221.A O no hydrogen 2.657 N/A VAL 195.A N THR 191.A O no hydrogen 2.987 N/A LEU 196.A N LEU 192.A O no hydrogen 2.963 N/A LEU 197.A N VAL 193.A O no hydrogen 2.886 N/A SER 198.A N TYR 194.A O no hydrogen 2.926 N/A SER 198.A OG TYR 194.A O no hydrogen 2.965 N/A GLY 199.A N VAL 195.A O no hydrogen 2.622 N/A ILE 200.A N SER 198.A OG no hydrogen 3.158 N/A PHE 203.A N ASN 201.A OD1 no hydrogen 2.937 N/A LEU 204.A N ASN 201.A O no hydrogen 3.207 N/A GLN 210.A N THR 207.A O no hydrogen 2.985 N/A GLN 210.A N THR 207.A OG1 no hydrogen 3.271 N/A ILE 211.A N THR 207.A O no hydrogen 3.038 N/A ILE 212.A N ASN 208.A O no hydrogen 2.908 N/A GLU 213.A N GLN 209.A O no hydrogen 3.057 N/A ASN 214.A N GLN 210.A O no hydrogen 2.953 N/A ASN 214.A ND2 PHE 203.A O no hydrogen 3.421 N/A ILE 215.A N ILE 211.A O no hydrogen 2.952 N/A MET 216.A N ILE 212.A O no hydrogen 2.862 N/A ASN 217.A N GLU 213.A O no hydrogen 2.994 N/A ASN 217.A N ASN 214.A O no hydrogen 3.231 N/A ALA 218.A N ILE 215.A O no hydrogen 2.833 N/A GLU 219.A N ASN 214.A O no hydrogen 2.805 N/A ASP 223.A N TYR 194.A OH no hydrogen 3.406 N/A ALA 226.A N ASP 223.A OD2 no hydrogen 3.007 N/A PHE 227.A N ASP 223.A O no hydrogen 2.817 N/A LYS 228.A NZ GLU 229.A OE2 no hydrogen 3.479 N/A ILE 230.A N PHE 227.A O no hydrogen 2.855 N/A SER 231.A N GLU 101.A OE1 no hydrogen 3.096 N/A SER 231.A OG GLU 101.A OE2 no hydrogen 2.631 N/A GLU 233.A N GLU 233.A OE1 no hydrogen 2.895 N/A ALA 234.A N SER 231.A O no hydrogen 3.127 N/A ALA 234.A N SER 231.A OG no hydrogen 3.258 N/A MET 235.A N SER 231.A O no hydrogen 3.328 N/A ASP 236.A N ILE 232.A O no hydrogen 2.883 N/A PHE 237.A N GLU 233.A O no hydrogen 2.870 N/A VAL 238.A N ALA 234.A O no hydrogen 3.044 N/A ASP 239.A N MET 235.A O no hydrogen 2.859 N/A ARG 240.A N ASP 236.A O no hydrogen 3.204 N/A ARG 240.A N PHE 237.A O no hydrogen 3.258 N/A ARG 240.A NE ASP 236.A OD1 no hydrogen 3.290 N/A ARG 240.A NE ASP 236.A OD2 no hydrogen 3.004 N/A ARG 240.A NH2 ASP 236.A OD1 no hydrogen 3.403 N/A LEU 241.A N VAL 238.A O no hydrogen 2.924 N/A LEU 242.A N VAL 238.A O no hydrogen 2.984 N/A SER 248.A N GLU 245.A O no hydrogen 3.095 N/A ARG 249.A N ARG 246.A O no hydrogen 3.290 N/A ARG 249.A NE VAL 243.A O no hydrogen 2.920 N/A ARG 249.A NH1 GLU 173.A OE2 no hydrogen 2.987 N/A ARG 249.A NH1 ALA 183.A O no hydrogen 2.764 N/A ARG 249.A NH2 GLU 173.A OE1 no hydrogen 3.235 N/A ARG 249.A NH2 VAL 243.A O no hydrogen 2.642 N/A MET 250.A N ARG 240.A O no hydrogen 2.901 N/A GLU 254.A N THR 251.A OG1 no hydrogen 3.132 N/A ALA 255.A N THR 251.A O no hydrogen 2.883 N/A LEU 256.A N ALA 252.A O no hydrogen 3.072 N/A GLN 257.A N GLU 254.A O no hydrogen 2.930 N/A HIS 258.A N ALA 255.A O no hydrogen 3.162 N/A HIS 258.A NE2 ASP 236.A OD2 no hydrogen 2.765 N/A TRP 260.A N HIS 258.A ND1 no hydrogen 3.162 N/A TRP 260.A NE1 GLU 101.A OE2 no hydrogen 2.846 N/A LEU 261.A N HIS 258.A O no hydrogen 3.015 N/A LYS 262.A N HIS 258.A O no hydrogen 2.793 N/A GLN 263.A N PRO 259.A O no hydrogen 2.945 N/A GLN 263.A NE2 TRP 260.A O no hydrogen 3.112 N/A ARG 267.A N LYS 264.A O no hydrogen 2.752 N/A VAL 268.A N ILE 265.A O no hydrogen 3.334 N/A LYS 271.A N SER 269.A OG no hydrogen 2.920 N/A ILE 273.A N LEU 99.A O no hydrogen 2.794 N/A ARG 279.A N THR 275.A O no hydrogen 3.066 N/A TYR 281.A N LYS 277.A O no hydrogen 2.898 N/A TYR 281.A OH GLU 168.A OE2 no hydrogen 2.607 N/A TYR 281.A OH TYR 169.A OH no hydrogen 2.694 N/A TYR 282.A N HIS 278.A O no hydrogen 2.926 N/A TYR 282.A OH ASP 87.A OD2 no hydrogen 2.651 N/A HIS 283.A N ARG 279.A O no hydrogen 3.176 N/A THR 284.A N TYR 281.A O no hydrogen 3.029 N/A THR 284.A OG1 ARG 280.A O no hydrogen 3.266 N/A LEU 285.A N TYR 281.A O no hydrogen 2.940 N/A ILE 286.A N TYR 282.A O no hydrogen 2.892 N/A LYS 287.A N HIS 283.A O no hydrogen 3.331 N/A MET 292.A N LEU 290.A O no hydrogen 2.902 N/A VAL 293.A N LEU 13.A O no hydrogen 2.847 N/A SER 295.A OG GLU 90.A OE1 no hydrogen 2.672 N/A ALA 297.A N VAL 294.A O no hydrogen 3.009 N/A ARG 298.A N SER 295.A O no hydrogen 3.105 N/A ARG 298.A NE GLU 131.A O no hydrogen 3.158 N/A ARG 298.A NH1 ASP 87.A OD2 no hydrogen 3.070 N/A ARG 298.A NH2 ASP 87.A OD2 no hydrogen 2.663 N/A ARG 298.A NH2 GLU 131.A O no hydrogen 2.641 N/A ILE 299.A N ALA 296.A O no hydrogen 3.168 N/A SER 300.A N ALA 297.A O no hydrogen 3.057 N/A SER 300.A OG ALA 297.A O no hydrogen 2.817 N/A CYS 301.A N ARG 298.A O no hydrogen 2.914 N/A CYS 301.A SG ARG 15.A O no hydrogen 3.534 N/A GLY 302.A N ILE 299.A O no hydrogen 2.930 N/A GLY 303.A N GLU 147.A OE2 no hydrogen 3.008 N/A ALA 304.A N GLU 51.A OE1 no hydrogen 2.887 N/A ARG 306.A NH1 GLY 303.A O no hydrogen 2.685 N/A SER 307.A OG GLU 17.A OE1 no hydrogen 2.979 N/A VAL 311.A N GLN 308.A O no hydrogen 3.205 N/A SER 312.A N PHE 164.A O no hydrogen 2.803 N/A ALA 314.A N LEU 162.A O no hydrogen 2.821 N/A VAL 316.A N PHE 160.A O no hydrogen 2.804 N/A LYS 317.A N ASP 178.A O no hydrogen 2.878 N/A VAL 318.A N ASP 158.A O no hydrogen 2.875 N/A