Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1qwk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A OG THR 1.A O no hydrogen 3.030 N/A ILE 4.A N MET 12.A O no hydrogen 2.738 N/A LYS 5.A NZ GLY 9.A O no hydrogen 3.212 N/A LEU 6.A N VAL 10.A O no hydrogen 2.753 N/A SER 7.A OG HIS 168.A ND1 no hydrogen 3.269 N/A ASN 8.A ND2 TYR 138.A OH no hydrogen 3.024 N/A ASN 8.A ND2 LYS 144.A O no hydrogen 2.980 N/A GLY 9.A N LEU 6.A O no hydrogen 2.886 N/A VAL 10.A N ASN 8.A OD1 no hydrogen 3.245 N/A MET 12.A N ILE 4.A O no hydrogen 2.800 N/A VAL 14.A N ALA 2.A O no hydrogen 2.964 N/A GLY 16.A N ILE 256.A O no hydrogen 3.004 N/A LEU 17.A N LEU 41.A O no hydrogen 2.866 N/A GLY 18.A N PRO 258.A O no hydrogen 3.125 N/A THR 19.A N ASP 43.A O no hydrogen 3.190 N/A THR 19.A OG1 ASP 43.A O no hydrogen 2.691 N/A SER 22.A N THR 19.A O no hydrogen 3.015 N/A SER 23.A N GLU 26.A OE1 no hydrogen 3.139 N/A SER 23.A OG GLU 26.A OE1 no hydrogen 2.964 N/A GLU 26.A N SER 23.A OG no hydrogen 3.347 N/A VAL 27.A N SER 23.A O no hydrogen 2.768 N/A ALA 30.A N GLU 26.A O no hydrogen 2.988 N/A VAL 31.A N VAL 27.A O no hydrogen 2.740 N/A LYS 32.A N ILE 28.A O no hydrogen 3.126 N/A LYS 32.A NZ GLU 60.A OE1 no hydrogen 2.921 N/A LYS 32.A NZ GLU 64.A OE2 no hydrogen 2.773 N/A THR 33.A N THR 29.A O no hydrogen 3.011 N/A THR 33.A OG1 THR 29.A O no hydrogen 2.735 N/A ALA 34.A N ALA 30.A O no hydrogen 2.930 N/A VAL 35.A N VAL 31.A O no hydrogen 2.917 N/A LYS 36.A N LYS 32.A O no hydrogen 3.013 N/A ALA 37.A N THR 33.A O no hydrogen 2.986 N/A ALA 37.A N ALA 34.A O no hydrogen 3.055 N/A GLY 38.A N ALA 34.A O no hydrogen 3.023 N/A GLY 38.A N VAL 35.A O no hydrogen 3.160 N/A TYR 39.A N ALA 34.A O no hydrogen 2.884 N/A TYR 39.A OH ILE 266.A O no hydrogen 2.699 N/A ARG 40.A NH1 VAL 35.A O no hydrogen 2.851 N/A ARG 40.A NH1 TYR 39.A O no hydrogen 2.787 N/A ILE 42.A N PHE 73.A O no hydrogen 2.969 N/A ASP 43.A N LEU 17.A O no hydrogen 2.924 N/A THR 44.A N THR 75.A O no hydrogen 2.853 N/A THR 44.A OG1 ASN 50.A OD1 no hydrogen 2.698 N/A ALA 45.A N THR 44.A OG1 no hydrogen 2.659 N/A SER 46.A N LYS 77.A O no hydrogen 3.177 N/A SER 46.A OG LYS 77.A O no hydrogen 3.352 N/A SER 46.A OG GLU 82.A OE1 no hydrogen 2.790 N/A TYR 48.A N ALA 45.A O no hydrogen 3.050 N/A GLN 49.A N SER 46.A O no hydrogen 3.237 N/A GLN 49.A NE2 VAL 47.A O no hydrogen 3.232 N/A ASN 50.A ND2 THR 19.A OG1 no hydrogen 3.381 N/A ASN 50.A ND2 SER 22.A O no hydrogen 3.368 N/A ILE 54.A N ASN 50.A O no hydrogen 3.032 N/A GLY 55.A N GLU 51.A O no hydrogen 2.874 N/A THR 56.A N GLU 52.A O no hydrogen 3.089 N/A THR 56.A OG1 GLU 52.A O no hydrogen 3.272 N/A ALA 57.A N ALA 53.A O no hydrogen 2.904 N/A ILE 58.A N ILE 54.A O no hydrogen 2.881 N/A LYS 59.A N GLY 55.A O no hydrogen 2.971 N/A LYS 59.A NZ GLU 63.A OE2 no hydrogen 3.234 N/A GLU 60.A N THR 56.A O no hydrogen 2.986 N/A LEU 61.A N ALA 57.A O no hydrogen 2.984 N/A LEU 62.A N ILE 58.A O no hydrogen 2.954 N/A GLU 63.A N LYS 59.A O no hydrogen 3.017 N/A GLU 64.A N GLU 60.A O no hydrogen 2.911 N/A GLY 65.A N LEU 62.A O no hydrogen 3.076 N/A VAL 66.A N LEU 61.A O no hydrogen 3.059 N/A LYS 68.A N GLU 71.A OE1 no hydrogen 2.753 N/A ARG 69.A NH1 ARG 69.A O no hydrogen 2.980 N/A ARG 69.A NH1 LEU 72.A O no hydrogen 2.899 N/A ARG 69.A NH1 ASP 105.A OD2 no hydrogen 3.140 N/A ARG 69.A NH2 TYR 103.A O no hydrogen 2.951 N/A ARG 69.A NH2 ASP 105.A OD2 no hydrogen 3.032 N/A GLU 71.A N LYS 68.A O no hydrogen 2.884 N/A LEU 72.A N ARG 69.A O no hydrogen 2.944 N/A PHE 73.A N ARG 40.A O no hydrogen 2.789 N/A ILE 74.A N ASP 105.A OD2 no hydrogen 2.781 N/A THR 75.A N ILE 42.A O no hydrogen 2.974 N/A THR 76.A N LEU 106.A O no hydrogen 3.101 N/A THR 76.A OG1 GLU 51.A OE2 no hydrogen 2.642 N/A LYS 77.A NZ ASP 43.A OD2 no hydrogen 2.632 N/A LYS 77.A NZ THR 44.A O no hydrogen 2.857 N/A LYS 77.A NZ TYR 48.A OH no hydrogen 3.281 N/A ALA 78.A N LEU 108.A O no hydrogen 2.825 N/A TRP 79.A N GLU 82.A OE1 no hydrogen 2.795 N/A HIS 81.A N HIS 81.A ND1 no hydrogen 2.919 N/A GLU 82.A N TRP 79.A O no hydrogen 2.956 N/A LEU 83.A N THR 80.A O no hydrogen 3.431 N/A LYS 87.A N ALA 84.A O no hydrogen 2.952 N/A LEU 88.A N GLN 133.A OE1 no hydrogen 3.089 N/A GLY 91.A N LYS 87.A O no hydrogen 3.182 N/A LEU 92.A N LEU 88.A O no hydrogen 2.888 N/A ARG 93.A N GLU 89.A O no hydrogen 2.898 N/A ARG 93.A NE GLU 89.A OE2 no hydrogen 3.148 N/A GLU 94.A N GLY 90.A O no hydrogen 3.063 N/A SER 95.A N GLY 91.A O no hydrogen 3.008 N/A SER 95.A OG GLU 51.A OE1 no hydrogen 3.253 N/A SER 95.A OG GLU 51.A OE2 no hydrogen 2.939 N/A SER 95.A OG GLY 91.A O no hydrogen 3.356 N/A LEU 96.A N LEU 92.A O no hydrogen 2.855 N/A LYS 97.A N ARG 93.A O no hydrogen 3.004 N/A LYS 98.A N GLU 94.A O no hydrogen 3.095 N/A LEU 99.A N SER 95.A O no hydrogen 2.892 N/A GLN 100.A N LYS 97.A O no hydrogen 3.182 N/A LEU 101.A N LEU 96.A O no hydrogen 3.043 N/A VAL 104.A N LEU 142.A O no hydrogen 3.060 N/A ASP 105.A N ILE 74.A O no hydrogen 2.957 N/A LEU 106.A N ILE 74.A O no hydrogen 3.255 N/A TYR 107.A N ALA 145.A O no hydrogen 3.023 N/A LEU 108.A N THR 76.A O no hydrogen 3.034 N/A ALA 109.A N GLY 147.A O no hydrogen 3.041 N/A HIS 110.A N ALA 78.A O no hydrogen 2.989 N/A HIS 110.A ND1 HIS 110.A O no hydrogen 2.892 N/A PHE 115.A N THR 80.A O no hydrogen 3.171 N/A ASN 116.A N GLU 121.A O no hydrogen 3.176 N/A ASN 116.A ND2 SER 120.A OG no hydrogen 3.051 N/A MET 119.A N ASN 116.A O no hydrogen 3.073 N/A SER 120.A N ASN 116.A OD1 no hydrogen 2.855 N/A SER 120.A OG ASP 118.A OD1 no hydrogen 2.562 N/A SER 120.A OG ASP 118.A OD2 no hydrogen 3.304 N/A GLU 121.A N ASN 116.A OD1 no hydrogen 2.969 N/A ILE 123.A N ALA 114.A O no hydrogen 2.948 N/A SER 125.A N ILE 123.A O no hydrogen 2.819 N/A VAL 127.A N GLU 305.A OE2 no hydrogen 3.012 N/A GLU 128.A N GLU 128.A OE1 no hydrogen 2.865 N/A ASP 129.A N PRO 126.A O no hydrogen 2.866 N/A VAL 130.A N PRO 126.A O no hydrogen 3.179 N/A TRP 131.A N VAL 127.A O no hydrogen 2.824 N/A TRP 131.A NE1 THR 165.A O no hydrogen 2.853 N/A ARG 132.A N GLU 128.A O no hydrogen 3.142 N/A GLN 133.A N VAL 130.A O no hydrogen 3.081 N/A GLN 133.A NE2 ALA 84.A O no hydrogen 2.940 N/A ASP 135.A N TRP 131.A O no hydrogen 2.920 N/A ALA 136.A N ARG 132.A O no hydrogen 3.125 N/A VAL 137.A N GLN 133.A O no hydrogen 3.089 N/A TYR 138.A N PHE 134.A O no hydrogen 3.003 N/A LYS 139.A N ASP 135.A O no hydrogen 2.976 N/A LYS 139.A NZ ASP 135.A OD1 no hydrogen 3.265 N/A LYS 139.A NZ ASP 135.A OD2 no hydrogen 2.795 N/A ALA 140.A N ALA 136.A O no hydrogen 2.960 N/A GLY 141.A N TYR 138.A O no hydrogen 2.968 N/A LEU 142.A N VAL 137.A O no hydrogen 3.177 N/A LYS 144.A N VAL 104.A O no hydrogen 2.926 N/A GLY 147.A N TYR 107.A O no hydrogen 3.019 N/A VAL 148.A N ASN 169.A O no hydrogen 2.994 N/A SER 149.A N ALA 109.A O no hydrogen 2.863 N/A SER 149.A OG ASN 150.A OD1 no hydrogen 3.320 N/A SER 149.A OG GLN 171.A O no hydrogen 2.762 N/A ASN 150.A N GLN 171.A O no hydrogen 3.201 N/A ASN 150.A ND2 TYR 197.A OH no hydrogen 2.762 N/A ASN 152.A N GLN 155.A OE1 no hydrogen 2.948 N/A ASN 152.A ND2 ALA 307.A O no hydrogen 2.992 N/A GLN 155.A N ASN 152.A OD1 no hydrogen 2.820 N/A GLN 155.A NE2 GLU 305.A O no hydrogen 2.946 N/A GLN 155.A NE2 GLU 305.A OE1 no hydrogen 3.080 N/A ILE 156.A N ASN 152.A O no hydrogen 3.102 N/A SER 157.A N ASN 153.A O no hydrogen 2.906 N/A SER 157.A OG ASN 153.A O no hydrogen 3.030 N/A ARG 158.A N ASP 154.A O no hydrogen 2.996 N/A ARG 158.A NE GLU 128.A OE2 no hydrogen 2.938 N/A ARG 158.A NH1 GLU 305.A OE1 no hydrogen 3.099 N/A ARG 158.A NH1 GLU 305.A OE2 no hydrogen 3.398 N/A ARG 158.A NH2 GLU 128.A OE1 no hydrogen 2.841 N/A ARG 158.A NH2 GLU 305.A OE2 no hydrogen 2.769 N/A ALA 159.A N GLN 155.A O no hydrogen 3.111 N/A LEU 160.A N ILE 156.A O no hydrogen 2.902 N/A ALA 161.A N SER 157.A O no hydrogen 2.951 N/A LEU 162.A N ALA 159.A O no hydrogen 3.301 N/A GLY 163.A N LEU 160.A O no hydrogen 3.131 N/A THR 165.A N ASP 135.A OD1 no hydrogen 2.967 N/A THR 165.A OG1 ASP 135.A OD1 no hydrogen 2.565 N/A HIS 168.A N VAL 146.A O no hydrogen 2.892 N/A HIS 168.A ND1 SER 7.A OG no hydrogen 3.269 N/A ASN 169.A ND2 SER 193.A OG no hydrogen 2.945 N/A ASN 169.A ND2 THR 195.A OG1 no hydrogen 2.995 N/A SER 170.A N SER 193.A O no hydrogen 2.902 N/A SER 170.A OG HIS 183.A NE2 no hydrogen 2.699 N/A GLN 171.A N VAL 148.A O no hydrogen 2.906 N/A VAL 172.A N THR 195.A O no hydrogen 2.960 N/A LEU 174.A N TYR 197.A O no hydrogen 3.208 N/A HIS 175.A N PHE 178.A O no hydrogen 3.296 N/A TYR 177.A N ASP 224.A OD2 no hydrogen 2.833 N/A TYR 177.A OH ASP 227.A OD1 no hydrogen 2.648 N/A PHE 178.A N HIS 175.A O no hydrogen 2.892 N/A GLN 180.A NE2 GLU 173.A O no hydrogen 2.809 N/A HIS 183.A ND1 ASN 153.A OD1 no hydrogen 2.863 N/A HIS 183.A NE2 SER 170.A OG no hydrogen 2.699 N/A VAL 184.A N GLN 180.A O no hydrogen 3.065 N/A ASP 185.A N HIS 181.A O no hydrogen 3.006 N/A PHE 186.A N ASP 182.A O no hydrogen 2.972 N/A CYS 187.A N HIS 183.A O no hydrogen 2.876 N/A CYS 187.A SG HIS 183.A O no hydrogen 3.440 N/A LYS 188.A N VAL 184.A O no hydrogen 2.922 N/A LYS 189.A N ASP 185.A O no hydrogen 3.106 N/A HIS 190.A N PHE 186.A O no hydrogen 3.294 N/A HIS 190.A N CYS 187.A O no hydrogen 3.139 N/A ASN 191.A N LYS 188.A O no hydrogen 3.189 N/A ILE 192.A N CYS 187.A O no hydrogen 2.771 N/A SER 193.A N HIS 168.A O no hydrogen 3.180 N/A SER 193.A OG HIS 168.A O no hydrogen 2.873 N/A THR 195.A N SER 170.A O no hydrogen 2.888 N/A SER 196.A N ALA 255.A O no hydrogen 2.876 N/A SER 196.A OG LEU 174.A O no hydrogen 2.602 N/A SER 196.A OG THR 199.A OG1 no hydrogen 2.876 N/A TYR 197.A N VAL 172.A O no hydrogen 2.959 N/A THR 199.A OG1 SER 196.A OG no hydrogen 2.876 N/A GLY 201.A N ALA 198.A O no hydrogen 3.025 N/A VAL 206.A N ALA 219.A O no hydrogen 2.887 N/A LEU 210.A N GLN 214.A O no hydrogen 2.890 N/A GLY 213.A N LEU 210.A O no hydrogen 2.719 N/A GLN 214.A N THR 212.A OG1 no hydrogen 3.362 N/A LEU 216.A N PHE 208.A O no hydrogen 2.808 N/A ALA 219.A N VAL 206.A O no hydrogen 2.919 N/A ALA 221.A N GLY 204.A O no hydrogen 3.091 N/A SER 223.A OG ALA 221.A O no hydrogen 2.900 N/A GLN 226.A N SER 223.A O no hydrogen 3.036 N/A GLN 226.A NE2 GLY 204.A O no hydrogen 3.093 N/A ASP 227.A N ASP 224.A O no hydrogen 3.187 N/A ASN 229.A ND2 GLU 287.A OE1 no hydrogen 3.564 N/A VAL 230.A N ASP 227.A OD2 no hydrogen 2.979 N/A LEU 231.A N ASP 227.A O no hydrogen 2.932 N/A ALA 232.A N GLN 228.A O no hydrogen 2.976 N/A LEU 233.A N ASN 229.A O no hydrogen 2.966 N/A ALA 234.A N VAL 230.A O no hydrogen 2.867 N/A GLU 235.A N LEU 231.A O no hydrogen 3.084 N/A LYS 236.A N ALA 232.A O no hydrogen 3.090 N/A THR 237.A N LEU 233.A O no hydrogen 3.006 N/A THR 237.A OG1 LEU 233.A O no hydrogen 2.760 N/A THR 237.A OG1 ALA 234.A O no hydrogen 3.342 N/A HIS 238.A N GLU 235.A O no hydrogen 3.334 N/A LYS 239.A N ALA 234.A O no hydrogen 2.985 N/A LYS 239.A NZ GLU 271.A O no hydrogen 2.829 N/A LYS 239.A NZ ASP 274.A OD1 no hydrogen 3.009 N/A LYS 239.A NZ ASP 274.A OD2 no hydrogen 3.148 N/A THR 240.A N GLN 243.A OE1 no hydrogen 2.898 N/A THR 240.A OG1 GLU 268.A OE2 no hydrogen 2.842 N/A GLN 243.A N THR 240.A OG1 no hydrogen 3.176 N/A GLN 243.A NE2 GLU 268.A O no hydrogen 2.973 N/A VAL 244.A N THR 240.A O no hydrogen 3.017 N/A LEU 245.A N PRO 241.A O no hydrogen 2.984 N/A LEU 246.A N ALA 242.A O no hydrogen 2.984 N/A ARG 247.A N GLN 243.A O no hydrogen 2.935 N/A ARG 247.A NE ASP 251.A OD2 no hydrogen 2.942 N/A ARG 247.A NH1 VAL 272.A O no hydrogen 2.865 N/A ARG 247.A NH2 ASP 251.A OD1 no hydrogen 3.003 N/A TYR 248.A N VAL 244.A O no hydrogen 2.858 N/A TYR 248.A OH GLU 286.A OE2 no hydrogen 2.622 N/A ALA 249.A N LEU 245.A O no hydrogen 3.287 N/A LEU 250.A N LEU 246.A O no hydrogen 3.023 N/A ASP 251.A N ARG 247.A O no hydrogen 2.857 N/A ARG 252.A N ALA 249.A O no hydrogen 3.135 N/A ARG 252.A NH1 PRO 179.A O no hydrogen 2.956 N/A ARG 252.A NH2 PRO 179.A O no hydrogen 2.957 N/A GLY 253.A N LEU 250.A O no hydrogen 2.936 N/A CYS 254.A N ALA 249.A O no hydrogen 3.200 N/A ALA 255.A N VAL 194.A O no hydrogen 2.870 N/A ILE 256.A N VAL 14.A O no hydrogen 2.771 N/A LEU 257.A N SER 196.A O no hydrogen 3.199 N/A ILE 266.A N GLN 262.A O no hydrogen 2.846 N/A LYS 267.A N GLU 263.A O no hydrogen 3.114 N/A GLU 268.A N ASN 264.A O no hydrogen 2.912 N/A ASN 269.A N ARG 265.A O no hydrogen 2.843 N/A ASN 269.A ND2 SER 260.A OG no hydrogen 2.783 N/A PHE 270.A N LYS 267.A O no hydrogen 3.274 N/A GLU 271.A N GLU 268.A O no hydrogen 3.116 N/A VAL 272.A N PHE 270.A O no hydrogen 2.936 N/A LEU 277.A N ASP 251.A OD2 no hydrogen 2.711 N/A THR 278.A N ASP 281.A OD2 no hydrogen 3.004 N/A ASP 281.A N THR 278.A OG1 no hydrogen 3.158 N/A ILE 282.A N THR 278.A O no hydrogen 2.964 N/A ALA 283.A N GLU 279.A O no hydrogen 2.925 N/A LYS 284.A N GLU 280.A O no hydrogen 2.945 N/A LYS 284.A NZ GLU 287.A OE2 no hydrogen 3.374 N/A LEU 285.A N ASP 281.A O no hydrogen 3.035 N/A GLU 286.A N ILE 282.A O no hydrogen 3.070 N/A GLU 286.A N ALA 283.A O no hydrogen 3.145 N/A GLU 287.A N LYS 284.A O no hydrogen 3.183 N/A LYS 289.A N GLU 286.A O no hydrogen 3.087 N/A ASN 290.A N SER 288.A OG no hydrogen 3.075 N/A GLN 292.A N TYR 177.A O no hydrogen 2.943 N/A ARG 293.A NE GLU 311.A OE1 no hydrogen 3.382 N/A ARG 293.A NE GLU 311.A OE2 no hydrogen 2.960 N/A ARG 293.A NH2 GLU 311.A OE1 no hydrogen 2.786 N/A LEU 294.A N GLU 173.A OE1 no hydrogen 3.243 N/A LEU 294.A N GLU 173.A OE2 no hydrogen 2.801 N/A PHE 295.A N GLU 173.A OE1 no hydrogen 2.927 N/A GLN 297.A NE2 TYR 197.A OH no hydrogen 3.268 N/A MET 300.A N GLN 297.A O no hydrogen 3.161 N/A THR 301.A N ASP 298.A O no hydrogen 2.987 N/A THR 301.A OG1 ASP 298.A O no hydrogen 2.592 N/A HIS 303.A N MET 300.A O no hydrogen 2.928 N/A HIS 303.A NE2 ALA 114.A O no hydrogen 2.786 N/A GLU 305.A N HIS 303.A ND1 no hydrogen 2.934 N/A ASP 306.A N HIS 303.A O no hydrogen 2.995 N/A PHE 308.A N ASP 306.A OD1 no hydrogen 3.043 N/A ALA 309.A N ASP 306.A O no hydrogen 3.220 N/A GLU 311.A N PHE 308.A O no hydrogen 2.788 N/A ARG 312.A N ALA 309.A O no hydrogen 3.240 N/A ARG 312.A NE ASP 306.A OD2 no hydrogen 2.785 N/A ARG 312.A NH1 LEU 296.A O no hydrogen 2.871 N/A ARG 312.A NH2 LEU 296.A O no hydrogen 3.094 N/A ARG 312.A NH2 GLN 297.A O no hydrogen 3.207 N/A ARG 312.A NH2 ASP 306.A OD1 no hydrogen 2.944 N/A ARG 312.A NH2 ASP 306.A OD2 no hydrogen 3.489 N/A