Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3vqh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 4.A N ALA 1.A O no hydrogen 3.232 N/A GLY 6.A N GLN 8.A OE1 no hydrogen 3.181 N/A GLU 9.A N GLY 6.A O no hydrogen 3.421 N/A VAL 11.A N GLU 7.A O no hydrogen 3.149 N/A LYS 12.A N GLN 8.A O no hydrogen 2.957 N/A LYS 12.A NZ GLU 9.A OE2 no hydrogen 2.867 N/A GLU 13.A N GLU 9.A O no hydrogen 2.855 N/A PHE 14.A N SER 10.A O no hydrogen 2.922 N/A LEU 15.A N VAL 11.A O no hydrogen 2.845 N/A ALA 16.A N LYS 12.A O no hydrogen 2.937 N/A LYS 17.A N GLU 13.A O no hydrogen 3.253 N/A ALA 18.A N PHE 14.A O no hydrogen 2.994 N/A LYS 19.A N LEU 15.A O no hydrogen 2.860 N/A LYS 19.A NZ SER 155.A O no hydrogen 2.918 N/A LYS 19.A NZ ASP 157.A OD2 no hydrogen 2.809 N/A GLU 20.A N ALA 16.A O no hydrogen 3.061 N/A ASP 21.A N LYS 17.A O no hydrogen 3.099 N/A PHE 22.A N ALA 18.A O no hydrogen 2.990 N/A LEU 23.A N LYS 19.A O no hydrogen 2.922 N/A LYS 24.A N GLU 20.A O no hydrogen 3.428 N/A TRP 26.A N PHE 22.A O no hydrogen 2.735 N/A GLU 27.A N LEU 23.A O no hydrogen 2.868 N/A SER 28.A N LYS 24.A O no hydrogen 3.096 N/A SER 28.A OG LYS 24.A O no hydrogen 3.567 N/A ALA 30.A N GLN 92.A OE1 no hydrogen 2.964 N/A GLN 31.A NE2 SER 342.A O no hydrogen 3.151 N/A GLN 31.A NE2 PHE 344.A O no hydrogen 2.825 N/A THR 33.A N SER 105.A O no hydrogen 2.821 N/A THR 33.A OG1 SER 105.A O no hydrogen 3.476 N/A HIS 35.A N GLN 38.A OE1 no hydrogen 3.014 N/A ASP 37.A N HIS 35.A ND1 no hydrogen 3.016 N/A GLN 38.A N HIS 35.A O no hydrogen 2.936 N/A PHE 39.A N LEU 36.A O no hydrogen 3.137 N/A GLU 40.A N LYS 57.A O no hydrogen 2.769 N/A ARG 41.A NH2 GLU 329.A OE2 no hydrogen 3.270 N/A ILE 42.A N LEU 55.A O no hydrogen 2.706 N/A LYS 43.A N LEU 55.A O no hydrogen 3.451 N/A LYS 43.A NZ ASP 324.A OD1 no hydrogen 2.750 N/A THR 44.A N GLU 327.A OE2 no hydrogen 2.825 N/A THR 44.A OG1 GLU 327.A OE1 no hydrogen 2.494 N/A LEU 45.A N VAL 53.A O no hydrogen 2.705 N/A GLY 46.A N VAL 53.A O no hydrogen 3.381 N/A GLY 48.A N GLY 51.A O no hydrogen 3.013 N/A ARG 52.A N ILE 69.A O no hydrogen 3.110 N/A ARG 52.A NH1 THR 44.A OG1 no hydrogen 2.890 N/A ARG 52.A NH1 GLU 326.A O no hydrogen 2.933 N/A VAL 53.A N GLY 46.A O no hydrogen 2.812 N/A MET 54.A N MET 67.A O no hydrogen 2.881 N/A LEU 55.A N LYS 43.A O no hydrogen 2.680 N/A VAL 56.A N TYR 65.A O no hydrogen 2.868 N/A LYS 57.A N GLU 40.A O no hydrogen 2.724 N/A HIS 58.A N ASN 63.A O no hydrogen 2.811 N/A HIS 58.A ND1 THR 61.A OG1 no hydrogen 2.880 N/A LYS 59.A N GLN 38.A O no hydrogen 2.876 N/A LYS 59.A NZ ASP 37.A O no hydrogen 2.735 N/A THR 61.A OG1 HIS 58.A ND1 no hydrogen 2.880 N/A GLY 62.A N HIS 58.A O no hydrogen 2.631 N/A ASN 63.A N THR 61.A OG1 no hydrogen 3.183 N/A TYR 65.A N VAL 56.A O no hydrogen 2.963 N/A ALA 66.A N MET 116.A O no hydrogen 2.896 N/A MET 67.A N MET 54.A O no hydrogen 2.791 N/A LYS 68.A N MET 114.A O no hydrogen 2.790 N/A LYS 68.A NZ GLU 87.A OE2 no hydrogen 2.691 N/A ILE 69.A N ARG 52.A O no hydrogen 2.780 N/A LEU 70.A N LEU 112.A O no hydrogen 2.859 N/A ASP 71.A N PHE 50.A O no hydrogen 2.804 N/A LYS 72.A N SER 110.A O no hydrogen 3.085 N/A LYS 72.A NZ ASP 108.A O no hydrogen 2.762 N/A LYS 72.A NZ ASN 109.A O no hydrogen 3.122 N/A LYS 72.A NZ LYS 336.A O no hydrogen 2.829 N/A LYS 74.A N ASP 71.A OD1 no hydrogen 3.267 N/A VAL 75.A N ASP 71.A O no hydrogen 2.953 N/A VAL 76.A N LYS 72.A O no hydrogen 2.979 N/A LYS 77.A N GLN 73.A O no hydrogen 3.000 N/A LEU 78.A N LYS 74.A O no hydrogen 3.044 N/A LYS 79.A N VAL 76.A O no hydrogen 2.845 N/A GLN 80.A N VAL 75.A O no hydrogen 2.930 N/A GLN 80.A NE2 LEU 78.A O no hydrogen 3.189 N/A HIS 83.A ND1 GLN 80.A OE1 no hydrogen 2.840 N/A THR 84.A N GLN 80.A O no hydrogen 2.897 N/A THR 84.A OG1 GLN 80.A O no hydrogen 3.001 N/A LEU 85.A N ILE 81.A O no hydrogen 2.975 N/A ASN 86.A N GLU 82.A O no hydrogen 2.787 N/A GLU 87.A N HIS 83.A O no hydrogen 2.857 N/A LYS 88.A N THR 84.A O no hydrogen 3.198 N/A LYS 88.A NZ ALA 30.A O no hydrogen 2.799 N/A LYS 88.A NZ PHE 344.A OXT no hydrogen 2.782 N/A ARG 89.A N LEU 85.A O no hydrogen 2.992 N/A ARG 89.A NE TRP 26.A O no hydrogen 2.913 N/A ARG 89.A NH2 TRP 26.A O no hydrogen 2.974 N/A ILE 90.A N ASN 86.A O no hydrogen 2.903 N/A LEU 91.A N GLU 87.A O no hydrogen 2.976 N/A GLN 92.A N LYS 88.A O no hydrogen 3.052 N/A GLN 92.A NE2 LYS 25.A O no hydrogen 2.833 N/A GLN 92.A NE2 ARG 89.A O no hydrogen 2.824 N/A ALA 93.A N ILE 90.A O no hydrogen 2.915 N/A VAL 94.A N ILE 90.A O no hydrogen 3.124 N/A ASN 95.A N TYR 152.A OH no hydrogen 2.922 N/A LEU 99.A N PHE 96.A O no hydrogen 3.083 N/A VAL 100.A N VAL 178.A O no hydrogen 3.224 N/A LYS 101.A N GLU 117.A OE2 no hydrogen 2.941 N/A LYS 101.A NZ ASN 95.A OD1 no hydrogen 2.795 N/A GLU 103.A N VAL 115.A O no hydrogen 2.700 N/A PHE 104.A N VAL 115.A O no hydrogen 3.139 N/A SER 105.A N THR 33.A OG1 no hydrogen 3.042 N/A PHE 106.A N TYR 113.A O no hydrogen 3.169 N/A LYS 107.A NZ PHE 341.A O no hydrogen 2.782 N/A LYS 107.A NZ PHE 344.A O no hydrogen 2.988 N/A ASP 108.A N ASN 111.A O no hydrogen 3.050 N/A SER 110.A N ASP 108.A OD1 no hydrogen 2.929 N/A ASN 111.A N ASP 108.A OD1 no hydrogen 2.815 N/A ASN 111.A ND2 TYR 113.A OH no hydrogen 3.152 N/A LEU 112.A N LEU 70.A O no hydrogen 2.793 N/A TYR 113.A N PHE 106.A O no hydrogen 2.813 N/A TYR 113.A OH ASP 108.A OD2 no hydrogen 2.541 N/A MET 114.A N LYS 68.A O no hydrogen 2.969 N/A VAL 115.A N PHE 104.A O no hydrogen 2.884 N/A MET 116.A N ALA 66.A O no hydrogen 2.840 N/A GLU 117.A N LYS 101.A O no hydrogen 2.999 N/A TYR 118.A OH ASP 318.A O no hydrogen 2.670 N/A MET 124.A N LEU 168.A O no hydrogen 2.769 N/A PHE 125.A N PRO 165.A O no hydrogen 3.157 N/A SER 126.A N GLU 123.A O no hydrogen 2.988 N/A HIS 127.A N GLU 123.A O no hydrogen 3.457 N/A HIS 127.A NE2 GLY 121.A O no hydrogen 2.635 N/A LEU 128.A N MET 124.A O no hydrogen 2.798 N/A ARG 129.A N PHE 125.A O no hydrogen 2.978 N/A ARG 129.A NH1 GLU 225.A OE2 no hydrogen 2.872 N/A ARG 129.A NH2 GLU 225.A OE2 no hydrogen 2.725 N/A ARG 130.A N SER 126.A O no hydrogen 3.160 N/A ILE 131.A N HIS 127.A O no hydrogen 2.881 N/A GLY 132.A N LEU 128.A O no hydrogen 2.825 N/A PHE 134.A N MET 226.A O no hydrogen 2.769 N/A HIS 138.A N SER 135.A OG no hydrogen 3.167 N/A HIS 138.A NE2 TYR 142.A OH no hydrogen 2.922 N/A ALA 139.A N SER 135.A O no hydrogen 2.885 N/A ARG 140.A N GLU 136.A O no hydrogen 2.835 N/A ARG 140.A NE TRP 291.A O no hydrogen 2.767 N/A ARG 140.A NH2 TRP 291.A O no hydrogen 3.200 N/A PHE 141.A N PRO 137.A O no hydrogen 3.121 N/A TYR 142.A N HIS 138.A O no hydrogen 3.325 N/A TYR 142.A OH HIS 138.A NE2 no hydrogen 2.922 N/A ALA 143.A N ALA 139.A O no hydrogen 2.798 N/A ALA 144.A N ARG 140.A O no hydrogen 2.888 N/A GLN 145.A NE2 PHE 141.A O no hydrogen 3.008 N/A ILE 146.A N TYR 142.A O no hydrogen 3.231 N/A VAL 147.A N ALA 143.A O no hydrogen 2.878 N/A LEU 148.A N ALA 144.A O no hydrogen 3.089 N/A THR 149.A N GLN 145.A O no hydrogen 2.958 N/A THR 149.A OG1 GLN 145.A O no hydrogen 2.759 N/A PHE 150.A N ILE 146.A O no hydrogen 2.774 N/A GLU 151.A N VAL 147.A O no hydrogen 2.879 N/A TYR 152.A N LEU 148.A O no hydrogen 2.877 N/A LEU 153.A N THR 149.A O no hydrogen 2.846 N/A HIS 154.A N PHE 150.A O no hydrogen 2.836 N/A HIS 154.A NE2 ASP 215.A OD2 no hydrogen 2.866 N/A SER 155.A N GLU 151.A O no hydrogen 3.173 N/A SER 155.A OG TYR 152.A O no hydrogen 2.695 N/A LEU 156.A N LEU 153.A O no hydrogen 2.963 N/A ASP 157.A N HIS 154.A O no hydrogen 2.953 N/A LEU 158.A N LEU 153.A O no hydrogen 3.141 N/A ILE 159.A N LYS 185.A O no hydrogen 2.876 N/A TYR 160.A N ASP 215.A OD2 no hydrogen 2.838 N/A TYR 160.A OH THR 179.A O no hydrogen 2.564 N/A TYR 160.A OH ASP 180.A O no hydrogen 3.187 N/A ARG 161.A N ASP 215.A OD1 no hydrogen 2.847 N/A ARG 161.A NE PHE 183.A O no hydrogen 2.666 N/A ARG 161.A NH1 TYR 210.A OH no hydrogen 2.896 N/A ARG 161.A NH2 PHE 183.A O no hydrogen 2.893 N/A LYS 164.A NZ THR 196.A OG1 no hydrogen 2.700 N/A GLU 166.A N GLU 166.A OE1 no hydrogen 2.734 N/A ASN 167.A N LYS 164.A O no hydrogen 2.997 N/A ASN 167.A ND2 ASP 162.A O no hydrogen 2.965 N/A ASN 167.A ND2 ASP 162.A OD2 no hydrogen 2.967 N/A LEU 168.A N PRO 165.A O no hydrogen 3.334 N/A LEU 169.A N GLN 177.A O no hydrogen 2.899 N/A ILE 170.A N GLY 122.A O no hydrogen 2.979 N/A ASP 171.A N TYR 175.A O no hydrogen 2.898 N/A GLN 172.A NE2 PRO 311.A O no hydrogen 2.956 N/A GLN 173.A N ASP 171.A OD1 no hydrogen 2.828 N/A GLY 174.A N ASP 171.A O no hydrogen 2.899 N/A TYR 175.A N ASP 171.A OD1 no hydrogen 2.920 N/A TYR 175.A OH VAL 305.A O no hydrogen 2.506 N/A ILE 176.A N GLN 145.A OE1 no hydrogen 2.748 N/A GLN 177.A N LEU 169.A O no hydrogen 2.795 N/A VAL 178.A N PHE 98.A O no hydrogen 2.733 N/A THR 179.A N ASN 167.A O no hydrogen 2.913 N/A THR 179.A OG1 ASN 167.A O no hydrogen 3.151 N/A THR 179.A OG1 ASP 180.A OD2 no hydrogen 2.881 N/A ALA 184.A N PHE 181.A O no hydrogen 3.081 N/A LYS 185.A N ILE 159.A O no hydrogen 2.988 N/A LYS 185.A NZ THR 191.A OG1 no hydrogen 2.849 N/A ARG 186.A NE LEU 156.A O no hydrogen 2.920 N/A ARG 186.A NH2 ASP 157.A OD2 no hydrogen 3.107 N/A VAL 187.A N ASP 157.A O no hydrogen 2.932 N/A THR 191.A N TYR 210.A O no hydrogen 2.873 N/A THR 196.A OG1 ASP 162.A OD1 no hydrogen 3.010 N/A GLU 198.A N GLU 198.A OE1 no hydrogen 2.784 N/A TYR 199.A N THR 196.A O no hydrogen 2.849 N/A TYR 199.A OH GLU 225.A OE1 no hydrogen 2.739 N/A LEU 200.A N PRO 197.A O no hydrogen 3.313 N/A GLU 203.A N GLU 203.A OE1 no hydrogen 2.847 N/A ILE 204.A N ALA 201.A O no hydrogen 2.997 N/A ILE 205.A N ALA 201.A O no hydrogen 3.346 N/A LEU 206.A N PRO 202.A O no hydrogen 2.863 N/A SER 207.A N ILE 204.A O no hydrogen 3.238 N/A LYS 208.A N GLU 203.A O no hydrogen 3.034 N/A TYR 210.A N THR 191.A O no hydrogen 2.837 N/A LYS 212.A NZ HIS 154.A O no hydrogen 3.154 N/A ALA 213.A N ASN 211.A OD1 no hydrogen 2.987 N/A VAL 214.A N ASN 211.A O no hydrogen 3.076 N/A ASP 215.A N LYS 212.A O no hydrogen 3.025 N/A TRP 217.A N ALA 213.A O no hydrogen 3.170 N/A ALA 218.A N VAL 214.A O no hydrogen 2.996 N/A LEU 219.A N ASP 215.A O no hydrogen 2.929 N/A GLY 220.A N TRP 216.A O no hydrogen 3.130 N/A VAL 221.A N TRP 217.A O no hydrogen 3.094 N/A LEU 222.A N ALA 218.A O no hydrogen 2.932 N/A ILE 223.A N LEU 219.A O no hydrogen 2.932 N/A TYR 224.A N GLY 220.A O no hydrogen 3.006 N/A TYR 224.A OH ARG 251.A O no hydrogen 2.457 N/A GLU 225.A N VAL 221.A O no hydrogen 2.848 N/A MET 226.A N LEU 222.A O no hydrogen 2.843 N/A ALA 227.A N ILE 223.A O no hydrogen 2.999 N/A ALA 228.A N TYR 224.A O no hydrogen 2.794 N/A GLY 229.A N GLU 225.A O no hydrogen 2.807 N/A GLN 237.A N GLN 240.A OE1 no hydrogen 3.089 N/A ILE 241.A N GLN 237.A O no hydrogen 3.267 N/A TYR 242.A N PRO 238.A O no hydrogen 2.962 N/A GLU 243.A N ILE 239.A O no hydrogen 3.148 N/A LYS 244.A N GLN 240.A O no hydrogen 3.257 N/A LYS 244.A NZ PHE 234.A O no hydrogen 3.211 N/A ILE 245.A N ILE 241.A O no hydrogen 2.909 N/A VAL 246.A N TYR 242.A O no hydrogen 2.948 N/A SER 247.A N GLU 243.A O no hydrogen 3.083 N/A SER 247.A N LYS 244.A O no hydrogen 3.306 N/A SER 247.A OG LYS 244.A O no hydrogen 3.026 N/A LYS 249.A N SER 247.A OG no hydrogen 3.341 N/A PHE 256.A N PRO 253.A O no hydrogen 3.105 N/A SER 257.A N GLU 136.A OE2 no hydrogen 2.730 N/A SER 257.A OG GLU 136.A OE1 no hydrogen 2.602 N/A SER 257.A OG GLU 136.A OE2 no hydrogen 3.479 N/A LEU 260.A N SER 257.A OG no hydrogen 3.106 N/A LYS 261.A N SER 257.A O no hydrogen 2.957 N/A ASP 262.A N SER 258.A O no hydrogen 2.998 N/A LEU 263.A N ASP 259.A O no hydrogen 2.975 N/A LEU 264.A N LEU 260.A O no hydrogen 3.027 N/A ARG 265.A N LYS 261.A O no hydrogen 2.915 N/A ASN 266.A N ASP 262.A O no hydrogen 3.179 N/A LEU 267.A N LEU 263.A O no hydrogen 3.008 N/A LEU 267.A N LEU 264.A O no hydrogen 3.210 N/A LEU 268.A N LEU 264.A O no hydrogen 2.747 N/A ASP 271.A N GLN 269.A OE1 no hydrogen 2.973 N/A THR 273.A N ASP 271.A OD1 no hydrogen 3.075 N/A THR 273.A OG1 ASP 271.A OD1 no hydrogen 2.849 N/A THR 273.A OG1 ASP 271.A OD2 no hydrogen 3.264 N/A LYS 274.A N ASP 271.A O no hydrogen 2.819 N/A ARG 275.A NE GLN 269.A O no hydrogen 2.763 N/A ARG 275.A NH1 GLU 203.A OE2 no hydrogen 2.730 N/A ARG 275.A NH1 ALA 213.A O no hydrogen 3.003 N/A ARG 275.A NH2 GLU 203.A OE1 no hydrogen 3.004 N/A ARG 275.A NH2 GLU 203.A OE2 no hydrogen 3.513 N/A ARG 275.A NH2 GLN 269.A O no hydrogen 2.930 N/A PHE 276.A N ASN 266.A O no hydrogen 2.818 N/A ASN 278.A N ARG 275.A O no hydrogen 2.935 N/A ASN 278.A ND2 LEU 272.A O no hydrogen 2.931 N/A LYS 280.A NZ ASN 281.A OD1 no hydrogen 2.817 N/A ASN 281.A ND2 ASP 285.A OD1 no hydrogen 2.838 N/A GLY 282.A N LEU 279.A O no hydrogen 2.808 N/A ASN 284.A N ASN 281.A O no hydrogen 3.119 N/A ASN 284.A ND2 ASN 281.A O no hydrogen 3.549 N/A ASP 285.A N GLY 282.A O no hydrogen 3.349 N/A ILE 286.A N VAL 283.A O no hydrogen 2.830 N/A LYS 287.A N VAL 283.A O no hydrogen 2.977 N/A LYS 287.A NZ GLU 151.A OE1 no hydrogen 2.772 N/A ASN 288.A N ASN 284.A O no hydrogen 3.025 N/A HIS 289.A N ILE 286.A O no hydrogen 3.033 N/A HIS 289.A NE2 ASP 262.A OD2 no hydrogen 2.537 N/A TRP 291.A N HIS 289.A ND1 no hydrogen 3.000 N/A TRP 291.A NE1 GLU 136.A OE1 no hydrogen 2.997 N/A PHE 292.A N HIS 289.A O no hydrogen 2.831 N/A ALA 293.A N LYS 290.A O no hydrogen 2.894 N/A THR 295.A N PHE 292.A O no hydrogen 2.875 N/A TRP 297.A NE1 LYS 287.A O no hydrogen 3.158 N/A ALA 299.A N ASP 296.A OD1 no hydrogen 3.296 N/A ILE 300.A N ASP 296.A O no hydrogen 3.029 N/A TYR 301.A N TRP 297.A O no hydrogen 3.012 N/A GLN 302.A N ILE 298.A O no hydrogen 2.878 N/A ARG 303.A N ILE 300.A O no hydrogen 2.857 N/A ARG 303.A NH1 ASP 171.A OD2 no hydrogen 2.974 N/A ARG 303.A NH2 PRO 97.A O no hydrogen 3.309 N/A ARG 303.A NH2 ASP 171.A OD2 no hydrogen 2.692 N/A LYS 304.A N ALA 299.A O no hydrogen 2.834 N/A LYS 304.A NZ GLN 302.A OE1 no hydrogen 3.385 N/A LYS 314.A N ASP 318.A OD2 no hydrogen 3.376 N/A SER 320.A N ASP 318.A OD1 no hydrogen 3.056 N/A SER 320.A OG ASP 318.A OD1 no hydrogen 3.194 N/A SER 320.A OG ASP 318.A OD2 no hydrogen 3.235 N/A ASN 321.A ND2 PRO 120.A O no hydrogen 3.080 N/A ASN 321.A ND2 LYS 312.A O no hydrogen 2.898 N/A PHE 322.A N THR 319.A O no hydrogen 2.860 N/A ILE 330.A N GLU 329.A OE2 no hydrogen 3.238 N/A LYS 336.A N ASN 109.A O no hydrogen 2.850 N/A GLU 340.A N GLU 340.A OE1 no hydrogen 2.731 N/A PHE 341.A N GLY 338.A O no hydrogen 3.294 N/A SER 342.A N LYS 339.A O no hydrogen 3.329 N/A SER 342.A OG LYS 339.A O no hydrogen 3.160 N/A PHE 344.A N PHE 341.A O no hydrogen 3.034 N/A