Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2hgx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG PHE 3.A O no hydrogen 3.211 N/A LYS 4.A NZ SER 2.A O no hydrogen 3.436 N/A ALA 5.A N GLU 114.A OE2 no hydrogen 2.838 N/A ASP 7.A N LYS 4.A O no hydrogen 3.109 N/A LEU 8.A N ALA 5.A O no hydrogen 3.310 N/A GLN 9.A N PRO 49.A O no hydrogen 2.805 N/A GLN 9.A NE2 GLN 48.A OE1 no hydrogen 2.999 N/A GLU 11.A N ILE 51.A O no hydrogen 2.931 N/A THR 13.A N HIS 35.A NE2 no hydrogen 2.948 N/A THR 13.A OG1 GLN 14.A O no hydrogen 3.346 N/A HIS 17.A N ASP 34.A OD1 no hydrogen 3.059 N/A GLU 24.A N GLY 21.A O no hydrogen 3.426 N/A THR 33.A N LEU 165.A O no hydrogen 3.151 N/A THR 33.A OG1 HIS 35.A O no hydrogen 3.334 N/A THR 33.A OG1 ASP 126.A OD2 no hydrogen 2.989 N/A HIS 35.A N ASP 126.A OD2 no hydrogen 2.953 N/A HIS 35.A ND1 ASP 126.A OD1 no hydrogen 2.811 N/A MET 36.A N GLN 52.A O no hydrogen 2.996 N/A LEU 37.A N VAL 163.A O no hydrogen 3.061 N/A MET 38.A N ARG 50.A O no hydrogen 2.816 N/A VAL 39.A N LEU 161.A O no hydrogen 2.768 N/A TRP 41.A N ALA 159.A O no hydrogen 2.849 N/A ASN 42.A N GLY 45.A O no hydrogen 3.246 N/A LYS 44.A N ASN 42.A OD1 no hydrogen 2.988 N/A GLY 45.A N ASN 42.A O no hydrogen 2.888 N/A TRP 46.A NE1 SER 109.A O no hydrogen 2.742 N/A GLY 47.A N GLU 40.A O no hydrogen 2.838 N/A GLN 48.A NE2 ASP 7.A O no hydrogen 2.781 N/A ARG 50.A N MET 38.A O no hydrogen 2.820 N/A ARG 50.A NH1 GLU 40.A OE2 no hydrogen 2.670 N/A ILE 51.A N GLN 9.A O no hydrogen 2.923 N/A GLN 52.A N MET 36.A O no hydrogen 3.058 N/A PHE 54.A N ASP 34.A O no hydrogen 2.801 N/A GLN 55.A NE2 PRO 53.A O no hydrogen 3.054 N/A ALA 62.A N HIS 60.A ND1 no hydrogen 3.132 N/A SER 63.A N HIS 60.A O no hydrogen 3.006 N/A SER 63.A OG SER 65.A OG no hydrogen 2.806 N/A SER 63.A OG GLY 146.A O no hydrogen 3.416 N/A SER 63.A OG ASN 147.A OD1 no hydrogen 2.750 N/A SER 64.A N GLU 148.A O no hydrogen 3.217 N/A SER 65.A OG SER 63.A OG no hydrogen 2.806 N/A LEU 66.A N SER 63.A O no hydrogen 2.965 N/A HIS 67.A NE2 PRO 61.A O no hydrogen 2.682 N/A TYR 68.A N SER 64.A O no hydrogen 3.118 N/A TYR 68.A OH LEU 151.A O no hydrogen 2.518 N/A LEU 70.A N SER 64.A O no hydrogen 3.460 N/A LEU 72.A N LEU 144.A O no hydrogen 3.055 N/A PHE 73.A N LYS 194.A O no hydrogen 3.103 N/A GLU 74.A N PRO 142.A O no hydrogen 2.950 N/A GLY 75.A N GLU 74.A OE2 no hydrogen 3.345 N/A MET 76.A N VAL 140.A O no hydrogen 3.213 N/A LYS 77.A NZ THR 305.A O no hydrogen 2.886 N/A LYS 77.A NZ ALA 306.A O no hydrogen 3.170 N/A ALA 78.A N LEU 138.A O no hydrogen 2.838 N/A PHE 79.A N ARG 87.A O no hydrogen 2.752 N/A LYS 80.A NZ LYS 127.A O no hydrogen 3.001 N/A LYS 80.A NZ VAL 130.A O no hydrogen 2.868 N/A GLY 81.A N GLN 85.A O no hydrogen 3.063 N/A GLN 84.A N GLY 81.A O no hydrogen 3.211 N/A ARG 87.A N PHE 79.A O no hydrogen 2.855 N/A LEU 88.A N PHE 355.A O no hydrogen 2.817 N/A PHE 89.A N LYS 77.A O no hydrogen 3.157 N/A ARG 90.A N TRP 353.A O no hydrogen 2.905 N/A ARG 90.A NH1 SER 265.A OG no hydrogen 3.224 N/A ARG 90.A NH1 ASP 268.A OD1 no hydrogen 3.033 N/A ARG 90.A NH2 ASP 268.A OD1 no hydrogen 3.538 N/A LEU 93.A N ARG 90.A O no hydrogen 3.199 N/A ASN 94.A ND2 ARG 90.A O no hydrogen 3.419 N/A MET 95.A N PRO 91.A O no hydrogen 3.037 N/A ASP 96.A N TRP 92.A O no hydrogen 3.030 N/A ARG 97.A N LEU 93.A O no hydrogen 3.054 N/A ARG 97.A NE GLU 74.A OE1 no hydrogen 2.804 N/A ARG 97.A NH1 PRO 259.A O no hydrogen 2.942 N/A ARG 97.A NH2 GLU 74.A OE1 no hydrogen 3.567 N/A ARG 97.A NH2 GLU 74.A OE2 no hydrogen 2.743 N/A MET 98.A N ASN 94.A O no hydrogen 2.910 N/A LEU 99.A N MET 95.A O no hydrogen 3.137 N/A ARG 100.A N ASP 96.A O no hydrogen 3.202 N/A SER 101.A N ARG 97.A O no hydrogen 2.962 N/A SER 101.A OG ARG 97.A O no hydrogen 3.209 N/A ALA 102.A N MET 98.A O no hydrogen 2.954 N/A MET 103.A N LEU 99.A O no hydrogen 3.026 N/A ARG 104.A N ARG 100.A O no hydrogen 3.148 N/A ARG 104.A NH1 ARG 104.A O no hydrogen 2.871 N/A LEU 105.A N SER 101.A O no hydrogen 3.284 N/A LEU 105.A N ALA 102.A O no hydrogen 3.237 N/A CYS 106.A N MET 103.A O no hydrogen 3.224 N/A LEU 107.A N ALA 102.A O no hydrogen 2.895 N/A ASP 111.A N SER 2.A OG no hydrogen 2.881 N/A LYS 112.A NZ ASP 96.A OD2 no hydrogen 2.842 N/A LEU 113.A N ASP 111.A OD2 no hydrogen 3.113 N/A GLU 114.A N ASP 111.A O no hydrogen 3.162 N/A GLU 114.A N ASP 111.A OD2 no hydrogen 3.280 N/A LEU 115.A N ASP 111.A O no hydrogen 3.145 N/A LEU 116.A N LYS 112.A O no hydrogen 3.092 N/A GLU 117.A N LEU 113.A O no hydrogen 3.092 N/A CYS 118.A N GLU 114.A O no hydrogen 3.052 N/A CYS 118.A SG GLU 114.A O no hydrogen 3.218 N/A ILE 119.A N LEU 115.A O no hydrogen 2.879 N/A ARG 120.A N LEU 116.A O no hydrogen 2.879 N/A ARG 120.A NE GLU 117.A OE1 no hydrogen 3.311 N/A ARG 120.A NE GLU 117.A OE2 no hydrogen 3.208 N/A ARG 120.A NH1 GLU 124.A OE2 no hydrogen 2.955 N/A ARG 120.A NH1 VAL 357.A O no hydrogen 2.927 N/A ARG 120.A NH2 GLU 117.A OE2 no hydrogen 2.904 N/A ARG 121.A N GLU 117.A O no hydrogen 2.970 N/A LEU 122.A N CYS 118.A O no hydrogen 3.073 N/A ILE 123.A N ILE 119.A O no hydrogen 2.965 N/A GLU 124.A N ARG 120.A O no hydrogen 2.862 N/A VAL 125.A N ARG 121.A O no hydrogen 3.171 N/A ASP 126.A N LEU 122.A O no hydrogen 3.153 N/A TRP 129.A N ASP 126.A O no hydrogen 3.094 N/A TRP 129.A NE1 ASP 34.A OD2 no hydrogen 3.051 N/A VAL 130.A N LYS 127.A O no hydrogen 3.400 N/A THR 136.A N ALA 133.A O no hydrogen 3.281 N/A THR 136.A OG1 ALA 133.A O no hydrogen 2.745 N/A SER 137.A N VAL 168.A O no hydrogen 3.020 N/A LEU 138.A N ALA 78.A O no hydrogen 2.930 N/A TYR 139.A N CYS 166.A O no hydrogen 2.701 N/A VAL 140.A N MET 76.A O no hydrogen 2.728 N/A ARG 141.A N ILE 164.A O no hydrogen 2.883 N/A ARG 141.A NE GLU 74.A O no hydrogen 2.998 N/A ARG 141.A NH2 TYR 139.A OH no hydrogen 2.769 N/A VAL 143.A N PHE 162.A O no hydrogen 2.755 N/A LEU 144.A N LEU 72.A O no hydrogen 3.125 N/A ILE 145.A N LEU 160.A O no hydrogen 2.875 N/A GLY 146.A N LEU 70.A O no hydrogen 2.733 N/A ASN 147.A N ARG 158.A O no hydrogen 2.746 N/A GLY 152.A N SER 150.A OG no hydrogen 3.132 N/A ALA 159.A N TRP 41.A O no hydrogen 2.910 N/A LEU 160.A N ILE 145.A O no hydrogen 2.968 N/A LEU 161.A N VAL 39.A O no hydrogen 2.808 N/A PHE 162.A N VAL 143.A O no hydrogen 2.927 N/A VAL 163.A N LEU 37.A O no hydrogen 3.102 N/A ILE 164.A N ARG 141.A O no hydrogen 3.116 N/A CYS 166.A N TYR 139.A O no hydrogen 2.831 N/A CYS 166.A SG THR 31.A O no hydrogen 3.591 N/A VAL 168.A N SER 137.A O no hydrogen 2.861 N/A VAL 174.A N PRO 311.A O no hydrogen 2.892 N/A SER 175.A N GLU 215.A OE2 no hydrogen 3.142 N/A SER 175.A OG GLU 215.A OE2 no hydrogen 3.286 N/A LEU 176.A N ARG 314.A O no hydrogen 2.806 N/A LEU 177.A N GLN 216.A O no hydrogen 2.969 N/A ALA 178.A N LEU 316.A O no hydrogen 2.837 N/A ALA 181.A N ASP 179.A OD2 no hydrogen 3.124 N/A PHE 182.A N ASP 179.A O no hydrogen 3.371 N/A ARG 184.A NH2 GLY 191.A O no hydrogen 2.817 N/A ARG 184.A NH2 VAL 256.A O no hydrogen 3.066 N/A VAL 187.A N TYR 221.A OH no hydrogen 3.135 N/A GLY 189.A N TRP 186.A O no hydrogen 2.851 N/A TYR 193.A N VAL 190.A O no hydrogen 3.226 N/A LYS 194.A N SER 101.A OG no hydrogen 3.344 N/A GLY 196.A N GLN 71.A O no hydrogen 3.276 N/A ASN 198.A N LEU 195.A O no hydrogen 3.104 N/A TYR 199.A N GLY 196.A O no hydrogen 3.005 N/A THR 202.A N TYR 199.A O no hydrogen 3.047 N/A THR 202.A OG1 TYR 199.A O no hydrogen 2.635 N/A VAL 203.A N GLY 200.A O no hydrogen 3.281 N/A GLN 206.A N THR 202.A O no hydrogen 2.927 N/A GLN 207.A N VAL 203.A O no hydrogen 3.132 N/A GLU 208.A N LEU 204.A O no hydrogen 2.995 N/A ALA 209.A N VAL 205.A O no hydrogen 3.007 N/A LEU 210.A N GLN 206.A O no hydrogen 3.058 N/A LYS 211.A N GLN 207.A O no hydrogen 2.918 N/A ARG 212.A N GLU 208.A O no hydrogen 3.071 N/A ARG 212.A N ALA 209.A O no hydrogen 3.170 N/A ARG 212.A NH1 ASP 179.A OD1 no hydrogen 2.678 N/A ARG 212.A NH2 ASP 319.A OD1 no hydrogen 3.483 N/A GLY 213.A N LEU 210.A O no hydrogen 3.114 N/A CYS 214.A N ALA 209.A O no hydrogen 2.778 N/A CYS 214.A SG ARG 212.A O no hydrogen 4.009 N/A GLU 215.A N SER 175.A O no hydrogen 2.971 N/A GLU 215.A N SER 175.A OG no hydrogen 3.113 N/A GLN 216.A N SER 175.A O no hydrogen 3.054 N/A LEU 218.A N LEU 177.A O no hydrogen 2.846 N/A TRP 219.A N GLU 229.A O no hydrogen 2.858 N/A TYR 221.A N GLN 226.A O no hydrogen 2.951 N/A ASP 224.A N ASP 224.A OD1 no hydrogen 2.663 N/A HIS 225.A N GLY 222.A O no hydrogen 3.320 N/A HIS 225.A ND1 TYR 317.A OH no hydrogen 2.681 N/A GLN 226.A N TYR 221.A O no hydrogen 2.786 N/A LEU 227.A N ILE 283.A O no hydrogen 2.833 N/A THR 228.A N TRP 219.A O no hydrogen 2.897 N/A THR 228.A OG1 TRP 219.A O no hydrogen 2.776 N/A VAL 230.A N MET 233.A O no hydrogen 2.824 N/A GLY 231.A N VAL 217.A O no hydrogen 2.798 N/A MET 233.A N VAL 230.A O no hydrogen 2.787 N/A ASN 234.A N SER 303.A O no hydrogen 2.853 N/A PHE 236.A N PHE 301.A O no hydrogen 2.870 N/A VAL 237.A N VAL 249.A O no hydrogen 2.982 N/A TYR 238.A N GLU 299.A O no hydrogen 2.731 N/A TRP 239.A N GLU 247.A O no hydrogen 2.996 N/A TRP 239.A NE1 GLU 247.A OE2 no hydrogen 2.811 N/A THR 240.A N ARG 296.A O no hydrogen 3.004 N/A HIS 241.A N VAL 245.A O no hydrogen 2.906 N/A GLY 244.A N HIS 241.A O no hydrogen 2.885 N/A GLU 247.A N TRP 239.A O no hydrogen 2.777 N/A LEU 248.A N ARG 277.A O no hydrogen 2.866 N/A VAL 249.A N VAL 237.A O no hydrogen 2.955 N/A THR 250.A N VAL 279.A O no hydrogen 3.280 N/A THR 250.A OG1 ILE 235.A O no hydrogen 2.657 N/A ASN 254.A N PRO 252.A O no hydrogen 3.001 N/A LEU 258.A N GLU 229.A OE2 no hydrogen 2.990 N/A ARG 263.A NH2 PRO 251.A O no hydrogen 2.937 N/A ARG 263.A NH2 GLU 280.A OE1 no hydrogen 2.825 N/A GLN 264.A N GLY 260.A O no hydrogen 3.075 N/A SER 265.A N VAL 261.A O no hydrogen 3.004 N/A SER 265.A OG VAL 261.A O no hydrogen 2.699 N/A LEU 266.A N VAL 262.A O no hydrogen 2.855 N/A LEU 267.A N ARG 263.A O no hydrogen 3.145 N/A ASP 268.A N GLN 264.A O no hydrogen 2.945 N/A MET 269.A N SER 265.A O no hydrogen 2.933 N/A ALA 270.A N LEU 266.A O no hydrogen 2.970 N/A GLN 271.A N LEU 267.A O no hydrogen 3.029 N/A THR 272.A N ASP 268.A O no hydrogen 3.095 N/A THR 272.A OG1 ASP 268.A O no hydrogen 2.814 N/A TRP 273.A N MET 269.A O no hydrogen 3.265 N/A TRP 273.A NE1 GLU 340.A OE1 no hydrogen 2.949 N/A ARG 277.A N LEU 246.A O no hydrogen 3.128 N/A ARG 277.A NE GLU 247.A OE1 no hydrogen 2.958 N/A ARG 277.A NH1 ASP 243.A OD1 no hydrogen 2.872 N/A ARG 277.A NH2 ASP 243.A OD1 no hydrogen 3.239 N/A ARG 277.A NH2 ASP 243.A OD2 no hydrogen 3.038 N/A ARG 277.A NH2 GLU 247.A OE1 no hydrogen 2.871 N/A VAL 279.A N LEU 248.A O no hydrogen 3.012 N/A ARG 281.A N THR 250.A O no hydrogen 2.931 N/A ARG 281.A NH1 GLU 247.A OE1 no hydrogen 3.136 N/A ARG 281.A NH1 GLU 247.A OE2 no hydrogen 3.458 N/A ARG 281.A NH2 GLU 247.A OE2 no hydrogen 2.729 N/A MET 285.A N HIS 225.A O no hydrogen 3.078 N/A GLN 287.A N THR 284.A OG1 no hydrogen 3.226 N/A GLN 287.A NE2 THR 282.A O.A no hydrogen 3.518 N/A GLN 287.A NE2 THR 282.A O.B no hydrogen 3.577 N/A LEU 288.A N THR 284.A O no hydrogen 3.056 N/A LEU 289.A N MET 285.A O no hydrogen 2.854 N/A ARG 290.A N LYS 286.A O no hydrogen 3.155 N/A ALA 291.A N GLN 287.A O no hydrogen 3.065 N/A LEU 292.A N LEU 288.A O no hydrogen 2.888 N/A GLU 293.A N LEU 289.A O no hydrogen 3.149 N/A GLU 294.A N ARG 290.A O no hydrogen 3.126 N/A GLY 295.A N LEU 292.A O no hydrogen 3.284 N/A ARG 296.A N ALA 291.A O no hydrogen 2.777 N/A ARG 296.A NE GLU 294.A OE2 no hydrogen 2.802 N/A ARG 296.A NH1 THR 240.A O no hydrogen 2.767 N/A ARG 296.A NH2 GLU 294.A OE2 no hydrogen 3.026 N/A ARG 298.A N TYR 238.A O no hydrogen 2.925 N/A GLU 299.A N TYR 238.A O no hydrogen 3.136 N/A VAL 300.A N THR 326.A OG1 no hydrogen 3.131 N/A PHE 301.A N PHE 236.A O no hydrogen 3.031 N/A GLY 302.A N CYS 310.A O no hydrogen 2.889 N/A SER 303.A N ASN 234.A O no hydrogen 2.809 N/A GLY 304.A N GLN 308.A O no hydrogen 3.261 N/A THR 305.A OG1 GLY 75.A O no hydrogen 3.544 N/A GLN 308.A N GLY 304.A O no hydrogen 2.814 N/A GLN 308.A NE2 THR 305.A O no hydrogen 2.938 N/A CYS 310.A N GLY 302.A O no hydrogen 2.851 N/A CYS 310.A SG PRO 311.A O no hydrogen 3.895 N/A VAL 312.A N VAL 300.A O no hydrogen 2.997 N/A HIS 313.A N VAL 174.A O no hydrogen 3.081 N/A ARG 314.A NH1 ASN 321.A OD1 no hydrogen 2.935 N/A ARG 314.A NH2 GLY 213.A O no hydrogen 2.947 N/A ILE 315.A N LEU 322.A O no hydrogen 3.038 N/A LEU 316.A N LEU 176.A O no hydrogen 2.726 N/A TYR 317.A N ARG 320.A O no hydrogen 2.960 N/A TYR 317.A OH HIS 225.A ND1 no hydrogen 2.681 N/A ARG 320.A N TYR 317.A O no hydrogen 3.011 N/A LEU 322.A N ILE 315.A O no hydrogen 2.853 N/A HIS 323.A NE2 GLU 328.A OE1 no hydrogen 2.797 N/A ILE 324.A N HIS 313.A O no hydrogen 2.876 N/A THR 326.A N ILE 324.A O no hydrogen 2.856 N/A THR 326.A OG1 VAL 300.A O no hydrogen 3.495 N/A THR 326.A OG1 VAL 312.A O no hydrogen 2.736 N/A GLU 328.A N PRO 325.A O no hydrogen 3.145 N/A ASN 329.A N THR 326.A O no hydrogen 3.190 N/A ASN 329.A ND2 ARG 298.A O no hydrogen 3.066 N/A ASN 329.A ND2 PRO 325.A O no hydrogen 2.763 N/A GLU 332.A N ASN 329.A O no hydrogen 3.099 N/A LEU 333.A N GLU 299.A OE1 no hydrogen 2.895 N/A ILE 334.A N GLU 299.A OE2 no hydrogen 2.934 N/A LEU 335.A N PRO 331.A O no hydrogen 2.940 N/A ARG 336.A N GLU 332.A O no hydrogen 3.104 N/A ARG 336.A NE GLU 340.A OE2 no hydrogen 3.366 N/A ARG 336.A NH1 GLU 275.A OE1 no hydrogen 2.727 N/A ARG 336.A NH1 GLU 275.A OE2 no hydrogen 3.153 N/A ARG 336.A NH2 GLU 275.A OE2 no hydrogen 2.890 N/A PHE 337.A N LEU 333.A O no hydrogen 2.871 N/A GLN 338.A N ILE 334.A O no hydrogen 2.878 N/A GLN 338.A NE2 VAL 309.A O no hydrogen 3.044 N/A LYS 339.A N LEU 335.A O no hydrogen 2.953 N/A GLU 340.A N ARG 336.A O no hydrogen 3.054 N/A LEU 341.A N PHE 337.A O no hydrogen 2.930 N/A LYS 342.A N GLN 338.A O no hydrogen 3.043 N/A GLU 343.A N LYS 339.A O no hydrogen 3.131 N/A ILE 344.A N GLU 340.A O no hydrogen 3.325 N/A GLN 345.A N LEU 341.A O no hydrogen 2.797 N/A GLN 345.A NE2 GLN 308.A OE1 no hydrogen 2.957 N/A TYR 346.A N LYS 342.A O no hydrogen 2.991 N/A TYR 346.A OH THR 136.A O no hydrogen 2.682 N/A GLY 347.A N ILE 344.A O no hydrogen 3.435 N/A ILE 348.A N GLU 343.A O no hydrogen 2.968 N/A ARG 349.A N GLU 343.A O no hydrogen 3.040 N/A ARG 349.A NH2 GLU 343.A OE2 no hydrogen 2.998 N/A MET 354.A N HIS 351.A O no hydrogen 3.220 N/A PHE 355.A N LEU 88.A O no hydrogen 2.934 N/A VAL 357.A N VAL 86.A O no hydrogen 2.884 N/A