Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2hdk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG PHE 3.A O no hydrogen 2.932 N/A ALA 5.A N GLU 114.A OE1 no hydrogen 2.902 N/A ASP 7.A N LYS 4.A O no hydrogen 3.036 N/A LEU 8.A N ALA 5.A O no hydrogen 2.826 N/A GLN 9.A N PRO 49.A O no hydrogen 3.022 N/A GLU 11.A N ILE 51.A O no hydrogen 3.135 N/A THR 13.A N HIS 35.A NE2 no hydrogen 3.190 N/A THR 13.A OG1 LYS 15.A O no hydrogen 2.880 N/A LYS 15.A N THR 13.A OG1 no hydrogen 3.179 N/A HIS 17.A N ASP 34.A OD1 no hydrogen 2.904 N/A LYS 30.A N VAL 27.A O no hydrogen 3.444 N/A THR 33.A N LEU 165.A O no hydrogen 3.152 N/A THR 33.A OG1 ASP 126.A OD2 no hydrogen 2.820 N/A HIS 35.A N ASP 126.A OD2 no hydrogen 3.008 N/A HIS 35.A ND1 ASP 126.A OD1 no hydrogen 2.746 N/A MET 36.A N GLN 52.A O no hydrogen 2.998 N/A LEU 37.A N VAL 163.A O no hydrogen 3.022 N/A MET 38.A N ARG 50.A O no hydrogen 2.862 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 3.041 N/A ASN 42.A N GLY 45.A O no hydrogen 3.045 N/A LYS 44.A N ASN 42.A OD1 no hydrogen 2.901 N/A GLY 45.A N ASN 42.A O no hydrogen 3.336 N/A TRP 46.A NE1 SER 109.A O no hydrogen 2.722 N/A GLY 47.A N GLU 40.A O no hydrogen 2.840 N/A ARG 50.A N MET 38.A O no hydrogen 2.945 N/A ARG 50.A NH2 GLU 40.A OE2 no hydrogen 3.023 N/A ILE 51.A N GLN 9.A O no hydrogen 3.022 N/A GLN 52.A N MET 36.A O no hydrogen 3.208 N/A PHE 54.A N ASP 34.A O no hydrogen 2.840 N/A ALA 62.A N HIS 60.A ND1 no hydrogen 3.090 N/A SER 63.A N HIS 60.A O no hydrogen 2.906 N/A SER 63.A OG SER 65.A OG no hydrogen 2.915 N/A SER 63.A OG GLY 146.A O no hydrogen 3.527 N/A SER 63.A OG ASN 147.A OD1 no hydrogen 2.846 N/A SER 64.A N GLU 148.A O no hydrogen 3.062 N/A SER 65.A OG SER 63.A OG no hydrogen 2.915 N/A LEU 66.A N SER 63.A O no hydrogen 3.088 N/A HIS 67.A NE2 PRO 61.A O no hydrogen 2.724 N/A TYR 68.A N SER 64.A O no hydrogen 3.005 N/A TYR 68.A OH LEU 151.A O no hydrogen 2.541 N/A LEU 72.A N LEU 144.A O no hydrogen 3.097 N/A PHE 73.A N LYS 200.A O no hydrogen 3.271 N/A GLU 74.A N PRO 142.A O no hydrogen 2.983 N/A GLY 75.A N GLU 74.A OE2 no hydrogen 3.151 N/A MET 76.A N VAL 140.A O no hydrogen 3.218 N/A LYS 77.A NZ THR 311.A O no hydrogen 2.979 N/A LYS 77.A NZ ALA 312.A O no hydrogen 3.163 N/A ALA 78.A N LEU 138.A O no hydrogen 2.955 N/A PHE 79.A N ARG 87.A O no hydrogen 2.651 N/A GLY 81.A N GLN 85.A O no hydrogen 3.317 N/A GLN 84.A N GLY 81.A O no hydrogen 2.983 N/A GLN 85.A N ASP 83.A OD2 no hydrogen 3.452 N/A ARG 87.A N PHE 79.A O no hydrogen 2.886 N/A ARG 87.A NH1 ASP 83.A OD2 no hydrogen 3.350 N/A ARG 87.A NH2 ASP 83.A OD1 no hydrogen 2.716 N/A LEU 88.A N PHE 361.A O no hydrogen 2.757 N/A PHE 89.A N LYS 77.A O no hydrogen 3.290 N/A ARG 90.A N TRP 359.A O no hydrogen 2.994 N/A ARG 90.A NH1 SER 271.A OG no hydrogen 2.953 N/A ARG 90.A NH1 ASP 274.A OD1 no hydrogen 3.158 N/A ARG 90.A NH2 ASP 274.A OD1 no hydrogen 3.402 N/A LEU 93.A N ARG 90.A O no hydrogen 3.173 N/A ASN 94.A ND2 ARG 90.A O no hydrogen 3.391 N/A MET 95.A N PRO 91.A O no hydrogen 3.051 N/A ASP 96.A N TRP 92.A O no hydrogen 3.003 N/A ARG 97.A N LEU 93.A O no hydrogen 3.063 N/A ARG 97.A NE GLU 74.A OE1 no hydrogen 2.663 N/A ARG 97.A NH1 PRO 265.A O no hydrogen 2.942 N/A ARG 97.A NH2 GLU 74.A OE1 no hydrogen 3.303 N/A ARG 97.A NH2 GLU 74.A OE2 no hydrogen 2.748 N/A MET 98.A N ASN 94.A O no hydrogen 2.908 N/A LEU 99.A N MET 95.A O no hydrogen 3.204 N/A ARG 100.A N ASP 96.A O no hydrogen 3.095 N/A SER 101.A N ARG 97.A O no hydrogen 3.061 N/A SER 101.A OG ARG 97.A O no hydrogen 3.230 N/A ALA 102.A N MET 98.A O no hydrogen 2.885 N/A MET 103.A N LEU 99.A O no hydrogen 2.993 N/A ARG 104.A N ARG 100.A O no hydrogen 3.153 N/A ARG 104.A NH1 ARG 104.A O no hydrogen 2.993 N/A LEU 105.A N SER 101.A O no hydrogen 3.343 N/A LEU 105.A N ALA 102.A O no hydrogen 3.102 N/A CYS 106.A N MET 103.A O no hydrogen 3.246 N/A LEU 107.A N ALA 102.A O no hydrogen 2.908 N/A ASP 111.A N SER 2.A OG no hydrogen 2.920 N/A LYS 112.A NZ ASP 96.A OD2 no hydrogen 2.440 N/A GLU 114.A N ASP 111.A OD1 no hydrogen 3.094 N/A LEU 115.A N ASP 111.A O no hydrogen 3.029 N/A LEU 116.A N LYS 112.A O no hydrogen 3.098 N/A GLU 117.A N LEU 113.A O no hydrogen 2.985 N/A CYS 118.A N GLU 114.A O no hydrogen 3.019 N/A CYS 118.A SG GLU 114.A O no hydrogen 3.148 N/A ILE 119.A N LEU 115.A O no hydrogen 2.814 N/A ARG 120.A N LEU 116.A O no hydrogen 2.727 N/A ARG 120.A NE GLU 117.A OE1 no hydrogen 3.178 N/A ARG 120.A NE GLU 117.A OE2 no hydrogen 3.207 N/A ARG 120.A NH1 GLU 124.A OE1 no hydrogen 3.424 N/A ARG 120.A NH1 VAL 363.A OXT no hydrogen 2.821 N/A ARG 120.A NH2 GLU 117.A OE1 no hydrogen 2.798 N/A ARG 121.A N GLU 117.A O no hydrogen 2.949 N/A LEU 122.A N CYS 118.A O no hydrogen 3.086 N/A ILE 123.A N ILE 119.A O no hydrogen 2.972 N/A GLU 124.A N ARG 120.A O no hydrogen 2.873 N/A VAL 125.A N ARG 121.A O no hydrogen 3.042 N/A ASP 126.A N LEU 122.A O no hydrogen 3.110 N/A LYS 127.A N GLU 124.A O no hydrogen 3.380 N/A TRP 129.A N ASP 126.A O no hydrogen 2.838 N/A TRP 129.A NE1 ASP 34.A OD2 no hydrogen 3.039 N/A VAL 130.A N LYS 127.A O no hydrogen 3.095 N/A THR 136.A N ALA 133.A O no hydrogen 3.389 N/A THR 136.A OG1 ALA 133.A O no hydrogen 2.743 N/A SER 137.A N VAL 168.A O no hydrogen 3.160 N/A LEU 138.A N ALA 78.A O no hydrogen 2.985 N/A TYR 139.A N CYS 166.A O no hydrogen 2.711 N/A VAL 140.A N MET 76.A O no hydrogen 2.765 N/A ARG 141.A N ILE 164.A O no hydrogen 2.855 N/A ARG 141.A NE GLU 74.A O no hydrogen 2.999 N/A ARG 141.A NH2 TYR 139.A OH no hydrogen 2.849 N/A VAL 143.A N PHE 162.A O no hydrogen 2.793 N/A LEU 144.A N LEU 72.A O no hydrogen 3.106 N/A ILE 145.A N LEU 160.A O no hydrogen 2.968 N/A GLY 146.A N LEU 70.A O no hydrogen 2.940 N/A ASN 147.A N ARG 158.A O no hydrogen 2.882 N/A GLY 152.A N SER 150.A OG no hydrogen 3.059 N/A SER 154.A OG GLY 152.A O no hydrogen 3.561 N/A ARG 157.A N GLU 148.A OE2 no hydrogen 3.017 N/A ALA 159.A N TRP 41.A O no hydrogen 2.952 N/A LEU 160.A N ILE 145.A O no hydrogen 2.938 N/A LEU 161.A N VAL 39.A O no hydrogen 2.796 N/A PHE 162.A N VAL 143.A O no hydrogen 3.016 N/A VAL 163.A N LEU 37.A O no hydrogen 3.190 N/A ILE 164.A N ARG 141.A O no hydrogen 3.143 N/A CYS 166.A N TYR 139.A O no hydrogen 2.859 N/A VAL 168.A N SER 137.A O no hydrogen 2.827 N/A GLY 175.A N PHE 172.A O no hydrogen 2.982 N/A VAL 180.A N PRO 317.A O no hydrogen 3.032 N/A SER 181.A N GLU 221.A OE2 no hydrogen 3.074 N/A SER 181.A OG GLY 219.A O no hydrogen 3.521 N/A SER 181.A OG GLU 221.A OE2 no hydrogen 3.001 N/A LEU 182.A N ARG 320.A O no hydrogen 2.853 N/A LEU 183.A N GLN 222.A O no hydrogen 2.897 N/A ALA 184.A N LEU 322.A O no hydrogen 2.906 N/A ALA 187.A N ASP 185.A OD1 no hydrogen 3.169 N/A PHE 188.A N ASP 185.A O no hydrogen 3.251 N/A ARG 190.A NH2 GLY 197.A O no hydrogen 2.956 N/A ARG 190.A NH2 VAL 262.A O no hydrogen 3.057 N/A VAL 193.A N TYR 227.A OH no hydrogen 3.131 N/A GLY 195.A N TRP 192.A O no hydrogen 2.909 N/A TYR 199.A N VAL 196.A O no hydrogen 3.040 N/A LEU 201.A N TYR 199.A O no hydrogen 3.060 N/A GLY 202.A N GLN 71.A O no hydrogen 3.261 N/A ASN 204.A N LEU 201.A O no hydrogen 3.085 N/A TYR 205.A N GLY 202.A O no hydrogen 3.145 N/A THR 208.A N TYR 205.A O no hydrogen 2.915 N/A THR 208.A OG1 TYR 205.A O no hydrogen 2.847 N/A VAL 209.A N GLY 206.A O no hydrogen 3.439 N/A GLN 212.A N THR 208.A O no hydrogen 2.999 N/A GLN 213.A N VAL 209.A O no hydrogen 3.134 N/A GLU 214.A N LEU 210.A O no hydrogen 2.986 N/A ALA 215.A N VAL 211.A O no hydrogen 3.012 N/A LEU 216.A N GLN 212.A O no hydrogen 3.080 N/A LYS 217.A N GLN 213.A O no hydrogen 2.965 N/A ARG 218.A N GLU 214.A O no hydrogen 3.363 N/A ARG 218.A N ALA 215.A O no hydrogen 3.066 N/A GLY 219.A N LEU 216.A O no hydrogen 2.869 N/A CYS 220.A N ALA 215.A O no hydrogen 2.895 N/A CYS 220.A SG ARG 218.A O no hydrogen 3.913 N/A GLU 221.A N SER 181.A O no hydrogen 3.047 N/A GLN 222.A N SER 181.A O no hydrogen 3.131 N/A GLN 222.A NE2 GLN 212.A OE1 no hydrogen 3.518 N/A GLN 222.A NE2 GLU 221.A O no hydrogen 3.583 N/A LEU 224.A N LEU 183.A O no hydrogen 2.703 N/A TRP 225.A N GLU 235.A O no hydrogen 2.972 N/A TYR 227.A N GLN 232.A O no hydrogen 2.955 N/A ASP 230.A N ASP 230.A OD1 no hydrogen 2.582 N/A HIS 231.A N GLY 228.A O no hydrogen 3.314 N/A HIS 231.A ND1 TYR 323.A OH no hydrogen 2.651 N/A GLN 232.A N TYR 227.A O no hydrogen 3.029 N/A LEU 233.A N ILE 289.A O no hydrogen 2.853 N/A THR 234.A N TRP 225.A O no hydrogen 2.991 N/A THR 234.A OG1 TRP 225.A O no hydrogen 2.753 N/A VAL 236.A N MET 239.A O no hydrogen 2.851 N/A GLY 237.A N VAL 223.A O no hydrogen 2.784 N/A MET 239.A N VAL 236.A O no hydrogen 2.859 N/A ASN 240.A N SER 309.A O no hydrogen 2.901 N/A PHE 242.A N PHE 307.A O no hydrogen 2.887 N/A VAL 243.A N VAL 255.A O no hydrogen 3.109 N/A TYR 244.A N GLU 305.A O no hydrogen 2.796 N/A TRP 245.A N GLU 253.A O no hydrogen 3.124 N/A TRP 245.A NE1 GLU 253.A OE2 no hydrogen 2.565 N/A THR 246.A N ARG 302.A O no hydrogen 3.080 N/A HIS 247.A N VAL 251.A O no hydrogen 2.878 N/A GLY 250.A N HIS 247.A O no hydrogen 2.925 N/A VAL 251.A N ASP 249.A OD2 no hydrogen 2.991 N/A GLU 253.A N TRP 245.A O no hydrogen 2.818 N/A LEU 254.A N ARG 283.A O no hydrogen 2.769 N/A VAL 255.A N VAL 243.A O no hydrogen 3.018 N/A THR 256.A N VAL 285.A O no hydrogen 3.368 N/A THR 256.A OG1 ILE 241.A O no hydrogen 2.576 N/A ASN 260.A N PRO 258.A O no hydrogen 2.890 N/A VAL 262.A N ASN 260.A OD1 no hydrogen 2.961 N/A LEU 264.A N GLU 235.A OE2 no hydrogen 2.793 N/A ARG 269.A NH2 PRO 257.A O no hydrogen 3.158 N/A ARG 269.A NH2 GLU 286.A OE1 no hydrogen 2.696 N/A GLN 270.A N GLY 266.A O no hydrogen 3.104 N/A SER 271.A N VAL 267.A O no hydrogen 3.067 N/A SER 271.A OG VAL 267.A O no hydrogen 2.737 N/A LEU 272.A N VAL 268.A O no hydrogen 2.845 N/A LEU 273.A N ARG 269.A O no hydrogen 3.064 N/A ASP 274.A N GLN 270.A O no hydrogen 2.905 N/A MET 275.A N SER 271.A O no hydrogen 2.974 N/A ALA 276.A N LEU 272.A O no hydrogen 2.903 N/A GLN 277.A N LEU 273.A O no hydrogen 3.004 N/A THR 278.A N ASP 274.A O no hydrogen 3.004 N/A THR 278.A OG1 ASP 274.A O no hydrogen 3.174 N/A TRP 279.A N MET 275.A O no hydrogen 3.249 N/A GLY 280.A N ALA 276.A O no hydrogen 3.491 N/A ARG 283.A N LEU 252.A O no hydrogen 3.228 N/A ARG 283.A NH1 GLU 253.A OE1 no hydrogen 2.687 N/A ARG 283.A NH2 ASP 249.A OD1 no hydrogen 2.628 N/A VAL 285.A N LEU 254.A O no hydrogen 3.070 N/A ARG 287.A N THR 256.A O no hydrogen 2.940 N/A ARG 287.A NH1 GLU 253.A OE2 no hydrogen 3.109 N/A ARG 287.A NH2 GLU 253.A OE1 no hydrogen 2.543 N/A ARG 287.A NH2 GLU 253.A OE2 no hydrogen 3.246 N/A MET 291.A N HIS 231.A O no hydrogen 2.978 N/A GLN 293.A N THR 290.A OG1 no hydrogen 3.342 N/A LEU 294.A N THR 290.A O no hydrogen 3.135 N/A LEU 295.A N MET 291.A O no hydrogen 2.869 N/A ARG 296.A N LYS 292.A O no hydrogen 3.022 N/A ALA 297.A N GLN 293.A O no hydrogen 2.954 N/A LEU 298.A N LEU 294.A O no hydrogen 2.928 N/A GLU 299.A N LEU 295.A O no hydrogen 3.088 N/A GLU 300.A N ARG 296.A O no hydrogen 3.029 N/A GLY 301.A N LEU 298.A O no hydrogen 3.151 N/A ARG 302.A N ALA 297.A O no hydrogen 2.829 N/A ARG 302.A NE GLU 300.A OE1 no hydrogen 2.751 N/A ARG 302.A NH1 THR 246.A O no hydrogen 2.942 N/A ARG 302.A NH2 GLU 300.A OE1 no hydrogen 3.072 N/A ARG 304.A N TYR 244.A O no hydrogen 2.890 N/A GLU 305.A N TYR 244.A O no hydrogen 3.141 N/A VAL 306.A N THR 332.A OG1 no hydrogen 3.008 N/A PHE 307.A N PHE 242.A O no hydrogen 3.057 N/A GLY 308.A N ALA 316.A O no hydrogen 2.769 N/A SER 309.A N ASN 240.A O no hydrogen 2.813 N/A GLY 310.A N GLN 314.A O no hydrogen 3.335 N/A GLN 314.A N GLY 310.A O no hydrogen 2.863 N/A GLN 314.A NE2 THR 311.A O no hydrogen 3.095 N/A ALA 316.A N GLY 308.A O no hydrogen 2.835 N/A VAL 318.A N VAL 306.A O no hydrogen 2.865 N/A HIS 319.A N VAL 180.A O no hydrogen 3.232 N/A ARG 320.A NH1 ASN 327.A OD1 no hydrogen 2.880 N/A ARG 320.A NH2 GLY 219.A O no hydrogen 2.843 N/A ILE 321.A N LEU 328.A O no hydrogen 2.972 N/A LEU 322.A N LEU 182.A O no hydrogen 2.778 N/A TYR 323.A N ARG 326.A O no hydrogen 3.173 N/A TYR 323.A OH HIS 231.A ND1 no hydrogen 2.651 N/A ARG 326.A N TYR 323.A O no hydrogen 3.208 N/A LEU 328.A N ILE 321.A O no hydrogen 2.952 N/A HIS 329.A NE2 GLU 334.A OE1 no hydrogen 2.876 N/A ILE 330.A N HIS 319.A O no hydrogen 2.706 N/A THR 332.A OG1 VAL 306.A O no hydrogen 3.561 N/A THR 332.A OG1 VAL 318.A O no hydrogen 2.746 N/A ASN 335.A N PRO 331.A O no hydrogen 3.070 N/A ASN 335.A N THR 332.A O no hydrogen 3.297 N/A ASN 335.A ND2 ARG 304.A O no hydrogen 3.024 N/A GLY 336.A N MET 333.A O no hydrogen 3.424 N/A GLU 338.A N ASN 335.A O no hydrogen 3.243 N/A LEU 339.A N GLU 305.A OE1 no hydrogen 2.725 N/A ILE 340.A N GLU 305.A OE2 no hydrogen 2.991 N/A LEU 341.A N PRO 337.A O no hydrogen 2.945 N/A ARG 342.A N GLU 338.A O no hydrogen 3.167 N/A ARG 342.A NH1 GLU 281.A OE1 no hydrogen 2.709 N/A ARG 342.A NH1 GLU 281.A OE2 no hydrogen 3.265 N/A ARG 342.A NH2 GLU 281.A OE2 no hydrogen 2.921 N/A PHE 343.A N LEU 339.A O no hydrogen 2.977 N/A GLN 344.A N ILE 340.A O no hydrogen 2.797 N/A LYS 345.A N LEU 341.A O no hydrogen 2.866 N/A GLU 346.A N ARG 342.A O no hydrogen 3.039 N/A LEU 347.A N PHE 343.A O no hydrogen 2.982 N/A LYS 348.A N GLN 344.A O no hydrogen 3.101 N/A GLU 349.A N LYS 345.A O no hydrogen 3.122 N/A ILE 350.A N GLU 346.A O no hydrogen 3.252 N/A GLN 351.A N LEU 347.A O no hydrogen 2.712 N/A GLN 351.A NE2 GLN 314.A OE1 no hydrogen 2.781 N/A TYR 352.A N LYS 348.A O no hydrogen 2.901 N/A TYR 352.A OH THR 136.A O no hydrogen 2.900 N/A GLY 353.A N ILE 350.A O no hydrogen 3.371 N/A ARG 355.A N GLU 349.A O no hydrogen 3.246 N/A ARG 355.A NH2 GLU 349.A OE1 no hydrogen 3.028 N/A MET 360.A N HIS 357.A O no hydrogen 3.265 N/A PHE 361.A N LEU 88.A O no hydrogen 2.829 N/A VAL 363.A N VAL 86.A O no hydrogen 2.786 N/A