Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2dbq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A N ASP 45.A OD2 no hydrogen 2.905 N/A VAL 4.A N GLU 22.A O no hydrogen 3.001 N/A PHE 5.A N ALA 46.A O no hydrogen 3.278 N/A ILE 6.A N GLU 24.A O no hydrogen 2.848 N/A THR 7.A N VAL 48.A O no hydrogen 3.004 N/A THR 7.A OG1 VAL 48.A O no hydrogen 3.382 N/A THR 7.A OG1 GLU 52.A OE1 no hydrogen 2.601 N/A ARG 8.A NH1 ASP 28.A O no hydrogen 2.982 N/A ARG 8.A NH2 GLU 29.A O no hydrogen 2.923 N/A ARG 8.A NH2 GLU 31.A OE2 no hydrogen 2.970 N/A ILE 10.A N ARG 8.A O no hydrogen 2.885 N/A GLY 14.A N PRO 11.A O no hydrogen 3.064 N/A LYS 16.A N GLU 12.A O no hydrogen 2.771 N/A GLU 18.A N ILE 15.A O no hydrogen 2.913 N/A GLU 20.A N LEU 17.A O no hydrogen 2.873 N/A PHE 21.A N LEU 17.A O no hydrogen 2.695 N/A GLU 22.A N PRO 2.A O no hydrogen 2.689 N/A GLU 24.A N VAL 4.A O no hydrogen 3.126 N/A TRP 26.A N ILE 6.A O no hydrogen 2.880 N/A TRP 26.A NE1 LYS 30.A O no hydrogen 2.975 N/A LYS 30.A N ASP 28.A OD1 no hydrogen 3.117 N/A ARG 34.A NH1 ARG 53.A O no hydrogen 2.776 N/A ARG 34.A NH2 ASP 55.A OD1 no hydrogen 2.787 N/A ARG 34.A NH2 GLU 57.A OE1 no hydrogen 2.791 N/A LEU 37.A N PRO 33.A O no hydrogen 2.860 N/A LEU 38.A N ARG 34.A O no hydrogen 3.023 N/A LYS 39.A N GLU 35.A O no hydrogen 3.361 N/A LYS 40.A N ILE 36.A O no hydrogen 2.836 N/A LYS 40.A NZ GLU 24.A OE1 no hydrogen 3.567 N/A VAL 41.A N LEU 37.A O no hydrogen 3.044 N/A LYS 42.A N LYS 39.A O no hydrogen 3.398 N/A LYS 42.A NZ GLU 43.A OE1 no hydrogen 3.507 N/A ASP 45.A N LYS 3.A O no hydrogen 2.958 N/A ALA 46.A N LYS 3.A O no hydrogen 3.054 N/A LEU 47.A N ILE 67.A O no hydrogen 2.985 N/A VAL 48.A N PHE 5.A O no hydrogen 3.035 N/A THR 49.A N ALA 69.A O no hydrogen 2.998 N/A THR 49.A OG1 ASN 70.A OD1 no hydrogen 2.778 N/A SER 51.A OG GLU 52.A OE2 no hydrogen 2.576 N/A ARG 53.A NE ASP 55.A OD2 no hydrogen 2.785 N/A ILE 54.A N ASN 77.A O no hydrogen 2.816 N/A ASP 55.A N ARG 53.A O no hydrogen 3.121 N/A VAL 58.A N ASP 55.A OD1 no hydrogen 3.397 N/A PHE 59.A N ASP 55.A O no hydrogen 3.166 N/A GLU 60.A N LYS 56.A O no hydrogen 2.812 N/A ASN 61.A N VAL 58.A O no hydrogen 2.944 N/A ASN 61.A ND2 GLU 57.A O no hydrogen 2.642 N/A ALA 62.A N PHE 59.A O no hydrogen 3.067 N/A LEU 65.A N ALA 62.A O no hydrogen 3.299 N/A ARG 66.A N ASP 45.A O no hydrogen 2.795 N/A ARG 66.A NH1 GLY 326.A O no hydrogen 2.971 N/A VAL 68.A N TYR 89.A O no hydrogen 2.806 N/A ALA 69.A N LEU 47.A O no hydrogen 2.721 N/A ASN 70.A N THR 91.A O no hydrogen 2.785 N/A ASN 70.A ND2 GLY 74.A O no hydrogen 2.766 N/A ASN 70.A ND2 ASN 77.A OD1 no hydrogen 3.004 N/A TYR 71.A N THR 49.A O no hydrogen 2.802 N/A TYR 71.A OH ARG 292.A O no hydrogen 2.830 N/A ASN 77.A ND2 GLU 52.A O no hydrogen 2.941 N/A ASN 77.A ND2 ASN 70.A OD1 no hydrogen 3.306 N/A ILE 78.A N TYR 75.A O no hydrogen 3.167 N/A ASP 79.A N ILE 54.A O no hydrogen 2.967 N/A GLU 82.A N ASP 79.A OD1 no hydrogen 2.955 N/A ALA 83.A N ASP 79.A O no hydrogen 3.001 N/A THR 84.A N ILE 80.A O no hydrogen 2.934 N/A THR 84.A OG1 ILE 80.A O no hydrogen 2.955 N/A LYS 85.A N GLU 81.A O no hydrogen 3.133 N/A ARG 86.A N GLU 82.A O no hydrogen 3.115 N/A ARG 86.A NE GLU 82.A OE2 no hydrogen 2.875 N/A ARG 86.A NH2 GLU 82.A OE2 no hydrogen 3.456 N/A GLY 87.A N THR 84.A O no hydrogen 2.820 N/A ILE 88.A N ALA 83.A O no hydrogen 2.844 N/A TYR 89.A N ARG 66.A O no hydrogen 2.936 N/A TYR 89.A OH ARG 323.A O no hydrogen 2.541 N/A VAL 90.A N ASN 316.A OD1 no hydrogen 3.008 N/A THR 91.A N VAL 68.A O no hydrogen 2.901 N/A ASN 92.A N THR 313.A O no hydrogen 3.308 N/A ASN 92.A ND2 VAL 73.A O no hydrogen 2.809 N/A THR 93.A N ALA 72.A O no hydrogen 2.833 N/A VAL 96.A N PRO 94.A O no hydrogen 2.760 N/A THR 98.A N ASP 95.A O no hydrogen 3.209 N/A THR 98.A OG1 ASP 95.A O no hydrogen 3.387 N/A THR 101.A N LEU 97.A O no hydrogen 3.122 N/A THR 101.A OG1 LEU 97.A O no hydrogen 2.854 N/A ALA 102.A N THR 98.A O no hydrogen 2.964 N/A ASP 103.A N ASP 99.A O no hydrogen 2.953 N/A LEU 104.A N ALA 100.A O no hydrogen 2.943 N/A ALA 105.A N THR 101.A O no hydrogen 2.839 N/A PHE 106.A N ALA 102.A O no hydrogen 3.138 N/A ALA 107.A N ASP 103.A O no hydrogen 2.905 N/A LEU 108.A N LEU 104.A O no hydrogen 2.913 N/A LEU 109.A N ALA 105.A O no hydrogen 3.028 N/A LEU 110.A N PHE 106.A O no hydrogen 2.966 N/A ALA 111.A N ALA 107.A O no hydrogen 2.916 N/A THR 112.A N LEU 108.A O no hydrogen 2.886 N/A THR 112.A OG1 LEU 108.A O no hydrogen 2.647 N/A ALA 113.A N LEU 109.A O no hydrogen 2.993 N/A ARG 114.A N LEU 110.A O no hydrogen 2.944 N/A HIS 115.A NE2 LEU 141.A O no hydrogen 3.036 N/A VAL 116.A N ALA 111.A O no hydrogen 3.161 N/A GLY 119.A N HIS 115.A O no hydrogen 2.853 N/A ASP 120.A N VAL 116.A O no hydrogen 2.865 N/A ARG 121.A N VAL 117.A O no hydrogen 3.101 N/A PHE 122.A N LYS 118.A O no hydrogen 3.067 N/A VAL 123.A N GLY 119.A O no hydrogen 3.085 N/A ARG 124.A N ASP 120.A O no hydrogen 2.793 N/A ARG 124.A NE ASP 120.A OD1 no hydrogen 2.777 N/A ARG 124.A NH2 ASP 120.A OD1 no hydrogen 3.424 N/A ARG 124.A NH2 ASP 120.A OD2 no hydrogen 2.921 N/A SER 125.A N ARG 121.A O no hydrogen 2.936 N/A SER 125.A OG ARG 121.A O no hydrogen 2.735 N/A SER 125.A OG PHE 122.A O no hydrogen 3.497 N/A SER 125.A OG GLU 127.A OE2 no hydrogen 2.662 N/A GLY 126.A N VAL 123.A O no hydrogen 2.915 N/A GLU 127.A N SER 125.A OG no hydrogen 3.318 N/A TRP 128.A N PHE 122.A O no hydrogen 3.042 N/A TRP 128.A NE1 ALA 134.A O no hydrogen 2.992 N/A LYS 130.A N GLY 126.A O no hydrogen 2.866 N/A ARG 131.A N GLU 127.A O no hydrogen 3.036 N/A GLY 132.A N LYS 129.A O no hydrogen 2.831 N/A TRP 139.A N HIS 136.A O no hydrogen 3.360 N/A LEU 141.A N LYS 138.A O no hydrogen 3.436 N/A TYR 143.A N ALA 113.A O no hydrogen 2.983 N/A GLY 147.A N PHE 169.A O no hydrogen 2.846 N/A LYS 148.A N VAL 145.A O no hydrogen 2.960 N/A THR 149.A N ASP 202.A OD2 no hydrogen 2.847 N/A ILE 150.A N ARG 171.A O no hydrogen 2.914 N/A GLY 151.A N PHE 203.A O no hydrogen 2.732 N/A ILE 152.A N LEU 173.A O no hydrogen 2.917 N/A ILE 153.A N VAL 205.A O no hydrogen 2.824 N/A GLY 154.A N TYR 175.A O no hydrogen 2.900 N/A LEU 155.A N SER 176.A OG no hydrogen 3.055 N/A GLN 160.A N GLY 156.A O no hydrogen 2.908 N/A GLN 160.A NE2 LEU 155.A O no hydrogen 3.358 N/A GLN 160.A NE2 GLY 156.A O no hydrogen 3.286 N/A ALA 161.A N ARG 157.A O no hydrogen 3.252 N/A ILE 162.A N ILE 158.A O no hydrogen 2.868 N/A ALA 163.A N GLY 159.A O no hydrogen 3.018 N/A LYS 164.A N GLN 160.A O no hydrogen 2.952 N/A ARG 165.A N ALA 161.A O no hydrogen 3.252 N/A ARG 165.A NE ASP 103.A OD1 no hydrogen 2.872 N/A ARG 165.A NH1 ALA 161.A O no hydrogen 2.875 N/A ARG 165.A NH2 ASP 99.A OD1 no hydrogen 3.024 N/A ARG 165.A NH2 ASP 103.A OD1 no hydrogen 2.872 N/A ALA 166.A N ILE 162.A O no hydrogen 2.949 N/A LYS 167.A N ALA 163.A O no hydrogen 3.160 N/A LYS 167.A N LYS 164.A O no hydrogen 3.313 N/A GLY 168.A N ARG 165.A O no hydrogen 2.919 N/A PHE 169.A N ALA 166.A O no hydrogen 3.174 N/A ASN 170.A N LYS 167.A O no hydrogen 3.004 N/A ARG 171.A N LYS 148.A O no hydrogen 2.938 N/A ARG 171.A NH1 GLU 200.A OE1 no hydrogen 3.153 N/A ARG 171.A NH2 GLU 190.A OE1 no hydrogen 2.988 N/A ARG 171.A NH2 GLU 200.A OE1 no hydrogen 3.569 N/A LEU 173.A N ILE 150.A O no hydrogen 2.833 N/A TYR 174.A N GLU 190.A O no hydrogen 3.013 N/A TYR 174.A OH GLU 184.A OE2 no hydrogen 2.541 N/A TYR 175.A N ILE 152.A O no hydrogen 3.042 N/A LYS 180.A N TYR 174.A OH no hydrogen 3.045 N/A LYS 180.A NZ LEU 155.A O no hydrogen 2.893 N/A GLU 184.A N LYS 180.A O no hydrogen 2.959 N/A ARG 185.A N GLU 181.A O no hydrogen 2.862 N/A GLU 186.A N GLU 182.A O no hydrogen 2.869 N/A LEU 187.A N VAL 183.A O no hydrogen 2.931 N/A GLU 190.A N ILE 172.A O no hydrogen 2.855 N/A LYS 192.A N TYR 174.A O no hydrogen 2.914 N/A LYS 192.A NZ GLU 200.A OE1 no hydrogen 3.256 N/A LEU 197.A N PRO 193.A O no hydrogen 2.961 N/A LEU 198.A N LEU 194.A O no hydrogen 3.014 N/A ARG 199.A N GLU 195.A O no hydrogen 3.206 N/A GLU 200.A N ASP 196.A O no hydrogen 3.039 N/A SER 201.A N LEU 197.A O no hydrogen 3.058 N/A SER 201.A OG LEU 197.A O no hydrogen 2.763 N/A ASP 202.A N THR 149.A O no hydrogen 2.807 N/A PHE 203.A N THR 149.A O no hydrogen 3.136 N/A VAL 204.A N ILE 230.A O no hydrogen 2.908 N/A VAL 205.A N GLY 151.A O no hydrogen 2.836 N/A LEU 206.A N ILE 232.A O no hydrogen 2.893 N/A ALA 207.A N ILE 153.A O no hydrogen 2.843 N/A THR 211.A N THR 214.A OG1 no hydrogen 2.777 N/A THR 211.A OG1 GLU 213.A OE1 no hydrogen 3.369 N/A GLU 213.A N THR 211.A OG1 no hydrogen 3.213 N/A GLU 213.A N GLU 213.A OE1 no hydrogen 2.525 N/A THR 214.A N THR 211.A O no hydrogen 3.284 N/A THR 214.A N THR 211.A OG1 no hydrogen 3.267 N/A THR 214.A OG1 PRO 209.A O no hydrogen 2.727 N/A THR 214.A OG1 THR 211.A O no hydrogen 3.456 N/A TYR 215.A N THR 211.A O no hydrogen 3.066 N/A HIS 216.A N LYS 238.A O no hydrogen 2.713 N/A HIS 216.A NE2 GLU 263.A OE1 no hydrogen 3.029 N/A LEU 217.A N THR 214.A O no hydrogen 3.058 N/A ILE 218.A N VAL 239.A O no hydrogen 3.089 N/A ARG 222.A N ASN 219.A OD1 no hydrogen 2.927 N/A ARG 222.A NH1 LEU 217.A O no hydrogen 2.642 N/A LEU 223.A N ASN 219.A O no hydrogen 2.924 N/A LYS 224.A N GLU 220.A O no hydrogen 3.144 N/A LYS 224.A NZ GLU 220.A OE2 no hydrogen 3.526 N/A LEU 225.A N ARG 222.A O no hydrogen 3.081 N/A LYS 226.A NZ ASP 202.A OD1 no hydrogen 2.847 N/A ALA 229.A N LYS 226.A O no hydrogen 3.104 N/A ILE 230.A N ASP 202.A O no hydrogen 3.136 N/A LEU 231.A N GLY 256.A O no hydrogen 3.041 N/A ILE 232.A N VAL 204.A O no hydrogen 2.779 N/A ASN 233.A N GLY 258.A O no hydrogen 2.856 N/A ASN 233.A ND2 ARG 236.A O no hydrogen 3.036 N/A ALA 235.A N ASN 233.A OD1 no hydrogen 3.034 N/A ARG 236.A NE ASP 76.A OD1 no hydrogen 2.855 N/A ARG 236.A NE ASP 76.A OD2 no hydrogen 3.392 N/A ARG 236.A NH1 ALA 235.A O no hydrogen 3.153 N/A ARG 236.A NH2 ASP 76.A OD1 no hydrogen 3.202 N/A VAL 239.A N ARG 236.A O no hydrogen 3.161 N/A VAL 240.A N GLY 237.A O no hydrogen 2.993 N/A ASP 241.A N ILE 218.A O no hydrogen 2.952 N/A THR 242.A N GLU 263.A OE2 no hydrogen 3.201 N/A THR 242.A OG1 GLU 263.A OE2 no hydrogen 2.651 N/A ALA 244.A N ASP 241.A OD1 no hydrogen 3.156 N/A LEU 245.A N ASP 241.A O no hydrogen 2.879 N/A VAL 246.A N THR 242.A O no hydrogen 2.893 N/A LYS 247.A N ASN 243.A O no hydrogen 3.078 N/A LYS 247.A NZ GLU 220.A OE1 no hydrogen 3.282 N/A ALA 248.A N ALA 244.A O no hydrogen 2.904 N/A LEU 249.A N LEU 245.A O no hydrogen 2.889 N/A LYS 250.A N VAL 246.A O no hydrogen 2.977 N/A LYS 250.A NZ GLU 271.A OE1 no hydrogen 2.840 N/A GLU 251.A N LYS 247.A O no hydrogen 2.850 N/A GLY 252.A N LEU 249.A O no hydrogen 3.277 N/A TRP 253.A N ALA 248.A O no hydrogen 2.741 N/A ALA 255.A N ALA 229.A O no hydrogen 2.819 N/A ALA 257.A N ASN 277.A O no hydrogen 3.150 N/A GLY 258.A N LEU 231.A O no hydrogen 2.804 N/A LEU 259.A N VAL 279.A O no hydrogen 2.866 N/A ASP 260.A N ASN 233.A O no hydrogen 2.974 N/A PHE 262.A N GLU 265.A OE2 no hydrogen 2.987 N/A ASN 269.A ND2 TYR 267.A OH no hydrogen 2.837 N/A LEU 272.A N ASN 269.A OD1 no hydrogen 3.060 N/A PHE 273.A N ASN 269.A O no hydrogen 2.893 N/A LEU 275.A N LEU 272.A O no hydrogen 3.182 N/A ASN 277.A ND2 ALA 255.A O no hydrogen 3.027 N/A VAL 279.A N ALA 257.A O no hydrogen 2.961 N/A THR 281.A N LEU 259.A O no hydrogen 3.009 N/A THR 281.A OG1 ASP 260.A OD1 no hydrogen 2.572 N/A HIS 283.A N ASP 260.A O no hydrogen 2.784 N/A HIS 283.A N THR 281.A O no hydrogen 3.057 N/A HIS 283.A ND1 GLU 265.A OE1 no hydrogen 2.899 N/A ILE 284.A N ASP 260.A OD1 no hydrogen 2.833 N/A GLY 285.A N ASP 260.A OD2 no hydrogen 3.041 N/A ALA 287.A N ILE 284.A O no hydrogen 3.006 N/A SER 288.A N SER 286.A O no hydrogen 2.914 N/A ALA 291.A N SER 288.A OG no hydrogen 3.035 N/A ARG 292.A N SER 288.A O no hydrogen 3.028 N/A ARG 292.A NH1 SER 286.A OG no hydrogen 2.832 N/A GLU 293.A N PHE 289.A O no hydrogen 3.198 N/A GLY 294.A N GLY 290.A O no hydrogen 2.915 N/A GLU 296.A N GLU 293.A O no hydrogen 2.994 N/A LEU 297.A N GLY 294.A O no hydrogen 2.874 N/A ALA 299.A N ALA 295.A O no hydrogen 3.291 N/A LYS 300.A N GLU 296.A O no hydrogen 2.863 N/A ASN 301.A N LEU 297.A O no hydrogen 2.993 N/A ASN 301.A ND2 LEU 297.A O no hydrogen 2.999 N/A ASN 301.A ND2 THR 313.A OG1 no hydrogen 2.776 N/A LEU 302.A N VAL 298.A O no hydrogen 3.205 N/A ILE 303.A N ALA 299.A O no hydrogen 2.887 N/A ALA 304.A N LYS 300.A O no hydrogen 2.902 N/A PHE 305.A N ASN 301.A O no hydrogen 3.070 N/A LYS 306.A N LEU 302.A O no hydrogen 2.964 N/A LYS 306.A NZ GLU 20.A O no hydrogen 2.808 N/A LYS 306.A NZ GLU 20.A OE1 no hydrogen 2.798 N/A ARG 307.A N ILE 303.A O no hydrogen 3.124 N/A ARG 307.A NH2 GLU 20.A OE2 no hydrogen 3.178 N/A GLY 308.A N PHE 305.A O no hydrogen 2.937 N/A GLU 309.A N ALA 304.A O no hydrogen 2.913 N/A THR 313.A N ASN 301.A OD1 no hydrogen 3.039 N/A THR 313.A OG1 ASN 92.A O no hydrogen 2.711 N/A VAL 315.A N VAL 90.A O no hydrogen 2.732 N/A ASN 316.A ND2 THR 84.A OG1 no hydrogen 2.896 N/A ASN 316.A ND2 ILE 88.A O no hydrogen 3.038 N/A VAL 319.A N ASN 316.A O no hydrogen 3.033 N/A ILE 320.A N ARG 317.A O no hydrogen 3.289 N/A LYS 321.A N GLU 318.A O no hydrogen 3.296 N/A ILE 322.A N VAL 319.A O no hydrogen 2.880 N/A ARG 323.A N VAL 319.A O no hydrogen 2.936 N/A