Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bqk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 11.A NH2 GLU 59.A OE1 no hydrogen 3.200 N/A SER 15.A OG GLU 96.A OE1 no hydrogen 2.705 N/A SER 15.A OG GLU 96.A OE2 no hydrogen 3.391 N/A LYS 16.A NZ ASN 54.A O no hydrogen 2.900 N/A LYS 16.A NZ GLU 90.A OE1 no hydrogen 2.609 N/A LYS 16.A NZ GLU 90.A OE2 no hydrogen 3.520 N/A ASP 19.A N TYR 97.A OH no hydrogen 2.703 N/A GLY 20.A N THR 17.A O no hydrogen 2.851 N/A LYS 21.A N GLY 27.A O no hydrogen 2.877 N/A GLU 29.A N GLU 29.A OE1 no hydrogen 2.952 N/A LYS 30.A N TYR 18.A O no hydrogen 2.743 N/A GLN 31.A NE2 TRP 32.A O no hydrogen 3.357 N/A TRP 32.A NE1 GLN 230.A OE1 no hydrogen 2.693 N/A ILE 33.A N ILE 48.A O no hydrogen 3.167 N/A LYS 35.A N ALA 46.A O no hydrogen 3.137 N/A HIS 40.A N THR 43.A O no hydrogen 2.917 N/A HIS 40.A NE2 GLN 219.A OE1 no hydrogen 2.891 N/A ASP 42.A N HIS 40.A O no hydrogen 3.035 N/A GLY 45.A N ILE 38.A O no hydrogen 2.533 N/A ILE 48.A N ILE 33.A O no hydrogen 2.771 N/A ARG 51.A NE GLU 226.A OE1 no hydrogen 3.419 N/A ARG 51.A NE GLU 226.A OE2 no hydrogen 3.003 N/A ARG 51.A NH1 SER 133.A OG no hydrogen 2.933 N/A ARG 51.A NH1 ASP 136.A OD2 no hydrogen 2.725 N/A ARG 51.A NH2 ASP 136.A OD2 no hydrogen 2.992 N/A ARG 51.A NH2 GLU 226.A OE1 no hydrogen 2.743 N/A THR 52.A OG1 ASP 136.A OD2 no hydrogen 2.688 N/A GLN 53.A N PRO 49.A O no hydrogen 3.238 N/A GLN 53.A NE2 GLN 31.A O no hydrogen 2.940 N/A GLN 53.A NE2 ILE 48.A O no hydrogen 3.115 N/A GLN 53.A NE2 PRO 49.A O no hydrogen 3.345 N/A ASN 54.A N ARG 51.A O no hydrogen 2.962 N/A LEU 55.A N THR 52.A O no hydrogen 3.188 N/A CYS 56.A N GLU 90.A OE1 no hydrogen 2.909 N/A CYS 56.A SG ALA 86.A O no hydrogen 3.758 N/A LEU 60.A N VAL 57.A O no hydrogen 2.985 N/A ASP 62.A N ARG 68.A O no hydrogen 2.821 N/A LYS 63.A NZ GLY 12.A O no hydrogen 2.834 N/A SER 64.A N ASP 62.A OD1 no hydrogen 3.179 N/A SER 64.A OG ASP 62.A OD1 no hydrogen 3.049 N/A SER 64.A OG ASP 62.A OD2 no hydrogen 3.395 N/A GLY 67.A N SER 64.A O no hydrogen 3.217 N/A ARG 68.A N ASP 62.A O no hydrogen 2.687 N/A ARG 68.A NH1 SER 64.A O no hydrogen 3.054 N/A ARG 68.A NH1 TYR 65.A O no hydrogen 2.916 N/A ARG 68.A NH2 ASP 62.A OD2 no hydrogen 2.995 N/A ARG 68.A NH2 SER 64.A O no hydrogen 2.635 N/A ARG 68.A NH2 SER 64.A OG no hydrogen 3.039 N/A SER 69.A OG ASP 158.A OD2 no hydrogen 2.908 N/A ASN 70.A N LEU 60.A O no hydrogen 3.065 N/A ASN 70.A ND2 GLU 59.A O no hydrogen 2.691 N/A ILE 71.A N SER 69.A OG no hydrogen 3.319 N/A ASP 74.A N ILE 71.A O no hydrogen 3.375 N/A LYS 76.A NZ GLU 77.A OE2 no hydrogen 3.014 N/A LYS 76.A NZ GLY 166.A O no hydrogen 2.814 N/A LEU 78.A N THR 75.A OG1 no hydrogen 3.024 N/A LEU 79.A N THR 75.A O no hydrogen 3.003 N/A LYS 80.A N LYS 76.A O no hydrogen 2.970 N/A LYS 80.A NZ GLU 185.A OE1 no hydrogen 3.271 N/A LYS 80.A NZ GLU 185.A OE2 no hydrogen 3.091 N/A GLU 81.A N GLU 77.A O no hydrogen 3.073 N/A LYS 82.A N LEU 78.A O no hydrogen 2.941 N/A LYS 82.A NZ ASP 74.A OD1 no hydrogen 3.530 N/A LYS 82.A NZ ASP 74.A OD2 no hydrogen 2.626 N/A ILE 83.A N LEU 79.A O no hydrogen 2.904 N/A LYS 84.A N LYS 80.A O no hydrogen 2.951 N/A ASN 85.A N GLU 81.A O no hydrogen 3.006 N/A ALA 86.A N LYS 82.A O no hydrogen 3.084 N/A ILE 87.A N ILE 83.A O no hydrogen 2.878 N/A HIS 88.A N LYS 84.A O no hydrogen 2.868 N/A LYS 89.A N ASN 85.A O no hydrogen 2.900 N/A GLU 90.A N ALA 86.A O no hydrogen 2.720 N/A THR 91.A N ILE 87.A O no hydrogen 3.011 N/A THR 91.A OG1 ILE 87.A O no hydrogen 2.980 N/A GLU 92.A N HIS 88.A O no hydrogen 3.093 N/A LEU 93.A N LYS 89.A O no hydrogen 2.881 N/A LEU 94.A N GLU 90.A O no hydrogen 2.849 N/A TYR 95.A N THR 91.A O no hydrogen 2.961 N/A GLU 96.A N GLU 92.A O no hydrogen 3.154 N/A TYR 97.A N LEU 93.A O no hydrogen 2.979 N/A TYR 97.A OH GLY 20.A O no hydrogen 2.572 N/A HIS 98.A N LEU 94.A O no hydrogen 3.021 N/A HIS 98.A N TYR 95.A O no hydrogen 3.266 N/A HIS 98.A ND1 LEU 94.A O no hydrogen 2.784 N/A ASP 99.A N TYR 95.A O no hydrogen 2.746 N/A THR 100.A N GLU 96.A O no hydrogen 2.940 N/A THR 100.A OG1 GLU 96.A O no hydrogen 2.804 N/A THR 100.A OG1 TYR 97.A O no hydrogen 3.328 N/A THR 100.A OG1 THR 102.A OG1 no hydrogen 2.765 N/A GLY 101.A N HIS 98.A O no hydrogen 3.071 N/A THR 102.A N TYR 97.A O no hydrogen 3.119 N/A THR 102.A OG1 THR 100.A OG1 no hydrogen 2.765 N/A ALA 103.A N TYR 97.A O no hydrogen 3.065 N/A ILE 104.A N ASP 19.A OD2 no hydrogen 2.799 N/A SER 106.A N ALA 103.A O no hydrogen 2.835 N/A SER 106.A OG HIS 98.A O no hydrogen 3.564 N/A SER 106.A OG ALA 103.A O no hydrogen 2.659 N/A LYS 107.A N ILE 104.A O no hydrogen 3.118 N/A LYS 107.A NZ GLY 101.A O no hydrogen 2.821 N/A ASN 108.A ND2 LYS 114.A O no hydrogen 2.836 N/A LYS 110.A N ASN 108.A OD1 no hydrogen 2.987 N/A LYS 110.A NZ GLN 113.A OE1 no hydrogen 2.621 N/A GLN 113.A N LYS 110.A O no hydrogen 3.353 N/A ASP 118.A N LEU 122.A O no hydrogen 3.045 N/A ASN 120.A N ASP 118.A OD1 no hydrogen 3.106 N/A GLY 121.A N ASP 118.A O no hydrogen 2.500 N/A LEU 122.A N ASP 118.A OD1 no hydrogen 3.084 N/A LYS 124.A NZ GLU 306.A OE2 no hydrogen 2.789 N/A PHE 126.A N PRO 123.A O no hydrogen 3.063 N/A HIS 128.A ND1 GLU 229.A OE1 no hydrogen 2.938 N/A HIS 128.A ND1 GLU 229.A OE2 no hydrogen 2.884 N/A ALA 129.A N GLY 125.A O no hydrogen 2.962 N/A VAL 130.A N PHE 126.A O no hydrogen 2.948 N/A GLN 131.A N CYS 127.A O no hydrogen 2.912 N/A GLN 131.A NE2 CYS 211.A O no hydrogen 3.029 N/A ARG 132.A N HIS 128.A O no hydrogen 2.931 N/A ARG 132.A NH1 GLU 229.A OE1 no hydrogen 2.928 N/A ARG 132.A NH2 GLU 229.A OE1 no hydrogen 2.752 N/A ARG 132.A NH2 TYR 304.A OH no hydrogen 2.845 N/A SER 133.A N ALA 129.A O no hydrogen 2.854 N/A SER 133.A OG GLU 90.A OE2 no hydrogen 2.794 N/A SER 133.A OG ALA 129.A O no hydrogen 3.307 N/A PHE 134.A N VAL 130.A O no hydrogen 2.927 N/A ILE 135.A N GLN 131.A O no hydrogen 3.030 N/A ASP 136.A N ARG 132.A O no hydrogen 2.868 N/A TYR 137.A N SER 133.A O no hydrogen 2.880 N/A TYR 137.A OH CYS 56.A O no hydrogen 2.590 N/A LYS 138.A N PHE 134.A O no hydrogen 2.993 N/A ASN 139.A N ILE 135.A O no hydrogen 2.960 N/A ASN 139.A ND2 THR 144.A OG1 no hydrogen 2.774 N/A MET 140.A N ASP 136.A O no hydrogen 2.962 N/A ILE 141.A N TYR 137.A O no hydrogen 2.864 N/A LEU 142.A N LYS 138.A O no hydrogen 2.921 N/A GLY 143.A N MET 140.A O no hydrogen 3.316 N/A THR 144.A N ASN 139.A O no hydrogen 2.925 N/A GLY 153.A N TYR 149.A O no hydrogen 2.646 N/A LYS 154.A N GLU 150.A O no hydrogen 2.999 N/A LEU 155.A N HIS 151.A O no hydrogen 3.097 N/A GLN 156.A N ILE 152.A O no hydrogen 2.721 N/A GLN 156.A NE2 ASN 139.A O no hydrogen 3.037 N/A GLN 156.A NE2 MET 140.A O no hydrogen 2.705 N/A GLU 157.A N GLY 153.A O no hydrogen 3.186 N/A ASP 158.A N LYS 154.A O no hydrogen 2.730 N/A ILE 159.A N LEU 155.A O no hydrogen 2.948 N/A LYS 160.A N GLN 156.A O no hydrogen 3.441 N/A LYS 161.A N GLU 157.A O no hydrogen 3.205 N/A LYS 161.A NZ GLU 164.A OE1 no hydrogen 3.359 N/A ILE 162.A N ASP 158.A O no hydrogen 3.147 N/A ILE 163.A N ILE 159.A O no hydrogen 2.998 N/A GLU 164.A N LYS 160.A O no hydrogen 3.032 N/A LYS 165.A N LYS 161.A O no hydrogen 3.255 N/A GLY 166.A N ILE 163.A O no hydrogen 3.198 N/A THR 167.A OG1 ILE 163.A O no hydrogen 2.724 N/A ASN 174.A ND2 THR 167.A OG1 no hydrogen 2.950 N/A ASN 174.A ND2 PRO 168.A O no hydrogen 2.978 N/A ASN 176.A N THR 172.A O no hydrogen 3.006 N/A ALA 177.A N GLU 173.A O no hydrogen 3.069 N/A TRP 178.A N ASN 174.A O no hydrogen 2.892 N/A TRP 179.A N VAL 175.A O no hydrogen 2.962 N/A LYS 180.A N ASN 176.A O no hydrogen 3.026 N/A GLY 181.A N ALA 177.A O no hydrogen 2.924 N/A ILE 182.A N TRP 178.A O no hydrogen 3.071 N/A ILE 182.A N TRP 179.A O no hydrogen 3.162 N/A ARG 184.A NH1 SER 214.A OG no hydrogen 2.610 N/A MET 186.A N ILE 182.A O no hydrogen 2.911 N/A TRP 187.A N GLU 183.A O no hydrogen 2.901 N/A TRP 187.A NE1 GLY 212.A O no hydrogen 2.989 N/A ASP 188.A N ARG 184.A O no hydrogen 2.843 N/A ALA 189.A N GLU 185.A O no hydrogen 3.183 N/A ALA 189.A N MET 186.A O no hydrogen 3.127 N/A ARG 191.A N TRP 187.A O no hydrogen 2.913 N/A ARG 191.A NE ASP 188.A OD1 no hydrogen 3.099 N/A ARG 191.A NH1 ASP 209.A OD1 no hydrogen 2.564 N/A ARG 191.A NH2 ASP 188.A OD1 no hydrogen 3.029 N/A CYS 192.A N ASP 188.A O no hydrogen 2.921 N/A CYS 192.A SG HIS 88.A NE2 no hydrogen 3.822 N/A ALA 193.A N ALA 189.A O no hydrogen 3.044 N/A ILE 194.A N VAL 190.A O no hydrogen 3.020 N/A THR 195.A N ARG 191.A O no hydrogen 3.012 N/A THR 195.A OG1 ARG 191.A O no hydrogen 2.982 N/A THR 195.A OG1 ASN 207.A O no hydrogen 3.550 N/A LYS 196.A N CYS 192.A O no hydrogen 3.060 N/A LYS 196.A NZ GLU 92.A OE2 no hydrogen 2.665 N/A ILE 197.A N ILE 194.A O no hydrogen 3.032 N/A ASN 198.A N THR 195.A O no hydrogen 3.364 N/A LYS 199.A N LYS 196.A O no hydrogen 3.242 N/A LYS 200.A N ILE 197.A O no hydrogen 2.994 N/A ASN 201.A ND2 TYR 95.A OH no hydrogen 2.713 N/A ASN 203.A N ASN 201.A OD1 no hydrogen 2.746 N/A SER 204.A OG ILE 205.A O no hydrogen 3.224 N/A ASN 207.A N GLU 210.A OE2 no hydrogen 3.005 N/A GLY 208.A N GLU 210.A OE1 no hydrogen 2.918 N/A ASP 209.A N ASN 207.A OD1 no hydrogen 2.955 N/A GLU 210.A N GLU 210.A OE1 no hydrogen 2.845 N/A GLY 212.A N ASP 209.A O no hydrogen 2.805 N/A GLN 219.A NE2 ASP 136.A OD1 no hydrogen 2.911 N/A SER 220.A N ASP 218.A OD1 no hydrogen 3.082 N/A SER 220.A OG ASP 218.A OD1 no hydrogen 3.035 N/A SER 220.A OG ASP 218.A OD2 no hydrogen 3.544 N/A SER 222.A N ASP 218.A O no hydrogen 3.021 N/A TRP 223.A N GLN 219.A O no hydrogen 2.815 N/A TRP 223.A NE1 ASP 136.A OD1 no hydrogen 2.869 N/A PHE 224.A N SER 220.A O no hydrogen 3.006 N/A LYS 225.A N VAL 221.A O no hydrogen 2.860 N/A LYS 225.A NZ ASN 303.A OD1 no hydrogen 3.497 N/A GLU 226.A N SER 222.A O no hydrogen 3.010 N/A TRP 227.A N TRP 223.A O no hydrogen 2.871 N/A TRP 227.A NE1 GLU 279.A OE1 no hydrogen 2.662 N/A GLY 228.A N PHE 224.A O no hydrogen 2.884 N/A GLU 229.A N LYS 225.A O no hydrogen 2.904 N/A GLN 230.A N GLU 226.A O no hydrogen 2.953 N/A GLN 230.A NE2 GLU 234.A OE1 no hydrogen 3.094 N/A PHE 231.A N TRP 227.A O no hydrogen 2.847 N/A CYS 232.A N GLY 228.A O no hydrogen 2.805 N/A CYS 232.A SG GLY 228.A O no hydrogen 3.244 N/A ILE 233.A N GLU 229.A O no hydrogen 3.028 N/A GLU 234.A N GLN 230.A O no hydrogen 2.913 N/A ARG 235.A N PHE 231.A O no hydrogen 2.833 N/A ARG 235.A NE ASP 330.A OD2 no hydrogen 2.826 N/A ARG 235.A NH1 SER 309.A OG no hydrogen 3.030 N/A ARG 235.A NH2 ASP 330.A OD2 no hydrogen 2.679 N/A LEU 236.A N CYS 232.A O no hydrogen 3.076 N/A ARG 237.A N ILE 233.A O no hydrogen 3.184 N/A ARG 237.A NH1 ASN 108.A O no hydrogen 3.000 N/A TYR 238.A N GLU 234.A O no hydrogen 2.874 N/A GLU 239.A N ARG 235.A O no hydrogen 2.840 N/A GLN 240.A N LEU 236.A O no hydrogen 2.924 N/A GLN 240.A NE2 GLU 244.A OE2 no hydrogen 2.699 N/A ASN 241.A N ARG 237.A O no hydrogen 3.043 N/A ILE 242.A N TYR 238.A O no hydrogen 2.859 N/A ARG 243.A N GLU 239.A O no hydrogen 2.796 N/A ARG 243.A NE GLU 239.A OE2 no hydrogen 2.856 N/A ARG 243.A NH2 GLU 239.A OE2 no hydrogen 3.403 N/A GLU 244.A N GLN 240.A O no hydrogen 2.782 N/A ALA 245.A N ASN 241.A O no hydrogen 3.051 N/A CYS 246.A N ILE 242.A O no hydrogen 2.733 N/A CYS 246.A SG ILE 242.A O no hydrogen 3.155 N/A THR 247.A N ARG 243.A O no hydrogen 2.911 N/A CYS 251.A SG SER 336.A O no hydrogen 3.869 N/A SER 254.A OG GLY 255.A O no hydrogen 2.944 N/A LYS 257.A N ILE 252.A O no hydrogen 3.256 N/A LYS 263.A N GLN 259.A O no hydrogen 3.407 N/A ARG 264.A N GLY 260.A O no hydrogen 3.036 N/A LYS 265.A N ALA 261.A O no hydrogen 2.916 N/A CYS 266.A N CYS 262.A O no hydrogen 3.052 N/A CYS 266.A SG CYS 262.A O no hydrogen 3.024 N/A GLU 267.A N LYS 263.A O no hydrogen 2.954 N/A LYS 268.A N ARG 264.A O no hydrogen 2.995 N/A TYR 269.A N LYS 265.A O no hydrogen 3.385 N/A TYR 269.A OH ASP 330.A OD1 no hydrogen 2.611 N/A LYS 270.A N CYS 266.A O no hydrogen 3.097 N/A LYS 270.A NZ PRO 327.A O no hydrogen 2.782 N/A LYS 271.A N GLU 267.A O no hydrogen 2.925 N/A LYS 271.A NZ GLU 275.A OE1 no hydrogen 3.407 N/A TYR 272.A N LYS 268.A O no hydrogen 2.853 N/A TYR 272.A OH GLU 234.A OE1 no hydrogen 2.609 N/A ILE 273.A N TYR 269.A O no hydrogen 2.890 N/A SER 274.A N LYS 270.A O no hydrogen 3.149 N/A SER 274.A OG LYS 271.A O no hydrogen 2.811 N/A GLU 275.A N LYS 271.A O no hydrogen 3.019 N/A GLU 275.A N TYR 272.A O no hydrogen 2.998 N/A LYS 276.A N TYR 272.A O no hydrogen 2.880 N/A LYS 276.A NZ GLU 279.A OE1 no hydrogen 2.721 N/A LYS 277.A N ILE 273.A O no hydrogen 2.860 N/A TRP 280.A N LYS 276.A O no hydrogen 2.984 N/A ASP 281.A N LYS 277.A O no hydrogen 3.013 N/A LYS 282.A N GLN 278.A O no hydrogen 3.062 N/A LYS 282.A NZ ASP 36.A OD1 no hydrogen 2.921 N/A GLN 283.A N GLU 279.A O no hydrogen 3.057 N/A GLN 283.A NE2 GLU 279.A O no hydrogen 3.052 N/A LYS 284.A N TRP 280.A O no hydrogen 2.692 N/A LYS 284.A NZ GLU 288.A OE1 no hydrogen 3.102 N/A THR 285.A N ASP 281.A O no hydrogen 3.019 N/A THR 285.A OG1 ASP 281.A O no hydrogen 2.912 N/A LYS 286.A N LYS 282.A O no hydrogen 2.968 N/A LYS 286.A NZ THR 43.A O no hydrogen 2.929 N/A LYS 286.A NZ THR 43.A OG1 no hydrogen 3.420 N/A LYS 286.A NZ ASN 44.A O no hydrogen 3.223 N/A LYS 286.A NZ GLY 45.A O no hydrogen 2.709 N/A TYR 287.A N GLN 283.A O no hydrogen 2.846 N/A GLU 288.A N LYS 284.A O no hydrogen 2.848 N/A ASN 289.A N THR 285.A O no hydrogen 3.262 N/A LYS 290.A NZ ASP 42.A OD2 no hydrogen 3.518 N/A TYR 291.A N TYR 287.A O no hydrogen 2.850 N/A TYR 291.A OH ASP 218.A OD2 no hydrogen 2.543 N/A LYS 294.A N TYR 291.A O no hydrogen 3.022 N/A ALA 296.A N GLU 288.A OE2 no hydrogen 2.781 N/A ASP 298.A N SER 295.A OG no hydrogen 3.266 N/A LEU 299.A N SER 295.A O no hydrogen 3.038 N/A LEU 300.A N ALA 296.A O no hydrogen 3.260 N/A LYS 301.A N SER 297.A O no hydrogen 2.978 N/A LYS 301.A NZ CYS 307.A O no hydrogen 3.499 N/A LYS 301.A NZ ILE 308.A O no hydrogen 2.730 N/A LYS 301.A NZ ALA 310.A O no hydrogen 2.598 N/A GLU 302.A N ASP 298.A O no hydrogen 2.911 N/A ASN 303.A N LEU 300.A O no hydrogen 3.250 N/A ASN 303.A ND2 LEU 299.A O no hydrogen 2.686 N/A TYR 304.A N LEU 300.A O no hydrogen 3.021 N/A GLU 306.A N GLU 306.A OE1 no hydrogen 2.791 N/A CYS 307.A N TYR 304.A O no hydrogen 2.917 N/A CYS 307.A SG GLY 228.A O no hydrogen 3.607 N/A ILE 308.A N PRO 305.A O no hydrogen 3.270 N/A ALA 310.A N CYS 307.A O no hydrogen 2.944 N/A PHE 314.A N ASN 311.A OD1 no hydrogen 3.005 N/A ILE 315.A N ASN 311.A O no hydrogen 2.723 N/A PHE 316.A N PHE 312.A O no hydrogen 2.944 N/A ASN 317.A N PHE 314.A O no hydrogen 3.238 N/A ASN 317.A ND2 ASP 313.A O no hydrogen 3.320 N/A ASN 319.A N ASN 317.A OD1 no hydrogen 2.858 N/A THR 324.A OG1 GLU 321.A O no hydrogen 3.296 N/A TYR 325.A N GLU 321.A O no hydrogen 2.887 N/A TYR 326.A N TYR 322.A O no hydrogen 2.880 N/A TYR 328.A N SER 332.A OG no hydrogen 2.951 N/A GLY 329.A N TYR 326.A O no hydrogen 3.103 N/A TYR 331.A N TYR 328.A O no hydrogen 3.119 N/A TYR 331.A OH GLU 239.A OE1 no hydrogen 2.707 N/A SER 332.A N GLY 329.A O no hydrogen 3.115 N/A SER 332.A OG GLY 329.A O no hydrogen 2.715 N/A CYS 335.A N TYR 331.A O no hydrogen 3.086 N/A CYS 335.A SG TYR 331.A O no hydrogen 3.281 N/A SER 336.A OG SER 333.A O no hydrogen 2.731 N/A