Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qub_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NE GLU 105.A OE1 no hydrogen 3.024 N/A ARG 2.A NH1 TRP 219.A O no hydrogen 3.057 N/A ARG 2.A NH1 ILE 222.A O no hydrogen 2.580 N/A ARG 2.A NH2 GLU 105.A OE1 no hydrogen 3.373 N/A ARG 2.A NH2 GLU 105.A OE2 no hydrogen 2.743 N/A ARG 2.A NH2 TRP 219.A O no hydrogen 3.296 N/A LYS 4.A N MET 1.A O no hydrogen 3.308 N/A LYS 4.A NZ ASP 165.A OD2 no hydrogen 2.911 N/A LYS 6.A N GLU 166.A O no hydrogen 2.775 N/A LYS 6.A NZ GLU 166.A OE2 no hydrogen 3.297 N/A ALA 7.A N GLU 166.A O no hydrogen 3.209 N/A VAL 8.A N THR 108.A O no hydrogen 2.860 N/A LEU 9.A N VAL 168.A O no hydrogen 2.680 N/A PHE 10.A N MET 110.A O no hydrogen 2.834 N/A ASP 11.A N ILE 170.A O no hydrogen 3.032 N/A GLY 14.A N PHE 17.A O no hydrogen 2.846 N/A VAL 15.A N MET 12.A O no hydrogen 3.123 N/A LEU 16.A N MET 12.A O no hydrogen 2.733 N/A PHE 17.A N MET 12.A O no hydrogen 3.163 N/A ASN 18.A N GLU 90.A O no hydrogen 2.767 N/A SER 19.A OG ASP 13.A OD1 no hydrogen 2.676 N/A SER 19.A OG PHE 17.A O no hydrogen 3.419 N/A TYR 22.A OH PRO 87.A O no hydrogen 2.569 N/A HIS 23.A N SER 19.A O no hydrogen 2.872 N/A HIS 23.A NE2 ASP 13.A OD1 no hydrogen 2.904 N/A SER 24.A N MET 20.A O no hydrogen 2.969 N/A SER 24.A OG PRO 21.A O no hydrogen 3.321 N/A GLU 25.A N PRO 21.A O no hydrogen 2.961 N/A ALA 26.A N TYR 22.A O no hydrogen 2.813 N/A TRP 27.A N HIS 23.A O no hydrogen 2.864 N/A HIS 28.A N SER 24.A O no hydrogen 3.020 N/A HIS 28.A ND1 LEU 38.A O no hydrogen 2.819 N/A GLN 29.A N GLU 25.A O no hydrogen 3.058 N/A GLN 29.A NE2 GLU 25.A OE2 no hydrogen 2.869 N/A VAL 30.A N ALA 26.A O no hydrogen 2.998 N/A MET 31.A N TRP 27.A O no hydrogen 3.037 N/A LYS 32.A N HIS 28.A O no hydrogen 2.960 N/A THR 33.A N GLN 29.A O no hydrogen 2.969 N/A THR 33.A OG1 GLN 29.A O no hydrogen 3.009 N/A HIS 34.A N VAL 30.A O no hydrogen 2.979 N/A GLY 35.A N MET 31.A O no hydrogen 2.881 N/A GLY 35.A N LYS 32.A O no hydrogen 3.282 N/A LEU 36.A N MET 31.A O no hydrogen 2.787 N/A SER 39.A OG.B GLU 41.A OE1.A no hydrogen 2.598 N/A ARG 40.A NE GLU 25.A OE1 no hydrogen 2.601 N/A ARG 40.A NH2 GLU 25.A OE1 no hydrogen 3.394 N/A ARG 40.A NH2 GLU 25.A OE2 no hydrogen 3.206 N/A GLU 42.A N SER 39.A OG.A no hydrogen 2.955 N/A ALA 43.A N SER 39.A O no hydrogen 2.930 N/A TYR 44.A N ARG 40.A O no hydrogen 3.385 N/A MET 45.A N GLU 42.A O no hydrogen 3.050 N/A HIS 46.A N ALA 43.A O no hydrogen 3.073 N/A ALA 47.A N TYR 44.A O no hydrogen 3.354 N/A ARG 49.A N HIS 46.A O no hydrogen 3.268 N/A SER 53.A N THR 50.A OG1 no hydrogen 3.100 N/A THR 54.A N THR 50.A O no hydrogen 2.892 N/A THR 54.A OG1 THR 50.A O no hydrogen 2.836 N/A ILE 55.A N GLY 51.A O no hydrogen 2.937 N/A ASN 56.A N ALA 52.A O no hydrogen 3.148 N/A ASN 56.A ND2 GLU 66.A OE1 no hydrogen 2.962 N/A ASN 56.A ND2 GLU 66.A OE2 no hydrogen 3.407 N/A ILE 57.A N SER 53.A O no hydrogen 3.033 N/A VAL 58.A N THR 54.A O no hydrogen 2.943 N/A PHE 59.A N ILE 55.A O no hydrogen 2.917 N/A GLN 60.A N ASN 56.A O no hydrogen 2.965 N/A GLN 60.A NE2.A GLU 66.A OE2 no hydrogen 2.809 N/A GLN 60.A NE2.B GLU 66.A OE2 no hydrogen 2.596 N/A ARG 61.A N ILE 57.A O no hydrogen 2.956 N/A GLU 62.A N VAL 58.A O no hydrogen 2.993 N/A LEU 63.A N PHE 59.A O no hydrogen 2.820 N/A GLY 64.A N GLN 60.A O no hydrogen 3.085 N/A ALA 67.A N ASN 56.A OD1 no hydrogen 2.950 N/A THR 68.A N GLU 71.A OE1 no hydrogen 2.914 N/A GLN 69.A NE2 GLU 73.A OE1.A no hydrogen 3.400 N/A GLU 71.A N THR 68.A OG1 no hydrogen 3.051 N/A ILE 72.A N THR 68.A O no hydrogen 2.999 N/A GLU 73.A N GLN 69.A O no hydrogen 3.020 N/A SER 74.A N GLU 70.A O no hydrogen 2.826 N/A SER 74.A OG.A GLU 70.A O no hydrogen 2.890 N/A SER 74.A OG.A GLU 70.A OE1.B no hydrogen 2.866 N/A SER 74.A OG.B GLU 70.A OE1.B no hydrogen 3.443 N/A SER 74.A OG.B GLU 71.A O no hydrogen 3.388 N/A ILE 75.A N GLU 71.A O no hydrogen 2.938 N/A TYR 76.A N ILE 72.A O no hydrogen 2.889 N/A HIS 77.A N GLU 73.A O no hydrogen 2.975 N/A GLU 78.A N SER 74.A O no hydrogen 3.132 N/A LYS 79.A N ILE 75.A O no hydrogen 2.823 N/A LYS 79.A NZ HIS 23.A ND1 no hydrogen 2.779 N/A SER 80.A N TYR 76.A O no hydrogen 3.036 N/A SER 80.A OG TYR 76.A O no hydrogen 3.136 N/A ILE 81.A N HIS 77.A O no hydrogen 3.170 N/A LEU 82.A N GLU 78.A O no hydrogen 3.015 N/A PHE 83.A N LYS 79.A O no hydrogen 2.807 N/A ASN 84.A N SER 80.A O no hydrogen 2.971 N/A ASN 84.A ND2 SER 80.A O no hydrogen 2.834 N/A ASN 84.A ND2 GLN 117.A OE1 no hydrogen 3.367 N/A SER 85.A N LEU 82.A O no hydrogen 3.046 N/A SER 85.A OG LEU 82.A O no hydrogen 2.726 N/A TYR 86.A N PHE 83.A O no hydrogen 3.482 N/A ARG 91.A NH2 ASN 127.A OD1 no hydrogen 2.846 N/A MET 92.A N LEU 16.A O no hydrogen 2.958 N/A ALA 95.A N MET 92.A O no hydrogen 3.126 N/A LEU 98.A N GLY 94.A O no hydrogen 2.935 N/A LEU 99.A N ALA 95.A O no hydrogen 2.945 N/A GLN 100.A N TRP 96.A O no hydrogen 3.078 N/A LYS 101.A N GLU 97.A O no hydrogen 3.198 N/A LYS 101.A NZ CYS 216.A O no hydrogen 2.702 N/A VAL 102.A N LEU 98.A O no hydrogen 2.854 N/A LYS 103.A N LEU 99.A O no hydrogen 2.986 N/A LYS 103.A NZ.A GLY 130.A O no hydrogen 2.982 N/A SER 104.A N GLN 100.A O no hydrogen 3.095 N/A SER 104.A OG.A GLN 100.A O no hydrogen 3.093 N/A SER 104.A OG.B GLN 100.A O no hydrogen 3.314 N/A SER 104.A OG.B LYS 101.A O no hydrogen 2.850 N/A GLU 105.A N LYS 101.A O no hydrogen 3.037 N/A GLU 105.A N VAL 102.A O no hydrogen 3.309 N/A GLY 106.A N LYS 103.A O no hydrogen 2.991 N/A LEU 107.A N VAL 102.A O no hydrogen 3.179 N/A THR 108.A N LYS 6.A O no hydrogen 2.832 N/A THR 108.A OG1 LYS 6.A O no hydrogen 3.492 N/A MET 110.A N VAL 8.A O no hydrogen 2.842 N/A VAL 112.A N PHE 10.A O no hydrogen 2.793 N/A THR 113.A N VAL 138.A O no hydrogen 2.831 N/A SER 115.A N THR 113.A OG1 no hydrogen 3.051 N/A GLN 117.A N SER 115.A OG no hydrogen 2.974 N/A GLN 117.A NE2 SER 80.A OG no hydrogen 2.883 N/A SER 119.A OG ASN 84.A OD1 no hydrogen 2.693 N/A LEU 121.A N GLN 117.A O no hydrogen 3.097 N/A GLU 122.A N LEU 118.A O no hydrogen 2.859 N/A ARG 123.A N SER 119.A O no hydrogen 3.225 N/A ARG 123.A N LEU 120.A O no hydrogen 3.125 N/A ARG 123.A NH1 ALA 89.A O no hydrogen 2.940 N/A ARG 123.A NH2 ALA 89.A O no hydrogen 2.905 N/A LEU 124.A N LEU 121.A O no hydrogen 3.318 N/A ASN 127.A N ARG 123.A O no hydrogen 3.070 N/A ASN 127.A ND2 ARG 123.A O no hydrogen 2.877 N/A PHE 128.A N LEU 124.A O no hydrogen 2.842 N/A GLY 130.A N GLU 125.A OE2 no hydrogen 2.966 N/A MET 131.A N PHE 128.A O no hydrogen 3.259 N/A LEU 136.A N HIS 133.A O no hydrogen 2.920 N/A VAL 138.A N VAL 111.A O no hydrogen 2.779 N/A THR 139.A N ASP 142.A OD2 no hydrogen 2.910 N/A ALA 140.A N SER 115.A O no hydrogen 3.094 N/A PHE 141.A N THR 139.A OG1 no hydrogen 3.392 N/A ASP 142.A N THR 139.A O no hydrogen 3.039 N/A VAL 143.A N ALA 140.A O no hydrogen 3.425 N/A LYS 144.A N GLU 151.A OE1 no hydrogen 3.332 N/A LYS 144.A N GLU 151.A OE2 no hydrogen 2.919 N/A TYR 145.A N GLU 151.A OE1 no hydrogen 2.849 N/A GLY 146.A N GLU 151.A OE1 no hydrogen 2.820 N/A LYS 147.A NZ VAL 112.A O no hydrogen 2.899 N/A LYS 147.A NZ GLU 171.A OE2 no hydrogen 2.776 N/A TYR 153.A OH GLU 171.A OE2 no hydrogen 2.688 N/A LEU 154.A N PRO 150.A O no hydrogen 2.945 N/A MET 155.A N GLU 151.A O no hydrogen 2.910 N/A ALA 156.A N PRO 152.A O no hydrogen 2.908 N/A LEU 157.A N TYR 153.A O no hydrogen 3.109 N/A LYS 158.A N LEU 154.A O no hydrogen 3.212 N/A LYS 159.A N MET 155.A O no hydrogen 2.925 N/A LYS 159.A NZ MET 137.A O no hydrogen 2.849 N/A LYS 159.A NZ ASP 142.A OD1 no hydrogen 3.225 N/A LYS 159.A NZ ASP 142.A OD2 no hydrogen 3.484 N/A GLY 160.A N ALA 156.A O no hydrogen 2.968 N/A GLY 161.A N LYS 158.A O no hydrogen 2.971 N/A LEU 162.A N LEU 157.A O no hydrogen 2.682 N/A LYS 163.A N GLU 166.A OE1 no hydrogen 2.818 N/A GLU 166.A N LYS 163.A O no hydrogen 2.879 N/A VAL 168.A N ALA 7.A O no hydrogen 3.140 N/A VAL 169.A N PHE 186.A O no hydrogen 2.964 N/A ILE 170.A N LEU 9.A O no hydrogen 2.926 N/A GLU 171.A N ILE 188.A O no hydrogen 2.922 N/A VAL 177.A N ALA 173.A O no hydrogen 2.832 N/A GLU 178.A N PRO 174.A O no hydrogen 2.923 N/A ALA 179.A N LEU 175.A O no hydrogen 3.153 N/A GLY 180.A N GLY 176.A O no hydrogen 3.021 N/A HIS 181.A N VAL 177.A O no hydrogen 2.856 N/A LYS 182.A N GLU 178.A O no hydrogen 2.913 N/A LYS 182.A NZ GLU 178.A OE2 no hydrogen 3.336 N/A ALA 183.A N ALA 179.A O no hydrogen 3.160 N/A GLY 184.A N HIS 181.A O no hydrogen 2.849 N/A ILE 185.A N GLY 180.A O no hydrogen 3.109 N/A THR 187.A N ASP 206.A OD2 no hydrogen 2.746 N/A THR 187.A OG1 ILE 185.A O no hydrogen 3.093 N/A ILE 188.A N VAL 169.A O no hydrogen 2.701 N/A ALA 189.A N LEU 207.A O no hydrogen 2.859 N/A VAL 190.A N GLU 171.A O no hydrogen 2.731 N/A ASN 191.A N PHE 209.A O no hydrogen 2.814 N/A ASN 191.A ND2 LEU 195.A O no hydrogen 3.098 N/A THR 192.A N VAL 190.A O no hydrogen 3.095 N/A THR 192.A OG1 GLY 14.A O no hydrogen 2.741 N/A VAL 199.A N ASP 196.A O no hydrogen 3.322 N/A ASP 202.A N GLN 198.A O no hydrogen 2.948 N/A ALA 203.A N VAL 199.A O no hydrogen 3.235 N/A ALA 203.A N LEU 200.A O no hydrogen 3.263 N/A GLY 204.A N LEU 201.A O no hydrogen 3.091 N/A ALA 205.A N LEU 200.A O no hydrogen 3.351 N/A ASP 206.A N THR 187.A O no hydrogen 2.860 N/A LEU 207.A N THR 187.A O no hydrogen 3.471 N/A PHE 209.A N ALA 189.A O no hydrogen 2.900 N/A SER 211.A N THR 214.A OG1 no hydrogen 3.272 N/A SER 211.A OG THR 214.A OG1 no hydrogen 2.877 N/A GLN 213.A NE2 GLU 97.A OE1 no hydrogen 2.818 N/A GLN 213.A NE2 GLN 213.A O no hydrogen 3.640 N/A GLN 213.A NE2 ASP 217.A OD1 no hydrogen 3.340 N/A THR 214.A N SER 211.A OG no hydrogen 3.260 N/A THR 214.A OG1 SER 211.A O no hydrogen 3.178 N/A THR 214.A OG1 SER 211.A OG no hydrogen 2.877 N/A LEU 215.A N SER 211.A O no hydrogen 3.221 N/A CYS 216.A N MET 212.A O no hydrogen 2.858 N/A CYS 216.A SG GLY 94.A O no hydrogen 4.017 N/A ASP 217.A N GLN 213.A O no hydrogen 2.782 N/A SER 218.A N THR 214.A O no hydrogen 3.050 N/A SER 218.A OG THR 214.A O no hydrogen 3.061 N/A TRP 219.A N CYS 216.A O no hydrogen 3.388 N/A TRP 219.A NE1 GLU 105.A OE2 no hydrogen 2.885 N/A THR 221.A N SER 218.A O no hydrogen 3.131 N/A THR 221.A OG1 SER 218.A O no hydrogen 3.250 N/A