Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6pue_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A NE2 ASP 91.A OD2 no hydrogen 2.992 N/A ASN 2.A N GLN 24.A O no hydrogen 2.877 N/A ASN 2.A ND2 ASP 4.A OD2 no hydrogen 2.530 N/A ASN 2.A ND2 GLN 24.A OE1 no hydrogen 2.916 N/A ASP 4.A N THR 22.A O no hydrogen 2.777 N/A GLN 5.A NE2 TYR 85.A O no hydrogen 2.846 N/A GLN 5.A NE2 THR 102.A OG1 no hydrogen 2.985 N/A MET 9.A N LYS 103.A O no hydrogen 2.850 N/A ALA 11.A N ILE 105.A O no hydrogen 3.014 N/A GLU 13.A N LYS 107.A O no hydrogen 2.922 N/A GLY 14.A N LEU 77.A O no hydrogen 2.671 N/A ALA 15.A N THR 12.A O no hydrogen 2.959 N/A VAL 17.A N LEU 74.A O no hydrogen 3.052 N/A GLN 18.A NE2 ASN 20.A OD1 no hydrogen 2.796 N/A ILE 19.A N LEU 72.A O no hydrogen 2.843 N/A CYS 21.A N SER 70.A O no hydrogen 2.737 N/A THR 22.A N ASP 4.A O no hydrogen 2.932 N/A TYR 23.A N GLY 68.A O no hydrogen 2.998 N/A GLN 24.A N ASN 2.A O no hydrogen 2.807 N/A THR 25.A OG1 GLY 27.A O no hydrogen 2.677 N/A SER 26.A N GLN 1.A OE1 no hydrogen 2.537 N/A SER 26.A OG GLN 1.A OE1 no hydrogen 2.812 N/A ASN 29.A N LYS 90.A O no hydrogen 2.773 N/A ASN 29.A ND2 ASP 91.A O no hydrogen 3.005 N/A LEU 31.A N ASN 48.A O no hydrogen 2.826 N/A PHE 32.A N ALA 88.A O no hydrogen 2.725 N/A TRP 33.A N SER 46.A O no hydrogen 2.987 N/A TRP 33.A NE1 SER 70.A OG no hydrogen 3.028 N/A TYR 34.A N LEU 86.A O no hydrogen 2.783 N/A GLN 35.A N THR 43.A O no hydrogen 2.845 N/A GLN 36.A N SER 84.A O no hydrogen 2.773 N/A GLN 36.A NE2 GLU 40.A O no hydrogen 2.894 N/A HIS 37.A NE2 LYS 80.A O no hydrogen 3.070 N/A GLU 40.A N HIS 37.A O no hydrogen 2.919 N/A THR 43.A N GLN 35.A O no hydrogen 2.708 N/A THR 43.A OG1 GLN 35.A O no hydrogen 3.483 N/A LEU 45.A N TRP 33.A O no hydrogen 2.756 N/A SER 46.A N TRP 33.A O no hydrogen 3.254 N/A SER 46.A OG SER 61.A OG.B no hydrogen 2.661 N/A TYR 47.A OH ASN 29.A O no hydrogen 2.787 N/A ASN 48.A N LEU 31.A O no hydrogen 2.955 N/A ASN 48.A ND2 GLY 52.A O no hydrogen 3.637 N/A ASN 48.A ND2 SER 61.A O no hydrogen 3.048 N/A GLY 52.A N LEU 63.A O no hydrogen 3.258 N/A GLU 54.A N SER 61.A O no hydrogen 2.995 N/A LYS 56.A N PHE 59.A O no hydrogen 2.699 N/A LYS 56.A NZ LEU 45.A O no hydrogen 3.029 N/A ARG 58.A NH1 LYS 75.A O no hydrogen 3.046 N/A ARG 58.A NH1 ASP 81.A OD1 no hydrogen 2.887 N/A ARG 58.A NH2 ASP 81.A OD1 no hydrogen 3.538 N/A ARG 58.A NH2 ASP 81.A OD2 no hydrogen 2.930 N/A PHE 59.A N LYS 56.A O no hydrogen 3.163 N/A SER 60.A N LEU 73.A O no hydrogen 2.844 N/A SER 61.A N GLU 54.A O no hydrogen 2.880 N/A SER 61.A OG.A ASN 48.A OD1 no hydrogen 2.849 N/A SER 61.A OG.B SER 46.A OG no hydrogen 2.661 N/A PHE 62.A N TYR 71.A O no hydrogen 2.961 N/A LEU 63.A N GLY 52.A O no hydrogen 3.033 N/A SER 64.A N TYR 69.A O no hydrogen 2.899 N/A ARG 65.A N ASP 51.A OD2 no hydrogen 2.801 N/A ARG 65.A NE ASP 51.A OD2 no hydrogen 3.317 N/A ARG 65.A NH2 ASP 51.A OD1 no hydrogen 3.162 N/A LYS 67.A N SER 64.A O no hydrogen 3.295 N/A LYS 67.A N SER 64.A OG no hydrogen 3.313 N/A GLY 68.A N ARG 65.A O no hydrogen 3.228 N/A TYR 69.A N SER 64.A O no hydrogen 3.229 N/A TYR 69.A OH ASN 20.A OD1 no hydrogen 2.927 N/A SER 70.A N CYS 21.A O no hydrogen 2.790 N/A SER 70.A OG PHE 62.A O no hydrogen 2.688 N/A TYR 71.A N PHE 62.A O no hydrogen 3.272 N/A LEU 72.A N ILE 19.A O no hydrogen 2.897 N/A LEU 73.A N SER 60.A O no hydrogen 2.706 N/A LEU 74.A N VAL 17.A O no hydrogen 2.965 N/A LYS 75.A N ARG 58.A O no hydrogen 3.010 N/A LYS 75.A NZ GLU 55.A OE1 no hydrogen 3.217 N/A LEU 77.A N ALA 15.A O no hydrogen 2.988 N/A GLN 78.A N ASP 81.A OD1 no hydrogen 2.798 N/A ASP 81.A N GLN 78.A O no hydrogen 2.861 N/A SER 82.A N MET 79.A O no hydrogen 3.042 N/A SER 82.A OG MET 79.A O no hydrogen 3.249 N/A ALA 83.A N LEU 104.A O no hydrogen 3.305 N/A SER 84.A N GLN 36.A O no hydrogen 2.972 N/A TYR 85.A N THR 102.A O no hydrogen 2.821 N/A TYR 85.A OH GLN 35.A OE1 no hydrogen 2.984 N/A TYR 85.A OH ASP 81.A O no hydrogen 2.657 N/A LEU 86.A N TYR 34.A O no hydrogen 2.823 N/A CYS 87.A N.A GLN 5.A OE1 no hydrogen 3.222 N/A CYS 87.A N.B GLN 5.A OE1 no hydrogen 3.232 N/A CYS 87.A SG.B GLN 5.A OE1 no hydrogen 3.427 N/A ALA 88.A N PHE 32.A O no hydrogen 2.960 N/A VAL 89.A N ILE 97.A O no hydrogen 2.847 N/A LYS 90.A N GLY 30.A O no hydrogen 3.022 N/A ASP 91.A N GLN 95.A O no hydrogen 2.973 N/A SER 92.A N SER 26.A O no hydrogen 2.754 N/A SER 92.A OG.A SER 26.A O no hydrogen 3.009 N/A SER 92.A OG.A ASN 93.A OD1 no hydrogen 3.540 N/A ASN 93.A N ASP 91.A OD1 no hydrogen 2.856 N/A TYR 94.A N ASP 91.A O no hydrogen 2.982 N/A GLN 95.A N ASP 91.A OD1 no hydrogen 3.063 N/A ILE 97.A N VAL 89.A O no hydrogen 2.757 N/A GLY 99.A N CYS 87.A O.A no hydrogen 2.685 N/A GLY 99.A N CYS 87.A O.B no hydrogen 2.724 N/A GLY 101.A N GLN 5.A OE1 no hydrogen 3.038 N/A THR 102.A N TYR 85.A O no hydrogen 2.883 N/A THR 102.A OG1 PRO 6.A O no hydrogen 2.653 N/A LYS 103.A N THR 7.A O no hydrogen 2.933 N/A LEU 104.A N ALA 83.A O no hydrogen 2.780 N/A ILE 105.A N MET 9.A O no hydrogen 2.827 N/A LYS 107.A N ALA 11.A O no hydrogen 2.702 N/A ASP 109.A N GLU 13.A OE2 no hydrogen 3.253 N/A ASP 114.A N ASP 132.A O no hydrogen 2.897 N/A ALA 116.A N THR 131.A O no hydrogen 3.122 N/A VAL 117.A N PHE 188.A O no hydrogen 2.952 N/A TYR 118.A N LEU 129.A O no hydrogen 2.747 N/A LEU 120.A N VAL 127.A O no hydrogen 2.796 N/A LYS 124.A N ASP 122.A OD1 no hydrogen 2.971 N/A VAL 127.A N LEU 120.A O no hydrogen 3.249 N/A CYS 128.A N ALA 166.A O no hydrogen 2.847 N/A LEU 129.A N TYR 118.A O no hydrogen 2.837 N/A PHE 130.A N ALA 164.A O no hydrogen 2.951 N/A THR 131.A N ALA 116.A O no hydrogen 2.905 N/A THR 131.A OG1 ASN 162.A O no hydrogen 3.202 N/A ASP 132.A N ASN 162.A O no hydrogen 2.929 N/A SER 135.A OG PRO 108.A O no hydrogen 2.412 N/A GLN 136.A N ASP 134.A OD1 no hydrogen 2.976 N/A THR 137.A N ASP 134.A O no hydrogen 2.967 N/A THR 137.A OG1 ASP 134.A O no hydrogen 3.477 N/A TYR 145.A N TRP 167.A O no hydrogen 3.190 N/A THR 147.A N VAL 165.A O no hydrogen 2.966 N/A THR 147.A OG1 ASP 148.A O no hydrogen 3.243 N/A THR 147.A OG1 VAL 165.A O no hydrogen 3.412 N/A LYS 149.A NZ THR 137.A O no hydrogen 2.906 N/A CYS 150.A N SER 163.A O no hydrogen 2.819 N/A LEU 152.A N SER 161.A O no hydrogen 3.119 N/A MET 154.A N PHE 159.A O no hydrogen 2.888 N/A MET 157.A N MET 154.A O no hydrogen 3.312 N/A ASP 158.A N ARG 155.A O no hydrogen 3.191 N/A PHE 159.A N MET 154.A O no hydrogen 3.246 N/A LYS 160.A NZ GLU 13.A OE1 no hydrogen 2.908 N/A SER 161.A N LEU 152.A O no hydrogen 3.167 N/A ASN 162.A ND2 PHE 133.A O no hydrogen 2.905 N/A SER 163.A N CYS 150.A O no hydrogen 2.824 N/A ALA 164.A N PHE 130.A O no hydrogen 2.773 N/A VAL 165.A N THR 147.A OG1 no hydrogen 2.969 N/A ALA 166.A N CYS 128.A O no hydrogen 3.033 N/A TRP 167.A N TYR 145.A O no hydrogen 3.183 N/A SER 168.A OG ASP 143.A O no hydrogen 3.471 N/A ASN 176.A N ALA 173.A O no hydrogen 3.298 N/A ASN 179.A N ASN 176.A O no hydrogen 3.329 N/A SER 181.A N PHE 178.A O no hydrogen 3.000 N/A ILE 183.A N SER 181.A O no hydrogen 2.996 N/A ASP 186.A N ASP 186.A OD2 no hydrogen 2.355 N/A THR 187.A N PRO 184.A O no hydrogen 3.272 N/A THR 187.A OG1 PRO 184.A O no hydrogen 2.778 N/A PHE 188.A N PRO 115.A O no hydrogen 2.763 N/A