Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pnq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 5.A N PRO 1.A O no hydrogen 3.336 N/A PHE 6.A N ASP 2.A O no hydrogen 3.008 N/A GLN 7.A N ASP 3.A O no hydrogen 2.805 N/A SER 8.A N LYS 4.A O no hydrogen 3.153 N/A VAL 9.A N GLU 5.A O no hydrogen 3.421 N/A GLU 10.A N PHE 6.A O no hydrogen 2.849 N/A GLU 11.A N GLN 7.A O no hydrogen 2.822 N/A GLU 12.A N SER 8.A O no hydrogen 3.033 N/A MET 13.A N VAL 9.A O no hydrogen 2.963 N/A GLN 14.A N GLU 10.A O no hydrogen 2.892 N/A GLN 14.A NE2 GLU 10.A OE2 no hydrogen 3.421 N/A GLN 14.A NE2 TYR 33.A O no hydrogen 2.899 N/A SER 15.A N GLU 11.A O no hydrogen 2.808 N/A SER 15.A OG GLU 11.A O no hydrogen 2.816 N/A THR 16.A OG1 GLU 12.A O no hydrogen 2.723 N/A VAL 17.A N GLN 14.A O no hydrogen 3.462 N/A ARG 18.A N SER 107.A OG no hydrogen 2.918 N/A ARG 18.A NH1 SER 15.A O no hydrogen 3.009 N/A ARG 18.A NH1 VAL 17.A O no hydrogen 2.782 N/A HIS 20.A NE2 SER 107.A OG no hydrogen 2.761 N/A ARG 21.A NH1 GLY 174.A O no hydrogen 2.817 N/A GLY 23.A N HIS 20.A O no hydrogen 3.121 N/A GLY 24.A N ASP 22.A OD1 no hydrogen 2.996 N/A HIS 25.A N ASP 22.A O no hydrogen 3.125 N/A ALA 26.A N ASP 22.A OD2 no hydrogen 2.762 N/A GLY 28.A N GLY 24.A O no hydrogen 2.756 N/A ILE 29.A N SER 129.A OG no hydrogen 3.128 N/A ARG 32.A NE TYR 33.A O no hydrogen 3.004 N/A ARG 32.A NH2 TYR 33.A O no hydrogen 2.921 N/A TYR 33.A N GLN 14.A OE1 no hydrogen 2.964 N/A TYR 33.A OH SER 106.A OG no hydrogen 2.767 N/A ASN 34.A N GLN 197.A O no hydrogen 2.805 N/A ASN 34.A ND2 GLN 197.A OE1 no hydrogen 3.097 N/A LEU 36.A N THR 195.A O no hydrogen 2.774 N/A LYS 37.A N THR 195.A O no hydrogen 3.204 N/A GLN 39.A N LEU 193.A O no hydrogen 2.931 N/A LYS 40.A NZ GLU 5.A OE1 no hydrogen 2.989 N/A VAL 41.A N GLU 191.A O no hydrogen 2.839 N/A ASN 43.A N TYR 189.A OH no hydrogen 3.025 N/A ASN 43.A ND2 ILE 81.A O no hydrogen 3.034 N/A ASN 43.A ND2 HIS 82.A O no hydrogen 3.226 N/A LEU 46.A N ASN 43.A OD1 no hydrogen 3.207 N/A TRP 47.A N ASN 43.A O no hydrogen 2.865 N/A GLU 48.A N LYS 44.A O no hydrogen 2.994 N/A ARG 49.A N LYS 45.A O no hydrogen 3.114 N/A ARG 49.A NH2 PHE 85.A O no hydrogen 2.941 N/A TYR 50.A N LEU 46.A O no hydrogen 2.923 N/A TYR 50.A OH GLU 67.A OE1 no hydrogen 2.620 N/A TYR 50.A OH THR 143.A OG1 no hydrogen 2.776 N/A THR 51.A N TRP 47.A O no hydrogen 2.835 N/A THR 51.A OG1 TRP 47.A O no hydrogen 3.272 N/A THR 51.A OG1 GLU 48.A O no hydrogen 3.532 N/A HIS 52.A N GLU 48.A O no hydrogen 2.945 N/A ARG 53.A N ARG 49.A O no hydrogen 3.264 N/A ARG 53.A NE GLN 187.A OE1 no hydrogen 2.856 N/A ARG 53.A NH1 GLU 56.A OE1 no hydrogen 3.105 N/A ARG 53.A NH2 GLN 187.A OE1 no hydrogen 2.785 N/A ARG 54.A N TYR 50.A O no hydrogen 2.840 N/A ARG 54.A NH1 GLU 67.A OE1 no hydrogen 2.856 N/A LYS 55.A N THR 51.A O no hydrogen 3.058 N/A LYS 55.A NZ GLU 59.A OE1 no hydrogen 2.862 N/A GLU 56.A N HIS 52.A O no hydrogen 3.273 N/A VAL 57.A N ARG 53.A O no hydrogen 2.908 N/A SER 58.A N ARG 54.A O no hydrogen 2.882 N/A SER 58.A OG ARG 54.A O no hydrogen 2.775 N/A GLU 59.A N LYS 55.A O no hydrogen 3.017 N/A GLU 60.A N GLU 56.A O no hydrogen 3.216 N/A GLU 60.A N VAL 57.A O no hydrogen 2.974 N/A ASN 61.A N SER 58.A O no hydrogen 2.953 N/A ASN 61.A ND2 HIS 64.A O no hydrogen 2.750 N/A HIS 64.A N ASN 61.A O no hydrogen 3.227 N/A ASN 66.A ND2 GLY 145.A O no hydrogen 2.906 N/A ARG 68.A N VAL 142.A O no hydrogen 2.894 N/A ARG 68.A NH1 GLU 104.A OE1 no hydrogen 3.466 N/A ARG 68.A NH1 TYR 180.A OH no hydrogen 2.804 N/A ARG 68.A NH2 GLU 104.A OE1 no hydrogen 2.928 N/A LEU 70.A N CYS 140.A O no hydrogen 2.865 N/A PHE 71.A N ALA 103.A O no hydrogen 2.822 N/A HIS 72.A N LEU 138.A O no hydrogen 2.895 N/A HIS 72.A ND1 TYR 101.A O no hydrogen 2.732 N/A PHE 76.A N SER 74.A OG no hydrogen 2.891 N/A ILE 80.A N PHE 76.A O no hydrogen 3.069 N/A ILE 81.A N VAL 77.A O no hydrogen 2.960 N/A HIS 82.A N ASN 78.A O no hydrogen 3.344 N/A HIS 82.A ND1 ASN 78.A O no hydrogen 2.710 N/A LYS 83.A N ALA 79.A O no hydrogen 2.756 N/A GLY 84.A N ILE 80.A O no hydrogen 2.683 N/A GLU 87.A N GLU 87.A OE2 no hydrogen 2.835 N/A ARG 88.A N ASP 86.A OD1 no hydrogen 3.008 N/A ARG 88.A NE ASP 86.A OD1 no hydrogen 2.958 N/A ARG 88.A NE ASP 86.A OD2 no hydrogen 3.373 N/A ARG 88.A NH2 ASP 86.A OD2 no hydrogen 3.152 N/A HIS 89.A N ASP 86.A O no hydrogen 3.062 N/A ALA 90.A N GLU 87.A O no hydrogen 3.010 N/A PHE 96.A N TYR 101.A OH no hydrogen 2.884 N/A GLY 97.A N GLY 94.A O no hydrogen 2.956 N/A ALA 98.A N MET 156.A O no hydrogen 2.888 N/A GLY 99.A N GLY 97.A O no hydrogen 2.824 N/A ILE 100.A N ILE 182.A O no hydrogen 2.834 N/A TYR 101.A OH GLY 97.A O no hydrogen 2.766 N/A PHE 102.A N TYR 180.A O no hydrogen 2.819 N/A ALA 103.A N PHE 71.A O no hydrogen 2.991 N/A ASN 105.A ND2 THR 16.A O no hydrogen 3.006 N/A SER 106.A N THR 16.A OG1 no hydrogen 3.020 N/A SER 106.A OG MET 13.A O no hydrogen 2.637 N/A SER 106.A OG TYR 33.A OH no hydrogen 2.767 N/A SER 107.A OG ARG 18.A O no hydrogen 3.535 N/A SER 107.A OG HIS 20.A NE2 no hydrogen 2.761 N/A LYS 108.A N ASN 105.A O no hydrogen 3.004 N/A LYS 108.A NZ LEU 177.A O no hydrogen 3.052 N/A LYS 108.A NZ ALA 178.A O no hydrogen 3.157 N/A LYS 108.A NZ GLU 179.A OE1 no hydrogen 2.783 N/A SER 109.A N ASN 105.A O no hydrogen 3.480 N/A ASN 110.A N SER 106.A O no hydrogen 2.897 N/A ASN 110.A ND2 GLY 27.A O no hydrogen 2.951 N/A GLN 111.A N LYS 108.A O no hydrogen 3.136 N/A GLN 111.A NE2 LYS 108.A O no hydrogen 3.591 N/A TYR 112.A N SER 109.A O no hydrogen 3.039 N/A VAL 113.A N ASN 110.A O no hydrogen 3.388 N/A GLY 115.A N TYR 112.A O no hydrogen 3.134 N/A GLY 118.A N GLY 115.A O no hydrogen 2.968 N/A GLY 119.A N ILE 116.A O no hydrogen 3.105 N/A GLY 121.A N GLY 118.A O no hydrogen 2.955 N/A CYS 122.A N ASP 127.A O no hydrogen 3.183 N/A CYS 122.A SG HIS 125.A ND1 no hydrogen 3.512 N/A CYS 122.A SG ASP 127.A O no hydrogen 3.805 N/A LYS 126.A N CYS 122.A O no hydrogen 2.914 N/A ARG 128.A NE HIS 25.A O no hydrogen 2.861 N/A ARG 128.A NH1 GLY 119.A O no hydrogen 2.970 N/A SER 129.A N ASP 127.A OD1 no hydrogen 2.868 N/A SER 129.A OG SER 129.A O no hydrogen 2.726 N/A SER 129.A OG TYR 131.A OH no hydrogen 3.247 N/A CYS 130.A N ASP 127.A O no hydrogen 3.297 N/A CYS 130.A SG HIS 125.A ND1 no hydrogen 3.409 N/A TYR 131.A OH ILE 29.A O no hydrogen 2.610 N/A CYS 133.A SG HIS 125.A ND1 no hydrogen 3.431 N/A ARG 135.A N TYR 196.A O no hydrogen 2.701 N/A ARG 135.A NH1 GLY 27.A O no hydrogen 3.022 N/A ARG 135.A NH1 ASN 110.A OD1 no hydrogen 3.095 N/A ARG 135.A NH2 ARG 128.A O no hydrogen 2.841 N/A ARG 135.A NH2 CYS 130.A O no hydrogen 3.193 N/A GLN 136.A NE2 THR 195.A OG1 no hydrogen 3.096 N/A LEU 137.A N ILE 194.A O no hydrogen 2.958 N/A LEU 138.A N HIS 72.A O no hydrogen 2.959 N/A PHE 139.A N TYR 192.A O no hydrogen 2.876 N/A CYS 140.A N LEU 70.A O no hydrogen 2.683 N/A ARG 141.A N TYR 189.A O no hydrogen 2.926 N/A ARG 141.A NE GLU 191.A OE1 no hydrogen 2.915 N/A ARG 141.A NH1 GLU 67.A OE2 no hydrogen 3.133 N/A ARG 141.A NH2 GLU 191.A OE1 no hydrogen 3.239 N/A ARG 141.A NH2 GLU 191.A OE2 no hydrogen 3.025 N/A VAL 142.A N ARG 68.A O no hydrogen 2.815 N/A THR 143.A N GLN 187.A O no hydrogen 2.847 N/A THR 143.A OG1 TYR 50.A OH no hydrogen 2.776 N/A LEU 144.A N ASN 66.A O no hydrogen 2.964 N/A GLY 145.A N ALA 65.A O no hydrogen 2.873 N/A LYS 146.A N HIS 164.A ND1 no hydrogen 2.887 N/A LYS 146.A NZ ASN 61.A OD1 no hydrogen 3.501 N/A SER 147.A OG SER 165.A OG no hydrogen 2.660 N/A SER 147.A OG THR 167.A OG1 no hydrogen 2.694 N/A PHE 148.A N SER 165.A O no hydrogen 2.838 N/A GLN 150.A N THR 167.A O no hydrogen 2.912 N/A GLN 150.A NE2 SER 152.A O no hydrogen 3.065 N/A MET 154.A N MET 95.A O no hydrogen 3.005 N/A HIS 163.A N PRO 160.A O no hydrogen 2.969 N/A HIS 163.A ND1 PRO 161.A O no hydrogen 2.819 N/A HIS 164.A N LYS 146.A O no hydrogen 2.828 N/A HIS 164.A NE2 GLU 60.A OE1 no hydrogen 2.907 N/A SER 165.A OG LEU 144.A O no hydrogen 2.648 N/A SER 165.A OG SER 147.A OG no hydrogen 2.660 N/A VAL 166.A N VAL 181.A O no hydrogen 2.918 N/A THR 167.A N PHE 148.A O no hydrogen 2.868 N/A THR 167.A OG1 SER 147.A OG no hydrogen 2.694 N/A GLY 168.A N GLU 179.A O no hydrogen 2.734 N/A ARG 169.A N GLN 150.A O no hydrogen 2.967 N/A SER 171.A N LEU 175.A O no hydrogen 3.033 N/A GLY 174.A N SER 171.A O no hydrogen 2.993 N/A GLU 179.A N GLY 168.A O no hydrogen 3.037 N/A TYR 180.A N PHE 102.A O no hydrogen 2.954 N/A VAL 181.A N VAL 166.A O no hydrogen 2.749 N/A ILE 182.A N ILE 100.A O no hydrogen 3.007 N/A TYR 183.A OH PHE 96.A O no hydrogen 2.672 N/A GLY 185.A N GLU 87.A OE2 no hydrogen 2.865 N/A GLU 186.A N GLU 186.A OE1 no hydrogen 2.809 N/A GLN 187.A N ARG 184.A O no hydrogen 3.127 N/A GLN 187.A NE2 THR 143.A O no hydrogen 3.062 N/A GLN 187.A NE2 HIS 164.A O no hydrogen 2.837 N/A ALA 188.A N GLY 185.A O no hydrogen 3.393 N/A TYR 189.A N ARG 141.A O no hydrogen 2.831 N/A TYR 189.A OH VAL 41.A O no hydrogen 2.648 N/A TYR 192.A N PHE 139.A O no hydrogen 2.958 N/A TYR 192.A OH GLU 5.A OE1 no hydrogen 2.376 N/A LEU 193.A N GLN 39.A O no hydrogen 2.873 N/A ILE 194.A N LEU 137.A O no hydrogen 2.900 N/A THR 195.A N LYS 37.A O no hydrogen 2.866 N/A TYR 196.A N ARG 135.A O no hydrogen 2.860 N/A TYR 196.A OH ASN 110.A OD1 no hydrogen 2.678 N/A GLN 197.A N ASN 34.A O no hydrogen 2.917 N/A GLN 197.A NE2 ILE 132.A O no hydrogen 3.139 N/A MET 199.A N ARG 32.A O no hydrogen 3.052 N/A