Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pxe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A N THR 39.A OG1 no hydrogen 2.951 N/A MET 6.A N THR 29.A O no hydrogen 2.833 N/A VAL 7.A N HIS 40.A O no hydrogen 3.203 N/A SER 9.A N VAL 42.A O no hydrogen 2.850 N/A SER 9.A OG THR 54.A OG1 no hydrogen 2.515 N/A THR 12.A N GLU 15.A OE1 no hydrogen 2.883 N/A THR 12.A OG1 GLU 14.A OE1 no hydrogen 3.468 N/A GLU 14.A N GLU 14.A OE1 no hydrogen 2.570 N/A GLU 15.A N THR 12.A OG1 no hydrogen 3.182 N/A PHE 16.A N THR 12.A O no hydrogen 2.648 N/A MET 17.A N PRO 13.A O no hydrogen 2.732 N/A LEU 18.A N GLU 14.A O no hydrogen 3.290 N/A VAL 19.A N GLU 15.A O no hydrogen 3.161 N/A TYR 20.A N PHE 16.A O no hydrogen 2.781 N/A LYS 21.A N MET 17.A O no hydrogen 2.978 N/A PHE 22.A N LEU 18.A O no hydrogen 2.788 N/A ALA 23.A N VAL 19.A O no hydrogen 2.630 N/A ARG 24.A N TYR 20.A O no hydrogen 2.813 N/A LYS 25.A N LYS 21.A O no hydrogen 2.956 N/A HIS 26.A N PHE 22.A O no hydrogen 3.101 N/A ILE 28.A N ALA 23.A O no hydrogen 2.874 N/A THR 31.A N MET 6.A O no hydrogen 2.907 N/A THR 31.A OG1 LEU 33.A O no hydrogen 2.969 N/A LEU 33.A N THR 31.A OG1 no hydrogen 2.949 N/A THR 35.A N THR 38.A OG1 no hydrogen 2.851 N/A THR 38.A N THR 35.A O no hydrogen 2.700 N/A THR 38.A OG1 THR 35.A O no hydrogen 2.928 N/A THR 39.A N SER 5.A O no hydrogen 2.871 N/A THR 39.A OG1 SER 5.A O no hydrogen 3.224 N/A THR 39.A OG1 HIS 40.A ND1 no hydrogen 2.860 N/A HIS 40.A N SER 5.A O no hydrogen 3.108 N/A HIS 40.A ND1 THR 39.A OG1 no hydrogen 2.860 N/A HIS 40.A NE2 GLU 85.A OE2 no hydrogen 2.818 N/A VAL 41.A N TRP 66.A O no hydrogen 2.922 N/A VAL 42.A N VAL 7.A O no hydrogen 2.769 N/A MET 43.A N VAL 68.A O no hydrogen 2.729 N/A LYS 44.A N SER 9.A O no hydrogen 2.893 N/A LYS 44.A NZ GLU 15.A OE2 no hydrogen 2.961 N/A THR 45.A OG1 ASP 46.A O no hydrogen 2.994 N/A THR 45.A OG1 SER 69.A OG no hydrogen 2.634 N/A ASP 46.A N VAL 50.A O no hydrogen 2.873 N/A GLU 48.A N ASP 46.A OD1 no hydrogen 2.871 N/A PHE 49.A N ASP 46.A O no hydrogen 2.735 N/A VAL 50.A N ASP 46.A OD1 no hydrogen 3.174 N/A CYS 51.A N GLY 92.A O no hydrogen 3.096 N/A CYS 51.A SG GLU 52.A O no hydrogen 3.496 N/A CYS 51.A SG GLY 92.A O no hydrogen 3.904 N/A ARG 53.A NH1 ASP 192.A OD1 no hydrogen 3.162 N/A THR 54.A OG1 SER 9.A OG no hydrogen 2.515 N/A LYS 56.A NZ VAL 8.A O no hydrogen 2.792 N/A TYR 57.A N THR 54.A O no hydrogen 2.790 N/A TYR 57.A N THR 54.A OG1 no hydrogen 3.377 N/A TYR 57.A OH ASP 93.A OD2 no hydrogen 2.421 N/A PHE 58.A N THR 54.A O no hydrogen 3.051 N/A LEU 59.A N LEU 55.A O no hydrogen 2.877 N/A GLY 60.A N LYS 56.A O no hydrogen 2.830 N/A ILE 61.A N TYR 57.A O no hydrogen 3.063 N/A ALA 62.A N PHE 58.A O no hydrogen 2.825 N/A GLY 63.A N LEU 59.A O no hydrogen 3.108 N/A GLY 64.A N ILE 61.A O no hydrogen 2.510 N/A LYS 65.A N GLY 60.A O no hydrogen 2.917 N/A LYS 65.A NZ THR 35.A O no hydrogen 3.126 N/A LYS 65.A NZ THR 38.A O no hydrogen 2.659 N/A TRP 66.A N THR 39.A O no hydrogen 3.027 N/A VAL 68.A N VAL 41.A O no hydrogen 2.925 N/A SER 69.A N PHE 88.A O no hydrogen 2.873 N/A SER 69.A OG THR 45.A OG1 no hydrogen 2.634 N/A TYR 70.A N MET 43.A O no hydrogen 2.590 N/A PHE 71.A N SER 69.A OG no hydrogen 3.057 N/A TRP 72.A N SER 69.A O no hydrogen 2.965 N/A TRP 72.A NE1 LEU 83.A O no hydrogen 2.675 N/A THR 74.A N TYR 70.A O no hydrogen 3.294 N/A THR 74.A OG1 PHE 71.A O no hydrogen 3.175 N/A GLN 75.A N PHE 71.A O no hydrogen 2.985 N/A SER 76.A N TRP 72.A O no hydrogen 2.808 N/A SER 76.A OG TRP 72.A O no hydrogen 3.134 N/A ILE 77.A N VAL 73.A O no hydrogen 3.051 N/A LYS 78.A N THR 74.A O no hydrogen 2.871 N/A GLU 79.A N SER 76.A O no hydrogen 2.987 N/A ARG 80.A N ILE 77.A O no hydrogen 3.068 N/A LEU 83.A N SER 76.A OG no hydrogen 2.825 N/A HIS 86.A N ASN 84.A OD1 no hydrogen 2.689 N/A ASP 87.A N ASN 84.A O no hydrogen 3.051 N/A PHE 88.A N GLU 85.A O no hydrogen 2.845 N/A GLU 89.A N HIS 86.A O no hydrogen 3.292 N/A VAL 90.A N VAL 67.A O no hydrogen 2.686 N/A ARG 91.A N PHE 49.A O no hydrogen 2.993 N/A ASP 93.A N GLY 97.A O no hydrogen 2.855 N/A VAL 94.A N CYS 51.A O no hydrogen 3.024 N/A VAL 95.A N ASP 93.A OD1 no hydrogen 3.025 N/A ASN 96.A N ASP 93.A OD1 no hydrogen 2.712 N/A ASN 96.A ND2 ASP 93.A OD1 no hydrogen 3.275 N/A ARG 98.A NH1 ASP 46.A OD2 no hydrogen 2.880 N/A ARG 98.A NH1 GLU 48.A OE1 no hydrogen 2.710 N/A ARG 98.A NH2 ASP 46.A OD2 no hydrogen 3.338 N/A GLN 101.A N ARG 91.A O no hydrogen 2.674 N/A ARG 105.A N GLN 101.A O no hydrogen 2.963 N/A ALA 106.A N GLY 102.A O no hydrogen 3.038 N/A ARG 107.A N PRO 103.A O no hydrogen 3.035 N/A ARG 107.A NE GLU 89.A OE2 no hydrogen 3.043 N/A ARG 107.A NH2 GLU 89.A OE2 no hydrogen 2.659 N/A GLU 108.A N LYS 104.A O no hydrogen 3.095 N/A GLU 108.A N ARG 105.A O no hydrogen 3.069 N/A SER 109.A N ARG 105.A O no hydrogen 2.789 N/A SER 109.A N ALA 106.A O no hydrogen 3.325 N/A SER 109.A OG ARG 105.A O no hydrogen 3.022 N/A GLN 110.A NE2 ALA 106.A O no hydrogen 3.044 N/A ARG 112.A N SER 109.A O no hydrogen 3.135 N/A LYS 113.A NZ LEU 140.A O no hydrogen 3.066 N/A PHE 115.A N CYS 141.A O no hydrogen 2.845 N/A ARG 116.A N LYS 113.A O no hydrogen 3.499 N/A LEU 118.A N PHE 115.A O no hydrogen 3.205 N/A GLU 119.A N HIS 157.A O no hydrogen 2.816 N/A ILE 120.A N SER 144.A O no hydrogen 2.797 N/A CYS 121.A N ILE 159.A O no hydrogen 3.030 N/A CYS 121.A SG VAL 146.A O no hydrogen 3.145 N/A CYS 121.A SG LYS 147.A O no hydrogen 3.513 N/A TYR 123.A N CYS 121.A O no hydrogen 2.929 N/A THR 127.A N GLN 163.A OE1 no hydrogen 2.865 N/A GLN 133.A N PRO 130.A O no hydrogen 2.642 N/A LEU 134.A N PRO 130.A O no hydrogen 3.166 N/A GLU 135.A N THR 131.A O no hydrogen 2.918 N/A TRP 136.A N ASP 132.A O no hydrogen 2.963 N/A MET 137.A N GLN 133.A O no hydrogen 3.014 N/A VAL 138.A N LEU 134.A O no hydrogen 3.252 N/A GLN 139.A N GLU 135.A O no hydrogen 3.168 N/A LEU 140.A N TRP 136.A O no hydrogen 3.044 N/A CYS 141.A N MET 137.A O no hydrogen 3.155 N/A CYS 141.A SG MET 137.A O no hydrogen 3.533 N/A GLY 142.A N GLN 139.A O no hydrogen 2.660 N/A ALA 143.A N VAL 138.A O no hydrogen 3.016 N/A SER 144.A N LEU 118.A O no hydrogen 2.812 N/A VAL 146.A N ILE 120.A O no hydrogen 2.956 N/A SER 151.A N GLU 148.A O no hydrogen 2.950 N/A THR 153.A N GLU 119.A OE1 no hydrogen 3.123 N/A THR 153.A OG1 GLU 119.A OE2 no hydrogen 2.995 N/A HIS 157.A N GLY 117.A O no hydrogen 3.321 N/A ILE 159.A N GLU 119.A O no hydrogen 2.727 N/A VAL 160.A N PRO 183.A O no hydrogen 3.052 N/A VAL 161.A N CYS 121.A O no hydrogen 3.025 N/A VAL 162.A N VAL 185.A O no hydrogen 2.907 N/A GLN 163.A NE2 THR 127.A OG1 no hydrogen 2.905 N/A ALA 166.A N GLN 163.A O no hydrogen 2.960 N/A TRP 167.A N PRO 164.A O no hydrogen 3.382 N/A ASN 171.A ND2 HIS 174.A ND1 no hydrogen 2.696 N/A HIS 174.A N ASN 171.A O no hydrogen 2.886 N/A ALA 175.A N GLY 172.A O no hydrogen 2.977 N/A GLY 177.A N GLN 209.A OE1 no hydrogen 3.033 N/A GLN 178.A N ALA 175.A O no hydrogen 2.971 N/A GLN 178.A NE2 ILE 210.A O no hydrogen 2.965 N/A GLN 178.A NE2 PRO 211.A O no hydrogen 3.386 N/A MET 179.A N ILE 176.A O no hydrogen 3.026 N/A ALA 182.A N CYS 180.A O no hydrogen 2.907 N/A VAL 185.A N VAL 160.A O no hydrogen 3.017 N/A THR 186.A N TYR 205.A O no hydrogen 3.183 N/A ARG 187.A N VAL 162.A O no hydrogen 2.954 N/A ARG 187.A NH1 THR 127.A O no hydrogen 3.021 N/A ARG 187.A NH2 THR 127.A O no hydrogen 3.496 N/A TRP 189.A N THR 186.A O no hydrogen 2.845 N/A TRP 189.A NE1 GLN 200.A O no hydrogen 2.924 N/A LEU 191.A N ARG 187.A O no hydrogen 2.987 N/A ASP 192.A N LYS 188.A O no hydrogen 2.838 N/A SER 193.A N TRP 189.A O no hydrogen 3.083 N/A SER 193.A OG TRP 189.A O no hydrogen 3.200 N/A SER 193.A OG GLN 198.A O no hydrogen 3.421 N/A VAL 194.A N VAL 190.A O no hydrogen 2.903 N/A ALA 195.A N LEU 191.A O no hydrogen 2.919 N/A LEU 196.A N ASP 192.A O no hydrogen 3.232 N/A TYR 197.A N VAL 194.A O no hydrogen 3.057 N/A GLN 198.A N SER 193.A O no hydrogen 3.085 N/A GLN 200.A N SER 193.A OG no hydrogen 2.871 N/A GLN 200.A NE2 GLN 198.A O no hydrogen 2.882 N/A TYR 205.A N LEU 202.A O no hydrogen 2.816 N/A TYR 205.A OH ASP 192.A OD2 no hydrogen 2.800 N/A ILE 207.A N VAL 184.A O no hydrogen 2.823 N/A GLN 209.A NE2 PHE 173.A O no hydrogen 3.068 N/A GLN 209.A NE2 ILE 207.A O no hydrogen 3.212 N/A ILE 210.A N HIS 174.A O no hydrogen 2.776 N/A