Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2vul_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N LEU 32.A O no hydrogen 3.044 N/A CYS 4.A SG GLN 2.A OE1 no hydrogen 3.781 N/A LEU 5.A N PHE 30.A O no hydrogen 2.779 N/A GLN 9.A N PHE 20.A O no hydrogen 2.925 N/A GLN 9.A NE2 SER 7.A O no hydrogen 2.731 N/A GLY 11.A N TYR 18.A O no hydrogen 3.101 N/A HIS 13.A N PHE 16.A O no hydrogen 2.749 N/A ASN 14.A ND2 LEU 33.A O no hydrogen 3.035 N/A PHE 16.A N HIS 13.A O no hydrogen 2.936 N/A PHE 17.A N GLY 53.A O no hydrogen 3.084 N/A TYR 18.A N GLY 11.A O no hydrogen 2.944 N/A SER 19.A N GLY 51.A O no hydrogen 3.142 N/A PHE 20.A N GLN 9.A O no hydrogen 2.941 N/A TRP 21.A N VAL 49.A O no hydrogen 2.836 N/A LYS 22.A NZ ASP 23.A O no hydrogen 2.725 N/A LYS 22.A NZ PRO 25.A O no hydrogen 3.202 N/A LYS 22.A NZ GLY 26.A O no hydrogen 3.116 N/A ASP 23.A N ASN 47.A O no hydrogen 3.179 N/A THR 27.A N SER 43.A O no hydrogen 2.981 N/A ASN 29.A N ASN 41.A O no hydrogen 2.893 N/A PHE 30.A N LEU 5.A O no hydrogen 2.963 N/A CYS 31.A N THR 39.A O no hydrogen 2.835 N/A CYS 31.A SG GLN 2.A OE1 no hydrogen 4.022 N/A LEU 32.A N THR 3.A O no hydrogen 2.786 N/A LEU 33.A N ARG 37.A O no hydrogen 2.910 N/A ARG 37.A N GLU 34.A O no hydrogen 3.105 N/A ARG 37.A NE ASP 189.A OD1 no hydrogen 2.892 N/A ARG 37.A NH1 GLU 34.A OE1 no hydrogen 2.833 N/A ARG 37.A NH2 ASP 189.A OD1 no hydrogen 3.490 N/A ARG 37.A NH2 ASP 189.A OD2 no hydrogen 2.747 N/A TYR 38.A N ILE 190.A O no hydrogen 2.800 N/A TYR 38.A OH MET 177.A O no hydrogen 2.667 N/A TYR 38.A OH THR 179.A OG1 no hydrogen 2.878 N/A THR 39.A N CYS 31.A O no hydrogen 2.818 N/A SER 40.A N SER 188.A O no hydrogen 2.846 N/A SER 40.A OG SER 188.A OG no hydrogen 2.884 N/A ASN 41.A N ASN 29.A O no hydrogen 3.062 N/A TRP 42.A N GLY 186.A O no hydrogen 2.827 N/A TRP 42.A NE1 SER 184.A OG no hydrogen 2.978 N/A SER 43.A N THR 27.A O no hydrogen 2.998 N/A ASN 46.A ND2 ASP 23.A OD2 no hydrogen 2.941 N/A ASN 47.A N ASP 23.A OD1 no hydrogen 3.050 N/A TRP 48.A N GLY 181.A O no hydrogen 3.047 N/A VAL 49.A N TRP 21.A O no hydrogen 2.892 N/A GLY 50.A N THR 179.A O no hydrogen 3.000 N/A GLY 51.A N SER 19.A O no hydrogen 2.992 N/A LYS 52.A NZ HIS 13.A ND1 no hydrogen 2.905 N/A LYS 52.A NZ LEU 33.A O no hydrogen 2.931 N/A LYS 52.A NZ GLY 35.A O no hydrogen 2.665 N/A LYS 52.A NZ ARG 37.A O no hydrogen 2.998 N/A GLY 53.A N PHE 17.A O no hydrogen 2.815 N/A TRP 54.A N GLN 175.A O no hydrogen 2.702 N/A GLY 57.A N ASN 173.A O no hydrogen 2.749 N/A SER 58.A N GLN 175.A OE1 no hydrogen 3.217 N/A ARG 59.A NH1 ASP 160.A OD1 no hydrogen 2.871 N/A ARG 59.A NH2 ASP 160.A OD1 no hydrogen 3.407 N/A ARG 59.A NH2 ASP 160.A OD2 no hydrogen 2.950 N/A ARG 60.A N SER 58.A OG no hydrogen 3.204 N/A ARG 60.A NH1 THR 56.A O no hydrogen 3.089 N/A ARG 60.A NH1 GLN 175.A OE1 no hydrogen 2.953 N/A ILE 62.A N ILE 153.A O no hydrogen 2.950 N/A THR 63.A N SER 193.A OG no hydrogen 3.110 N/A THR 63.A OG1 THR 152.A OG1 no hydrogen 2.881 N/A TYR 64.A N GLY 151.A O no hydrogen 2.944 N/A TYR 64.A OH ASP 93.A OD2 no hydrogen 2.500 N/A SER 65.A N THR 191.A O no hydrogen 3.079 N/A SER 67.A N ASP 189.A O no hydrogen 2.817 N/A ASN 69.A N SER 187.A O no hydrogen 2.899 N/A THR 70.A OG1 SER 185.A O no hydrogen 2.709 N/A GLY 72.A N THR 70.A OG1 no hydrogen 2.966 N/A TYR 75.A N GLU 180.A O no hydrogen 2.812 N/A LEU 76.A N SER 94.A O no hydrogen 2.902 N/A ALA 77.A N ALA 178.A O no hydrogen 2.923 N/A LEU 78.A N VAL 91.A O no hydrogen 2.870 N/A TYR 79.A N ILE 176.A O no hydrogen 2.855 N/A TYR 79.A OH GLU 88.A OE2 no hydrogen 2.665 N/A GLY 80.A N TYR 89.A O no hydrogen 3.088 N/A TRP 81.A N TYR 174.A O no hydrogen 3.139 N/A TRP 81.A NE1 TYR 79.A OH no hydrogen 2.965 N/A THR 82.A N VAL 87.A O no hydrogen 2.991 N/A THR 82.A OG1 PRO 85.A O no hydrogen 2.899 N/A THR 83.A N THR 171.A O no hydrogen 2.938 N/A VAL 87.A N THR 82.A O no hydrogen 3.037 N/A GLU 88.A N TYR 138.A O no hydrogen 3.284 N/A TYR 89.A N GLY 80.A O no hydrogen 2.820 N/A TYR 90.A N TYR 140.A O no hydrogen 2.899 N/A TYR 90.A OH GLU 180.A OE1 no hydrogen 2.667 N/A VAL 91.A N LEU 78.A O no hydrogen 2.721 N/A VAL 92.A N SER 142.A O no hydrogen 2.753 N/A ASP 93.A N LEU 76.A O no hydrogen 2.941 N/A SER 94.A N LEU 76.A O no hydrogen 3.290 N/A GLY 96.A N GLY 74.A O no hydrogen 2.853 N/A SER 97.A N GLY 72.A O no hydrogen 2.890 N/A ARG 99.A NH1 ASP 119.A OD2 no hydrogen 3.088 N/A ARG 99.A NH2 ASP 119.A OD2 no hydrogen 2.739 N/A ARG 99.A NH2 ARG 144.A O.A no hydrogen 3.271 N/A ARG 99.A NH2 ARG 144.A O.B no hydrogen 3.044 N/A GLY 105.A N GLY 102.A O no hydrogen 3.062 N/A THR 106.A N ARG 122.A O no hydrogen 2.718 N/A LEU 108.A N ILE 120.A O no hydrogen 2.819 N/A VAL 111.A N TYR 118.A O no hydrogen 3.043 N/A SER 113.A N GLY 116.A O no hydrogen 2.983 N/A SER 113.A OG ASP 114.A OD2 no hydrogen 2.792 N/A GLY 116.A N SER 113.A O no hydrogen 2.868 N/A THR 117.A OG1 ASN 112.A OD1 no hydrogen 3.110 N/A TYR 118.A N VAL 111.A O no hydrogen 2.820 N/A TYR 118.A OH ASP 93.A OD1 no hydrogen 2.667 N/A ASP 119.A N VAL 143.A O no hydrogen 2.851 N/A ILE 120.A N GLY 109.A O no hydrogen 2.779 N/A TYR 121.A N TRP 141.A O no hydrogen 2.876 N/A ARG 122.A N THR 106.A O no hydrogen 2.987 N/A ALA 123.A N GLN 139.A O no hydrogen 3.119 N/A ARG 125.A N PHE 137.A O no hydrogen 2.913 N/A ASN 127.A N THR 136.A OG1 no hydrogen 3.034 N/A ALA 128.A N ALA 135.A O no hydrogen 2.837 N/A SER 130.A OG GLY 133.A O no hydrogen 2.574 N/A ILE 132.A N SER 130.A OG no hydrogen 3.078 N/A GLY 133.A N SER 130.A O no hydrogen 3.107 N/A ASN 134.A ND2 ASN 127.A O no hydrogen 3.189 N/A ASN 134.A ND2 ASN 127.A OD1 no hydrogen 3.572 N/A ALA 135.A N ALA 128.A O no hydrogen 2.850 N/A PHE 137.A N ARG 125.A O no hydrogen 3.078 N/A GLN 139.A N ALA 123.A O no hydrogen 2.740 N/A GLN 139.A NE2 GLU 88.A OE1 no hydrogen 2.838 N/A TYR 140.A N GLU 88.A O no hydrogen 3.061 N/A TYR 140.A OH ASN 168.A O no hydrogen 2.658 N/A TRP 141.A N TYR 121.A O no hydrogen 2.894 N/A TRP 141.A NE1 GLN 139.A OE1 no hydrogen 2.848 N/A SER 142.A N TYR 90.A O no hydrogen 2.903 N/A SER 142.A OG HIS 158.A ND1 no hydrogen 2.872 N/A VAL 143.A N ASP 119.A O no hydrogen 2.834 N/A ARG 144.A N.A VAL 92.A O no hydrogen 2.928 N/A ARG 144.A N.B VAL 92.A O no hydrogen 2.916 N/A ARG 144.A NH1.A ASP 114.A O no hydrogen 3.154 N/A ARG 144.A NH1.A TYR 118.A OH no hydrogen 2.753 N/A ARG 144.A NH1.B SER 146.A O no hydrogen 3.447 N/A ARG 144.A NH2.A ASP 114.A O no hydrogen 3.000 N/A ARG 144.A NH2.B ASP 114.A O no hydrogen 3.391 N/A GLN 145.A N THR 117.A O no hydrogen 2.810 N/A GLN 145.A NE2 ASP 119.A OD1 no hydrogen 2.928 N/A LYS 147.A NZ TRP 95.A O no hydrogen 2.882 N/A LYS 147.A NZ GLY 96.A O no hydrogen 3.124 N/A ARG 148.A N ASP 93.A O no hydrogen 2.762 N/A ARG 148.A NE ASP 93.A OD2 no hydrogen 3.041 N/A ARG 148.A NH2 ASP 93.A OD2 no hydrogen 3.304 N/A ARG 148.A NH2 THR 152.A O no hydrogen 2.854 N/A GLY 150.A N TYR 64.A OH no hydrogen 3.035 N/A GLY 151.A N TYR 64.A O no hydrogen 2.930 N/A THR 152.A OG1 THR 63.A OG1 no hydrogen 2.881 N/A ILE 153.A N ILE 62.A O no hydrogen 2.629 N/A THR 154.A N ASP 114.A OD2 no hydrogen 2.809 N/A THR 154.A OG1 ASP 114.A OD1 no hydrogen 2.684 N/A THR 155.A OG1 ARG 60.A O no hydrogen 2.742 N/A ASN 157.A N THR 154.A O no hydrogen 2.908 N/A ASN 157.A ND2 SER 113.A OG no hydrogen 2.973 N/A HIS 158.A ND1 SER 142.A OG no hydrogen 2.872 N/A PHE 159.A N THR 155.A O no hydrogen 2.954 N/A ASP 160.A N GLY 156.A O no hydrogen 2.958 N/A ALA 161.A N ASN 157.A O no hydrogen 2.990 N/A TRP 162.A N HIS 158.A O no hydrogen 2.796 N/A TRP 162.A NE1 SER 142.A OG no hydrogen 2.944 N/A ALA 163.A N PHE 159.A O no hydrogen 2.874 N/A SER 164.A N ASP 160.A O no hydrogen 3.092 N/A SER 164.A OG ALA 161.A O no hydrogen 2.695 N/A VAL 165.A N TRP 162.A O no hydrogen 3.078 N/A GLY 166.A N ALA 163.A O no hydrogen 3.176 N/A LEU 167.A N TRP 162.A O no hydrogen 2.846 N/A GLY 170.A N THR 82.A OG1 no hydrogen 3.129 N/A THR 171.A N THR 83.A O no hydrogen 2.819 N/A ASN 173.A N TRP 81.A O no hydrogen 2.802 N/A TYR 174.A N ASN 173.A OD1 no hydrogen 2.921 N/A GLN 175.A N TRP 54.A O no hydrogen 2.979 N/A GLN 175.A NE2 SER 58.A O no hydrogen 2.985 N/A GLN 175.A NE2 TYR 89.A OH no hydrogen 2.951 N/A ILE 176.A N TYR 79.A O no hydrogen 2.863 N/A MET 177.A N LYS 52.A O no hydrogen 2.890 N/A ALA 178.A N ALA 77.A O no hydrogen 2.705 N/A THR 179.A N GLY 50.A O no hydrogen 2.871 N/A THR 179.A OG1 TYR 38.A OH no hydrogen 2.878 N/A THR 179.A OG1 SER 188.A OG no hydrogen 2.716 N/A GLU 180.A N TYR 75.A O no hydrogen 2.918 N/A GLY 181.A N TRP 48.A O no hydrogen 2.979 N/A TYR 182.A N ASN 73.A O no hydrogen 2.977 N/A GLN 183.A N ASN 46.A O no hydrogen 2.687 N/A GLN 183.A NE2 ASN 46.A OD1 no hydrogen 2.729 N/A SER 184.A OG ASN 73.A O no hydrogen 2.759 N/A GLY 186.A N TRP 42.A O no hydrogen 2.894 N/A SER 187.A N ASN 69.A O no hydrogen 2.926 N/A SER 188.A N SER 40.A O no hydrogen 3.021 N/A SER 188.A OG SER 40.A OG no hydrogen 2.884 N/A SER 188.A OG THR 179.A OG1 no hydrogen 2.716 N/A ASP 189.A N SER 67.A O no hydrogen 2.941 N/A ILE 190.A N TYR 38.A O no hydrogen 2.876 N/A THR 191.A N SER 65.A O no hydrogen 2.945 N/A VAL 192.A N GLY 36.A O no hydrogen 2.732 N/A SER 193.A OG THR 63.A O no hydrogen 3.488 N/A