Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2xbu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A N TRP 171.A O no hydrogen 2.863 N/A TYR 4.A N GLN 191.A OE1 no hydrogen 2.733 N/A ILE 5.A N ALA 173.A O no hydrogen 3.024 N/A SER 6.A N ASN 193.A O no hydrogen 3.384 N/A SER 6.A OG ASN 193.A O no hydrogen 3.512 N/A SER 6.A OG ASP 194.A OD1 no hydrogen 2.642 N/A ASN 9.A N SER 6.A OG no hydrogen 2.951 N/A ASN 9.A ND2 ASP 194.A O no hydrogen 2.761 N/A VAL 10.A N SER 6.A O no hydrogen 3.126 N/A HIS 11.A N TYR 7.A O no hydrogen 2.923 N/A GLN 12.A N ASN 8.A O no hydrogen 3.081 N/A GLN 12.A NE2 ILE 197.A O no hydrogen 3.072 N/A LEU 13.A N ASN 9.A O no hydrogen 2.898 N/A CYS 14.A N VAL 10.A O no hydrogen 3.040 N/A CYS 14.A SG VAL 10.A O no hydrogen 3.410 N/A CYS 14.A SG PRO 39.A O no hydrogen 3.681 N/A GLN 15.A N HIS 11.A O no hydrogen 2.977 N/A VAL 16.A N GLN 12.A O no hydrogen 3.046 N/A SER 17.A N LEU 13.A O no hydrogen 3.016 N/A SER 17.A OG LEU 13.A O no hydrogen 2.829 N/A ALA 18.A N CYS 14.A O no hydrogen 2.885 N/A GLU 19.A N VAL 16.A O no hydrogen 3.188 N/A ARG 20.A NH2 ALA 163.A O no hydrogen 2.926 N/A ILE 21.A N SER 17.A O no hydrogen 2.852 N/A LYS 22.A N ALA 18.A O no hydrogen 2.931 N/A LYS 22.A NZ GLU 19.A OE2 no hydrogen 3.101 N/A ASN 23.A N ARG 20.A O no hydrogen 2.929 N/A ASN 23.A ND2 ARG 20.A O no hydrogen 3.120 N/A PHE 24.A N ILE 21.A O no hydrogen 2.896 N/A LYS 25.A N ILE 21.A O no hydrogen 3.296 N/A LYS 25.A N LYS 22.A O no hydrogen 3.221 N/A ASP 27.A N ASN 88.A O no hydrogen 2.822 N/A ILE 29.A N ARG 56.A O no hydrogen 2.930 N/A ILE 30.A N LEU 90.A O no hydrogen 2.834 N/A ALA 31.A N PHE 58.A O no hydrogen 2.726 N/A ILE 32.A N VAL 92.A O no hydrogen 2.918 N/A GLY 33.A N ILE 60.A O no hydrogen 2.917 N/A GLY 36.A N GLY 33.A O no hydrogen 3.179 N/A PHE 37.A N GLY 33.A O no hydrogen 3.168 N/A PHE 37.A N GLY 34.A O no hydrogen 3.256 N/A ALA 40.A N GLY 36.A O no hydrogen 3.137 N/A ARG 41.A N PHE 37.A O no hydrogen 2.857 N/A ARG 41.A NH2 ARG 41.A O no hydrogen 2.801 N/A ARG 41.A NH2 THR 45.A OG1 no hydrogen 2.862 N/A ILE 42.A N ILE 38.A O no hydrogen 2.982 N/A LEU 43.A N PRO 39.A O no hydrogen 2.783 N/A ARG 44.A N ALA 40.A O no hydrogen 3.019 N/A ARG 44.A NH1 ILE 55.A O no hydrogen 2.884 N/A THR 45.A N ARG 41.A O no hydrogen 3.411 N/A THR 45.A N ILE 42.A O no hydrogen 2.993 N/A PHE 46.A N LEU 43.A O no hydrogen 2.889 N/A LEU 47.A N LEU 43.A O no hydrogen 2.921 N/A LEU 47.A N ARG 44.A O no hydrogen 3.172 N/A LYS 48.A N ARG 44.A O no hydrogen 2.961 N/A LYS 48.A NZ GLU 49.A O no hydrogen 2.912 N/A LYS 48.A NZ VAL 52.A O no hydrogen 3.104 N/A VAL 52.A N GLU 49.A O no hydrogen 2.939 N/A ARG 56.A NH1 CYS 80.A O no hydrogen 3.006 N/A ARG 56.A NH2 CYS 80.A O no hydrogen 2.898 N/A ARG 56.A NH2 LYS 81.A O no hydrogen 3.385 N/A PHE 58.A N ILE 29.A O no hydrogen 2.849 N/A ILE 60.A N ALA 31.A O no hydrogen 2.961 N/A ILE 61.A N GLN 73.A O no hydrogen 2.867 N/A SER 63.A N SER 70.A O no hydrogen 2.843 N/A SER 63.A OG THR 72.A OG1 no hydrogen 2.609 N/A TYR 65.A N LYS 68.A O no hydrogen 2.936 N/A LYS 68.A N TYR 65.A O no hydrogen 3.267 N/A SER 70.A N SER 63.A O no hydrogen 2.709 N/A ARG 71.A NE GLU 108.A OE1 no hydrogen 2.812 N/A ARG 71.A NH1 ASP 112.A OD1 no hydrogen 2.940 N/A ARG 71.A NH2 GLU 108.A OE1 no hydrogen 3.031 N/A ARG 71.A NH2 ASP 112.A OD1 no hydrogen 2.895 N/A THR 72.A N SER 70.A O no hydrogen 3.015 N/A THR 72.A OG1 SER 63.A OG no hydrogen 2.609 N/A GLN 73.A N ILE 61.A O no hydrogen 3.219 N/A TRP 74.A NE1 ASP 112.A OD2 no hydrogen 2.775 N/A TYR 77.A OH ASP 112.A OD2 no hydrogen 2.686 N/A GLN 79.A N ASP 76.A OD2 no hydrogen 3.077 N/A CYS 80.A N ASP 76.A O no hydrogen 2.899 N/A CYS 80.A SG ASP 76.A O no hydrogen 3.528 N/A LYS 81.A N GLU 78.A O no hydrogen 3.161 N/A LEU 82.A N TYR 77.A O no hydrogen 2.919 N/A LEU 84.A N GLN 116.A OE1 no hydrogen 2.881 N/A VAL 85.A N ASP 83.A OD1 no hydrogen 2.901 N/A LYS 87.A N LEU 84.A O no hydrogen 3.150 N/A LYS 87.A NZ ASP 83.A O no hydrogen 2.854 N/A ASN 88.A N ASP 27.A OD2 no hydrogen 2.753 N/A VAL 89.A N ASN 133.A O no hydrogen 2.769 N/A LEU 90.A N LEU 28.A O no hydrogen 3.086 N/A ILE 91.A N GLY 135.A O no hydrogen 2.805 N/A VAL 92.A N ILE 30.A O no hydrogen 2.863 N/A ASP 93.A N PHE 137.A O no hydrogen 3.131 N/A GLU 94.A N ASP 93.A OD2 no hydrogen 2.889 N/A GLU 94.A N GLU 94.A OE2 no hydrogen 2.794 N/A ASP 96.A N HIS 140.A O no hydrogen 2.866 N/A THR 98.A OG1 THR 100.A OG1 no hydrogen 3.091 N/A ARG 99.A NE ASP 96.A OD1 no hydrogen 2.782 N/A ARG 99.A NH1 ASP 96.A OD1 no hydrogen 3.177 N/A ARG 99.A NH1 ASP 141.A OD2 no hydrogen 3.492 N/A THR 100.A OG1 THR 98.A OG1 no hydrogen 3.091 N/A HIS 103.A N ARG 99.A O no hydrogen 2.965 N/A HIS 103.A ND1 ASP 149.A O no hydrogen 2.717 N/A TYR 104.A N THR 100.A O no hydrogen 3.203 N/A ALA 105.A N THR 101.A O no hydrogen 2.927 N/A LEU 106.A N LEU 102.A O no hydrogen 2.884 N/A SER 107.A N HIS 103.A O no hydrogen 2.986 N/A GLU 108.A N TYR 104.A O no hydrogen 2.906 N/A LEU 109.A N ALA 105.A O no hydrogen 2.992 N/A GLU 110.A N LEU 106.A O no hydrogen 2.858 N/A LYS 111.A N SER 107.A O no hydrogen 3.210 N/A LYS 111.A NZ GLU 108.A OE2 no hydrogen 2.950 N/A ASP 112.A N GLU 108.A O no hydrogen 3.216 N/A ALA 113.A N LEU 109.A O no hydrogen 2.990 N/A ALA 114.A N GLU 110.A O no hydrogen 2.970 N/A GLU 115.A N LYS 111.A O no hydrogen 2.932 N/A GLN 116.A N ASP 112.A O no hydrogen 2.918 N/A ALA 117.A N ALA 113.A O no hydrogen 2.986 N/A LYS 118.A N ALA 114.A O no hydrogen 3.055 N/A ALA 119.A N GLU 115.A O no hydrogen 3.126 N/A LYS 120.A N GLN 116.A O no hydrogen 3.215 N/A LYS 120.A N ALA 117.A O no hydrogen 3.140 N/A LYS 120.A NZ ASP 83.A OD2 no hydrogen 2.670 N/A GLY 121.A N LYS 118.A O no hydrogen 2.974 N/A ILE 122.A N ALA 117.A O no hydrogen 2.868 N/A GLU 125.A N ASP 123.A OD2 no hydrogen 3.024 N/A LYS 126.A N ASP 123.A OD2 no hydrogen 3.382 N/A SER 127.A N ASP 123.A O no hydrogen 2.780 N/A GLU 129.A N GLU 129.A OE2 no hydrogen 2.690 N/A MET 130.A N SER 127.A O no hydrogen 2.797 N/A LYS 131.A N PRO 128.A O no hydrogen 2.944 N/A THR 132.A OG1 LEU 84.A O no hydrogen 2.617 N/A ASN 133.A N LYS 87.A O no hydrogen 2.904 N/A GLY 135.A N VAL 89.A O no hydrogen 2.856 N/A ILE 136.A N ARG 160.A O no hydrogen 2.748 N/A PHE 137.A N ILE 91.A O no hydrogen 2.804 N/A VAL 138.A N PHE 162.A O no hydrogen 2.985 N/A LEU 139.A N GLU 94.A O no hydrogen 3.029 N/A HIS 140.A N GLU 94.A O no hydrogen 3.209 N/A HIS 140.A ND1 TYR 174.A OH no hydrogen 2.880 N/A ASP 141.A N LYS 165.A O no hydrogen 2.955 N/A LYS 142.A N ASP 96.A O no hydrogen 3.035 N/A LYS 142.A NZ ASP 97.A OD1 no hydrogen 3.449 N/A LYS 142.A NZ LYS 170.A O no hydrogen 3.020 N/A GLN 143.A N VAL 167.A O no hydrogen 2.686 N/A LYS 144.A NZ ASP 97.A OD1 no hydrogen 2.768 N/A LYS 144.A NZ ASP 169.A OD1 no hydrogen 2.972 N/A LYS 144.A NZ ASP 169.A OD2 no hydrogen 3.491 N/A LYS 146.A NZ ASP 96.A OD2 no hydrogen 2.815 N/A LYS 146.A NZ ASP 97.A O no hydrogen 2.773 N/A LYS 146.A NZ ASP 141.A OD2 no hydrogen 3.072 N/A LYS 146.A NZ LYS 142.A O no hydrogen 2.989 N/A LYS 147.A N THR 98.A O no hydrogen 2.888 N/A GLU 153.A N GLU 153.A OE2 no hydrogen 2.703 N/A MET 154.A N PRO 151.A O no hydrogen 2.915 N/A LEU 155.A N PRO 151.A O no hydrogen 2.943 N/A ASN 156.A N ALA 152.A O no hydrogen 2.925 N/A ASP 157.A N MET 154.A O no hydrogen 3.316 N/A ASN 159.A N ASP 157.A OD2 no hydrogen 2.852 N/A ARG 160.A N ASP 157.A O no hydrogen 2.904 N/A ARG 160.A NE.A ASN 133.A OD1.B no hydrogen 2.390 N/A ARG 160.A NE.B PHE 134.A O no hydrogen 3.114 N/A ARG 160.A NH1.B PHE 134.A O no hydrogen 3.167 N/A ARG 160.A NH2.A ASN 159.A O no hydrogen 3.312 N/A TYR 161.A N ASP 157.A O no hydrogen 3.239 N/A TYR 161.A OH ASP 96.A OD1 no hydrogen 2.743 N/A PHE 162.A N ILE 136.A O no hydrogen 2.732 N/A ALA 164.A N VAL 138.A O no hydrogen 2.969 N/A LYS 165.A N LEU 139.A O no hydrogen 2.976 N/A VAL 167.A N ASP 141.A O no hydrogen 2.868 N/A LYS 170.A N PRO 168.A O no hydrogen 2.886 N/A LYS 170.A NZ ASP 1.A OD1 no hydrogen 2.776 N/A ALA 173.A N GLN 3.A O no hydrogen 2.811 N/A TYR 174.A N GLU 177.A OE1 no hydrogen 2.947 N/A TYR 174.A OH HIS 140.A ND1 no hydrogen 2.880 N/A GLU 177.A N TYR 174.A O no hydrogen 2.970 N/A SER 178.A N PRO 175.A O no hydrogen 3.145 N/A ASP 180.A N SER 178.A OG no hydrogen 3.179 N/A VAL 182.A N ASP 180.A OD2 no hydrogen 3.192 N/A PHE 183.A N ASP 180.A OD2 no hydrogen 3.193 N/A HIS 184.A N ASP 180.A O no hydrogen 2.992 N/A HIS 184.A NE2 ILE 5.A O no hydrogen 2.785 N/A THR 185.A N ILE 181.A O no hydrogen 2.943 N/A THR 185.A OG1 ILE 181.A O no hydrogen 2.711 N/A ARG 186.A N VAL 182.A O no hydrogen 2.995 N/A ARG 186.A NH2 GLU 190.A OE1 no hydrogen 3.136 N/A MET 187.A N PHE 183.A O no hydrogen 2.903 N/A ALA 188.A N HIS 184.A O no hydrogen 2.983 N/A ILE 189.A N THR 185.A O no hydrogen 2.923 N/A GLU 190.A N ARG 186.A O no hydrogen 3.063 N/A GLN 191.A N MET 187.A O no hydrogen 2.930 N/A GLN 191.A NE2 LYS 2.A O no hydrogen 2.833 N/A GLY 192.A N ILE 189.A O no hydrogen 3.193 N/A ASN 193.A N ALA 188.A O no hydrogen 2.748 N/A ASN 193.A ND2 TYR 4.A O no hydrogen 3.157 N/A ASN 193.A ND2 GLN 191.A OE1 no hydrogen 3.209 N/A PHE 196.A N GLN 12.A OE1 no hydrogen 2.772 N/A ILE 197.A N GLN 12.A OE1 no hydrogen 3.050 N/A