Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bhq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N THR 2.A OG1 no hydrogen 3.180 N/A ARG 6.A N THR 2.A O no hydrogen 2.894 N/A LYS 7.A N ARG 3.A O no hydrogen 2.900 N/A LYS 7.A NZ GLU 10.A OE1 no hydrogen 2.901 N/A LYS 7.A NZ GLY 36.A O no hydrogen 2.815 N/A ASP 8.A N SER 4.A O no hydrogen 2.983 N/A ARG 9.A N ALA 5.A O no hydrogen 3.014 N/A ARG 9.A NE GLU 1.A OE2 no hydrogen 3.057 N/A ARG 9.A NH2 GLU 1.A OE1 no hydrogen 3.281 N/A GLU 10.A N ARG 6.A O no hydrogen 2.898 N/A ILE 11.A N LYS 7.A O no hydrogen 2.886 N/A ILE 12.A N ASP 8.A O no hydrogen 2.955 N/A GLN 13.A N ARG 9.A O no hydrogen 2.879 N/A ALA 14.A N GLU 10.A O no hydrogen 2.966 N/A ALA 15.A N ILE 11.A O no hydrogen 2.837 N/A THR 16.A N ILE 12.A O no hydrogen 2.836 N/A THR 16.A OG1 ILE 12.A O no hydrogen 2.727 N/A ALA 17.A N GLN 13.A O no hydrogen 3.148 N/A ALA 18.A N ALA 14.A O no hydrogen 2.949 N/A PHE 19.A N ALA 15.A O no hydrogen 2.878 N/A ILE 20.A N THR 16.A O no hydrogen 3.069 N/A SER 21.A N ALA 17.A O no hydrogen 2.883 N/A LYS 22.A N ALA 18.A O no hydrogen 2.813 N/A LYS 22.A NZ SER 21.A OG no hydrogen 2.808 N/A GLY 23.A N PHE 19.A O no hydrogen 2.727 N/A GLY 26.A N GLY 23.A O no hydrogen 3.227 N/A SER 28.A N THR 27.A OG1 no hydrogen 2.792 N/A SER 28.A OG GLU 30.A OE1 no hydrogen 2.674 N/A GLU 30.A N SER 28.A OG no hydrogen 3.122 N/A ILE 31.A N SER 28.A O no hydrogen 2.936 N/A THR 33.A N GLU 29.A O no hydrogen 3.086 N/A THR 33.A OG1 GLU 29.A O no hydrogen 3.149 N/A LYS 34.A N GLU 30.A O no hydrogen 2.970 N/A ALA 35.A N ILE 31.A O no hydrogen 2.854 N/A GLY 36.A N THR 33.A O no hydrogen 3.143 N/A ALA 37.A N ALA 32.A O no hydrogen 2.950 N/A SER 38.A OG THR 41.A OG1 no hydrogen 2.993 N/A LYS 39.A NZ GLU 29.A OE2 no hydrogen 3.062 N/A THR 41.A N SER 38.A OG no hydrogen 2.952 N/A THR 41.A OG1 SER 38.A OG no hydrogen 2.993 N/A VAL 42.A N SER 38.A O no hydrogen 3.192 N/A TYR 43.A N LYS 39.A O no hydrogen 3.006 N/A TYR 43.A OH GLU 29.A OE2 no hydrogen 2.732 N/A LYS 44.A N GLN 40.A O no hydrogen 2.853 N/A HIS 45.A N THR 41.A O no hydrogen 2.973 N/A HIS 45.A ND1 ASP 8.A OD1 no hydrogen 2.658 N/A PHE 46.A N VAL 42.A O no hydrogen 2.866 N/A THR 47.A N TYR 43.A O no hydrogen 2.879 N/A ASP 48.A N PHE 46.A O no hydrogen 2.728 N/A LYS 49.A NZ TYR 24.A O no hydrogen 2.804 N/A LYS 49.A NZ THR 27.A O no hydrogen 2.884 N/A THR 51.A N ASP 48.A OD1 no hydrogen 2.833 N/A THR 51.A OG1 ASP 48.A OD1 no hydrogen 2.683 N/A LEU 52.A N ASP 48.A O no hydrogen 3.011 N/A PHE 53.A N LYS 49.A O no hydrogen 2.963 N/A GLY 54.A N GLU 50.A O no hydrogen 3.160 N/A GLU 55.A N THR 51.A O no hydrogen 3.089 N/A VAL 56.A N LEU 52.A O no hydrogen 2.962 N/A VAL 57.A N PHE 53.A O no hydrogen 3.014 N/A LEU 58.A N GLY 54.A O no hydrogen 3.033 N/A SER 59.A N GLU 55.A O no hydrogen 2.893 N/A SER 59.A OG.B GLU 55.A O no hydrogen 3.198 N/A THR 60.A N VAL 56.A O no hydrogen 2.995 N/A THR 60.A OG1 VAL 56.A O no hydrogen 3.349 N/A ALA 61.A N VAL 57.A O no hydrogen 2.941 N/A SER 62.A N LEU 58.A O no hydrogen 2.953 N/A GLN 63.A N SER 59.A O no hydrogen 2.956 N/A VAL 64.A N THR 60.A O no hydrogen 2.942 N/A ASN 65.A N ALA 61.A O no hydrogen 3.053 N/A ASN 65.A ND2 ALA 61.A O no hydrogen 2.948 N/A ASN 65.A ND2 GLY 123.A O no hydrogen 3.167 N/A ASP 66.A N SER 62.A O no hydrogen 2.945 N/A ILE 67.A N GLN 63.A O no hydrogen 3.285 N/A ILE 68.A N VAL 64.A O no hydrogen 2.965 N/A GLU 69.A N ASN 65.A O no hydrogen 2.877 N/A SER 70.A N ASP 66.A O no hydrogen 3.198 N/A SER 70.A OG.A ILE 67.A O no hydrogen 2.540 N/A SER 70.A OG.B ASP 66.A O no hydrogen 3.128 N/A VAL 71.A N ILE 67.A O no hydrogen 3.148 N/A THR 72.A N ILE 68.A O no hydrogen 2.913 N/A THR 72.A OG1 ILE 68.A O no hydrogen 3.059 N/A THR 72.A OG1 GLU 69.A O no hydrogen 3.208 N/A THR 72.A OG1 SER 129.A OG.C no hydrogen 3.415 N/A THR 73.A N GLU 69.A O no hydrogen 3.024 N/A THR 73.A OG1 GLU 69.A O no hydrogen 2.882 N/A LEU 74.A N SER 70.A O no hydrogen 3.112 N/A LEU 75.A N VAL 71.A O no hydrogen 3.110 N/A SER 76.A N THR 72.A O no hydrogen 3.187 N/A SER 76.A OG THR 73.A O no hydrogen 2.419 N/A GLU 77.A N LEU 74.A O no hydrogen 2.817 N/A ALA 78.A N LEU 75.A O no hydrogen 3.132 N/A GLY 83.A N PHE 80.A O no hydrogen 2.878 N/A GLN 85.A N GLU 81.A O no hydrogen 2.920 N/A GLN 86.A N GLY 82.A O no hydrogen 2.926 N/A LEU 87.A N GLY 83.A O no hydrogen 3.053 N/A ALA 88.A N LEU 84.A O no hydrogen 2.793 N/A ARG 89.A N GLN 85.A O no hydrogen 2.907 N/A ARG 89.A NE ASP 182.A OD1 no hydrogen 3.246 N/A ARG 89.A NH2 ASP 182.A OD1 no hydrogen 3.354 N/A ARG 89.A NH2 ASP 182.A OD2 no hydrogen 3.069 N/A ARG 90.A N GLN 86.A O no hydrogen 3.177 N/A LEU 91.A N LEU 87.A O no hydrogen 2.837 N/A ILE 92.A N ALA 88.A O no hydrogen 3.009 N/A ALA 93.A N ARG 89.A O no hydrogen 3.166 N/A VAL 94.A N ARG 90.A O no hydrogen 2.938 N/A LEU 95.A N LEU 91.A O no hydrogen 2.878 N/A LEU 99.A N ASP 96.A OD2 no hydrogen 3.124 N/A LEU 100.A N ASP 96.A O no hydrogen 3.000 N/A LYS 101.A N GLU 97.A O no hydrogen 3.061 N/A LYS 101.A NZ GLU 98.A OE2 no hydrogen 2.894 N/A LEU 102.A N GLU 98.A O no hydrogen 3.036 N/A ARG 103.A N LEU 99.A O no hydrogen 2.917 N/A ARG 103.A NH1.B LEU 95.A O no hydrogen 2.754 N/A ARG 103.A NH2.B LEU 95.A O no hydrogen 3.078 N/A ARG 104.A N LEU 100.A O no hydrogen 3.027 N/A ARG 104.A NH2 ALA 165.A O no hydrogen 3.062 N/A LEU 105.A N LYS 101.A O no hydrogen 3.163 N/A ILE 106.A N LEU 102.A O no hydrogen 2.950 N/A ILE 107.A N ARG 103.A O no hydrogen 3.030 N/A ALA 108.A N ARG 104.A O no hydrogen 2.805 N/A ASN 109.A N LEU 105.A O no hydrogen 3.065 N/A ASN 109.A N ILE 106.A O no hydrogen 3.253 N/A ASN 109.A ND2 LEU 105.A O no hydrogen 2.786 N/A ALA 110.A N ILE 107.A O no hydrogen 3.116 N/A ARG 112.A NE.B ASN 109.A OD1 no hydrogen 3.044 N/A ARG 112.A NH1.A ASP 25.A OD1 no hydrogen 3.254 N/A ARG 112.A NH1.A ASP 25.A OD2 no hydrogen 3.292 N/A ARG 112.A NH1.B ASP 25.A OD1 no hydrogen 3.486 N/A ARG 112.A NH1.B ASP 25.A OD2 no hydrogen 3.237 N/A ARG 112.A NH2.A ASP 25.A OD1 no hydrogen 2.990 N/A ARG 112.A NH2.B ASN 109.A OD1 no hydrogen 3.059 N/A GLN 114.A N GLN 114.A OE1 no hydrogen 2.755 N/A GLN 114.A NE2 GLU 50.A OE2 no hydrogen 2.913 N/A ARG 117.A N PRO 113.A O no hydrogen 3.178 N/A ALA 118.A N GLN 114.A O no hydrogen 2.938 N/A TRP 119.A N LEU 115.A O no hydrogen 2.911 N/A TYR 120.A N GLY 116.A O no hydrogen 2.843 N/A GLU 121.A N ARG 117.A O no hydrogen 2.964 N/A LYS 122.A N ALA 118.A O no hydrogen 2.849 N/A GLY 123.A N TRP 119.A O no hydrogen 2.780 N/A PHE 124.A N TRP 119.A O no hydrogen 2.915 N/A GLU 125.A N TYR 120.A O no hydrogen 2.796 N/A ARG 126.A NH2 GLU 69.A OE2 no hydrogen 3.362 N/A ALA 128.A N GLU 125.A O no hydrogen 2.837 N/A SER 129.A N ARG 126.A O no hydrogen 2.910 N/A SER 129.A OG.A ARG 126.A O no hydrogen 3.143 N/A SER 129.A OG.B ARG 126.A O no hydrogen 3.394 N/A SER 129.A OG.C THR 72.A OG1 no hydrogen 3.415 N/A ALA 131.A N LEU 127.A O no hydrogen 2.773 N/A SER 132.A N ALA 128.A O no hydrogen 2.920 N/A CYS 133.A N SER 129.A O no hydrogen 3.109 N/A CYS 133.A SG THR 72.A O no hydrogen 3.637 N/A PHE 134.A N THR 130.A O no hydrogen 2.882 N/A GLN 135.A N ALA 131.A O no hydrogen 2.914 N/A GLN 135.A NE2 GLN 135.A O no hydrogen 3.136 N/A GLN 135.A NE2 ASN 139.A OD1 no hydrogen 2.778 N/A LYS 136.A N SER 132.A O no hydrogen 3.211 N/A LEU 137.A N CYS 133.A O no hydrogen 2.990 N/A THR 138.A N PHE 134.A O no hydrogen 2.774 N/A THR 138.A OG1 PHE 134.A O no hydrogen 2.897 N/A THR 138.A OG1 THR 145.A OG1 no hydrogen 2.873 N/A ASN 139.A N GLN 135.A O no hydrogen 2.826 N/A ARG 140.A N LYS 136.A O no hydrogen 3.083 N/A ARG 140.A NH1 SER 76.A O no hydrogen 3.053 N/A GLY 141.A N THR 138.A O no hydrogen 2.954 N/A LEU 142.A N LEU 137.A O no hydrogen 2.961 N/A GLN 144.A N TYR 192.A O no hydrogen 2.767 N/A THR 145.A N THR 138.A OG1 no hydrogen 2.978 N/A THR 145.A OG1 PHE 134.A O no hydrogen 3.488 N/A THR 145.A OG1 THR 138.A OG1 no hydrogen 2.873 N/A LEU 150.A N ASP 147.A OD1 no hydrogen 3.175 N/A ALA 151.A N ASP 147.A O no hydrogen 2.951 N/A ALA 152.A N PRO 148.A O no hydrogen 2.858 N/A SER 153.A N TYR 149.A O no hydrogen 2.954 N/A SER 153.A OG LEU 150.A O no hydrogen 2.701 N/A HIS 154.A N LEU 150.A O no hydrogen 2.893 N/A HIS 154.A ND1 TYR 192.A OH no hydrogen 2.721 N/A LEU 155.A N ALA 151.A O no hydrogen 3.019 N/A PHE 156.A N ALA 152.A O no hydrogen 2.987 N/A GLY 157.A N SER 153.A O no hydrogen 2.738 N/A LEU 159.A N PHE 156.A O no hydrogen 2.855 N/A TRP 160.A N GLY 157.A O no hydrogen 2.952 N/A ASN 163.A ND2 TRP 160.A O no hydrogen 2.744 N/A GLU 164.A N ILE 161.A O no hydrogen 2.856 N/A ALA 165.A N PRO 162.A O no hydrogen 2.971 N/A THR 167.A N GLU 164.A O no hydrogen 2.861 N/A THR 167.A OG1 GLU 164.A O no hydrogen 2.548 N/A GLY 168.A N ALA 165.A O no hydrogen 2.843 N/A SER 169.A N THR 167.A OG1 no hydrogen 3.183 N/A ASN 170.A ND2 GLU 97.A OE1 no hydrogen 2.936 N/A ARG 171.A NH1.A SER 169.A OG no hydrogen 3.364 N/A SER 173.A N GLU 176.A OE1 no hydrogen 3.364 N/A SER 173.A OG GLU 176.A OE1 no hydrogen 3.370 N/A GLU 176.A N SER 173.A OG no hydrogen 3.067 N/A LEU 177.A N SER 173.A O no hydrogen 2.953 N/A GLU 178.A N LYS 174.A O no hydrogen 3.072 N/A ARG 179.A N ALA 175.A O no hydrogen 2.997 N/A HIS 180.A N GLU 176.A O no hydrogen 2.998 N/A HIS 180.A NE2 LEU 158.A O no hydrogen 2.705 N/A ALA 181.A N LEU 177.A O no hydrogen 2.994 N/A ASP 182.A N GLU 178.A O no hydrogen 2.890 N/A ALA 183.A N ARG 179.A O no hydrogen 3.036 N/A SER 184.A N HIS 180.A O no hydrogen 3.106 N/A SER 184.A OG HIS 180.A O no hydrogen 2.910 N/A VAL 185.A N ALA 181.A O no hydrogen 2.966 N/A GLU 186.A N ASP 182.A O no hydrogen 2.916 N/A ALA 187.A N ALA 183.A O no hydrogen 3.149 N/A PHE 188.A N SER 184.A O no hydrogen 2.916 N/A LEU 189.A N VAL 185.A O no hydrogen 2.872 N/A ALA 190.A N GLU 186.A O no hydrogen 3.115 N/A VAL 191.A N PHE 188.A O no hydrogen 3.204 N/A TYR 192.A N PHE 188.A O no hydrogen 2.857 N/A TYR 192.A OH HIS 154.A ND1 no hydrogen 2.721 N/A GLY 193.A N LEU 189.A O no hydrogen 2.820 N/A