Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qxg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A NZ LEU 3.A O no hydrogen 2.936 N/A LYS 4.A N GLU 164.A O no hydrogen 2.783 N/A LYS 4.A NZ.B GLU 164.A OE2 no hydrogen 3.258 N/A ALA 5.A N GLU 164.A O no hydrogen 3.258 N/A VAL 6.A N THR 106.A O no hydrogen 2.982 N/A LEU 7.A N VAL 166.A O no hydrogen 2.776 N/A PHE 8.A N MET 108.A O no hydrogen 2.835 N/A ASP 9.A N ILE 168.A O no hydrogen 3.010 N/A GLY 12.A N PHE 15.A O no hydrogen 2.784 N/A VAL 13.A N MET 10.A O no hydrogen 3.239 N/A LEU 14.A N MET 10.A O no hydrogen 2.878 N/A PHE 15.A N MET 10.A O no hydrogen 3.177 N/A ASN 16.A N GLU 88.A O no hydrogen 2.763 N/A SER 17.A OG ASP 11.A OD1 no hydrogen 2.663 N/A TYR 20.A OH PRO 85.A O no hydrogen 2.626 N/A HIS 21.A N SER 17.A O no hydrogen 2.957 N/A HIS 21.A NE2 ASP 11.A OD1 no hydrogen 2.906 N/A SER 22.A N MET 18.A O no hydrogen 2.889 N/A SER 22.A OG MET 18.A O no hydrogen 2.793 N/A SER 22.A OG PRO 19.A O no hydrogen 3.186 N/A GLU 23.A N PRO 19.A O no hydrogen 3.135 N/A ALA 24.A N TYR 20.A O no hydrogen 2.874 N/A TRP 25.A N HIS 21.A O no hydrogen 2.938 N/A HIS 26.A N SER 22.A O no hydrogen 3.009 N/A HIS 26.A ND1 LEU 36.A O no hydrogen 2.810 N/A GLN 27.A N GLU 23.A O no hydrogen 2.840 N/A GLN 27.A NE2 GLU 23.A OE2 no hydrogen 2.845 N/A VAL 28.A N ALA 24.A O no hydrogen 2.914 N/A MET 29.A N TRP 25.A O no hydrogen 3.058 N/A LYS 30.A N HIS 26.A O no hydrogen 3.001 N/A THR 31.A N GLN 27.A O no hydrogen 2.983 N/A THR 31.A OG1.A GLN 27.A O no hydrogen 2.866 N/A THR 31.A OG1.B VAL 28.A O no hydrogen 2.678 N/A HIS 32.A N VAL 28.A O no hydrogen 3.303 N/A HIS 32.A N MET 29.A O no hydrogen 2.979 N/A HIS 32.A NE2 GLU 76.A OE1 no hydrogen 2.641 N/A GLY 33.A N LYS 30.A O no hydrogen 3.042 N/A LEU 34.A N MET 29.A O no hydrogen 2.878 N/A ASP 35.A N GLU 60.A OE1 no hydrogen 3.210 N/A SER 37.A N GLU 40.A OE1.A no hydrogen 2.943 N/A SER 37.A OG GLU 40.A OE1.A no hydrogen 3.315 N/A ARG 38.A NE GLU 23.A OE1 no hydrogen 2.718 N/A ARG 38.A NH2 GLU 23.A OE2 no hydrogen 2.972 N/A GLU 40.A N SER 37.A OG no hydrogen 2.995 N/A ALA 41.A N SER 37.A O no hydrogen 2.885 N/A TYR 42.A N ARG 38.A O no hydrogen 3.069 N/A MET 43.A N GLU 39.A O no hydrogen 2.982 N/A HIS 44.A N GLU 40.A O no hydrogen 2.932 N/A HIS 44.A NE2 GLU 40.A OE2.B no hydrogen 2.750 N/A GLU 45.A N TYR 42.A O no hydrogen 3.096 N/A ARG 47.A N HIS 44.A O no hydrogen 3.154 N/A ARG 47.A NE HIS 44.A ND1 no hydrogen 3.387 N/A SER 51.A N THR 48.A OG1 no hydrogen 3.209 N/A THR 52.A N THR 48.A O no hydrogen 2.962 N/A THR 52.A OG1 THR 48.A O no hydrogen 2.903 N/A ILE 53.A N GLY 49.A O no hydrogen 3.059 N/A ASN 54.A N ALA 50.A O no hydrogen 3.022 N/A ILE 55.A N SER 51.A O no hydrogen 2.942 N/A VAL 56.A N THR 52.A O no hydrogen 3.365 N/A PHE 57.A N ILE 53.A O no hydrogen 3.059 N/A GLN 58.A N ASN 54.A O no hydrogen 2.808 N/A ARG 59.A N ILE 55.A O no hydrogen 3.136 N/A ARG 59.A NH1 GLU 40.A OE2.B no hydrogen 2.716 N/A ARG 59.A NH2 GLU 40.A OE2.B no hydrogen 3.382 N/A GLU 60.A N VAL 56.A O no hydrogen 2.911 N/A LEU 61.A N PHE 57.A O no hydrogen 2.805 N/A GLY 62.A N GLN 58.A O no hydrogen 3.148 N/A ALA 65.A N ASN 54.A OD1.A no hydrogen 2.786 N/A ALA 65.A N ASN 54.A OD1.B no hydrogen 3.054 N/A THR 66.A N GLU 69.A OE1 no hydrogen 2.960 N/A THR 66.A OG1 GLU 68.A OE2.A no hydrogen 3.349 N/A GLN 67.A NE2 GLU 71.A OE2 no hydrogen 2.719 N/A GLU 69.A N THR 66.A OG1 no hydrogen 3.040 N/A ILE 70.A N THR 66.A O no hydrogen 2.921 N/A GLU 71.A N GLN 67.A O no hydrogen 2.917 N/A SER 72.A N GLU 68.A O no hydrogen 2.931 N/A SER 72.A OG.A GLU 68.A O no hydrogen 3.179 N/A SER 72.A OG.A GLU 68.A OE2.B no hydrogen 2.779 N/A SER 72.A OG.B GLU 76.A OE2 no hydrogen 3.295 N/A ILE 73.A N GLU 69.A O no hydrogen 2.993 N/A TYR 74.A N ILE 70.A O no hydrogen 2.918 N/A HIS 75.A N GLU 71.A O no hydrogen 2.995 N/A GLU 76.A N SER 72.A O no hydrogen 3.122 N/A LYS 77.A N ILE 73.A O no hydrogen 2.906 N/A LYS 77.A NZ HIS 21.A ND1 no hydrogen 2.845 N/A LYS 77.A NZ GLN 115.A OE1 no hydrogen 3.292 N/A SER 78.A N TYR 74.A O no hydrogen 2.870 N/A ILE 79.A N HIS 75.A O no hydrogen 3.107 N/A LEU 80.A N GLU 76.A O no hydrogen 2.996 N/A PHE 81.A N LYS 77.A O no hydrogen 2.846 N/A ASN 82.A N SER 78.A O no hydrogen 3.069 N/A SER 83.A N LEU 80.A O no hydrogen 3.043 N/A SER 83.A OG LEU 80.A O no hydrogen 2.695 N/A TYR 84.A N PHE 81.A O no hydrogen 3.369 N/A ARG 89.A NH1 ASN 125.A OD1 no hydrogen 2.832 N/A MET 90.A N LEU 14.A O no hydrogen 2.886 N/A ALA 93.A N MET 90.A O no hydrogen 3.042 N/A LEU 96.A N GLY 92.A O no hydrogen 2.894 N/A LEU 97.A N ALA 93.A O no hydrogen 2.895 N/A GLN 98.A N TRP 94.A O no hydrogen 2.949 N/A LYS 99.A N GLU 95.A O no hydrogen 3.030 N/A LYS 99.A NZ.A ASP 218.A OD2 no hydrogen 3.358 N/A LYS 99.A NZ.B CYS 214.A O no hydrogen 2.767 N/A VAL 100.A N LEU 96.A O no hydrogen 2.854 N/A LYS 101.A N LEU 97.A O no hydrogen 2.895 N/A LYS 101.A NZ.A GLY 128.A O no hydrogen 3.204 N/A LYS 101.A NZ.B GLY 128.A O no hydrogen 3.298 N/A SER 102.A N GLN 98.A O no hydrogen 2.901 N/A SER 102.A OG.A GLN 98.A O no hydrogen 2.843 N/A SER 102.A OG.B GLN 98.A O no hydrogen 3.401 N/A SER 102.A OG.B LYS 99.A O no hydrogen 2.718 N/A GLU 103.A N LYS 99.A O no hydrogen 3.040 N/A GLU 103.A N VAL 100.A O no hydrogen 3.171 N/A GLY 104.A N LYS 101.A O no hydrogen 3.018 N/A LEU 105.A N VAL 100.A O no hydrogen 3.129 N/A THR 106.A N LYS 4.A O no hydrogen 2.864 N/A MET 108.A N VAL 6.A O no hydrogen 2.864 N/A VAL 110.A N PHE 8.A O no hydrogen 2.859 N/A THR 111.A N VAL 136.A O no hydrogen 2.856 N/A SER 113.A N THR 111.A OG1 no hydrogen 2.975 N/A GLN 115.A N SER 113.A OG no hydrogen 2.971 N/A GLN 115.A NE2 SER 78.A OG.A no hydrogen 2.833 N/A SER 117.A OG ASN 82.A OD1 no hydrogen 2.754 N/A LEU 118.A N GLN 115.A O no hydrogen 3.109 N/A LEU 119.A N GLN 115.A O no hydrogen 3.045 N/A GLU 120.A N LEU 116.A O no hydrogen 2.851 N/A ARG 121.A N LEU 118.A O no hydrogen 2.973 N/A ARG 121.A NH1 ALA 87.A O no hydrogen 2.892 N/A ARG 121.A NH2 ALA 87.A O no hydrogen 2.912 N/A LEU 122.A N LEU 119.A O no hydrogen 3.358 N/A ASN 125.A N ARG 121.A O no hydrogen 2.993 N/A ASN 125.A ND2 ARG 121.A O no hydrogen 2.880 N/A PHE 126.A N LEU 122.A O no hydrogen 2.840 N/A GLY 128.A N GLU 123.A OE2 no hydrogen 2.992 N/A MET 129.A N PHE 126.A O no hydrogen 3.158 N/A GLU 133.A N GLU 133.A OE1 no hydrogen 2.857 N/A LEU 134.A N HIS 131.A O no hydrogen 2.791 N/A VAL 136.A N VAL 109.A O no hydrogen 2.898 N/A THR 137.A N ASP 140.A OD2 no hydrogen 2.898 N/A ALA 138.A N SER 113.A O no hydrogen 2.942 N/A PHE 139.A N THR 137.A OG1 no hydrogen 3.184 N/A ASP 140.A N THR 137.A O no hydrogen 2.918 N/A VAL 141.A N ALA 138.A O no hydrogen 3.367 N/A LYS 142.A N GLU 149.A OE2 no hydrogen 2.774 N/A LYS 142.A NZ TYR 143.A OH no hydrogen 3.057 N/A TYR 143.A N GLU 149.A OE1 no hydrogen 2.777 N/A GLY 144.A N GLU 149.A OE1 no hydrogen 2.846 N/A LYS 145.A NZ VAL 110.A O no hydrogen 2.947 N/A LYS 145.A NZ GLU 169.A OE2 no hydrogen 2.788 N/A ASN 147.A N GLY 144.A O no hydrogen 3.028 N/A GLU 149.A N ASN 147.A OD1 no hydrogen 2.875 N/A TYR 151.A OH GLU 169.A OE2 no hydrogen 2.681 N/A LEU 152.A N PRO 148.A O no hydrogen 2.962 N/A MET 153.A N GLU 149.A O no hydrogen 2.881 N/A ALA 154.A N PRO 150.A O no hydrogen 2.994 N/A LEU 155.A N TYR 151.A O no hydrogen 2.955 N/A LYS 156.A N LEU 152.A O no hydrogen 3.031 N/A LYS 157.A N MET 153.A O no hydrogen 2.880 N/A LYS 157.A NZ MET 135.A O no hydrogen 2.787 N/A LYS 157.A NZ ASP 140.A OD1 no hydrogen 3.102 N/A LYS 157.A NZ ASP 140.A OD2 no hydrogen 3.511 N/A GLY 158.A N ALA 154.A O no hydrogen 2.938 N/A GLY 159.A N LYS 156.A O no hydrogen 3.129 N/A LEU 160.A N LEU 155.A O no hydrogen 2.791 N/A LYS 161.A N GLU 164.A OE1 no hydrogen 2.818 N/A GLU 164.A N LYS 161.A O no hydrogen 2.988 N/A ALA 165.A N ALA 162.A O no hydrogen 3.373 N/A VAL 166.A N ALA 5.A O no hydrogen 3.131 N/A VAL 167.A N PHE 184.A O no hydrogen 2.894 N/A ILE 168.A N LEU 7.A O no hydrogen 2.885 N/A GLU 169.A N ILE 186.A O no hydrogen 2.978 N/A ASN 170.A N GLU 169.A OE1 no hydrogen 3.202 N/A ASN 170.A ND2 GLU 45.A OE2 no hydrogen 2.840 N/A ASN 170.A ND2 THR 190.A OG1 no hydrogen 3.230 N/A VAL 175.A N ALA 171.A O no hydrogen 2.913 N/A GLU 176.A N PRO 172.A O no hydrogen 2.907 N/A ALA 177.A N LEU 173.A O no hydrogen 3.071 N/A GLY 178.A N GLY 174.A O no hydrogen 3.038 N/A HIS 179.A N VAL 175.A O no hydrogen 2.886 N/A LYS 180.A N GLU 176.A O no hydrogen 2.827 N/A LYS 180.A NZ GLU 176.A OE2 no hydrogen 2.848 N/A ALA 181.A N ALA 177.A O no hydrogen 3.071 N/A ALA 181.A N GLY 178.A O no hydrogen 3.201 N/A GLY 182.A N HIS 179.A O no hydrogen 2.935 N/A ILE 183.A N GLY 178.A O no hydrogen 3.153 N/A THR 185.A N ASP 204.A OD2 no hydrogen 2.865 N/A THR 185.A OG1.A ILE 183.A O no hydrogen 2.798 N/A THR 185.A OG1.B ASP 204.A OD2 no hydrogen 3.387 N/A ILE 186.A N VAL 167.A O no hydrogen 2.780 N/A ALA 187.A N LEU 205.A O no hydrogen 2.874 N/A VAL 188.A N GLU 169.A O no hydrogen 2.818 N/A ASN 189.A N PHE 207.A O no hydrogen 2.896 N/A ASN 189.A ND2 LEU 193.A O no hydrogen 2.921 N/A THR 190.A OG1 GLY 12.A O no hydrogen 2.749 N/A GLN 196.A N GLN 196.A OE1 no hydrogen 2.844 N/A VAL 197.A N ASP 194.A O no hydrogen 2.961 N/A LEU 198.A N GLY 195.A O no hydrogen 2.972 N/A LEU 199.A N GLY 195.A O no hydrogen 3.078 N/A ASP 200.A N GLN 196.A O no hydrogen 2.755 N/A ALA 201.A N VAL 197.A O no hydrogen 3.194 N/A GLY 202.A N LEU 199.A O no hydrogen 3.005 N/A ALA 203.A N LEU 198.A O no hydrogen 3.341 N/A ASP 204.A N THR 185.A O no hydrogen 2.775 N/A LEU 205.A N THR 185.A O no hydrogen 3.471 N/A PHE 207.A N ALA 187.A O no hydrogen 2.866 N/A SER 209.A OG THR 212.A OG1 no hydrogen 2.962 N/A GLN 211.A NE2 GLU 95.A OE1 no hydrogen 3.103 N/A GLN 211.A NE2 GLN 211.A O no hydrogen 3.301 N/A GLN 211.A NE2 ASP 215.A OD1 no hydrogen 3.106 N/A THR 212.A N SER 209.A OG no hydrogen 3.059 N/A THR 212.A OG1 SER 209.A O no hydrogen 3.022 N/A THR 212.A OG1 SER 209.A OG no hydrogen 2.962 N/A LEU 213.A N SER 209.A O no hydrogen 3.075 N/A CYS 214.A N MET 210.A O no hydrogen 2.935 N/A ASP 215.A N GLN 211.A O no hydrogen 2.838 N/A SER 216.A N THR 212.A O no hydrogen 2.947 N/A SER 216.A N LEU 213.A O no hydrogen 3.097 N/A SER 216.A OG THR 212.A O no hydrogen 2.839 N/A TRP 217.A N CYS 214.A O no hydrogen 3.234 N/A TRP 217.A NE1 GLU 103.A OE1 no hydrogen 2.990 N/A ILE 220.A N SER 216.A O no hydrogen 3.028 N/A MET 221.A N TRP 217.A O no hydrogen 3.029 N/A LEU 222.A N THR 219.A O no hydrogen 3.337 N/A