Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bzw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 6.A NE1 LEU 236.A O no hydrogen 2.798 N/A GLN 7.A N HIS 4.A O no hydrogen 3.034 N/A GLY 8.A N LEU 39.A O no hydrogen 2.774 N/A LYS 9.A N TRP 6.A O no hydrogen 3.070 N/A LYS 10.A N ASP 72.A OD2 no hydrogen 2.865 N/A VAL 11.A N THR 42.A O no hydrogen 2.857 N/A GLY 12.A N ALA 73.A O no hydrogen 2.926 N/A TYR 13.A N PHE 44.A O no hydrogen 2.800 N/A ILE 14.A N LEU 75.A O no hydrogen 2.893 N/A GLY 15.A N GLN 59.A OE1 no hydrogen 2.982 N/A SER 17.A OG SER 49.A OG no hydrogen 3.263 N/A ILE 18.A N ASP 16.A OD1 no hydrogen 3.088 N/A THR 19.A N ASP 16.A O no hydrogen 2.942 N/A THR 19.A OG1 TYR 31.A OH no hydrogen 2.711 N/A ASP 20.A N ASP 16.A O no hydrogen 2.836 N/A ASN 22.A N ASP 20.A OD1 no hydrogen 2.768 N/A CYS 23.A N ASP 20.A O no hydrogen 3.179 N/A CYS 23.A SG SER 17.A OG no hydrogen 3.086 N/A TYR 24.A OH ASP 215.A OD2 no hydrogen 2.596 N/A GLY 25.A N ASN 22.A O no hydrogen 2.906 N/A ASN 27.A N TYR 24.A O no hydrogen 2.945 N/A LYS 29.A N THR 221.A OG1 no hydrogen 2.891 N/A LYS 29.A NZ GLU 37.A OE1 no hydrogen 2.760 N/A LYS 30.A NZ PRO 21.A O no hydrogen 2.809 N/A LYS 30.A NZ CYS 23.A O no hydrogen 2.983 N/A LYS 30.A NZ ILE 28.A O no hydrogen 2.838 N/A TYR 31.A N GLN 224.A OE1 no hydrogen 2.755 N/A TYR 31.A OH THR 19.A OG1 no hydrogen 2.711 N/A TRP 32.A NE1 THR 19.A O no hydrogen 2.765 N/A ASP 33.A N LYS 30.A O no hydrogen 2.814 N/A PHE 34.A N LYS 30.A O no hydrogen 3.314 N/A LEU 35.A N TYR 31.A O no hydrogen 3.091 N/A LYS 36.A N TRP 32.A O no hydrogen 3.024 N/A GLU 37.A N ASP 33.A O no hydrogen 3.180 N/A TRP 38.A N PHE 34.A O no hydrogen 2.781 N/A LEU 39.A N LEU 35.A O no hydrogen 2.864 N/A THR 42.A N LYS 9.A O no hydrogen 2.991 N/A PHE 44.A N VAL 11.A O no hydrogen 2.849 N/A TYR 46.A N TYR 13.A O no hydrogen 2.889 N/A TYR 46.A OH GLU 66.A OE1 no hydrogen 2.617 N/A ILE 48.A N GLY 15.A O no hydrogen 3.264 N/A SER 49.A N ASP 20.A OD2 no hydrogen 2.900 N/A SER 49.A OG SER 17.A OG no hydrogen 3.263 N/A SER 49.A OG ASP 20.A OD2 no hydrogen 3.048 N/A ARG 51.A N ILE 48.A O no hydrogen 3.162 N/A ARG 51.A NH1 ASP 55.A OD2 no hydrogen 3.005 N/A TRP 53.A N ASP 81.A OD2 no hydrogen 2.839 N/A ASP 55.A N GLN 52.A O no hydrogen 2.902 N/A VAL 56.A N TRP 53.A O no hydrogen 3.362 N/A ARG 58.A NE ASP 55.A OD1 no hydrogen 2.683 N/A ARG 58.A NE ASP 55.A OD2 no hydrogen 3.412 N/A ARG 58.A NH2 ASP 55.A OD2 no hydrogen 3.026 N/A GLN 59.A N ASP 55.A O no hydrogen 3.090 N/A GLN 59.A NE2 GLY 15.A O no hydrogen 3.060 N/A GLN 59.A NE2 ASP 55.A OD2 no hydrogen 2.939 N/A ALA 60.A N VAL 56.A O no hydrogen 2.862 N/A GLU 61.A N PRO 57.A O no hydrogen 2.786 N/A LYS 62.A N ARG 58.A O no hydrogen 2.989 N/A LEU 63.A N GLN 59.A O no hydrogen 2.985 N/A LYS 64.A N ALA 60.A O no hydrogen 2.948 N/A LYS 64.A NZ LEU 135.A O no hydrogen 3.293 N/A LYS 65.A N GLU 61.A O no hydrogen 2.940 N/A GLU 66.A N LYS 62.A O no hydrogen 2.900 N/A HIS 67.A N LEU 63.A O no hydrogen 2.765 N/A HIS 67.A ND1 GLU 70.A OE2 no hydrogen 2.924 N/A GLY 68.A N LYS 64.A O no hydrogen 2.770 N/A GLU 70.A N HIS 67.A O no hydrogen 2.829 N/A VAL 71.A N HIS 67.A O no hydrogen 2.978 N/A ASP 72.A N LYS 10.A O no hydrogen 2.791 N/A ALA 73.A N LYS 10.A O no hydrogen 3.270 N/A ILE 74.A N GLN 140.A O no hydrogen 2.909 N/A LEU 75.A N GLY 12.A O no hydrogen 2.935 N/A VAL 76.A N VAL 142.A O no hydrogen 2.903 N/A PHE 77.A N ILE 14.A O no hydrogen 2.901 N/A ASN 80.A ND2 ARG 51.A O no hydrogen 2.820 N/A ASP 81.A N GLY 78.A O no hydrogen 2.999 N/A TYR 82.A N GLY 78.A O no hydrogen 3.259 N/A TYR 82.A OH TYR 165.A O no hydrogen 2.691 N/A ASN 83.A N THR 79.A O no hydrogen 3.135 N/A SER 84.A N ASN 80.A O no hydrogen 2.820 N/A SER 84.A OG ASN 80.A O no hydrogen 3.042 N/A SER 85.A N TYR 82.A O no hydrogen 3.064 N/A VAL 86.A N ASP 81.A O no hydrogen 3.007 N/A THR 93.A N THR 114.A O no hydrogen 2.922 N/A THR 93.A OG1 THR 114.A O no hydrogen 3.436 N/A GLN 95.A N LYS 112.A O no hydrogen 3.112 N/A GLU 97.A N ARG 110.A O no hydrogen 2.924 N/A GLN 98.A NE2 THR 109.A OG1 no hydrogen 2.674 N/A VAL 99.A N VAL 108.A O no hydrogen 2.883 N/A SER 101.A N LYS 107.A O no hydrogen 3.151 N/A HIS 103.A NE2 SER 101.A OG no hydrogen 3.027 N/A LYS 107.A N SER 101.A O no hydrogen 3.230 N/A ARG 110.A N GLU 97.A O no hydrogen 2.895 N/A ARG 110.A NH1 THR 109.A O no hydrogen 2.840 N/A LYS 112.A N GLN 95.A O no hydrogen 2.957 N/A THR 114.A N THR 93.A O no hydrogen 2.907 N/A VAL 116.A N TRP 91.A O no hydrogen 2.978 N/A THR 117.A OG1 ASP 119.A OD2 no hydrogen 2.925 N/A ASP 119.A N THR 117.A OG1 no hydrogen 3.012 N/A TYR 121.A N PRO 87.A O no hydrogen 2.740 N/A TYR 121.A OH TYR 176.A O no hydrogen 2.963 N/A ARG 122.A N ILE 88.A O no hydrogen 2.926 N/A ARG 122.A NH1 GLY 89.A O no hydrogen 2.844 N/A GLY 123.A N THR 120.A OG1 no hydrogen 2.970 N/A ARG 124.A N THR 120.A O no hydrogen 2.898 N/A ARG 124.A NE GLN 118.A O no hydrogen 2.872 N/A ARG 124.A NH1 GLN 52.A OE1 no hydrogen 2.737 N/A ARG 124.A NH1 ASP 81.A OD1 no hydrogen 2.791 N/A ARG 124.A NH2 GLN 118.A O no hydrogen 3.391 N/A ILE 125.A N TYR 121.A O no hydrogen 2.958 N/A ASN 126.A N ARG 122.A O no hydrogen 2.967 N/A ASN 126.A ND2 TRP 91.A O no hydrogen 2.968 N/A ASN 126.A ND2 VAL 116.A O no hydrogen 3.041 N/A ILE 127.A N GLY 123.A O no hydrogen 3.018 N/A GLY 128.A N ARG 124.A O no hydrogen 2.785 N/A ILE 129.A N ILE 125.A O no hydrogen 2.866 N/A THR 130.A N ASN 126.A O no hydrogen 3.130 N/A THR 130.A OG1 ASN 126.A O no hydrogen 2.764 N/A GLN 131.A N ILE 127.A O no hydrogen 3.068 N/A LEU 132.A N GLY 128.A O no hydrogen 2.947 N/A LYS 133.A N ILE 129.A O no hydrogen 2.958 N/A LYS 133.A NZ GLY 188.A O no hydrogen 2.879 N/A LYS 134.A N THR 130.A O no hydrogen 2.853 N/A LEU 135.A N GLN 131.A O no hydrogen 2.921 N/A PHE 136.A N LEU 132.A O no hydrogen 2.878 N/A LYS 139.A N PHE 136.A O no hydrogen 3.264 N/A LYS 139.A NZ VAL 71.A O no hydrogen 3.066 N/A GLN 140.A NE2 PRO 237.A O no hydrogen 2.771 N/A VAL 142.A N ILE 74.A O no hydrogen 2.836 N/A LEU 143.A N PRO 190.A O no hydrogen 3.091 N/A LEU 144.A N VAL 76.A O no hydrogen 2.790 N/A THR 145.A N ILE 192.A O no hydrogen 3.315 N/A THR 145.A OG1 ASP 193.A OD1 no hydrogen 2.831 N/A ARG 149.A N GLU 163.A OE1 no hydrogen 2.843 N/A ARG 149.A NH1 THR 79.A OG1 no hydrogen 2.989 N/A ARG 149.A NH2 GLN 160.A OE1 no hydrogen 2.696 N/A SER 150.A N ARG 216.A O no hydrogen 2.986 N/A LEU 151.A N SER 150.A OG no hydrogen 2.654 N/A ALA 152.A N GLN 160.A O no hydrogen 3.065 N/A ASN 153.A N TYR 214.A O no hydrogen 2.769 N/A PHE 154.A N ASN 158.A O no hydrogen 2.836 N/A GLY 155.A N ASN 153.A OD1 no hydrogen 3.494 N/A ASN 158.A N GLY 155.A O no hydrogen 3.147 N/A GLN 160.A N ALA 152.A O no hydrogen 2.757 N/A GLN 160.A NE2 ASN 158.A OD1 no hydrogen 2.913 N/A GLU 163.A N ARG 149.A O no hydrogen 3.233 N/A SER 164.A N ASP 162.A OD1 no hydrogen 2.777 N/A SER 164.A OG ASP 162.A OD1 no hydrogen 2.512 N/A TYR 165.A N ASP 162.A O no hydrogen 3.217 N/A ASN 167.A N GLU 171.A O no hydrogen 2.790 N/A ASN 167.A ND2 TYR 82.A O no hydrogen 2.896 N/A ASN 167.A ND2 TYR 176.A OH no hydrogen 2.963 N/A GLY 168.A N SER 85.A OG no hydrogen 2.698 N/A CYS 169.A N ASN 167.A OD1 no hydrogen 2.959 N/A CYS 169.A SG ASN 167.A OD1 no hydrogen 3.503 N/A CYS 169.A SG TYR 176.A OH no hydrogen 3.522 N/A GLY 170.A N ASN 167.A O no hydrogen 3.330 N/A GLU 171.A N ASN 167.A OD1 no hydrogen 3.017 N/A ALA 175.A N TYR 172.A O no hydrogen 3.109 N/A TYR 176.A N ILE 173.A O no hydrogen 2.930 N/A TYR 176.A OH VAL 86.A O no hydrogen 2.623 N/A VAL 177.A N ILE 173.A O no hydrogen 3.180 N/A VAL 177.A N ASP 174.A O no hydrogen 3.081 N/A GLN 178.A N ASP 174.A O no hydrogen 2.833 N/A ALA 179.A N ALA 175.A O no hydrogen 3.161 N/A ILE 180.A N VAL 177.A O no hydrogen 3.246 N/A LYS 181.A N VAL 177.A O no hydrogen 3.269 N/A LYS 181.A NZ ASP 193.A OD2 no hydrogen 2.863 N/A GLU 182.A N GLN 178.A O no hydrogen 2.861 N/A ALA 183.A N ALA 179.A O no hydrogen 3.065 N/A ALA 183.A N ILE 180.A O no hydrogen 3.061 N/A GLY 184.A N LYS 181.A O no hydrogen 3.229 N/A ILE 186.A N GLU 182.A O no hydrogen 3.229 N/A TRP 187.A N ALA 183.A O no hydrogen 2.800 N/A TRP 187.A NE1 ASN 126.A OD1 no hydrogen 2.764 N/A GLY 188.A N GLY 184.A O no hydrogen 2.850 N/A ILE 189.A N GLY 184.A O no hydrogen 2.954 N/A ILE 192.A N LEU 143.A O no hydrogen 2.856 N/A PHE 194.A N ILE 192.A O no hydrogen 2.750 N/A ASN 195.A N THR 145.A OG1 no hydrogen 2.870 N/A ASN 195.A ND2 PRO 146.A O no hydrogen 2.878 N/A ALA 196.A N ASP 193.A O no hydrogen 2.931 N/A VAL 197.A N ASP 193.A O no hydrogen 3.027 N/A THR 198.A N PHE 194.A O no hydrogen 3.211 N/A THR 198.A OG1 PHE 194.A O no hydrogen 3.061 N/A GLY 199.A N ALA 196.A O no hydrogen 3.043 N/A GLN 205.A N VAL 202.A O no hydrogen 2.784 N/A GLN 205.A NE2 GLY 199.A O no hydrogen 2.938 N/A LEU 206.A N GLU 203.A O no hydrogen 3.011 N/A TYR 208.A N GLN 205.A O no hydrogen 3.091 N/A PHE 209.A N LEU 206.A O no hydrogen 2.941 N/A TYR 210.A N HIS 218.A O no hydrogen 2.884 N/A ASP 211.A N ASP 215.A O no hydrogen 3.023 N/A GLY 213.A N ASP 211.A OD1 no hydrogen 2.914 N/A TYR 214.A N ASP 211.A O no hydrogen 3.216 N/A TYR 214.A N ASP 211.A OD1 no hydrogen 2.966 N/A ASP 215.A N ASP 211.A O no hydrogen 2.755 N/A ARG 216.A N LEU 151.A O no hydrogen 2.774 N/A ARG 216.A NE ALA 212.A O no hydrogen 2.807 N/A ARG 216.A NH2 ALA 212.A O no hydrogen 3.052 N/A LEU 217.A N ASP 215.A OD1 no hydrogen 2.962 N/A HIS 218.A N ASP 215.A OD1 no hydrogen 2.953 N/A HIS 218.A ND1 ASP 215.A OD2 no hydrogen 2.722 N/A ASP 220.A N TYR 208.A O no hydrogen 2.864 N/A THR 221.A OG1 ASN 27.A O no hydrogen 3.537 N/A GLY 223.A N ASP 220.A OD1 no hydrogen 2.862 N/A GLN 224.A N ASP 220.A O no hydrogen 2.852 N/A GLN 224.A NE2 ILE 18.A O no hydrogen 3.177 N/A GLU 225.A N THR 221.A O no hydrogen 2.855 N/A ARG 226.A N LYS 222.A O no hydrogen 3.162 N/A ARG 226.A NE THR 198.A O no hydrogen 2.806 N/A ARG 226.A NH1 TYR 208.A OH no hydrogen 2.824 N/A ARG 226.A NH2 THR 198.A O no hydrogen 3.405 N/A ARG 228.A N GLU 225.A O no hydrogen 2.889 N/A ARG 228.A NH2 TYR 231.A OH no hydrogen 3.174 N/A THR 229.A N ARG 226.A O no hydrogen 2.919 N/A THR 229.A OG1 ARG 226.A O no hydrogen 2.742 N/A GLN 232.A N THR 229.A O no hydrogen 2.959 N/A LEU 233.A N LEU 230.A O no hydrogen 2.882 N/A LEU 234.A N TYR 231.A O no hydrogen 3.393 N/A LEU 236.A N LEU 233.A O no hydrogen 3.039 N/A