Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bo5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 6.A N VAL 15.A O no hydrogen 2.688 N/A ALA 7.A N ASP 5.A OD2 no hydrogen 2.844 N/A CYS 8.A N ASP 5.A O no hydrogen 2.971 N/A CYS 8.A SG GLN 3.A OE1 no hydrogen 3.623 N/A CYS 8.A SG VAL 6.A O no hydrogen 3.622 N/A GLY 9.A N ASP 5.A OD1 no hydrogen 2.797 N/A GLN 10.A N ALA 7.A O no hydrogen 2.831 N/A GLN 10.A NE2.A TYR 29.A O no hydrogen 3.455 N/A GLN 10.A NE2.B CYS 8.A O no hydrogen 2.741 N/A ASN 12.A ND2 LYS 106.A O no hydrogen 2.750 N/A ASN 12.A ND2 LEU 108.A O no hydrogen 2.857 N/A VAL 15.A N ASP 5.A OD2 no hydrogen 2.781 N/A GLY 16.A N PHE 112.A O no hydrogen 3.229 N/A TRP 18.A N VAL 114.A O no hydrogen 2.840 N/A ALA 22.A N PRO 19.A O no hydrogen 2.912 N/A GLN 28.A N TYR 180.A O no hydrogen 2.833 N/A TYR 29.A OH GLU 11.A OE1 no hydrogen 2.512 N/A THR 30.A N GLY 182.A O no hydrogen 2.916 N/A THR 30.A OG1 ASP 32.A O no hydrogen 2.634 N/A ASP 32.A N THR 30.A OG1 no hydrogen 3.131 N/A HIS 33.A NE2 PRO 208.A O no hydrogen 2.879 N/A VAL 34.A N GLY 141.A O no hydrogen 2.977 N/A ALA 39.A N GLY 36.A O no hydrogen 3.127 N/A THR 44.A N ASP 42.A OD1 no hydrogen 2.853 N/A THR 44.A OG1 ASP 42.A OD1 no hydrogen 2.667 N/A THR 44.A OG1 ASP 42.A OD2 no hydrogen 3.433 N/A GLN 45.A N ASP 42.A O no hydrogen 2.994 N/A THR 47.A N ASP 204.A O no hydrogen 2.721 N/A PHE 48.A N ASP 204.A O no hydrogen 3.253 N/A CYS 53.A SG THR 62.A O no hydrogen 3.856 N/A THR 62.A N LEU 59.A O no hydrogen 3.116 N/A THR 62.A OG1 LEU 59.A O no hydrogen 3.311 N/A CYS 63.A N LEU 59.A O no hydrogen 2.970 N/A LEU 66.A N CYS 63.A O no hydrogen 2.952 N/A GLY 69.A N LEU 66.A O no hydrogen 3.268 N/A ASN 71.A ND2 PHE 87.A O no hydrogen 3.234 N/A ASN 71.A ND2 ASN 101.A OD1 no hydrogen 2.873 N/A TYR 72.A OH GLU 88.A OE2 no hydrogen 2.601 N/A ASP 73.A N CYS 77.A O no hydrogen 2.871 N/A ASN 75.A N ASP 73.A OD1 no hydrogen 2.757 N/A SER 76.A N ASP 73.A O no hydrogen 2.976 N/A CYS 77.A N ASP 73.A OD1 no hydrogen 2.899 N/A CYS 77.A SG ASN 75.A O no hydrogen 4.018 N/A CYS 77.A SG LYS 132.A O no hydrogen 3.442 N/A LEU 78.A N GLY 133.A O no hydrogen 2.840 N/A ARG 79.A N ASN 71.A O no hydrogen 2.841 N/A ARG 79.A NE TYR 72.A O no hydrogen 3.179 N/A ALA 83.A N SER 238.A OG no hydrogen 2.898 N/A GLU 88.A N ARG 202.A O no hydrogen 2.836 N/A CYS 89.A N ASN 101.A O no hydrogen 2.983 N/A ASN 90.A ND2 PHE 48.A O no hydrogen 3.001 N/A ASN 90.A ND2 ILE 203.A O no hydrogen 3.080 N/A VAL 91.A N ASP 204.A OD1 no hydrogen 3.048 N/A LEU 92.A N ASN 90.A OD1 no hydrogen 2.783 N/A CYS 93.A N ASN 90.A O no hydrogen 3.210 N/A CYS 93.A N ASN 90.A OD1 no hydrogen 3.298 N/A CYS 93.A SG ASN 90.A OD1 no hydrogen 3.638 N/A HIS 98.A N SER 96.A OG no hydrogen 2.944 N/A CYS 99.A N SER 96.A O no hydrogen 2.971 N/A ASN 101.A ND2 PHE 87.A O no hydrogen 2.919 N/A ARG 102.A N CYS 99.A O no hydrogen 3.119 N/A ARG 102.A NE SER 96.A O no hydrogen 2.989 N/A ARG 102.A NH1 ASN 90.A O no hydrogen 3.071 N/A ARG 102.A NH1 GLN 105.A OE1 no hydrogen 2.898 N/A ARG 102.A NH2 ASN 90.A O no hydrogen 3.280 N/A ARG 102.A NH2 CYS 93.A O no hydrogen 3.300 N/A ARG 102.A NH2 CYS 95.A O no hydrogen 3.132 N/A VAL 103.A N GLU 88.A OE1 no hydrogen 3.007 N/A VAL 104.A N GLU 88.A OE2 no hydrogen 2.658 N/A GLN 105.A N GLU 88.A OE1 no hydrogen 3.185 N/A GLN 105.A NE2 GLU 88.A OE1 no hydrogen 2.846 N/A GLN 105.A NE2 CYS 89.A O no hydrogen 2.639 N/A LYS 106.A N VAL 103.A O no hydrogen 2.937 N/A LYS 106.A NZ.A ASP 97.A O no hydrogen 2.803 N/A LYS 106.A NZ.A ASP 97.A OD2.B no hydrogen 3.126 N/A LYS 106.A NZ.B ASP 97.A O no hydrogen 2.574 N/A GLY 107.A N VAL 104.A O no hydrogen 3.056 N/A GLN 109.A NE2 GLY 107.A O no hydrogen 3.388 N/A HIS 111.A N GLU 128.A OE1 no hydrogen 2.741 N/A HIS 111.A ND1 GLU 128.A OE1 no hydrogen 2.742 N/A GLN 113.A N ARG 125.A O no hydrogen 2.897 N/A VAL 114.A N GLY 16.A O no hydrogen 2.728 N/A PHE 115.A N GLY 123.A O no hydrogen 2.831 N/A LYS 116.A N TRP 18.A O no hydrogen 2.977 N/A THR 117.A N GLY 121.A O no hydrogen 2.936 N/A THR 117.A OG1 GLY 121.A O no hydrogen 2.631 N/A LYS 120.A N THR 117.A OG1 no hydrogen 2.875 N/A LYS 120.A NZ GLU 223.A OE1 no hydrogen 2.792 N/A LYS 120.A NZ GLU 223.A OE2 no hydrogen 3.500 N/A GLY 123.A N PHE 115.A O no hydrogen 2.853 N/A ARG 125.A N GLN 113.A O no hydrogen 2.858 N/A ARG 125.A NE GLN 113.A OE1 no hydrogen 2.746 N/A ARG 125.A NH2 GLN 113.A OE1 no hydrogen 2.806 N/A THR 126.A N GLU 222.A O no hydrogen 3.149 N/A THR 126.A OG1 GLU 128.A O no hydrogen 2.684 N/A LEU 127.A N HIS 111.A O no hydrogen 2.839 N/A GLU 128.A N THR 126.A OG1 no hydrogen 3.069 N/A ILE 130.A N ILE 218.A O no hydrogen 2.807 N/A LYS 132.A N ASP 217.A OD1 no hydrogen 2.801 N/A GLY 133.A N ALA 214.A O no hydrogen 2.703 N/A ARG 134.A N PRO 131.A O no hydrogen 3.096 N/A VAL 136.A N LEU 212.A O no hydrogen 2.808 N/A CYS 137.A N LEU 212.A O no hydrogen 3.349 N/A CYS 137.A SG GLU 138.A O no hydrogen 3.612 N/A TYR 139.A N LEU 210.A O no hydrogen 2.804 N/A TYR 139.A OH TYR 163.A O no hydrogen 2.577 N/A ALA 140.A N ASN 183.A OD1 no hydrogen 2.974 N/A GLY 141.A N HIS 33.A ND1 no hydrogen 3.437 N/A GLU 142.A N ASP 177.A O no hydrogen 2.895 N/A VAL 143.A N VAL 34.A O no hydrogen 2.845 N/A LEU 144.A N PHE 175.A O no hydrogen 2.959 N/A GLY 145.A N PRO 37.A O no hydrogen 2.968 N/A VAL 149.A N GLY 145.A O no hydrogen 2.898 N/A GLN 150.A N PHE 146.A O no hydrogen 2.938 N/A ARG 151.A N SER 147.A O no hydrogen 2.873 N/A ARG 151.A NE GLU 148.A OE1 no hydrogen 3.024 N/A ARG 151.A NH2 GLU 148.A OE2 no hydrogen 2.893 N/A ARG 152.A N GLU 148.A O no hydrogen 2.950 N/A ARG 152.A NE GLU 148.A OE2 no hydrogen 2.799 N/A ARG 152.A NH1 GLU 142.A OE1 no hydrogen 2.875 N/A ARG 152.A NH1 ASP 177.A OD2 no hydrogen 2.734 N/A ARG 152.A NH2 GLU 142.A OE1 no hydrogen 3.340 N/A ARG 152.A NH2 GLU 142.A OE2 no hydrogen 3.121 N/A ARG 152.A NH2 GLU 148.A OE2 no hydrogen 3.411 N/A ILE 153.A N VAL 149.A O no hydrogen 2.851 N/A HIS 154.A N GLN 150.A O no hydrogen 3.177 N/A LEU 155.A N ARG 152.A O no hydrogen 3.150 N/A GLN 156.A N ILE 153.A O no hydrogen 2.982 N/A THR 157.A N ASP 160.A OD2 no hydrogen 2.677 N/A ILE 165.A N VAL 176.A O no hydrogen 2.961 N/A ALA 166.A N GLU 242.A O no hydrogen 2.752 N/A ILE 167.A N THR 174.A O no hydrogen 2.794 N/A ARG 168.A N SER 240.A O no hydrogen 2.907 N/A ARG 168.A NE GLU 173.A OE2 no hydrogen 2.461 N/A GLU 169.A N MET 172.A O no hydrogen 2.853 N/A HIS 170.A N SER 238.A O no hydrogen 2.540 N/A MET 172.A N GLU 169.A O no hydrogen 2.831 N/A THR 174.A N ILE 167.A O no hydrogen 2.868 N/A VAL 176.A N ILE 165.A O no hydrogen 2.940 N/A ASP 177.A N GLU 142.A O no hydrogen 2.739 N/A THR 179.A N ASP 177.A OD1 no hydrogen 2.933 N/A THR 179.A OG1 ASP 177.A OD1 no hydrogen 2.543 N/A GLY 182.A N GLN 28.A O no hydrogen 2.998 N/A ASN 183.A N ALA 140.A O no hydrogen 3.007 N/A ASN 183.A ND2 GLU 138.A O no hydrogen 2.816 N/A ILE 184.A N TYR 29.A OH no hydrogen 3.016 N/A GLY 185.A N ASN 183.A OD1 no hydrogen 2.973 N/A ARG 186.A N ASN 183.A O no hydrogen 3.240 N/A ARG 186.A NE PRO 178.A O no hydrogen 2.898 N/A ARG 186.A NH2 THR 179.A O no hydrogen 2.830 N/A PHE 187.A N ILE 184.A O no hydrogen 2.971 N/A LEU 188.A N GLY 185.A O no hydrogen 3.052 N/A ASN 189.A ND2 TRP 122.A O no hydrogen 3.121 N/A ASN 189.A ND2 GLU 223.A OE2 no hydrogen 2.890 N/A SER 191.A N TYR 226.A O no hydrogen 3.108 N/A CYS 192.A SG HIS 190.A NE2 no hydrogen 3.470 N/A GLU 193.A N SER 191.A OG no hydrogen 2.949 N/A ASN 195.A N SER 225.A OG no hydrogen 3.314 N/A ASN 195.A ND2 GLU 222.A OE2 no hydrogen 2.938 N/A ASN 195.A ND2 GLU 223.A O no hydrogen 2.844 N/A LEU 196.A N SER 225.A O no hydrogen 2.974 N/A LEU 197.A N PHE 213.A O no hydrogen 2.887 N/A ILE 199.A N ALA 211.A O no hydrogen 2.834 N/A VAL 201.A N LYS 209.A O no hydrogen 2.733 N/A ARG 202.A N VAL 86.A O no hydrogen 2.879 N/A ARG 202.A NE MET 206.A O no hydrogen 2.915 N/A ARG 202.A NH1 GLU 169.A OE1 no hydrogen 3.470 N/A ARG 202.A NH1 GLU 169.A OE2 no hydrogen 2.844 N/A ARG 202.A NH2 GLU 169.A OE1 no hydrogen 2.783 N/A ARG 202.A NH2 MET 206.A O no hydrogen 3.375 N/A MET 206.A N THR 47.A OG1 no hydrogen 3.088 N/A VAL 207.A N SER 205.A OG no hydrogen 2.948 N/A LYS 209.A N VAL 201.A O no hydrogen 2.744 N/A ALA 211.A N ILE 199.A O no hydrogen 2.964 N/A LEU 212.A N CYS 137.A O no hydrogen 2.784 N/A PHE 213.A N LEU 197.A O no hydrogen 2.905 N/A ALA 214.A N ARG 134.A O no hydrogen 2.822 N/A ALA 215.A N ASN 195.A O no hydrogen 2.756 N/A ILE 218.A N ILE 130.A O no hydrogen 2.924 N/A VAL 219.A N GLU 222.A OE1 no hydrogen 2.960 N/A GLU 221.A N THR 126.A O no hydrogen 2.592 N/A GLU 222.A N VAL 219.A O no hydrogen 2.984 N/A LEU 224.A N LEU 124.A O no hydrogen 2.737 N/A SER 225.A N ASN 195.A OD1 no hydrogen 2.885 N/A SER 225.A OG ASN 195.A OD1 no hydrogen 3.560 N/A TYR 226.A N ASN 189.A O no hydrogen 3.154 N/A TYR 228.A N HIS 190.A ND1 no hydrogen 2.825 N/A TYR 228.A OH LEU 188.A O no hydrogen 2.700 N/A SER 229.A N ASP 227.A OD1 no hydrogen 2.798 N/A SER 229.A OG ASP 227.A OD1 no hydrogen 2.679 N/A SER 229.A OG ASP 227.A OD2 no hydrogen 3.068 N/A GLY 230.A N ASP 227.A O no hydrogen 2.833 N/A ARG 231.A N SER 229.A OG no hydrogen 3.184 N/A ARG 231.A NE SER 229.A OG no hydrogen 2.870 N/A TYR 232.A N ASP 227.A OD2 no hydrogen 2.860 N/A ASN 234.A N ARG 231.A O no hydrogen 2.883 N/A ASN 234.A ND2 GLY 230.A O no hydrogen 2.980 N/A ASN 234.A ND2 ALA 239.A O no hydrogen 2.838 N/A VAL 237.A N LYS 81.A O no hydrogen 2.921 N/A SER 240.A N ARG 168.A O no hydrogen 2.857 N/A LYS 241.A NZ.B MET 198.A O no hydrogen 2.643 N/A GLU 242.A N ALA 166.A O no hydrogen 2.843 N/A ARG 243.A N TYR 228.A O no hydrogen 2.904 N/A ARG 243.A NH1 TYR 226.A OH no hydrogen 2.861 N/A ARG 243.A NH2 ASN 162.A O no hydrogen 2.701 N/A LEU 244.A N ILE 164.A O no hydrogen 2.872 N/A ASP 245.A N ASP 267.A O no hydrogen 2.911 N/A HIS 246.A ND1 SER 269.A O no hydrogen 2.816 N/A GLY 247.A N SER 269.A OXT no hydrogen 2.776 N/A LYS 251.A NZ ASP 160.A O no hydrogen 3.381 N/A LYS 251.A NZ ASN 162.A OD1 no hydrogen 3.095 N/A CYS 253.A N ALA 262.A O no hydrogen 3.000 N/A SER 259.A N GLU 193.A OE2 no hydrogen 2.934 N/A SER 259.A OG GLU 193.A OE2 no hydrogen 2.687 N/A CYS 260.A N ALA 257.A O no hydrogen 2.913 N/A CYS 260.A SG CYS 253.A O no hydrogen 3.925 N/A PHE 263.A N THR 261.A OG1 no hydrogen 3.288 N/A LEU 264.A N LYS 251.A O no hydrogen 2.749 N/A PHE 266.A N LEU 264.A O no hydrogen 2.891 N/A ASP 267.A N ARG 243.A O no hydrogen 2.868 N/A SER 268.A OG ASP 245.A OD1 no hydrogen 2.720 N/A SER 268.A OG GLY 247.A O no hydrogen 3.427 N/A SER 269.A N ASP 245.A O no hydrogen 2.927 N/A