Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3dha_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 7.A N GLU 183.A O no hydrogen 2.834 N/A LYS 8.A N GLU 45.A O.A no hydrogen 2.845 N/A LYS 8.A N GLU 45.A O.B no hydrogen 2.862 N/A LYS 9.A N GLU 45.A O.A no hydrogen 3.400 N/A LYS 9.A N GLU 45.A O.B no hydrogen 3.404 N/A LEU 10.A N ILE 254.A O no hydrogen 3.029 N/A TYR 11.A N LEU 43.A O no hydrogen 2.845 N/A ILE 13.A N CYS 41.A O.A no hydrogen 2.881 N/A ILE 13.A N CYS 41.A O.B no hydrogen 2.904 N/A ALA 15.A N VAL 39.A O no hydrogen 2.908 N/A ARG 17.A N LYS 80.A O no hydrogen 2.975 N/A ARG 17.A NE ASN 36.A OD1 no hydrogen 2.818 N/A ARG 17.A NH1 ASN 36.A O no hydrogen 2.970 N/A ARG 17.A NH1 GLU 244.A OE2 no hydrogen 2.877 N/A ARG 17.A NH2 GLU 244.A OE1 no hydrogen 2.786 N/A ARG 17.A NH2 GLU 244.A OE2 no hydrogen 3.552 N/A CYS 18.A N LEU 37.A O no hydrogen 2.941 N/A CYS 18.A SG MET 19.A O.A no hydrogen 3.929 N/A CYS 18.A SG MET 19.A O.B no hydrogen 3.819 N/A MET 19.A N.A LEU 78.A O no hydrogen 2.830 N/A MET 19.A N.B LEU 78.A O no hydrogen 2.867 N/A LEU 20.A N.A LEU 35.A O no hydrogen 3.251 N/A LEU 20.A N.B LEU 35.A O no hydrogen 3.055 N/A HIS 22.A N LYS 33.A O no hydrogen 2.820 N/A HIS 22.A NE2 THR 30.A O no hydrogen 2.929 N/A SER 23.A N ASP 21.A OD2 no hydrogen 2.789 N/A SER 23.A OG ASP 21.A OD2 no hydrogen 2.613 N/A SER 24.A N ASP 21.A O no hydrogen 2.888 N/A VAL 25.A N HIS 22.A O no hydrogen 3.049 N/A ASN 26.A N HIS 22.A O no hydrogen 3.258 N/A SER 27.A N PRO 208.A O no hydrogen 2.917 N/A ALA 28.A N ASN 26.A OD1 no hydrogen 3.092 N/A LEU 29.A N ASN 26.A O no hydrogen 2.968 N/A GLY 32.A N ASP 21.A OD1 no hydrogen 2.757 N/A LEU 35.A N LEU 20.A O.A no hydrogen 2.852 N/A LEU 35.A N LEU 20.A O.B no hydrogen 2.762 N/A LEU 37.A N CYS 18.A O no hydrogen 2.878 N/A VAL 39.A N GLY 16.A O no hydrogen 3.071 N/A CYS 41.A N.A ILE 13.A O no hydrogen 3.014 N/A CYS 41.A N.B ILE 13.A O no hydrogen 2.971 N/A CYS 41.A SG.A ILE 13.A O no hydrogen 3.794 N/A CYS 41.A SG.B ASP 54.A O no hydrogen 3.413 N/A TYR 42.A N VAL 53.A O no hydrogen 2.995 N/A LEU 43.A N TYR 11.A O no hydrogen 2.975 N/A LEU 44.A N.A ILE 51.A O no hydrogen 2.818 N/A LEU 44.A N.B ILE 51.A O no hydrogen 2.846 N/A GLU 45.A N.A LYS 9.A O no hydrogen 2.916 N/A GLU 45.A N.B LYS 9.A O no hydrogen 2.892 N/A THR 46.A OG1 GLU 48.A OE1.A no hydrogen 3.336 N/A THR 46.A OG1 GLU 48.A OE2.B no hydrogen 3.447 N/A THR 46.A OG1 GLY 49.A O no hydrogen 2.675 N/A GLU 48.A N.A GLU 48.A OE1.A no hydrogen 2.777 N/A GLY 49.A N THR 46.A O no hydrogen 2.957 N/A ILE 51.A N LEU 44.A O.A no hydrogen 2.862 N/A ILE 51.A N LEU 44.A O.B no hydrogen 2.942 N/A LEU 52.A N TYR 103.A O no hydrogen 3.091 N/A VAL 53.A N TYR 42.A O no hydrogen 2.796 N/A ASP 54.A N ILE 105.A O no hydrogen 2.901 N/A THR 55.A N HIS 113.A O no hydrogen 2.946 N/A THR 55.A OG1 HIS 113.A O no hydrogen 3.465 N/A THR 55.A OG1 ASN 117.A OD1 no hydrogen 2.814 N/A SER 60.A OG GLU 144.A OE2 no hydrogen 2.945 N/A ALA 61.A N PRO 58.A O no hydrogen 2.929 N/A VAL 62.A N GLU 59.A O no hydrogen 3.047 N/A ASN 63.A N MET 81.A O no hydrogen 2.893 N/A ASN 64.A N ALA 61.A O no hydrogen 3.177 N/A LEU 67.A N ASN 64.A O no hydrogen 3.076 N/A ASN 69.A N GLY 66.A O no hydrogen 2.861 N/A GLY 70.A N GLU 74.A OE2 no hydrogen 2.783 N/A THR 71.A N PHE 68.A O no hydrogen 3.102 N/A THR 71.A OG1 PHE 68.A O no hydrogen 2.522 N/A GLU 74.A N THR 71.A O no hydrogen 3.059 N/A GLN 76.A N VAL 73.A O no hydrogen 2.893 N/A LEU 78.A N MET 19.A O.A no hydrogen 2.819 N/A LEU 78.A N MET 19.A O.B no hydrogen 3.053 N/A LYS 80.A N ARG 17.A O no hydrogen 2.800 N/A LYS 80.A NZ GLU 65.A OE2 no hydrogen 2.663 N/A THR 82.A N ASP 85.A OD2 no hydrogen 3.007 N/A THR 82.A OG1 GLU 84.A OE2 no hydrogen 3.316 N/A THR 82.A OG1 ASP 85.A OD2 no hydrogen 3.275 N/A ASP 85.A N THR 82.A O no hydrogen 2.947 N/A ARG 86.A N GLU 83.A O no hydrogen 3.304 N/A ARG 86.A NH1 GLU 83.A OE1 no hydrogen 3.043 N/A ILE 90.A N ARG 86.A O no hydrogen 2.949 N/A LEU 91.A N ILE 87.A O no hydrogen 2.860 N/A LYS 92.A N VAL 88.A O no hydrogen 2.982 N/A LYS 92.A NZ GLU 97.A OE2 no hydrogen 2.844 N/A ARG 93.A N ASN 89.A O no hydrogen 3.016 N/A ARG 93.A NH1 GLU 84.A O no hydrogen 2.908 N/A ARG 93.A NH2 GLU 84.A O no hydrogen 3.027 N/A VAL 94.A N ILE 90.A O no hydrogen 3.042 N/A GLY 95.A N LEU 91.A O no hydrogen 2.906 N/A TYR 96.A N LEU 91.A O no hydrogen 2.856 N/A TYR 96.A OH GLU 45.A OE1.A no hydrogen 2.269 N/A GLU 97.A N ASP 100.A OD2 no hydrogen 2.859 N/A ASP 100.A N GLU 97.A O no hydrogen 2.889 N/A LEU 101.A N.A PRO 98.A O no hydrogen 3.095 N/A LEU 101.A N.B PRO 98.A O no hydrogen 3.082 N/A LEU 102.A N PRO 50.A O no hydrogen 2.781 N/A ILE 104.A N PRO 124.A O no hydrogen 2.957 N/A ILE 105.A N LEU 52.A O no hydrogen 2.834 N/A SER 106.A N ILE 126.A O no hydrogen 2.954 N/A SER 107.A N ASP 54.A OD1 no hydrogen 2.802 N/A SER 107.A OG ASP 54.A OD1 no hydrogen 3.220 N/A SER 107.A OG ASP 54.A OD2 no hydrogen 2.722 N/A SER 107.A OG HIS 108.A ND1 no hydrogen 2.871 N/A SER 107.A OG HIS 113.A ND1 no hydrogen 3.411 N/A HIS 108.A ND1 SER 107.A OG no hydrogen 2.871 N/A LEU 109.A N GLU 131.A OE2 no hydrogen 2.868 N/A HIS 113.A N HIS 110.A O no hydrogen 2.935 N/A HIS 113.A ND1 ASP 54.A OD2 no hydrogen 2.782 N/A ALA 114.A N HIS 110.A O no hydrogen 3.019 N/A ASN 117.A N ALA 114.A O no hydrogen 3.023 N/A ASN 117.A ND2 SER 106.A OG no hydrogen 3.165 N/A ALA 119.A N GLY 116.A O no hydrogen 3.133 N/A PHE 120.A N ASN 117.A O no hydrogen 3.029 N/A ASN 122.A ND2 ASP 99.A OD1 no hydrogen 2.964 N/A ASN 122.A ND2 ASP 99.A OD2 no hydrogen 3.419 N/A THR 123.A OG1 PRO 98.A O no hydrogen 3.151 N/A ILE 125.A N ASN 151.A O no hydrogen 2.920 N/A ILE 126.A N ILE 104.A O no hydrogen 2.779 N/A VAL 127.A N LYS 153.A O no hydrogen 3.299 N/A GLN 128.A NE2 GLY 157.A O no hydrogen 2.839 N/A GLN 128.A NE2 GLN 178.A OE1 no hydrogen 2.880 N/A ARG 129.A N ILE 155.A O no hydrogen 2.816 N/A ARG 129.A NE GLU 156.A OE1 no hydrogen 2.756 N/A ARG 129.A NH1 GLU 156.A OE1 no hydrogen 2.839 N/A THR 130.A OG1 TYR 169.A OH no hydrogen 2.882 N/A THR 130.A OG1 PRO 175.A O no hydrogen 3.358 N/A TYR 132.A N GLN 128.A O no hydrogen 2.963 N/A GLU 133.A N ARG 129.A O no hydrogen 2.871 N/A ALA 134.A N THR 130.A O no hydrogen 3.203 N/A ALA 135.A N GLU 131.A O no hydrogen 2.956 N/A LEU 136.A N TYR 132.A O no hydrogen 2.947 N/A HIS 137.A N GLU 133.A O no hydrogen 3.221 N/A ARG 138.A N ALA 134.A O no hydrogen 2.932 N/A TYR 141.A N ARG 138.A O no hydrogen 3.219 N/A TYR 141.A OH GLU 131.A OE2 no hydrogen 2.683 N/A GLU 144.A N GLU 144.A OE1 no hydrogen 2.804 N/A CYS 145.A N MET 142.A O no hydrogen 2.955 N/A ILE 146.A N LYS 143.A O no hydrogen 3.090 N/A TYR 152.A N LEU 150.A O no hydrogen 2.978 N/A TYR 152.A OH LEU 147.A O no hydrogen 2.686 N/A LYS 153.A N ILE 125.A O no hydrogen 2.784 N/A ILE 155.A N VAL 127.A O no hydrogen 2.987 N/A GLY 157.A N GLN 128.A OE1 no hydrogen 2.930 N/A TYR 159.A N LEU 167.A O no hydrogen 3.110 N/A VAL 161.A N VAL 165.A O no hydrogen 2.884 N/A VAL 165.A N VAL 162.A O no hydrogen 2.933 N/A GLN 166.A N.A PHE 181.A O no hydrogen 2.891 N/A GLN 166.A N.B PHE 181.A O no hydrogen 2.978 N/A LEU 167.A N TYR 159.A O no hydrogen 2.767 N/A LEU 168.A N SER 179.A O no hydrogen 2.926 N/A TYR 169.A N ASP 158.A OD1 no hydrogen 2.832 N/A TYR 169.A OH THR 130.A OG1 no hydrogen 2.882 N/A TYR 169.A OH PRO 175.A O no hydrogen 3.353 N/A THR 170.A N HIS 177.A O no hydrogen 2.856 N/A THR 170.A OG1 LEU 168.A O no hydrogen 3.561 N/A THR 170.A OG1 HIS 177.A ND1 no hydrogen 2.904 N/A THR 170.A OG1 HIS 177.A O no hydrogen 3.449 N/A THR 170.A OG1 SER 179.A OG no hydrogen 2.889 N/A GLY 172.A N SER 174.A O no hydrogen 2.931 N/A HIS 173.A ND1 ALA 210.A O no hydrogen 2.851 N/A SER 174.A OG GLU 131.A OE1 no hydrogen 2.749 N/A SER 174.A OG GLU 131.A OE2 no hydrogen 3.466 N/A GLY 176.A N GLU 131.A OE1 no hydrogen 2.832 N/A HIS 177.A N SER 174.A O no hydrogen 3.436 N/A HIS 177.A ND1 THR 170.A OG1 no hydrogen 2.904 N/A GLN 178.A N SER 107.A O no hydrogen 2.949 N/A GLN 178.A NE2 SER 106.A O no hydrogen 2.901 N/A GLN 178.A NE2 ILE 126.A O no hydrogen 3.642 N/A SER 179.A N LEU 168.A O no hydrogen 2.874 N/A SER 179.A OG THR 170.A OG1 no hydrogen 2.889 N/A SER 179.A OG THR 193.A O no hydrogen 2.800 N/A LEU 180.A N LEU 192.A O no hydrogen 3.026 N/A PHE 181.A N GLN 166.A O.A no hydrogen 2.876 N/A PHE 181.A N GLN 166.A O.B no hydrogen 2.797 N/A ILE 182.A N VAL 190.A O no hydrogen 2.852 N/A GLU 183.A N GLY 164.A O no hydrogen 2.934 N/A THR 184.A N GLY 188.A O no hydrogen 2.873 N/A THR 184.A OG1 ILE 254.A OXT no hydrogen 2.614 N/A GLU 185.A N VAL 7.A O no hydrogen 2.831 N/A SER 187.A N THR 184.A OG1 no hydrogen 3.011 N/A SER 187.A OG ILE 254.A OXT no hydrogen 2.693 N/A GLY 188.A N THR 184.A O no hydrogen 2.953 N/A SER 189.A OG GLU 183.A OE1 no hydrogen 3.185 N/A SER 189.A OG GLU 183.A OE2 no hydrogen 2.660 N/A VAL 190.A N ILE 182.A O no hydrogen 2.762 N/A LEU 191.A N ILE 234.A O.A no hydrogen 2.844 N/A LEU 191.A N ILE 234.A O.B no hydrogen 2.814 N/A LEU 192.A N LEU 180.A O no hydrogen 2.867 N/A THR 193.A N PHE 236.A O no hydrogen 2.997 N/A THR 193.A OG1 ILE 194.A O no hydrogen 2.891 N/A THR 193.A OG1 SER 197.A O no hydrogen 3.358 N/A THR 193.A OG1 PHE 236.A O no hydrogen 3.331 N/A ASP 195.A N HIS 177.A NE2 no hydrogen 2.940 N/A ALA 196.A N THR 193.A O no hydrogen 3.179 N/A SER 197.A OG ALA 196.A O no hydrogen 2.845 N/A THR 199.A N ASN 202.A OD1 no hydrogen 2.867 N/A THR 199.A OG1 ASN 202.A OD1 no hydrogen 3.150 N/A LYS 200.A N ASP 240.A OD2 no hydrogen 2.954 N/A ASN 202.A N THR 199.A OG1 no hydrogen 3.382 N/A ASN 202.A ND2 VAL 25.A O no hydrogen 2.932 N/A ASN 202.A ND2 VAL 207.A O no hydrogen 2.895 N/A PHE 203.A N THR 199.A O no hydrogen 3.367 N/A PHE 203.A N LYS 200.A O no hydrogen 3.030 N/A GLU 204.A N LYS 200.A O no hydrogen 2.802 N/A ASP 205.A N GLU 201.A O no hydrogen 3.012 N/A VAL 207.A N GLU 201.A O no hydrogen 3.276 N/A ALA 210.A N SER 24.A O no hydrogen 2.945 N/A PHE 212.A N HIS 173.A O no hydrogen 2.982 N/A ASP 213.A N GLY 172.A O no hydrogen 2.859 N/A LEU 216.A N.A ASP 213.A OD2 no hydrogen 3.103 N/A LEU 216.A N.B ASP 213.A OD2 no hydrogen 3.079 N/A ALA 217.A N ASP 213.A O no hydrogen 2.895 N/A LEU 218.A N PRO 214.A O no hydrogen 2.990 N/A SER 219.A N GLU 215.A O no hydrogen 3.140 N/A SER 219.A OG LEU 216.A O.A no hydrogen 2.936 N/A SER 219.A OG LEU 216.A O.B no hydrogen 2.977 N/A SER 220.A N LEU 216.A O.A no hydrogen 2.833 N/A SER 220.A N LEU 216.A O.B no hydrogen 2.882 N/A SER 220.A OG PRO 171.A O no hydrogen 2.717 N/A SER 220.A OG LEU 216.A O.A no hydrogen 3.416 N/A SER 220.A OG LEU 216.A O.B no hydrogen 3.415 N/A ILE 221.A N ALA 217.A O no hydrogen 3.009 N/A LYS 222.A N LEU 218.A O no hydrogen 2.894 N/A ARG 223.A N SER 219.A O no hydrogen 2.987 N/A ARG 223.A NH1 ASP 158.A OD1 no hydrogen 3.558 N/A ARG 223.A NH1 ASP 158.A OD2 no hydrogen 2.741 N/A ARG 223.A NH2 ASP 158.A OD1 no hydrogen 2.822 N/A ARG 223.A NH2 TYR 169.A O no hydrogen 3.032 N/A LEU 224.A N SER 220.A O no hydrogen 2.936 N/A LYS 225.A N ILE 221.A O no hydrogen 2.791 N/A LYS 225.A NZ PHE 203.A O no hydrogen 2.966 N/A LYS 225.A NZ GLU 204.A O no hydrogen 3.294 N/A LYS 225.A NZ GLU 206.A OE2 no hydrogen 2.871 N/A GLU 226.A N LYS 222.A O no hydrogen 3.163 N/A VAL 227.A N ARG 223.A O no hydrogen 3.077 N/A VAL 228.A N LEU 224.A O no hydrogen 2.857 N/A LYS 229.A N LYS 225.A O no hydrogen 2.996 N/A LYS 229.A NZ GLU 226.A OE1 no hydrogen 2.907 N/A LYS 230.A N GLU 226.A O no hydrogen 3.266 N/A LYS 230.A N VAL 227.A O no hydrogen 3.155 N/A GLU 231.A N VAL 227.A O no hydrogen 2.880 N/A LYS 232.A N VAL 228.A O no hydrogen 2.774 N/A ILE 234.A N.A SER 189.A O no hydrogen 3.029 N/A ILE 234.A N.B SER 189.A O no hydrogen 3.039 N/A PHE 236.A N LEU 191.A O no hydrogen 2.939 N/A PHE 237.A N GLN 243.A OE1 no hydrogen 2.917 N/A GLY 238.A N SER 197.A O no hydrogen 3.131 N/A HIS 239.A N TYR 198.A O no hydrogen 2.821 N/A HIS 239.A ND1 PRO 38.A O no hydrogen 2.767 N/A GLN 243.A N ASP 240.A OD1 no hydrogen 2.979 N/A GLN 243.A NE2 ILE 235.A O no hydrogen 2.989 N/A GLU 244.A N ASP 240.A O no hydrogen 2.912 N/A LYS 245.A N GLU 242.A O no hydrogen 3.093 N/A LYS 245.A NZ GLU 242.A OE2 no hydrogen 3.180 N/A SER 246.A N GLN 243.A O no hydrogen 2.899 N/A SER 246.A OG GLN 243.A O no hydrogen 3.028 N/A CYS 247.A N.A GLN 243.A O no hydrogen 3.206 N/A CYS 247.A N.A GLU 244.A O no hydrogen 3.408 N/A CYS 247.A N.B GLN 243.A O no hydrogen 3.233 N/A CYS 247.A N.B GLU 244.A O no hydrogen 3.333 N/A CYS 247.A SG.A ARG 248.A O no hydrogen 3.667 N/A CYS 247.A SG.B GLN 243.A O no hydrogen 3.485 N/A PHE 250.A N PHE 12.A O no hydrogen 2.937 N/A GLU 252.A N VAL 249.A O no hydrogen 2.872 N/A ILE 254.A N LEU 10.A O no hydrogen 2.913 N/A