Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8xbg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 2.A SG GLU 259.A OE2 no hydrogen 3.065 N/A MET 4.A N CYS 2.A O no hydrogen 3.124 N/A LYS 7.A N ASP 5.A OD1 no hydrogen 2.940 N/A LYS 7.A NZ ASP 5.A OD1 no hydrogen 3.274 N/A LYS 7.A NZ ASP 5.A OD2 no hydrogen 3.143 N/A SER 10.A N GLU 6.A O no hydrogen 2.928 N/A SER 10.A OG HIS 70.A O no hydrogen 2.198 N/A THR 11.A N LYS 7.A O no hydrogen 2.925 N/A THR 11.A OG1 LYS 7.A O no hydrogen 3.392 N/A THR 11.A OG1 LEU 8.A O no hydrogen 2.650 N/A VAL 12.A N LEU 8.A O no hydrogen 2.952 N/A LEU 13.A N LEU 9.A O no hydrogen 2.937 N/A THR 14.A N SER 10.A O no hydrogen 2.900 N/A THR 14.A OG1 SER 10.A O no hydrogen 2.809 N/A THR 15.A N THR 11.A O no hydrogen 2.969 N/A THR 15.A OG1 THR 11.A O no hydrogen 3.162 N/A SER 16.A N VAL 12.A O no hydrogen 2.922 N/A SER 16.A OG VAL 12.A O no hydrogen 3.342 N/A TYR 17.A N LEU 13.A O no hydrogen 2.919 N/A SER 18.A N THR 14.A O no hydrogen 2.918 N/A SER 18.A OG THR 14.A O no hydrogen 2.631 N/A VAL 19.A N THR 15.A O no hydrogen 2.944 N/A ILE 20.A N SER 16.A O no hydrogen 2.906 N/A PHE 21.A N TYR 17.A O no hydrogen 2.812 N/A ILE 22.A N SER 18.A O no hydrogen 2.976 N/A VAL 23.A N VAL 19.A O no hydrogen 2.948 N/A GLY 24.A N ILE 20.A O no hydrogen 2.839 N/A LEU 25.A N PHE 21.A O no hydrogen 2.881 N/A VAL 26.A N ILE 22.A O no hydrogen 3.029 N/A GLY 27.A N VAL 23.A O no hydrogen 2.906 N/A ASN 28.A N GLY 24.A O no hydrogen 2.845 N/A ASN 28.A ND2 GLY 24.A O no hydrogen 2.402 N/A ILE 29.A N LEU 25.A O no hydrogen 2.956 N/A ILE 30.A N VAL 26.A O no hydrogen 2.974 N/A ALA 31.A N GLY 27.A O no hydrogen 2.869 N/A LEU 32.A N ASN 28.A O no hydrogen 2.849 N/A TYR 33.A N ILE 29.A O no hydrogen 2.944 N/A VAL 34.A N ILE 30.A O no hydrogen 2.905 N/A PHE 35.A N ALA 31.A O no hydrogen 2.908 N/A PHE 35.A N LEU 32.A O no hydrogen 3.223 N/A LEU 36.A N LEU 32.A O no hydrogen 2.929 N/A GLY 37.A N TYR 33.A O no hydrogen 2.523 N/A HIS 39.A ND1 VAL 34.A O no hydrogen 2.705 N/A SER 44.A N ASN 43.A OD1 no hydrogen 2.417 N/A SER 44.A OG ASN 43.A OD1 no hydrogen 3.422 N/A ILE 47.A N ASN 43.A O no hydrogen 2.745 N/A TYR 48.A N SER 44.A O no hydrogen 2.928 N/A LEU 49.A N ILE 45.A O no hydrogen 2.895 N/A LEU 50.A N GLN 46.A O no hydrogen 2.897 N/A ASN 51.A N ILE 47.A O no hydrogen 2.958 N/A VAL 52.A N TYR 48.A O no hydrogen 2.942 N/A ALA 53.A N LEU 49.A O no hydrogen 2.883 N/A ILE 54.A N LEU 50.A O no hydrogen 2.926 N/A ALA 55.A N ASN 51.A O no hydrogen 2.954 N/A ASP 56.A N VAL 52.A O no hydrogen 2.914 N/A LEU 57.A N ALA 53.A O no hydrogen 2.841 N/A LEU 58.A N ILE 54.A O no hydrogen 2.973 N/A LEU 59.A N ALA 55.A O no hydrogen 2.969 N/A ILE 60.A N ASP 56.A O no hydrogen 2.903 N/A PHE 61.A N LEU 57.A O no hydrogen 2.906 N/A CYS 62.A N LEU 58.A O no hydrogen 2.868 N/A CYS 62.A SG LEU 58.A O no hydrogen 3.629 N/A LEU 63.A N LEU 59.A O no hydrogen 3.071 N/A ARG 66.A NH2 GLU 266.A OE1 no hydrogen 3.479 N/A ARG 66.A NH2 GLU 266.A OE2 no hydrogen 3.344 N/A ILE 67.A N LEU 63.A O no hydrogen 2.996 N/A MET 68.A N PRO 64.A O no hydrogen 2.910 N/A TYR 69.A N PHE 65.A O no hydrogen 2.970 N/A HIS 70.A N ARG 66.A O no hydrogen 2.928 N/A ILE 71.A N ILE 67.A O no hydrogen 2.879 N/A ASN 72.A N MET 68.A O no hydrogen 2.948 N/A TRP 76.A N THR 158.A O no hydrogen 2.829 N/A TRP 76.A NE1 GLY 79.A O no hydrogen 2.996 N/A CYS 83.A N GLY 79.A O no hydrogen 3.352 N/A LYS 84.A N VAL 80.A O no hydrogen 2.947 N/A VAL 85.A N ILE 81.A O no hydrogen 2.913 N/A VAL 86.A N LEU 82.A O no hydrogen 2.924 N/A GLY 87.A N CYS 83.A O no hydrogen 2.917 N/A THR 88.A N LYS 84.A O no hydrogen 2.938 N/A THR 88.A N VAL 85.A O no hydrogen 3.364 N/A THR 88.A OG1 LYS 84.A O no hydrogen 2.368 N/A THR 88.A OG1 VAL 85.A O no hydrogen 2.972 N/A LEU 89.A N VAL 85.A O no hydrogen 2.891 N/A PHE 90.A N VAL 86.A O no hydrogen 3.005 N/A TYR 91.A OH TYR 238.A OH no hydrogen 2.797 N/A MET 92.A N THR 88.A O no hydrogen 2.930 N/A ASN 93.A N LEU 89.A O no hydrogen 2.903 N/A MET 94.A N PHE 90.A O no hydrogen 3.022 N/A TYR 95.A N TYR 91.A O no hydrogen 2.923 N/A ILE 96.A N MET 92.A O no hydrogen 2.903 N/A SER 97.A N ASN 93.A O no hydrogen 2.876 N/A SER 97.A OG ASP 56.A OD1 no hydrogen 2.516 N/A SER 97.A OG ASN 93.A O no hydrogen 3.443 N/A ILE 98.A N MET 94.A O no hydrogen 3.002 N/A ILE 99.A N TYR 95.A O no hydrogen 2.943 N/A LEU 100.A N ILE 96.A O no hydrogen 2.883 N/A LEU 101.A N SER 97.A O no hydrogen 2.889 N/A GLY 102.A N ILE 98.A O no hydrogen 3.042 N/A PHE 103.A N ILE 99.A O no hydrogen 2.959 N/A ILE 104.A N LEU 100.A O no hydrogen 2.877 N/A SER 105.A N LEU 101.A O no hydrogen 2.988 N/A SER 105.A OG LEU 101.A O no hydrogen 3.510 N/A LEU 106.A N GLY 102.A O no hydrogen 2.967 N/A ASP 107.A N PHE 103.A O no hydrogen 2.972 N/A ARG 108.A N ILE 104.A O no hydrogen 2.983 N/A TYR 109.A N SER 105.A O no hydrogen 2.967 N/A ILE 110.A N LEU 106.A O no hydrogen 2.967 N/A LYS 111.A N ASP 107.A O no hydrogen 2.852 N/A LYS 111.A N ARG 108.A O no hydrogen 3.206 N/A ILE 112.A N ARG 108.A O no hydrogen 2.917 N/A SER 115.A OG LYS 111.A O no hydrogen 2.294 N/A THR 123.A OG1 ASN 43.A OD1 no hydrogen 3.267 N/A GLN 126.A N GLN 126.A OE1 no hydrogen 2.641 N/A SER 127.A N THR 123.A O no hydrogen 3.036 N/A SER 127.A OG SER 44.A O no hydrogen 3.155 N/A ILE 128.A N THR 124.A O no hydrogen 2.910 N/A TYR 129.A N LYS 125.A O no hydrogen 2.966 N/A VAL 130.A N GLN 126.A O no hydrogen 2.853 N/A CYS 131.A N SER 127.A O no hydrogen 2.911 N/A CYS 131.A SG ASN 51.A OD1 no hydrogen 2.898 N/A CYS 131.A SG SER 127.A O no hydrogen 3.321 N/A CYS 132.A N ILE 128.A O no hydrogen 2.934 N/A CYS 132.A SG ILE 128.A O no hydrogen 3.282 N/A ILE 133.A N TYR 129.A O no hydrogen 2.875 N/A VAL 134.A N VAL 130.A O no hydrogen 2.906 N/A TRP 135.A N CYS 131.A O no hydrogen 2.898 N/A MET 136.A N CYS 132.A O no hydrogen 2.915 N/A LEU 137.A N ILE 133.A O no hydrogen 2.899 N/A ALA 138.A N VAL 134.A O no hydrogen 2.898 N/A LEU 139.A N TRP 135.A O no hydrogen 2.905 N/A GLY 140.A N MET 136.A O no hydrogen 2.922 N/A GLY 141.A N LEU 137.A O no hydrogen 2.917 N/A PHE 142.A N ALA 138.A O no hydrogen 2.906 N/A LEU 143.A N LEU 139.A O no hydrogen 2.919 N/A THR 144.A N GLY 140.A O no hydrogen 2.878 N/A THR 144.A OG1 GLY 140.A O no hydrogen 3.002 N/A MET 145.A N GLY 141.A O no hydrogen 2.953 N/A ILE 146.A N PHE 142.A O no hydrogen 2.922 N/A ILE 147.A N LEU 143.A O no hydrogen 2.900 N/A LEU 148.A N THR 144.A O no hydrogen 2.917 N/A THR 149.A N MET 145.A O no hydrogen 2.925 N/A THR 149.A OG1 MET 145.A O no hydrogen 2.933 N/A THR 149.A OG1 GLU 172.A OE2 no hydrogen 3.123 N/A LEU 150.A N ILE 146.A O no hydrogen 2.911 N/A LYS 151.A N ILE 147.A O no hydrogen 3.515 N/A GLY 153.A N THR 149.A O no hydrogen 3.429 N/A THR 158.A OG1 TRP 76.A O no hydrogen 3.338 N/A HIS 162.A ND1 TYR 163.A O no hydrogen 3.093 N/A ARG 164.A NH2 MET 159.A O no hydrogen 2.257 N/A LYS 166.A N GLN 249.A O no hydrogen 3.314 N/A ALA 169.A N LYS 166.A O no hydrogen 3.095 N/A ILE 174.A N LYS 170.A O no hydrogen 2.977 N/A PHE 175.A N GLY 171.A O no hydrogen 2.836 N/A ASN 176.A N GLU 172.A O no hydrogen 2.875 N/A PHE 177.A N ALA 173.A O no hydrogen 2.952 N/A ILE 178.A N ILE 174.A O no hydrogen 2.922 N/A LEU 179.A N PHE 175.A O no hydrogen 2.892 N/A VAL 180.A N ASN 176.A O no hydrogen 2.885 N/A VAL 181.A N PHE 177.A O no hydrogen 2.976 N/A MET 182.A N ILE 178.A O no hydrogen 2.963 N/A PHE 183.A N LEU 179.A O no hydrogen 2.873 N/A TRP 184.A N VAL 180.A O no hydrogen 2.955 N/A TRP 184.A NE1 HIS 239.A O no hydrogen 3.044 N/A LEU 185.A N VAL 181.A O no hydrogen 2.998 N/A ILE 186.A N MET 182.A O no hydrogen 2.875 N/A PHE 187.A N PHE 183.A O no hydrogen 2.876 N/A LEU 188.A N TRP 184.A O no hydrogen 2.898 N/A LEU 189.A N LEU 185.A O no hydrogen 3.004 N/A ILE 190.A N ILE 186.A O no hydrogen 2.883 N/A ILE 191.A N PHE 187.A O no hydrogen 2.877 N/A LEU 192.A N LEU 188.A O no hydrogen 2.957 N/A SER 193.A N LEU 189.A O no hydrogen 2.935 N/A SER 193.A OG SER 105.A O no hydrogen 2.515 N/A TYR 194.A N ILE 190.A O no hydrogen 2.912 N/A ILE 195.A N ILE 191.A O no hydrogen 2.951 N/A LYS 196.A N LEU 192.A O no hydrogen 2.947 N/A ILE 197.A N SER 193.A O no hydrogen 2.966 N/A GLY 198.A N TYR 194.A O no hydrogen 2.961 N/A LYS 199.A N ILE 195.A O no hydrogen 2.913 N/A ASN 200.A N LYS 196.A O no hydrogen 2.920 N/A LEU 201.A N ILE 197.A O no hydrogen 2.959 N/A LEU 202.A N GLY 198.A O no hydrogen 2.878 N/A ARG 203.A N LYS 199.A O no hydrogen 2.954 N/A ILE 204.A N ASN 200.A O no hydrogen 2.969 N/A SER 205.A N LEU 201.A O no hydrogen 2.892 N/A LYS 206.A N LEU 202.A O no hydrogen 2.892 N/A ARG 207.A N ARG 203.A O no hydrogen 2.997 N/A ARG 208.A N ILE 204.A O no hydrogen 3.041 N/A SER 214.A OG LYS 210.A O no hydrogen 2.213 N/A SER 214.A OG PHE 211.A O no hydrogen 2.802 N/A SER 214.A OG PRO 212.A O no hydrogen 3.353 N/A LYS 216.A NZ ASN 213.A O no hydrogen 2.458 N/A LYS 216.A NZ ASN 213.A OD1 no hydrogen 2.377 N/A THR 219.A N GLY 215.A O no hydrogen 3.286 N/A THR 220.A N LYS 216.A O no hydrogen 2.940 N/A THR 220.A OG1 LYS 216.A O no hydrogen 2.927 N/A ALA 221.A N TYR 217.A O no hydrogen 2.859 N/A ARG 222.A N ALA 218.A O no hydrogen 2.931 N/A ASN 223.A N THR 219.A O no hydrogen 2.899 N/A SER 224.A N THR 220.A O no hydrogen 2.963 N/A SER 224.A OG TYR 194.A O no hydrogen 2.702 N/A ILE 226.A N ARG 222.A O no hydrogen 2.804 N/A VAL 227.A N ASN 223.A O no hydrogen 2.978 N/A LEU 228.A N SER 224.A O no hydrogen 3.015 N/A ILE 229.A N PHE 225.A O no hydrogen 2.871 N/A ILE 230.A N ILE 226.A O no hydrogen 2.877 N/A PHE 231.A N VAL 227.A O no hydrogen 2.966 N/A THR 232.A N LEU 228.A O no hydrogen 2.910 N/A THR 232.A OG1 LEU 228.A O no hydrogen 2.584 N/A ILE 233.A N ILE 229.A O no hydrogen 2.865 N/A CYS 234.A N ILE 230.A O no hydrogen 2.934 N/A VAL 236.A N THR 232.A O no hydrogen 3.194 N/A TYR 238.A OH TYR 91.A OH no hydrogen 2.797 N/A HIS 239.A N PHE 235.A O no hydrogen 3.336 N/A HIS 239.A ND1 PHE 235.A O no hydrogen 3.134 N/A ALA 240.A N VAL 236.A O no hydrogen 2.858 N/A ALA 240.A N PRO 237.A O no hydrogen 3.185 N/A PHE 241.A N PRO 237.A O no hydrogen 2.956 N/A ARG 242.A N TYR 238.A O no hydrogen 2.933 N/A TYR 245.A N PHE 241.A O no hydrogen 2.915 N/A ILE 246.A N ARG 242.A O no hydrogen 2.904 N/A SER 247.A N PHE 243.A O no hydrogen 2.925 N/A SER 248.A N ILE 244.A O no hydrogen 2.887 N/A SER 248.A OG ILE 244.A O no hydrogen 3.109 N/A SER 248.A OG TYR 245.A O no hydrogen 2.865 N/A GLN 249.A N TYR 245.A O no hydrogen 2.918 N/A GLN 249.A NE2 ARG 164.A O no hydrogen 2.451 N/A CYS 255.A SG GLU 259.A OE2 no hydrogen 3.611 N/A LYS 258.A NZ SER 253.A OG no hydrogen 2.862 N/A GLU 259.A N CYS 255.A O no hydrogen 2.997 N/A GLU 259.A N GLU 259.A OE1 no hydrogen 2.857 N/A VAL 261.A N TRP 257.A O no hydrogen 2.956 N/A HIS 262.A N LYS 258.A O no hydrogen 2.889 N/A LYS 263.A N GLU 259.A O no hydrogen 2.925 N/A THR 264.A N ILE 260.A O no hydrogen 2.907 N/A THR 264.A OG1 ILE 260.A O no hydrogen 2.452 N/A ASN 265.A N VAL 261.A O no hydrogen 2.978 N/A ASN 265.A ND2 TYR 245.A OH no hydrogen 3.344 N/A GLU 266.A N HIS 262.A O no hydrogen 2.948 N/A ILE 267.A N LYS 263.A O no hydrogen 3.016 N/A MET 268.A N THR 264.A O no hydrogen 2.926 N/A LEU 269.A N ASN 265.A O no hydrogen 2.921 N/A VAL 270.A N GLU 266.A O no hydrogen 2.996 N/A LEU 271.A N ILE 267.A O no hydrogen 2.990 N/A SER 272.A N MET 268.A O no hydrogen 2.950 N/A SER 272.A OG MET 268.A O no hydrogen 3.424 N/A SER 273.A N LEU 269.A O no hydrogen 2.976 N/A SER 273.A OG LEU 269.A O no hydrogen 2.954 N/A SER 273.A OG VAL 270.A O no hydrogen 2.987 N/A PHE 274.A N VAL 270.A O no hydrogen 2.908 N/A ASN 275.A N LEU 271.A O no hydrogen 3.008 N/A SER 276.A N SER 272.A O no hydrogen 3.068 N/A SER 276.A OG SER 272.A O no hydrogen 3.567 N/A CYS 277.A N SER 273.A O no hydrogen 2.964 N/A CYS 277.A N PHE 274.A O no hydrogen 3.222 N/A CYS 277.A SG PHE 274.A O no hydrogen 2.950 N/A LEU 278.A N PHE 274.A O no hydrogen 2.925 N/A ASP 279.A N ASN 275.A O no hydrogen 3.075 N/A MET 282.A N LEU 278.A O no hydrogen 3.000 N/A TYR 283.A N ASP 279.A O no hydrogen 2.985 N/A PHE 284.A N PRO 280.A O no hydrogen 2.909 N/A LEU 285.A N VAL 281.A O no hydrogen 2.959 N/A MET 286.A N MET 282.A O no hydrogen 2.892 N/A SER 287.A OG ASN 289.A OD1 no hydrogen 2.662 N/A ARG 291.A N SER 287.A O no hydrogen 2.832 N/A ARG 291.A NH1 LEU 285.A O no hydrogen 2.807 N/A LYS 292.A N SER 288.A O no hydrogen 2.917 N/A ILE 293.A N ASN 289.A O no hydrogen 2.908 N/A MET 294.A N ILE 290.A O no hydrogen 2.890 N/A CYS 295.A N ARG 291.A O no hydrogen 2.888 N/A GLN 296.A N LYS 292.A O no hydrogen 2.902 N/A LEU 297.A N ILE 293.A O no hydrogen 2.893 N/A LEU 298.A N MET 294.A O no hydrogen 2.672 N/A