Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4fie_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NH2 ASP 155.A OD1 no hydrogen 2.803 N/A ARG 1.A NH2 GLU 217.A OE2 no hydrogen 3.560 N/A LEU 5.A N GLY 187.A O no hydrogen 2.994 N/A ASP 7.A N LEU 185.A O no hydrogen 2.943 N/A HIS 12.A N GLN 8.A O no hydrogen 3.327 N/A GLU 13.A N ARG 9.A O no hydrogen 2.677 N/A GLN 14.A N VAL 10.A O no hydrogen 2.981 N/A PHE 15.A N SER 11.A O no hydrogen 3.317 N/A ARG 16.A N HIS 12.A O no hydrogen 2.793 N/A ALA 17.A N GLU 13.A O no hydrogen 3.000 N/A ALA 18.A N GLN 14.A O no hydrogen 2.914 N/A LEU 19.A N PHE 15.A O no hydrogen 3.126 N/A GLN 20.A N ARG 16.A O no hydrogen 2.853 N/A LEU 21.A N ALA 18.A O no hydrogen 3.069 N/A VAL 22.A N ALA 18.A O no hydrogen 3.222 N/A VAL 23.A N LEU 19.A O no hydrogen 2.951 N/A ASP 24.A N SER 95.A O no hydrogen 2.936 N/A ARG 29.A N ASP 27.A OD1 no hydrogen 2.859 N/A ARG 29.A NE ASP 27.A OD1 no hydrogen 3.028 N/A ARG 29.A NH2 ASP 27.A OD2 no hydrogen 2.968 N/A SER 30.A N ASP 27.A O no hydrogen 3.382 N/A SER 30.A OG ASP 27.A O no hydrogen 2.752 N/A TYR 31.A N PRO 28.A O no hydrogen 3.058 N/A TYR 31.A OH TYR 96.A OH no hydrogen 2.849 N/A ASP 33.A N THR 50.A O no hydrogen 2.882 N/A ILE 36.A N ILE 48.A O no hydrogen 3.121 N/A ILE 38.A N VAL 46.A O no hydrogen 2.879 N/A GLY 39.A N VAL 46.A O no hydrogen 3.175 N/A GLY 41.A N GLY 44.A O no hydrogen 2.843 N/A SER 42.A OG PRO 4.A O no hydrogen 3.371 N/A VAL 46.A N GLY 39.A O no hydrogen 2.832 N/A CYS 47.A N VAL 60.A O no hydrogen 2.877 N/A CYS 47.A SG ILE 48.A O no hydrogen 3.862 N/A CYS 47.A SG VAL 60.A O no hydrogen 3.743 N/A ILE 48.A N ILE 36.A O no hydrogen 2.799 N/A ALA 49.A N VAL 58.A O no hydrogen 3.065 N/A THR 50.A N ASP 33.A O no hydrogen 2.861 N/A THR 50.A OG1 ASP 33.A O no hydrogen 3.190 N/A VAL 51.A N LYS 56.A O no hydrogen 2.807 N/A ARG 52.A N TYR 31.A O no hydrogen 2.904 N/A GLY 55.A N VAL 51.A O no hydrogen 2.822 N/A LYS 56.A N SER 54.A OG no hydrogen 3.244 N/A VAL 58.A N ALA 49.A O no hydrogen 2.930 N/A ALA 59.A N MET 106.A O no hydrogen 3.042 N/A VAL 60.A N CYS 47.A O no hydrogen 2.713 N/A LYS 61.A N VAL 104.A O no hydrogen 3.031 N/A LYS 61.A NZ ASP 169.A OD1 no hydrogen 3.298 N/A LYS 62.A N ILE 45.A O no hydrogen 2.836 N/A MET 63.A N LEU 102.A O no hydrogen 2.988 N/A LEU 65.A N ASP 100.A O no hydrogen 2.736 N/A ARG 66.A NE ASP 64.A OD1 no hydrogen 3.139 N/A ARG 66.A NE ASP 64.A OD2 no hydrogen 3.001 N/A LYS 67.A N ASP 64.A OD1 no hydrogen 2.964 N/A GLN 68.A NE2 THR 43.A O no hydrogen 2.871 N/A GLN 68.A NE2 ASP 64.A O no hydrogen 3.452 N/A ARG 70.A NH1 ASP 7.A OD1 no hydrogen 3.526 N/A GLU 72.A N GLU 72.A OE2 no hydrogen 2.618 N/A LEU 73.A N ARG 70.A O no hydrogen 3.096 N/A LEU 74.A N ARG 71.A O no hydrogen 2.811 N/A ASN 76.A N LEU 73.A O no hydrogen 3.340 N/A ASN 76.A ND2 LEU 73.A O no hydrogen 2.993 N/A VAL 78.A N PHE 75.A O no hydrogen 3.280 N/A VAL 79.A N PHE 75.A O no hydrogen 3.053 N/A ILE 80.A N ASN 76.A O no hydrogen 2.938 N/A ARG 82.A N VAL 78.A O no hydrogen 3.147 N/A ARG 82.A NH1 ASP 24.A OD1 no hydrogen 3.445 N/A ARG 82.A NH1 ASP 24.A OD2 no hydrogen 3.497 N/A ASP 83.A N VAL 79.A O no hydrogen 2.924 N/A TYR 84.A N ILE 80.A O no hydrogen 3.023 N/A GLN 85.A N ASP 83.A O no hydrogen 2.976 N/A ASN 88.A N HIS 86.A ND1 no hydrogen 3.159 N/A ASN 88.A ND2 VAL 165.A O no hydrogen 3.228 N/A VAL 89.A N HIS 86.A O no hydrogen 2.955 N/A VAL 90.A N LEU 167.A O no hydrogen 3.205 N/A GLU 91.A N GLU 107.A OE2 no hydrogen 2.829 N/A TYR 93.A N VAL 105.A O no hydrogen 2.791 N/A ASN 94.A N VAL 105.A O no hydrogen 3.132 N/A ASN 94.A ND2 ASP 24.A OD2 no hydrogen 2.902 N/A SER 95.A N ASP 24.A OD2 no hydrogen 2.858 N/A TYR 96.A N TRP 103.A O no hydrogen 2.907 N/A TYR 96.A OH TYR 31.A OH no hydrogen 2.849 N/A VAL 98.A N GLU 101.A O no hydrogen 2.812 N/A GLU 101.A N VAL 98.A O no hydrogen 2.807 N/A LEU 102.A N MET 63.A O no hydrogen 2.740 N/A TRP 103.A N TYR 96.A O no hydrogen 2.810 N/A TRP 103.A NE1 GLU 101.A OE1 no hydrogen 2.680 N/A VAL 104.A N LYS 61.A O no hydrogen 3.117 N/A VAL 105.A N ASN 94.A O no hydrogen 2.603 N/A MET 106.A N ALA 59.A O no hydrogen 3.163 N/A GLU 107.A N GLU 91.A O no hydrogen 3.091 N/A GLU 110.A N GLU 110.A OE2 no hydrogen 2.595 N/A GLY 111.A N LEU 159.A O no hydrogen 2.863 N/A GLY 112.A N LEU 109.A O no hydrogen 3.394 N/A LEU 114.A N SER 154.A O no hydrogen 3.234 N/A LEU 114.A N ILE 157.A O no hydrogen 2.956 N/A THR 115.A OG1 SER 154.A OG no hydrogen 3.418 N/A VAL 118.A N LEU 114.A O no hydrogen 2.930 N/A THR 119.A N THR 115.A O no hydrogen 3.146 N/A THR 119.A OG1 THR 115.A O no hydrogen 3.050 N/A THR 119.A OG1 ASP 116.A O no hydrogen 3.425 N/A THR 119.A OG1 HIS 120.A ND1 no hydrogen 3.038 N/A HIS 120.A ND1 THR 119.A OG1 no hydrogen 3.038 N/A THR 121.A N ILE 117.A O no hydrogen 3.225 N/A ASN 124.A N GLN 127.A OE1 no hydrogen 3.048 N/A GLN 127.A N ASN 124.A OD1 no hydrogen 2.798 N/A GLN 127.A NE2 SER 290.A O no hydrogen 2.754 N/A ILE 128.A N ASN 124.A O no hydrogen 2.996 N/A ALA 129.A N GLU 125.A O no hydrogen 2.862 N/A ALA 130.A N GLU 126.A O no hydrogen 3.332 N/A VAL 131.A N GLN 127.A O no hydrogen 3.204 N/A CYS 132.A N ILE 128.A O no hydrogen 3.091 N/A CYS 132.A SG ILE 128.A O no hydrogen 3.454 N/A LEU 133.A N ALA 129.A O no hydrogen 2.973 N/A ALA 134.A N ALA 130.A O no hydrogen 3.404 N/A VAL 135.A N VAL 131.A O no hydrogen 2.982 N/A LEU 136.A N CYS 132.A O no hydrogen 2.933 N/A GLN 137.A N LEU 133.A O no hydrogen 2.878 N/A ALA 138.A N ALA 134.A O no hydrogen 3.389 N/A LEU 139.A N VAL 135.A O no hydrogen 2.793 N/A SER 140.A N LEU 136.A O no hydrogen 2.769 N/A SER 140.A OG LEU 136.A O no hydrogen 3.409 N/A SER 140.A OG GLN 137.A O no hydrogen 2.766 N/A LEU 142.A N ALA 138.A O no hydrogen 3.252 N/A HIS 143.A N LEU 139.A O no hydrogen 2.897 N/A ALA 144.A N SER 140.A O no hydrogen 2.749 N/A GLY 146.A N HIS 143.A O no hydrogen 2.859 N/A VAL 147.A N LEU 142.A O no hydrogen 2.676 N/A ILE 148.A N ALA 174.A O no hydrogen 3.093 N/A HIS 149.A N ASP 207.A OD2 no hydrogen 2.719 N/A HIS 149.A NE2 SER 168.A O no hydrogen 3.044 N/A ARG 150.A N ASP 207.A OD1 no hydrogen 2.909 N/A ASP 151.A N HIS 149.A ND1 no hydrogen 3.156 N/A SER 154.A N GLU 217.A OE1 no hydrogen 3.182 N/A SER 154.A OG THR 115.A OG1 no hydrogen 3.418 N/A SER 154.A OG ASP 155.A OD1 no hydrogen 3.393 N/A SER 154.A OG GLU 217.A OE1 no hydrogen 3.249 N/A SER 154.A OG GLU 217.A OE2 no hydrogen 2.615 N/A SER 156.A N LYS 153.A O no hydrogen 2.905 N/A SER 156.A OG ASP 151.A O no hydrogen 2.708 N/A ILE 157.A N SER 154.A O no hydrogen 3.293 N/A LEU 158.A N LYS 166.A O no hydrogen 3.009 N/A LEU 159.A N GLY 112.A O no hydrogen 3.078 N/A THR 160.A N ARG 164.A O no hydrogen 2.968 N/A THR 160.A OG1 ASP 162.A OD1 no hydrogen 2.748 N/A THR 160.A OG1 ARG 164.A O no hydrogen 3.536 N/A HIS 161.A N GLU 110.A OE1 no hydrogen 2.847 N/A HIS 161.A ND1 GLU 110.A OE1 no hydrogen 2.676 N/A GLY 163.A N THR 160.A O no hydrogen 3.401 N/A ARG 164.A N THR 160.A OG1 no hydrogen 2.924 N/A ARG 164.A NE ASP 162.A OD2 no hydrogen 2.789 N/A LYS 166.A N LEU 158.A O no hydrogen 2.993 N/A LYS 166.A NZ GLU 107.A OE2 no hydrogen 2.992 N/A LEU 167.A N ASN 88.A O no hydrogen 2.856 N/A SER 168.A N SER 156.A O no hydrogen 2.960 N/A SER 168.A OG ASP 169.A OD1 no hydrogen 3.557 N/A CYS 173.A N PHE 170.A O no hydrogen 3.123 N/A CYS 173.A SG ILE 148.A O no hydrogen 3.745 N/A CYS 173.A SG PHE 170.A O no hydrogen 3.306 N/A ALA 174.A N ILE 148.A O no hydrogen 2.856 N/A GLN 175.A NE2 GLN 145.A O no hydrogen 2.945 N/A GLN 175.A NE2 VAL 176.A O no hydrogen 3.587 N/A VAL 176.A N GLY 146.A O no hydrogen 2.724 N/A SER 177.A N VAL 180.A O no hydrogen 2.881 N/A SER 177.A OG GLU 179.A OE2 no hydrogen 3.535 N/A VAL 180.A N SER 177.A OG no hydrogen 3.397 N/A ARG 182.A NH1 PRO 181.A O no hydrogen 3.524 N/A ARG 182.A NH2 GLU 205.A OE1 no hydrogen 2.772 N/A ARG 182.A NH2 GLU 205.A OE2 no hydrogen 3.438 N/A ARG 183.A N TYR 202.A O no hydrogen 2.807 N/A ARG 183.A NH1 GLN 175.A O no hydrogen 2.856 N/A GLY 187.A N LEU 5.A O no hydrogen 2.983 N/A THR 188.A N ASP 151.A OD1 no hydrogen 3.216 N/A THR 188.A OG1 ASP 151.A OD1 no hydrogen 2.833 N/A TYR 190.A OH GLU 228.A O no hydrogen 2.894 N/A TRP 191.A NE1 GLU 217.A OE1 no hydrogen 3.011 N/A GLU 195.A N GLU 195.A OE1 no hydrogen 2.784 N/A ILE 197.A N ALA 193.A O no hydrogen 3.208 N/A SER 198.A N PRO 194.A O no hydrogen 3.159 N/A SER 198.A OG PRO 194.A O no hydrogen 3.548 N/A ARG 199.A N LEU 196.A O no hydrogen 3.137 N/A LEU 200.A N GLU 195.A O no hydrogen 3.099 N/A TYR 202.A N ARG 183.A O no hydrogen 2.935 N/A ASP 207.A N PRO 204.A O no hydrogen 3.324 N/A TRP 209.A N GLU 205.A O no hydrogen 3.259 N/A SER 210.A N VAL 206.A O no hydrogen 3.172 N/A SER 210.A OG TRP 191.A O no hydrogen 2.641 N/A SER 210.A OG VAL 206.A O no hydrogen 2.881 N/A LEU 211.A N ASP 207.A O no hydrogen 2.886 N/A GLY 212.A N ILE 208.A O no hydrogen 2.993 N/A ILE 213.A N TRP 209.A O no hydrogen 3.033 N/A MET 214.A N SER 210.A O no hydrogen 3.005 N/A VAL 215.A N LEU 211.A O no hydrogen 2.800 N/A VAL 215.A N GLY 212.A O no hydrogen 3.163 N/A ILE 216.A N GLY 212.A O no hydrogen 3.232 N/A GLU 217.A N ILE 213.A O no hydrogen 3.002 N/A MET 218.A N MET 214.A O no hydrogen 3.320 N/A VAL 219.A N VAL 215.A O no hydrogen 3.037 N/A ASP 220.A N ILE 216.A O no hydrogen 2.731 N/A GLY 221.A N GLU 217.A O no hydrogen 2.763 N/A PHE 226.A N PRO 223.A O no hydrogen 3.240 N/A GLU 228.A N TYR 225.A O no hydrogen 3.157 N/A ALA 233.A N PRO 229.A O no hydrogen 3.106 N/A MET 234.A N PRO 230.A O no hydrogen 2.919 N/A MET 236.A N LYS 232.A O no hydrogen 2.914 N/A ILE 237.A N ALA 233.A O no hydrogen 3.274 N/A ARG 238.A N MET 234.A O no hydrogen 3.022 N/A ARG 238.A NE ASP 239.A OD1 no hydrogen 3.298 N/A ARG 238.A NH2 ASP 239.A OD2 no hydrogen 3.445 N/A ASP 239.A N LYS 235.A O no hydrogen 2.809 N/A ASN 240.A N MET 236.A O no hydrogen 2.820 N/A ASN 240.A ND2 TYR 225.A OH no hydrogen 3.154 N/A LYS 246.A N ASP 220.A OD2 no hydrogen 3.258 N/A SER 252.A N GLU 125.A OE2 no hydrogen 2.755 N/A SER 252.A OG GLU 125.A OE1 no hydrogen 2.520 N/A SER 252.A OG GLU 125.A OE2 no hydrogen 3.216 N/A LEU 255.A N SER 252.A OG no hydrogen 3.365 N/A LYS 256.A N SER 252.A O no hydrogen 3.104 N/A GLY 257.A N PRO 253.A O no hydrogen 2.910 N/A PHE 258.A N SER 254.A O no hydrogen 3.180 N/A LEU 259.A N LEU 255.A O no hydrogen 2.900 N/A ASP 260.A N LYS 256.A O no hydrogen 2.964 N/A ARG 261.A N PHE 258.A O no hydrogen 3.096 N/A ARG 261.A NH1 GLN 269.A O no hydrogen 3.178 N/A ARG 261.A NH2 GLN 269.A O no hydrogen 3.419 N/A ARG 261.A NH2 GLU 275.A OE1 no hydrogen 3.424 N/A LEU 262.A N LEU 259.A O no hydrogen 3.036 N/A LEU 263.A N LEU 259.A O no hydrogen 3.046 N/A ARG 265.A NH1 ARG 238.A O no hydrogen 3.446 N/A ARG 265.A NH1 ASP 239.A O no hydrogen 3.188 N/A ARG 265.A NH2 ARG 238.A O no hydrogen 2.625 N/A GLN 269.A N ASP 266.A O no hydrogen 3.069 N/A ARG 270.A N ASP 266.A O no hydrogen 3.142 N/A ARG 270.A NE VAL 264.A O no hydrogen 2.961 N/A ARG 270.A NH1 GLU 205.A O no hydrogen 2.861 N/A ARG 270.A NH2 GLU 195.A OE1 no hydrogen 2.932 N/A ARG 270.A NH2 VAL 264.A O no hydrogen 2.921 N/A ARG 270.A NH2 ARG 265.A O no hydrogen 3.478 N/A ALA 271.A N ARG 261.A O no hydrogen 3.304 N/A THR 272.A OG1 GLU 275.A OE2 no hydrogen 3.256 N/A LEU 276.A N THR 272.A O no hydrogen 3.055 N/A LYS 278.A N GLU 275.A O no hydrogen 2.779 N/A HIS 279.A N LEU 276.A O no hydrogen 3.165 N/A PHE 281.A N HIS 279.A ND1 no hydrogen 3.137 N/A LEU 282.A N HIS 279.A O no hydrogen 3.168 N/A ALA 283.A N PRO 280.A O no hydrogen 3.170 N/A LYS 284.A N PHE 281.A O no hydrogen 3.108 N/A LYS 284.A NZ GLU 125.A OE1 no hydrogen 3.295 N/A LYS 284.A NZ SER 252.A OG no hydrogen 2.973 N/A ALA 285.A N LEU 282.A O no hydrogen 3.294 N/A GLY 286.A N GLU 126.A O no hydrogen 3.112 N/A SER 290.A N PRO 287.A O no hydrogen 2.928 N/A SER 290.A OG PRO 287.A O no hydrogen 2.867 N/A ILE 291.A N PRO 288.A O no hydrogen 3.268 N/A LEU 294.A N ILE 291.A O no hydrogen 2.924 N/A MET 295.A N VAL 292.A O no hydrogen 3.290 N/A ARG 296.A NH1 ASP 116.A OD2 no hydrogen 3.234 N/A ASN 298.A N MET 295.A O no hydrogen 2.892 N/A ASN 298.A ND2 VAL 292.A O no hydrogen 2.894 N/A ARG 299.A N ARG 296.A O no hydrogen 3.312 N/A ARG 299.A NH1 ASP 116.A OD2 no hydrogen 3.545 N/A ARG 299.A NH2 ASP 116.A OD1 no hydrogen 3.244 N/A ARG 299.A NH2 ASP 116.A OD2 no hydrogen 2.967 N/A THR 300.A OG1 ARG 299.A O no hydrogen 2.783 N/A