Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4o5g_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 4.A N HIS 2.A ND1 no hydrogen 3.336 N/A HIS 4.A ND1 HIS 5.A O no hydrogen 2.741 N/A HIS 5.A ND1 GLU 132.A OE1 no hydrogen 2.823 N/A HIS 5.A NE2 ASP 119.A OD1 no hydrogen 2.704 N/A HIS 6.A N LYS 134.A O no hydrogen 2.831 N/A LEU 14.A N LEU 261.A O no hydrogen 2.947 N/A LYS 15.A N ASP 58.A OD2 no hydrogen 2.636 N/A LYS 15.A NZ ARG 55.A O no hydrogen 3.188 N/A LYS 15.A NZ GLU 56.A O no hydrogen 2.937 N/A ILE 16.A N VAL 259.A O no hydrogen 2.651 N/A LEU 17.A N LEU 59.A O no hydrogen 2.907 N/A HIS 18.A N VAL 257.A O no hydrogen 2.836 N/A HIS 18.A ND1 TYR 218.A OH no hydrogen 2.903 N/A HIS 18.A NE2 THR 63.A OG1 no hydrogen 3.013 N/A THR 19.A N LEU 61.A O no hydrogen 3.128 N/A SER 20.A OG ASP 21.A OD2 no hydrogen 2.451 N/A SER 20.A OG THR 63.A O no hydrogen 3.043 N/A SER 20.A OG THR 63.A OG1 no hydrogen 3.327 N/A ASP 21.A N THR 63.A O no hydrogen 3.444 N/A TRP 22.A NE1 THR 19.A OG1 no hydrogen 3.136 N/A HIS 23.A N ASP 65.A O no hydrogen 2.997 N/A HIS 23.A ND1 HIS 68.A ND1 no hydrogen 3.054 N/A LEU 24.A N LEU 66.A O no hydrogen 2.894 N/A VAL 26.A N HIS 23.A O no hydrogen 3.281 N/A SER 28.A N VAL 35.A O no hydrogen 3.016 N/A SER 28.A OG ILE 245.A O no hydrogen 3.278 N/A TRP 29.A NE1 ASP 246.A OD1 no hydrogen 3.144 N/A SER 32.A N TRP 29.A O no hydrogen 3.250 N/A SER 32.A OG TRP 29.A O no hydrogen 3.535 N/A SER 32.A OG VAL 328.A O no hydrogen 2.696 N/A ARG 33.A N TRP 29.A O no hydrogen 2.883 N/A ARG 33.A NE LEU 327.A O no hydrogen 2.713 N/A ARG 33.A NH2 MET 321.A O no hydrogen 2.716 N/A ARG 33.A NH2 LEU 327.A O no hydrogen 2.832 N/A VAL 35.A N SER 28.A O no hydrogen 2.970 N/A ARG 37.A N VAL 26.A O no hydrogen 3.410 N/A ARG 37.A NE GLU 40.A OE1 no hydrogen 3.210 N/A ARG 37.A NH1 SER 28.A OG no hydrogen 2.864 N/A ARG 37.A NH1 ARG 244.A O no hydrogen 3.028 N/A ARG 37.A NH1 ILE 245.A O no hydrogen 3.342 N/A ARG 37.A NH2 GLU 40.A OE1 no hydrogen 3.012 N/A ARG 37.A NH2 ARG 244.A O no hydrogen 2.865 N/A ARG 38.A N ASP 36.A OD1 no hydrogen 3.121 N/A ARG 38.A NE ASP 80.A OD2 no hydrogen 2.645 N/A ARG 38.A NH2 ASP 80.A OD1 no hydrogen 3.007 N/A ARG 38.A NH2 ASP 80.A OD2 no hydrogen 3.460 N/A LEU 41.A N ARG 37.A O no hydrogen 2.868 N/A LYS 42.A N ARG 38.A O no hydrogen 2.806 N/A LYS 42.A NZ TYR 84.A OH no hydrogen 3.150 N/A LYS 43.A N GLU 39.A O no hydrogen 3.157 N/A ALA 44.A N GLU 40.A O no hydrogen 3.173 N/A LEU 45.A N LEU 41.A O no hydrogen 2.954 N/A ASP 46.A N LYS 42.A O no hydrogen 2.886 N/A LYS 47.A N LYS 43.A O no hydrogen 3.106 N/A LYS 47.A NZ SER 275.A OG no hydrogen 2.839 N/A VAL 48.A N ALA 44.A O no hydrogen 3.103 N/A VAL 49.A N LEU 45.A O no hydrogen 2.947 N/A GLU 50.A N ASP 46.A O no hydrogen 2.911 N/A GLU 51.A N LYS 47.A O no hydrogen 3.112 N/A ALA 52.A N VAL 48.A O no hydrogen 3.004 N/A GLU 53.A N VAL 49.A O no hydrogen 3.056 N/A LYS 54.A N GLU 50.A O no hydrogen 2.910 N/A LYS 54.A NZ GLU 51.A OE2 no hydrogen 2.893 N/A ARG 55.A N GLU 51.A O no hydrogen 2.896 N/A ARG 55.A NE GLU 51.A OE1 no hydrogen 2.838 N/A ARG 55.A NH1 GLU 270.A OE2 no hydrogen 3.269 N/A ARG 55.A NH2 GLU 270.A OE2 no hydrogen 3.001 N/A GLU 56.A N GLU 53.A O no hydrogen 3.190 N/A VAL 57.A N ALA 52.A O no hydrogen 3.269 N/A ASP 58.A N LYS 15.A O no hydrogen 2.650 N/A LEU 59.A N LYS 15.A O no hydrogen 3.168 N/A ILE 60.A N PRO 93.A O no hydrogen 2.906 N/A LEU 61.A N LEU 17.A O no hydrogen 2.741 N/A LEU 62.A N VAL 95.A O no hydrogen 2.794 N/A THR 63.A N THR 19.A O no hydrogen 3.384 N/A THR 63.A OG1 HIS 18.A NE2 no hydrogen 3.013 N/A THR 63.A OG1 LEU 221.A O no hydrogen 3.085 N/A HIS 68.A N LEU 24.A O no hydrogen 2.983 N/A HIS 68.A ND1 HIS 23.A ND1 no hydrogen 3.054 N/A ASN 72.A N SER 69.A OG no hydrogen 3.133 N/A ALA 77.A N SER 74.A OG no hydrogen 3.194 N/A LEU 78.A N SER 74.A O no hydrogen 3.055 N/A HIS 79.A N VAL 75.A O no hydrogen 2.780 N/A ASP 80.A N VAL 76.A O no hydrogen 2.846 N/A LEU 81.A N ALA 77.A O no hydrogen 2.913 N/A LEU 82.A N LEU 78.A O no hydrogen 3.016 N/A ASP 83.A N HIS 79.A O no hydrogen 2.953 N/A TYR 84.A N ASP 80.A O no hydrogen 3.023 N/A TYR 84.A OH ASP 46.A OD1 no hydrogen 2.734 N/A LEU 85.A N LEU 81.A O no hydrogen 2.875 N/A LYS 86.A N LEU 82.A O no hydrogen 3.087 N/A ARG 87.A N ASP 83.A O no hydrogen 3.010 N/A ARG 87.A NE ASP 83.A OD1 no hydrogen 2.933 N/A ARG 87.A NH2 ASP 83.A OD1 no hydrogen 3.134 N/A MET 88.A N TYR 84.A O no hydrogen 2.977 N/A MET 89.A N LEU 85.A O no hydrogen 3.035 N/A ARG 90.A N LYS 86.A O no hydrogen 3.320 N/A THR 91.A N MET 88.A O no hydrogen 2.886 N/A THR 91.A OG1 ARG 87.A O no hydrogen 3.541 N/A ALA 92.A N MET 88.A O no hydrogen 2.917 N/A VAL 94.A N ASP 119.A O no hydrogen 2.843 N/A VAL 95.A N ILE 60.A O no hydrogen 2.749 N/A VAL 96.A N THR 121.A O no hydrogen 2.823 N/A LEU 97.A N LEU 62.A O no hydrogen 2.738 N/A HIS 101.A ND1 TRP 103.A O no hydrogen 3.299 N/A PHE 109.A N GLY 105.A O no hydrogen 3.242 N/A GLY 110.A N LEU 106.A O no hydrogen 2.744 N/A ASN 111.A N LYS 107.A O no hydrogen 3.113 N/A PHE 112.A N LEU 108.A O no hydrogen 3.035 N/A VAL 113.A N PHE 109.A O no hydrogen 2.900 N/A THR 114.A N GLY 110.A O no hydrogen 2.966 N/A THR 114.A OG1 GLY 110.A O no hydrogen 2.710 N/A SER 115.A N ASN 111.A O no hydrogen 2.974 N/A SER 115.A OG ASN 111.A O no hydrogen 2.912 N/A ILE 116.A N PHE 112.A O no hydrogen 3.144 N/A ILE 116.A N VAL 113.A O no hydrogen 3.334 N/A ASP 119.A N SER 117.A OG no hydrogen 3.181 N/A THR 121.A N VAL 94.A O no hydrogen 2.843 N/A PHE 122.A N THR 114.A OG1 no hydrogen 2.853 N/A VAL 123.A N VAL 96.A O no hydrogen 3.018 N/A SER 125.A OG GLU 127.A OE2 no hydrogen 3.277 N/A GLU 127.A N SER 125.A OG no hydrogen 3.269 N/A VAL 129.A N ILE 141.A O no hydrogen 3.228 N/A VAL 131.A N VAL 139.A O no hydrogen 2.802 N/A ALA 133.A N GLN 137.A O no hydrogen 2.807 N/A LYS 134.A N ASP 58.A O no hydrogen 2.847 N/A LYS 134.A NZ THR 91.A O no hydrogen 2.646 N/A ARG 135.A N GLN 137.A OE1 no hydrogen 2.977 N/A ARG 135.A NE ASP 58.A OD1 no hydrogen 2.660 N/A ARG 135.A NH2 ASP 58.A OD1 no hydrogen 3.452 N/A ARG 135.A NH2 ASP 58.A OD2 no hydrogen 2.990 N/A GLY 136.A N ALA 133.A O no hydrogen 2.939 N/A GLN 137.A N GLN 137.A OE1 no hydrogen 2.881 N/A GLN 137.A NE2 GLU 13.A O no hydrogen 2.866 N/A VAL 139.A N VAL 131.A O no hydrogen 2.858 N/A ARG 140.A N PHE 181.A O no hydrogen 2.771 N/A ILE 141.A N VAL 129.A O no hydrogen 2.779 N/A LEU 142.A N ILE 183.A O no hydrogen 2.727 N/A PHE 144.A N MET 185.A O no hydrogen 2.704 N/A TYR 146.A OH ARG 203.A O no hydrogen 2.331 N/A SER 150.A N ASP 148.A O no hydrogen 2.411 N/A LEU 153.A N GLU 149.A O no hydrogen 3.395 N/A ASP 159.A N ASN 156.A OD1 no hydrogen 3.455 N/A PHE 160.A N ASN 156.A O no hydrogen 3.308 N/A ARG 161.A N GLU 157.A O no hydrogen 3.074 N/A PHE 162.A N GLY 158.A O no hydrogen 3.248 N/A PHE 163.A N ASP 159.A O no hydrogen 2.887 N/A LEU 164.A N PHE 160.A O no hydrogen 3.017 N/A GLU 165.A N ARG 161.A O no hydrogen 3.000 N/A SER 166.A N PHE 162.A O no hydrogen 2.935 N/A SER 166.A OG.A PHE 162.A O no hydrogen 2.659 N/A ARG 167.A N PHE 163.A O no hydrogen 3.085 N/A LEU 168.A N LEU 164.A O no hydrogen 3.022 N/A ASN 169.A N GLU 165.A O no hydrogen 2.824 N/A LYS 170.A N SER 166.A O no hydrogen 2.990 N/A LEU 171.A N ARG 167.A O no hydrogen 2.975 N/A TYR 172.A N LEU 168.A O no hydrogen 2.816 N/A GLU 173.A N ASN 169.A O no hydrogen 2.930 N/A GLU 174.A N LYS 170.A O no hydrogen 3.022 N/A ALA 175.A N LEU 171.A O no hydrogen 3.001 N/A LEU 176.A N TYR 172.A O no hydrogen 3.301 N/A LEU 176.A N GLU 173.A O no hydrogen 3.153 N/A LYS 177.A N GLU 174.A O no hydrogen 3.159 N/A LYS 178.A NZ VAL 215.A O no hydrogen 3.301 N/A PHE 181.A N LYS 138.A O no hydrogen 3.250 N/A ALA 182.A N ASP 217.A OD2 no hydrogen 2.648 N/A ILE 183.A N ARG 140.A O no hydrogen 2.723 N/A PHE 184.A N TYR 218.A O no hydrogen 2.878 N/A MET 185.A N LEU 142.A O no hydrogen 2.978 N/A GLY 186.A N ALA 220.A O no hydrogen 2.983 N/A HIS 187.A N PHE 144.A O no hydrogen 3.127 N/A THR 189.A N ILE 205.A O no hydrogen 2.884 N/A VAL 190.A N TYR 238.A OH no hydrogen 3.014 N/A GLU 191.A N ILE 207.A O no hydrogen 2.934 N/A ILE 207.A N THR 189.A O no hydrogen 3.101 N/A ARG 209.A NH2 GLU 191.A O no hydrogen 3.468 N/A LEU 211.A N ASN 208.A O no hydrogen 2.986 N/A ILE 212.A N ARG 209.A O no hydrogen 3.422 N/A VAL 216.A N PRO 213.A O no hydrogen 3.325 N/A ASP 217.A N ALA 182.A O no hydrogen 2.835 N/A TYR 218.A OH HIS 18.A ND1 no hydrogen 2.903 N/A ALA 219.A N LEU 235.A O no hydrogen 2.706 N/A ALA 220.A N PHE 184.A O no hydrogen 2.712 N/A LEU 221.A N ILE 237.A O no hydrogen 3.110 N/A GLY 222.A N GLY 186.A O no hydrogen 3.049 N/A HIS 223.A N ASP 21.A OD2 no hydrogen 2.846 N/A HIS 225.A ND1 GLU 249.A OE2 no hydrogen 2.780 N/A SER 226.A OG TYR 196.A O no hydrogen 3.193 N/A SER 226.A OG ASP 252.A OD1 no hydrogen 2.992 N/A SER 226.A OG ASP 252.A OD2 no hydrogen 2.473 N/A ARG 228.A N TYR 238.A O no hydrogen 2.974 N/A ILE 230.A N THR 236.A O no hydrogen 2.794 N/A GLN 231.A NE2 ARG 209.A O no hydrogen 3.272 N/A GLN 231.A NE2 PRO 234.A O no hydrogen 3.666 N/A GLN 231.A NE2 THR 236.A OG1 no hydrogen 3.338 N/A THR 236.A N GLN 231.A O no hydrogen 2.981 N/A THR 236.A OG1 PRO 234.A O no hydrogen 2.733 N/A ILE 237.A N ALA 219.A O no hydrogen 3.097 N/A TYR 238.A N ARG 228.A O no hydrogen 2.929 N/A TYR 238.A OH PHE 188.A O no hydrogen 2.623 N/A SER 241.A N HIS 225.A O no hydrogen 2.821 N/A SER 241.A OG HIS 225.A O no hydrogen 3.358 N/A SER 241.A OG ILE 243.A O no hydrogen 2.818 N/A SER 241.A OG GLU 249.A OE1 no hydrogen 3.520 N/A ARG 244.A NE GLU 249.A O no hydrogen 3.251 N/A ARG 244.A NH1 LEU 277.A O no hydrogen 3.513 N/A ARG 244.A NH2 ASP 252.A O no hydrogen 2.385 N/A ILE 245.A N GLU 249.A OE1 no hydrogen 2.917 N/A PHE 247.A N ASP 246.A OD1 no hydrogen 2.662 N/A GLU 249.A N ASP 246.A O no hydrogen 2.916 N/A LYS 254.A NZ HIS 225.A O no hydrogen 2.969 N/A LYS 254.A NZ SER 241.A OG no hydrogen 3.122 N/A LYS 254.A NZ GLU 249.A OE1 no hydrogen 2.663 N/A LYS 254.A NZ ASP 252.A OD2 no hydrogen 2.773 N/A ALA 256.A N ILE 272.A O no hydrogen 2.801 N/A VAL 257.A N HIS 18.A O no hydrogen 2.896 N/A PHE 258.A N GLU 270.A O no hydrogen 2.916 N/A VAL 259.A N ILE 16.A O no hydrogen 2.774 N/A GLU 260.A N ARG 268.A O no hydrogen 2.903 N/A LEU 261.A N LEU 14.A O no hydrogen 2.845 N/A LYS 262.A NZ GLU 260.A OE2 no hydrogen 3.065 N/A ARG 263.A N LYS 12.A O no hydrogen 3.175 N/A ARG 268.A N GLU 260.A O no hydrogen 3.254 N/A TYR 269.A OH GLU 229.A OE2 no hydrogen 2.354 N/A GLU 270.A N PHE 258.A O no hydrogen 2.902 N/A ARG 271.A NH1 ASP 273.A OD1 no hydrogen 3.416 N/A ILE 272.A N ALA 256.A O no hydrogen 2.844 N/A ALA 274.A N LYS 254.A O no hydrogen 2.999 N/A SER 275.A N ASP 273.A OD2 no hydrogen 2.787 N/A SER 275.A OG ALA 274.A O no hydrogen 2.654 N/A LEU 277.A N GLU 40.A OE2 no hydrogen 2.894 N/A LYS 280.A N TYR 305.A O no hydrogen 3.114 N/A THR 281.A OG1 GLU 250.A OE2 no hydrogen 3.438 N/A LEU 282.A N ARG 307.A O no hydrogen 2.736 N/A TYR 284.A N VAL 309.A O no hydrogen 2.904 N/A TYR 284.A OH SER 294.A OG no hydrogen 2.697 N/A ALA 291.A N ASP 288.A OD1 no hydrogen 2.869 N/A LEU 292.A N ASP 288.A O no hydrogen 2.948 N/A LYS 293.A N THR 289.A O no hydrogen 3.136 N/A LYS 293.A NZ ASP 297.A OD2 no hydrogen 3.437 N/A SER 294.A N SER 290.A O no hydrogen 2.960 N/A SER 294.A OG TYR 284.A OH no hydrogen 2.697 N/A ILE 295.A N ALA 291.A O no hydrogen 2.784 N/A ARG 296.A N LEU 292.A O no hydrogen 3.069 N/A ARG 296.A NE GLU 323.A OE1 no hydrogen 3.177 N/A ARG 296.A NE GLU 323.A OE2 no hydrogen 2.508 N/A ARG 296.A NH2 GLU 323.A OE1 no hydrogen 2.776 N/A ASP 297.A N LYS 293.A O no hydrogen 3.114 N/A PHE 298.A N SER 294.A O no hydrogen 3.048 N/A CYS 299.A N ILE 295.A O no hydrogen 3.101 N/A CYS 299.A SG ILE 295.A O no hydrogen 3.289 N/A ARG 300.A NH1 ASP 297.A OD2 no hydrogen 3.350 N/A ARG 300.A NH2 ASP 297.A OD2 no hydrogen 3.196 N/A TYR 305.A N PRO 278.A O no hydrogen 3.118 N/A VAL 306.A N ASN 326.A O no hydrogen 3.245 N/A ARG 307.A N LYS 280.A O no hydrogen 2.758 N/A ARG 307.A NE THR 281.A OG1 no hydrogen 3.020 N/A ARG 307.A NH2 THR 281.A OG1 no hydrogen 3.000 N/A VAL 308.A N LYS 329.A O no hydrogen 2.802 N/A VAL 309.A N LEU 282.A O no hydrogen 2.753 N/A TYR 310.A N GLU 331.A OE1 no hydrogen 2.905 N/A TYR 310.A OH ASP 313.A OD1 no hydrogen 2.704 N/A GLU 311.A N LYS 285.A O no hydrogen 2.942 N/A GLU 312.A N LYS 285.A O no hydrogen 3.273 N/A GLY 322.A N ASP 319.A O no hydrogen 3.216 N/A GLU 323.A N ASP 319.A O no hydrogen 3.251 N/A ILE 324.A N LEU 320.A O no hydrogen 2.870 N/A ASP 325.A N ASP 325.A OD1 no hydrogen 2.390 N/A ASN 326.A ND2 CYS 299.A O no hydrogen 3.278 N/A ASN 326.A ND2 PHE 302.A O no hydrogen 2.543 N/A LEU 327.A N ILE 324.A O no hydrogen 3.173 N/A VAL 328.A N VAL 306.A O no hydrogen 3.067 N/A