Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ubd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 1.A N GLU 163.A O no hydrogen 3.324 N/A ALA 3.A N SER 161.A O no hydrogen 2.793 N/A ILE 4.A N THR 58.A O no hydrogen 2.802 N/A THR 5.A N GLY 159.A O no hydrogen 2.865 N/A HIS 6.A N LYS 60.A O no hydrogen 2.769 N/A VAL 8.A N ARG 62.A O no hydrogen 2.889 N/A HIS 12.A N LYS 9.A O no hydrogen 2.999 N/A LYS 14.A NZ ALA 82.A O no hydrogen 3.211 N/A SER 18.A N ASP 16.A OD1 no hydrogen 2.738 N/A SER 18.A OG ASP 16.A OD1 no hydrogen 2.563 N/A GLN 19.A N ASP 16.A O no hydrogen 2.946 N/A GLN 19.A NE2 LYS 14.A O no hydrogen 3.354 N/A GLU 21.A N LYS 38.A O no hydrogen 2.810 N/A LEU 23.A N LEU 36.A O no hydrogen 2.803 N/A LYS 24.A N LEU 36.A O no hydrogen 3.204 N/A LEU 26.A N VAL 34.A O no hydrogen 2.801 N/A GLN 28.A N GLY 32.A O no hydrogen 2.934 N/A PHE 31.A N GLN 28.A O no hydrogen 2.711 N/A GLY 32.A N GLY 29.A O no hydrogen 3.043 N/A VAL 34.A N LEU 26.A O no hydrogen 2.858 N/A PHE 35.A N MET 51.A O no hydrogen 2.929 N/A LEU 36.A N LYS 24.A O no hydrogen 2.860 N/A VAL 37.A N TYR 49.A O no hydrogen 2.882 N/A LYS 38.A N GLU 21.A O no hydrogen 2.758 N/A LYS 38.A NZ ARG 46.A O no hydrogen 3.207 N/A LYS 39.A N GLN 47.A O no hydrogen 2.919 N/A LYS 39.A NZ SER 41.A O no hydrogen 2.782 N/A LYS 39.A NZ ASP 44.A OD1 no hydrogen 2.825 N/A LYS 39.A NZ TYR 81.A OH no hydrogen 2.969 N/A ILE 40.A N GLN 19.A O no hydrogen 2.723 N/A SER 43.A N GLU 13.A OE1 no hydrogen 3.381 N/A SER 43.A OG.B GLU 13.A OE2 no hydrogen 2.742 N/A ALA 45.A N GLY 42.A O no hydrogen 3.004 N/A ARG 46.A N LYS 39.A O no hydrogen 2.720 N/A GLN 47.A N ASP 44.A O no hydrogen 2.952 N/A TYR 49.A N VAL 37.A O no hydrogen 2.873 N/A TYR 49.A OH ASP 44.A OD2 no hydrogen 2.482 N/A ALA 50.A N LEU 93.A O no hydrogen 2.818 N/A MET 51.A N PHE 35.A O no hydrogen 2.652 N/A LYS 52.A N LEU 91.A O no hydrogen 2.904 N/A LYS 52.A NZ PHE 31.A O no hydrogen 2.793 N/A LYS 52.A NZ LYS 33.A O no hydrogen 2.868 N/A LEU 54.A N LEU 89.A O no hydrogen 2.806 N/A THR 58.A N ILE 2.A O no hydrogen 2.841 N/A THR 58.A OG1 GLU 163.A OE1 no hydrogen 2.798 N/A LYS 60.A N ILE 4.A O no hydrogen 2.827 N/A LYS 60.A NZ TYR 167.A O no hydrogen 2.932 N/A LYS 60.A NZ SER 168.A O no hydrogen 3.082 N/A ARG 62.A N HIS 6.A O no hydrogen 2.818 N/A ARG 62.A NH1 VAL 61.A O no hydrogen 3.061 N/A ARG 62.A NH2 SER 168.A O no hydrogen 2.891 N/A ARG 64.A NE HIS 7.A O no hydrogen 2.939 N/A ARG 64.A NH1 GLU 70.A OE2 no hydrogen 2.803 N/A ARG 64.A NH2 HIS 7.A O no hydrogen 2.987 N/A VAL 65.A N GLY 134.A O no hydrogen 2.851 N/A PHE 75.A N HIS 73.A ND1 no hydrogen 3.046 N/A ILE 76.A N HIS 73.A O no hydrogen 3.419 N/A VAL 77.A N LEU 155.A O no hydrogen 2.983 N/A LYS 78.A N ASP 94.A OD2 no hydrogen 2.824 N/A LYS 78.A NZ GLU 70.A OE1 no hydrogen 2.890 N/A LYS 78.A NZ VAL 71.A O no hydrogen 3.267 N/A LEU 79.A N ASP 157.A OD1 no hydrogen 2.829 N/A HIS 80.A N ILE 92.A O no hydrogen 2.793 N/A HIS 80.A NE2 ASP 94.A OD1 no hydrogen 2.673 N/A TYR 81.A N ILE 92.A O no hydrogen 3.363 N/A TYR 81.A OH ASP 44.A OD1 no hydrogen 3.004 N/A TYR 81.A OH ASP 44.A OD2 no hydrogen 2.706 N/A PHE 83.A N TYR 90.A O no hydrogen 3.122 N/A GLN 84.A NE2 ALA 57.A O no hydrogen 3.034 N/A THR 85.A N LYS 88.A O no hydrogen 2.848 N/A THR 85.A OG1 GLN 84.A O no hydrogen 3.184 N/A LYS 88.A N THR 85.A O no hydrogen 3.040 N/A LEU 89.A N LEU 54.A O no hydrogen 2.883 N/A TYR 90.A N PHE 83.A O no hydrogen 2.895 N/A LEU 91.A N LYS 52.A O no hydrogen 2.798 N/A ILE 92.A N TYR 81.A O no hydrogen 2.883 N/A LEU 93.A N ALA 50.A O no hydrogen 2.813 N/A ASP 94.A N LYS 78.A O no hydrogen 3.065 N/A ARG 97.A NE GLU 149.A OE1 no hydrogen 3.136 N/A ARG 97.A NE GLU 149.A OE2 no hydrogen 3.495 N/A ARG 97.A NH2 GLU 149.A OE2 no hydrogen 3.040 N/A GLY 99.A N LEU 96.A O no hydrogen 3.253 N/A ASP 100.A N LEU 147.A O no hydrogen 2.917 N/A LEU 101.A N ASP 100.A OD1 no hydrogen 2.757 N/A PHE 102.A N ILE 145.A O no hydrogen 2.950 N/A ARG 104.A N LEU 101.A O no hydrogen 3.080 N/A SER 106.A N PHE 102.A O no hydrogen 2.903 N/A SER 106.A OG THR 103.A O no hydrogen 3.279 N/A LYS 107.A N THR 103.A O no hydrogen 3.114 N/A GLU 108.A N LEU 105.A O no hydrogen 2.846 N/A VAL 109.A N LEU 105.A O no hydrogen 3.063 N/A THR 112.A N ASP 115.A OD2 no hydrogen 2.933 N/A ASP 115.A N THR 112.A OG1 no hydrogen 3.317 N/A VAL 116.A N THR 112.A O no hydrogen 3.035 N/A LYS 117.A N GLU 113.A O no hydrogen 2.964 N/A PHE 118.A N ASP 115.A O no hydrogen 3.145 N/A TYR 119.A N ASP 115.A O no hydrogen 3.331 N/A LEU 120.A N VAL 116.A O no hydrogen 2.815 N/A ALA 121.A N LYS 117.A O no hydrogen 3.000 N/A GLU 122.A N PHE 118.A O no hydrogen 3.167 N/A LEU 123.A N TYR 119.A O no hydrogen 2.976 N/A ALA 124.A N LEU 120.A O no hydrogen 2.806 N/A LEU 125.A N ALA 121.A O no hydrogen 3.157 N/A ALA 126.A N GLU 122.A O no hydrogen 3.012 N/A LEU 127.A N LEU 123.A O no hydrogen 2.799 N/A ASP 128.A N ALA 124.A O no hydrogen 3.040 N/A HIS 129.A N LEU 125.A O no hydrogen 3.022 N/A LEU 130.A N ALA 126.A O no hydrogen 3.005 N/A HIS 131.A N LEU 127.A O no hydrogen 2.922 N/A HIS 131.A NE2 ASP 191.A OD2 no hydrogen 2.785 N/A SER 132.A N ASP 128.A O no hydrogen 2.972 N/A SER 132.A OG ASP 128.A O no hydrogen 3.415 N/A LEU 133.A N HIS 129.A O no hydrogen 3.054 N/A GLY 134.A N HIS 131.A O no hydrogen 2.938 N/A ILE 135.A N LEU 130.A O no hydrogen 2.947 N/A TYR 137.A N ASP 191.A OD2 no hydrogen 2.854 N/A TYR 137.A OH.A THR 156.A O no hydrogen 2.185 N/A TYR 137.A OH.B THR 156.A O no hydrogen 2.544 N/A ARG 138.A N ASP 191.A OD1 no hydrogen 2.867 N/A LYS 141.A N ASN 144.A OD1 no hydrogen 3.046 N/A LYS 141.A NZ ASP 139.A OD2 no hydrogen 2.858 N/A LYS 141.A NZ LEU 160.A O no hydrogen 2.765 N/A GLU 143.A N GLU 143.A OE1.A no hydrogen 2.685 N/A ASN 144.A N LYS 141.A O no hydrogen 2.836 N/A ASN 144.A ND2 THR 156.A OG1 no hydrogen 3.407 N/A ILE 145.A N PRO 142.A O no hydrogen 2.925 N/A LEU 146.A N LYS 154.A O no hydrogen 2.860 N/A LEU 147.A N ASP 100.A O no hydrogen 2.849 N/A ASP 148.A N HIS 152.A O no hydrogen 2.914 N/A GLU 150.A N ASP 148.A OD1 no hydrogen 2.915 N/A GLY 151.A N ASP 148.A O no hydrogen 2.909 N/A HIS 152.A N ASP 148.A OD1 no hydrogen 2.951 N/A HIS 152.A ND1 GLU 122.A OE2 no hydrogen 2.614 N/A ILE 153.A N GLU 122.A OE1 no hydrogen 2.837 N/A LYS 154.A N LEU 146.A O no hydrogen 2.895 N/A LYS 154.A NZ PRO 74.A O no hydrogen 2.886 N/A LEU 155.A N PHE 75.A O no hydrogen 2.838 N/A THR 156.A N ASN 144.A O no hydrogen 2.898 N/A THR 156.A OG1 TYR 137.A OH.B no hydrogen 2.985 N/A THR 156.A OG1 ASN 144.A O no hydrogen 3.286 N/A THR 156.A OG1 PHE 158.A O no hydrogen 3.046 N/A ASP 157.A N VAL 77.A O no hydrogen 3.024 N/A GLY 159.A N THR 5.A O no hydrogen 2.892 N/A SER 161.A N ALA 3.A O no hydrogen 3.005 N/A GLU 163.A N GLU 1.A O no hydrogen 2.620 N/A CYS 170.A SG.A TYR 167.A O no hydrogen 3.806 N/A CYS 170.A SG.B LYS 162.A O no hydrogen 3.981 N/A THR 172.A N ASP 139.A OD2 no hydrogen 2.859 N/A GLU 174.A N GLU 174.A OE1 no hydrogen 2.879 N/A TYR 175.A N THR 172.A O no hydrogen 3.069 N/A TYR 175.A OH GLU 201.A OE1 no hydrogen 2.627 N/A MET 176.A N VAL 173.A O no hydrogen 2.977 N/A GLU 179.A N GLU 179.A OE1 no hydrogen 2.796 N/A VAL 180.A N ALA 177.A O no hydrogen 3.003 N/A VAL 181.A N ALA 177.A O no hydrogen 2.967 N/A ASN 182.A N PRO 178.A O no hydrogen 2.822 N/A ARG 183.A N VAL 180.A O no hydrogen 3.041 N/A THR 187.A OG1 SER 189.A OG no hydrogen 2.959 N/A SER 189.A N THR 187.A OG1 no hydrogen 3.166 N/A SER 189.A OG THR 187.A OG1 no hydrogen 2.959 N/A ALA 190.A N THR 187.A O no hydrogen 2.996 N/A ASP 191.A N GLN 188.A O no hydrogen 2.914 N/A TRP 192.A N SER 189.A O no hydrogen 3.209 N/A SER 194.A N ALA 190.A O no hydrogen 3.306 N/A SER 194.A OG TYR 175.A O no hydrogen 2.649 N/A SER 194.A OG ALA 190.A O no hydrogen 3.381 N/A PHE 195.A N ASP 191.A O no hydrogen 2.814 N/A GLY 196.A N TRP 192.A O no hydrogen 2.963 N/A VAL 197.A N TRP 193.A O no hydrogen 2.934 N/A LEU 198.A N SER 194.A O no hydrogen 2.873 N/A MET 199.A N PHE 195.A O no hydrogen 2.905 N/A PHE 200.A N GLY 196.A O no hydrogen 2.793 N/A GLU 201.A N VAL 197.A O no hydrogen 2.873 N/A MET 202.A N LEU 198.A O no hydrogen 2.874 N/A LEU 203.A N MET 199.A O no hydrogen 3.002 N/A THR 204.A N PHE 200.A O no hydrogen 2.944 N/A THR 204.A OG1 PHE 200.A O no hydrogen 2.815 N/A THR 204.A OG1 THR 206.A OG1 no hydrogen 2.904 N/A GLY 205.A N GLU 201.A O no hydrogen 2.727 N/A THR 206.A N THR 204.A OG1 no hydrogen 3.045 N/A THR 206.A OG1 THR 204.A OG1 no hydrogen 2.904 N/A GLN 210.A NE2 GLU 174.A OE2 no hydrogen 2.653 N/A GLN 210.A NE2 GLY 211.A O no hydrogen 3.550 N/A GLY 211.A N THR 217.A OG1 no hydrogen 2.711 N/A LYS 212.A N GLU 216.A OE1 no hydrogen 2.827 N/A ARG 214.A NH1 GLY 171.A O no hydrogen 3.211 N/A ARG 214.A NH2 GLY 171.A O no hydrogen 3.244 N/A GLU 216.A N ASP 213.A OD1 no hydrogen 3.049 N/A THR 217.A N ASP 213.A O no hydrogen 3.037 N/A THR 217.A OG1 ASP 213.A O no hydrogen 3.378 N/A MET 218.A N ARG 214.A O no hydrogen 2.898 N/A THR 219.A N LYS 215.A O no hydrogen 3.062 N/A THR 219.A OG1 LYS 215.A O no hydrogen 3.158 N/A MET 220.A N GLU 216.A O no hydrogen 2.880 N/A ILE 221.A N THR 217.A O no hydrogen 2.874 N/A LEU 222.A N MET 218.A O no hydrogen 3.140 N/A LYS 223.A N THR 219.A O no hydrogen 2.858 N/A ALA 224.A N MET 220.A O no hydrogen 2.743 N/A LEU 232.A N PRO 229.A O no hydrogen 3.160 N/A SER 233.A N GLU 113.A OE2 no hydrogen 2.706 N/A SER 233.A OG GLU 113.A OE1 no hydrogen 2.561 N/A SER 233.A OG GLU 113.A OE2 no hydrogen 3.412 N/A SER 233.A OG GLU 235.A OE1 no hydrogen 3.436 N/A GLU 235.A N GLU 235.A OE1 no hydrogen 2.749 N/A ALA 236.A N SER 233.A OG no hydrogen 3.021 N/A GLN 237.A N SER 233.A O no hydrogen 2.891 N/A GLN 237.A NE2 LEU 232.A O no hydrogen 2.927 N/A SER 238.A N PRO 234.A O no hydrogen 2.824 N/A SER 238.A OG HIS 265.A NE2 no hydrogen 3.095 N/A LEU 239.A N GLU 235.A O no hydrogen 3.029 N/A LEU 240.A N ALA 236.A O no hydrogen 3.024 N/A ARG 241.A N GLN 237.A O no hydrogen 2.883 N/A MET 242.A N SER 238.A O no hydrogen 2.989 N/A LEU 243.A N LEU 239.A O no hydrogen 2.888 N/A PHE 244.A N LEU 240.A O no hydrogen 2.924 N/A ARG 246.A NE ILE 221.A O no hydrogen 2.748 N/A ARG 246.A NH1 ALA 224.A O no hydrogen 3.146 N/A ARG 246.A NH2 MET 220.A O no hydrogen 2.909 N/A ARG 246.A NH2 ILE 221.A O no hydrogen 3.131 N/A ARG 246.A NH2 ALA 224.A O no hydrogen 2.405 N/A ALA 249.A N ASN 247.A OD1 no hydrogen 2.923 N/A ASN 250.A N ASN 247.A O no hydrogen 2.866 N/A ARG 251.A N PRO 248.A O no hydrogen 3.188 N/A ARG 251.A NE LYS 245.A O no hydrogen 2.915 N/A ARG 251.A NH1 GLU 179.A OE2 no hydrogen 2.820 N/A ARG 251.A NH1 SER 189.A O no hydrogen 2.925 N/A ARG 251.A NH2 GLU 179.A OE1 no hydrogen 2.945 N/A ARG 251.A NH2 LYS 245.A O no hydrogen 3.033 N/A LEU 252.A N MET 242.A O no hydrogen 2.939 N/A GLY 253.A N GLU 261.A OE1 no hydrogen 2.904 N/A ALA 254.A N ARG 251.A O no hydrogen 3.030 N/A GLY 255.A N GLU 261.A OE1 no hydrogen 3.335 N/A GLY 258.A N GLY 255.A O no hydrogen 2.852 N/A GLU 260.A N ASP 257.A O no hydrogen 2.978 N/A GLU 261.A N GLY 258.A O no hydrogen 2.940 N/A ILE 262.A N VAL 259.A O no hydrogen 2.919 N/A LYS 263.A N VAL 259.A O no hydrogen 2.884 N/A LYS 263.A NZ GLU 260.A OE1 no hydrogen 2.894 N/A LYS 263.A NZ GLU 260.A OE2 no hydrogen 3.088 N/A ARG 264.A N GLU 260.A O no hydrogen 2.926 N/A ARG 264.A NH1 ASP 257.A OD2 no hydrogen 2.929 N/A HIS 265.A N ILE 262.A O no hydrogen 2.996 N/A HIS 265.A NE2 SER 238.A OG no hydrogen 3.095 N/A PHE 267.A N HIS 265.A ND1 no hydrogen 2.950 N/A PHE 268.A N HIS 265.A O no hydrogen 2.949 N/A SER 269.A N SER 266.A O no hydrogen 3.050 N/A SER 269.A OG SER 266.A O no hydrogen 3.261 N/A ILE 271.A N PHE 268.A O no hydrogen 2.889 N/A LYS 275.A N ASP 272.A OD1 no hydrogen 2.984 N/A LYS 275.A NZ GLU 280.A OE1 no hydrogen 3.087 N/A LEU 276.A N ASP 272.A O no hydrogen 2.885 N/A TYR 277.A N TRP 273.A O no hydrogen 3.001 N/A ARG 278.A N ASN 274.A O no hydrogen 3.041 N/A ARG 278.A NE GLU 280.A OE1 no hydrogen 3.168 N/A ARG 278.A NE GLU 280.A OE2 no hydrogen 3.237 N/A ARG 278.A NH2 GLU 280.A OE1 no hydrogen 3.320 N/A ARG 279.A N LEU 276.A O no hydrogen 2.914 N/A ARG 279.A NH1 PRO 74.A O no hydrogen 3.094 N/A ARG 279.A NH1 ASP 148.A OD2 no hydrogen 3.166 N/A ARG 279.A NH2 ASP 148.A OD2 no hydrogen 2.747 N/A ARG 279.A NH2 GLU 150.A OE1 no hydrogen 3.011 N/A GLU 280.A N LYS 275.A O no hydrogen 3.051 N/A