Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2hhj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A N LEU 220.A O no hydrogen 2.805 N/A LEU 5.A N LEU 218.A O no hydrogen 3.051 N/A ILE 6.A N ILE 181.A O no hydrogen 3.125 N/A MET 7.A N ILE 216.A O no hydrogen 3.025 N/A LEU 8.A N ILE 183.A O no hydrogen 3.011 N/A ARG 9.A NH1 LEU 210.A O no hydrogen 2.931 N/A GLY 10.A N THR 64.A OG1 no hydrogen 3.111 N/A GLU 11.A N GLU 35.A OE1 no hydrogen 2.951 N/A GLY 12.A N ASN 15.A OD1 no hydrogen 2.907 N/A TRP 14.A N GLN 26.A OE1 no hydrogen 2.977 N/A ASN 15.A N GLY 12.A O no hydrogen 2.995 N/A LYS 16.A N GLY 12.A O no hydrogen 3.127 N/A LYS 16.A NZ GLU 31.A OE2 no hydrogen 2.974 N/A GLU 17.A N ALA 13.A O no hydrogen 2.801 N/A ASN 18.A N ASN 15.A O no hydrogen 3.266 N/A ASN 18.A ND2 GLN 249.A O no hydrogen 3.066 N/A ARG 19.A N TRP 14.A O no hydrogen 2.944 N/A ARG 19.A NE GLY 95.A O no hydrogen 2.899 N/A ARG 19.A NH2 GLY 95.A O no hydrogen 3.105 N/A ARG 19.A NH2 TYR 130.A OH no hydrogen 3.160 N/A PHE 20.A N LEU 96.A O no hydrogen 2.936 N/A CYS 21.A SG VAL 24.A O no hydrogen 3.268 N/A SER 22.A OG ARG 88.A O no hydrogen 2.674 N/A TRP 23.A NE1 GLU 87.A O no hydrogen 2.799 N/A VAL 24.A N CYS 21.A O no hydrogen 3.016 N/A GLN 26.A N VAL 24.A O no hydrogen 2.958 N/A GLN 26.A NE2 ASN 15.A OD1 no hydrogen 3.239 N/A ASN 29.A N GLU 11.A O no hydrogen 3.077 N/A ASN 29.A ND2 GLU 11.A OE2 no hydrogen 3.041 N/A SER 30.A OG.B GLU 31.A OE1 no hydrogen 2.891 N/A GLU 31.A N GLU 31.A OE1 no hydrogen 2.769 N/A GLY 32.A N ASN 29.A OD1 no hydrogen 2.767 N/A MET 33.A N ASN 29.A O no hydrogen 3.029 N/A GLU 34.A N SER 30.A O no hydrogen 3.183 N/A GLU 35.A N GLU 31.A O no hydrogen 2.923 N/A ALA 36.A N GLY 32.A O no hydrogen 2.992 N/A ARG 37.A N MET 33.A O no hydrogen 2.970 N/A ARG 37.A NH1 GLU 71.A OE2 no hydrogen 2.635 N/A ARG 37.A NH2 GLU 70.A OE2 no hydrogen 3.400 N/A ASN 38.A N GLU 34.A O no hydrogen 2.841 N/A CYS 39.A N GLU 35.A O no hydrogen 3.015 N/A CYS 39.A SG GLU 35.A O no hydrogen 3.409 N/A CYS 39.A SG GLY 213.A O no hydrogen 3.177 N/A GLY 40.A N ALA 36.A O no hydrogen 3.045 N/A LYS 41.A N ARG 37.A O no hydrogen 2.933 N/A GLN 42.A N ASN 38.A O no hydrogen 2.964 N/A GLN 42.A NE2 LEU 233.A O no hydrogen 3.203 N/A LEU 43.A N CYS 39.A O no hydrogen 3.003 N/A LYS 44.A N GLY 40.A O no hydrogen 2.896 N/A ALA 45.A N LYS 41.A O no hydrogen 2.991 N/A LEU 46.A N GLN 42.A O no hydrogen 3.179 N/A ASN 47.A N LYS 44.A O no hydrogen 2.867 N/A PHE 48.A N LEU 43.A O no hydrogen 2.977 N/A PHE 50.A N GLN 74.A OE1 no hydrogen 2.968 N/A ASP 51.A N THR 180.A O no hydrogen 2.842 N/A LEU 52.A N THR 180.A O no hydrogen 3.474 N/A VAL 53.A N PRO 78.A O no hydrogen 2.938 N/A PHE 54.A N LEU 182.A O no hydrogen 2.865 N/A THR 55.A N GLU 80.A O no hydrogen 2.860 N/A THR 55.A OG1 SER 56.A O no hydrogen 2.747 N/A THR 55.A OG1 SER 81.A OG no hydrogen 2.735 N/A SER 56.A N SER 61.A OG no hydrogen 3.051 N/A SER 56.A OG LEU 58.A O no hydrogen 3.544 N/A SER 56.A OG SER 61.A OG no hydrogen 2.815 N/A SER 56.A OG HIS 186.A NE2 no hydrogen 2.785 N/A VAL 57.A N ASN 86.A OD1 no hydrogen 3.102 N/A LEU 58.A N SER 56.A OG no hydrogen 3.052 N/A ASN 59.A N ASP 25.A OD2 no hydrogen 2.780 N/A ARG 60.A NH1 SER 22.A O no hydrogen 3.534 N/A ARG 60.A NH1 VAL 24.A O no hydrogen 2.942 N/A ARG 60.A NH2 SER 22.A O no hydrogen 2.734 N/A SER 61.A N LEU 58.A O no hydrogen 3.052 N/A SER 61.A OG SER 56.A OG no hydrogen 2.815 N/A SER 61.A OG LEU 58.A O no hydrogen 3.116 N/A HIS 63.A N ASN 59.A O no hydrogen 2.819 N/A THR 64.A N ARG 60.A O no hydrogen 3.217 N/A THR 64.A OG1 ARG 60.A O no hydrogen 2.767 N/A ALA 65.A N SER 61.A O no hydrogen 3.167 N/A TRP 66.A N ILE 62.A O no hydrogen 2.881 N/A LEU 67.A N HIS 63.A O no hydrogen 2.979 N/A ILE 68.A N THR 64.A O no hydrogen 3.096 N/A LEU 69.A N ALA 65.A O no hydrogen 2.859 N/A GLU 70.A N TRP 66.A O no hydrogen 2.957 N/A GLU 71.A N LEU 67.A O no hydrogen 3.081 N/A LEU 72.A N ILE 68.A O no hydrogen 3.093 N/A GLY 73.A N GLU 70.A O no hydrogen 3.051 N/A GLN 74.A N LEU 69.A O no hydrogen 2.836 N/A GLN 74.A NE2 PHE 48.A O no hydrogen 2.899 N/A GLU 75.A N GLU 75.A OE1 no hydrogen 2.821 N/A VAL 77.A N GLN 74.A O no hydrogen 3.013 N/A GLU 80.A N VAL 53.A O no hydrogen 2.883 N/A SER 81.A OG THR 55.A OG1 no hydrogen 2.735 N/A SER 82.A N THR 55.A O no hydrogen 2.951 N/A TRP 83.A NE1 ASP 144.A OD1 no hydrogen 2.898 N/A ARG 84.A N SER 82.A OG no hydrogen 2.992 N/A ARG 84.A NE ASP 144.A OD2 no hydrogen 2.812 N/A ARG 84.A NH1 ARG 162.A O no hydrogen 2.878 N/A ARG 84.A NH2 ASP 144.A OD1 no hydrogen 3.175 N/A ARG 84.A NH2 ASP 144.A OD2 no hydrogen 3.256 N/A LEU 85.A N SER 82.A O no hydrogen 3.084 N/A ASN 86.A N TRP 83.A O no hydrogen 2.887 N/A ASN 86.A ND2 TYR 140.A OH no hydrogen 3.080 N/A ARG 88.A N GLU 87.A OE1 no hydrogen 2.705 N/A ARG 88.A NH1 GLU 154.A O no hydrogen 2.971 N/A ARG 88.A NH2 TYR 90.A OH no hydrogen 3.085 N/A HIS 89.A N GLU 154.A OE2 no hydrogen 2.892 N/A HIS 89.A NE2 TYR 135.A OH no hydrogen 2.747 N/A TYR 90.A N SER 22.A OG no hydrogen 2.953 N/A GLY 91.A N HIS 89.A ND1 no hydrogen 2.973 N/A ALA 92.A N PRO 122.A O no hydrogen 2.823 N/A LEU 93.A N TYR 90.A O no hydrogen 3.043 N/A ILE 94.A N GLY 91.A O no hydrogen 3.153 N/A GLY 95.A N PHE 20.A O no hydrogen 2.747 N/A LEU 96.A N LEU 93.A O no hydrogen 3.006 N/A ARG 98.A N ASN 18.A O no hydrogen 2.945 N/A ARG 98.A NH1 ASN 18.A OD1 no hydrogen 2.989 N/A GLN 100.A N ASN 97.A OD1 no hydrogen 2.918 N/A GLN 100.A NE2 GLN 100.A O no hydrogen 3.656 N/A GLN 100.A NE2 ASN 104.A OD1 no hydrogen 3.001 N/A MET 101.A N ASN 97.A O no hydrogen 2.986 N/A ALA 102.A N ARG 98.A O no hydrogen 3.104 N/A LEU 103.A N GLU 99.A O no hydrogen 2.958 N/A ASN 104.A N GLN 100.A O no hydrogen 2.847 N/A HIS 105.A N MET 101.A O no hydrogen 2.713 N/A GLY 106.A N ALA 102.A O no hydrogen 2.716 N/A VAL 110.A N GLY 106.A O no hydrogen 3.278 N/A ARG 111.A N GLU 107.A O no hydrogen 2.913 N/A ARG 111.A NH2 ASN 207.A OD1 no hydrogen 3.092 N/A LEU 112.A N GLU 108.A O no hydrogen 3.055 N/A TRP 113.A N GLN 109.A O no hydrogen 2.928 N/A ARG 114.A N VAL 110.A O no hydrogen 2.900 N/A ARG 114.A NH1 VAL 246.A O no hydrogen 3.101 N/A ARG 114.A NH2 VAL 246.A O no hydrogen 2.974 N/A ARG 115.A N ARG 111.A O no hydrogen 2.905 N/A ARG 115.A NE THR 209.A OG1 no hydrogen 3.362 N/A ARG 115.A NH1 ARG 114.A O no hydrogen 2.965 N/A SER 116.A N LEU 112.A O no hydrogen 3.077 N/A SER 116.A OG LEU 112.A O no hydrogen 2.559 N/A VAL 119.A N SER 116.A OG no hydrogen 3.279 N/A ILE 124.A N ARG 152.A O no hydrogen 2.975 N/A HIS 128.A N GLU 125.A O no hydrogen 2.823 N/A TYR 130.A N HIS 128.A ND1 no hydrogen 3.080 N/A TYR 131.A N HIS 128.A O no hydrogen 3.129 N/A ILE 134.A N TYR 131.A O no hydrogen 3.167 N/A TYR 135.A N TYR 131.A O no hydrogen 3.064 N/A TYR 135.A OH HIS 89.A NE2 no hydrogen 2.747 N/A TYR 135.A OH PRO 151.A O no hydrogen 2.679 N/A ASN 136.A N GLN 132.A O no hydrogen 2.827 N/A ASP 137.A N ILE 134.A O no hydrogen 3.435 N/A ARG 139.A N ASP 137.A OD1 no hydrogen 2.847 N/A ARG 139.A NE ASP 137.A OD1 no hydrogen 2.858 N/A ARG 139.A NH1 ASP 25.A OD1 no hydrogen 2.973 N/A ARG 139.A NH1 VAL 57.A O no hydrogen 2.748 N/A ARG 139.A NH2 ASP 25.A OD1 no hydrogen 3.172 N/A ARG 139.A NH2 ASP 137.A OD2 no hydrogen 2.922 N/A TYR 140.A N ASP 137.A O no hydrogen 3.061 N/A LYS 141.A N ARG 138.A O no hydrogen 2.929 N/A CYS 143.A SG ARG 139.A O no hydrogen 3.331 N/A GLN 149.A N PRO 146.A O no hydrogen 2.828 N/A LEU 150.A N LEU 147.A O no hydrogen 3.249 N/A ARG 152.A NH1 LEU 147.A O no hydrogen 3.109 N/A ARG 152.A NH1 LEU 150.A O no hydrogen 2.814 N/A ARG 152.A NH2 TYR 131.A OH no hydrogen 3.144 N/A SER 153.A OG PRO 121.A O no hydrogen 3.028 N/A GLU 154.A N HIS 89.A O no hydrogen 2.875 N/A SER 155.A N ASP 158.A OD2 no hydrogen 2.936 N/A LYS 157.A N TYR 117.A O no hydrogen 2.951 N/A ASP 158.A N SER 155.A OG no hydrogen 2.980 N/A VAL 159.A N SER 155.A O no hydrogen 3.046 N/A LEU 160.A N LEU 156.A O no hydrogen 2.988 N/A GLU 161.A N LYS 157.A O no hydrogen 2.974 N/A ARG 162.A N ASP 158.A O no hydrogen 3.243 N/A ARG 162.A N VAL 159.A O no hydrogen 3.102 N/A ARG 162.A NE GLU 154.A OE1 no hydrogen 2.814 N/A ARG 162.A NH1 ARG 84.A O no hydrogen 2.833 N/A ARG 162.A NH1 ASN 86.A O no hydrogen 2.913 N/A ARG 162.A NH2 ASN 86.A O no hydrogen 3.020 N/A ARG 162.A NH2 GLU 87.A O no hydrogen 3.221 N/A ARG 162.A NH2 GLU 154.A OE1 no hydrogen 3.490 N/A ARG 162.A NH2 GLU 154.A OE2 no hydrogen 2.809 N/A LEU 163.A N VAL 159.A O no hydrogen 2.862 N/A LEU 163.A N LEU 160.A O no hydrogen 3.223 N/A LEU 164.A N LEU 160.A O no hydrogen 2.749 N/A TYR 166.A OH GLU 80.A OE1 no hydrogen 2.662 N/A TRP 167.A N LEU 163.A O no hydrogen 2.994 N/A ASN 168.A N LEU 164.A O no hydrogen 2.867 N/A GLU 169.A N PRO 165.A O no hydrogen 2.884 N/A ARG 170.A N TYR 166.A O no hydrogen 2.912 N/A ARG 170.A NE GLU 80.A OE1 no hydrogen 2.712 N/A ARG 170.A NH2 GLU 80.A OE1 no hydrogen 3.532 N/A ARG 170.A NH2 GLU 80.A OE2 no hydrogen 2.919 N/A ILE 171.A N TRP 167.A O no hydrogen 3.111 N/A ALA 172.A N TRP 167.A O no hydrogen 2.717 N/A GLU 174.A N ILE 171.A O no hydrogen 2.968 N/A VAL 175.A N ILE 171.A O no hydrogen 3.198 N/A LEU 176.A N ALA 172.A O no hydrogen 2.943 N/A ARG 177.A N GLU 174.A O no hydrogen 3.059 N/A ARG 177.A NE GLU 174.A OE2 no hydrogen 3.157 N/A GLY 178.A N VAL 175.A O no hydrogen 2.945 N/A LYS 179.A N GLU 174.A O no hydrogen 3.046 N/A THR 180.A N ASP 51.A OD1 no hydrogen 2.807 N/A LEU 182.A N LEU 52.A O no hydrogen 3.163 N/A ILE 183.A N ILE 6.A O no hydrogen 2.846 N/A SER 184.A N PHE 54.A O no hydrogen 2.872 N/A SER 184.A OG SER 61.A O no hydrogen 2.724 N/A ALA 185.A N LEU 8.A O no hydrogen 2.950 N/A HIS 186.A N SER 189.A OG no hydrogen 3.304 N/A HIS 186.A NE2 SER 56.A OG no hydrogen 2.785 N/A ASN 188.A N GLU 87.A OE2 no hydrogen 2.852 N/A SER 189.A N GLU 87.A OE1 no hydrogen 2.957 N/A SER 189.A OG LEU 85.A O no hydrogen 3.027 N/A SER 190.A N HIS 186.A O no hydrogen 2.997 N/A SER 190.A OG HIS 186.A O no hydrogen 2.760 N/A ARG 191.A N GLY 187.A O no hydrogen 3.013 N/A ARG 191.A NE ILE 208.A O no hydrogen 2.734 N/A ARG 191.A NH1 ASN 188.A OD1 no hydrogen 2.869 N/A ARG 191.A NH2 ARG 115.A O no hydrogen 2.856 N/A ARG 191.A NH2 ILE 205.A O no hydrogen 2.836 N/A ALA 192.A N ASN 188.A O no hydrogen 2.903 N/A LEU 193.A N SER 189.A O no hydrogen 3.213 N/A LEU 194.A N SER 190.A O no hydrogen 2.899 N/A LYS 195.A N ARG 191.A O no hydrogen 2.871 N/A LYS 195.A NZ ILE 200.A O no hydrogen 2.816 N/A LYS 195.A NZ ASP 202.A OD1 no hydrogen 2.698 N/A HIS 196.A N ALA 192.A O no hydrogen 3.222 N/A LEU 197.A N LEU 193.A O no hydrogen 2.922 N/A GLU 198.A N LEU 194.A O no hydrogen 2.878 N/A GLY 199.A N HIS 196.A O no hydrogen 3.315 N/A ILE 200.A N LYS 195.A O no hydrogen 2.984 N/A SER 201.A OG ASP 204.A OD2 no hydrogen 3.013 N/A ASP 204.A N SER 201.A OG no hydrogen 3.010 N/A ILE 205.A N SER 201.A O no hydrogen 3.162 N/A ASN 207.A N ASP 204.A O no hydrogen 3.178 N/A ILE 208.A N ILE 205.A O no hydrogen 3.129 N/A THR 212.A OG1 GLU 35.A OE1 no hydrogen 2.843 N/A THR 212.A OG1 GLU 35.A OE2 no hydrogen 3.452 N/A GLY 213.A N ARG 9.A O no hydrogen 2.887 N/A ILE 216.A N MET 7.A O no hydrogen 2.736 N/A LEU 217.A N GLN 231.A O no hydrogen 2.704 N/A LEU 218.A N LEU 5.A O no hydrogen 3.327 N/A LEU 220.A N TYR 3.A O no hydrogen 2.646 N/A ASP 221.A N ARG 225.A O no hydrogen 2.866 N/A ASN 223.A N ASP 221.A OD1 no hydrogen 2.772 N/A LEU 224.A N ASP 221.A O no hydrogen 2.866 N/A ARG 225.A N ASP 221.A OD1 no hydrogen 3.065 N/A ARG 225.A NH1 HIS 196.A O no hydrogen 2.604 N/A ALA 226.A N LEU 197.A O no hydrogen 2.813 N/A VAL 227.A N GLU 219.A O no hydrogen 2.859 N/A HIS 230.A N GLU 198.A OE1 no hydrogen 3.356 N/A HIS 230.A ND1 GLU 198.A OE1 no hydrogen 2.537 N/A GLN 231.A N LEU 217.A O no hydrogen 2.916 N/A LEU 233.A N PRO 215.A O no hydrogen 2.933 N/A GLN 236.A NE2 PHE 232.A O no hydrogen 2.993 N/A GLN 236.A NE2 GLY 234.A O no hydrogen 2.914 N/A ALA 238.A N ASP 235.A OD1 no hydrogen 2.842 N/A ILE 239.A N ASP 235.A O no hydrogen 2.875 N/A GLN 240.A N GLN 236.A O no hydrogen 2.874 N/A ALA 241.A N GLU 237.A O no hydrogen 2.939 N/A ALA 242.A N ALA 238.A O no hydrogen 2.953 N/A ILE 243.A N ILE 239.A O no hydrogen 2.928 N/A LYS 244.A N GLN 240.A O no hydrogen 2.930 N/A LYS 244.A NZ ASP 248.A OD2 no hydrogen 2.772 N/A LYS 245.A N ALA 241.A O no hydrogen 2.978 N/A VAL 246.A N ALA 242.A O no hydrogen 3.047 N/A GLU 247.A N ILE 243.A O no hydrogen 3.003 N/A ASP 248.A N LYS 244.A O no hydrogen 2.789 N/A GLN 249.A N VAL 246.A O no hydrogen 3.192 N/A GLY 250.A N GLU 247.A O no hydrogen 3.220 N/A LYS 251.A N ASP 248.A O no hydrogen 3.080 N/A VAL 252.A N GLU 107.A OE2 no hydrogen 2.873 N/A GLN 254.A NE2 VAL 252.A O no hydrogen 3.517 N/A