Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6q3k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N HIS 4.A NE2 no hydrogen 3.096 N/A SER 3.A OG VAL 104.A O no hydrogen 3.243 N/A HIS 4.A N VAL 104.A O no hydrogen 3.063 N/A HIS 4.A ND1 ASP 30.A OD2 no hydrogen 2.653 N/A SER 5.A N ASP 30.A OD1 no hydrogen 2.896 N/A MET 6.A N CYS 102.A O no hydrogen 2.976 N/A ARG 7.A N TYR 28.A O no hydrogen 2.971 N/A ARG 7.A NE TYR 114.A OH no hydrogen 2.874 N/A TYR 8.A N TYR 100.A O no hydrogen 2.916 N/A PHE 9.A N VAL 26.A O no hydrogen 2.864 N/A PHE 10.A N ARG 98.A O no hydrogen 2.872 N/A THR 11.A N ILE 24.A O no hydrogen 2.910 N/A SER 12.A N VAL 96.A O no hydrogen 2.918 N/A SER 12.A OG HIS 75.A ND1 no hydrogen 3.041 N/A VAL 13.A N ARG 22.A O no hydrogen 2.836 N/A SER 14.A N HIS 94.A O no hydrogen 2.846 N/A SER 14.A OG HIS 94.A O no hydrogen 3.443 N/A ARG 15.A NH2 ASP 40.A OD1 no hydrogen 3.098 N/A ARG 22.A N VAL 13.A O no hydrogen 2.928 N/A ARG 22.A NE ASP 38.A OD1 no hydrogen 2.858 N/A ARG 22.A NH2 ASP 38.A OD1 no hydrogen 3.535 N/A ARG 22.A NH2 ASP 38.A OD2 no hydrogen 2.865 N/A PHE 23.A N SER 39.A OG no hydrogen 2.902 N/A ILE 24.A N THR 11.A O no hydrogen 2.923 N/A ALA 25.A N PHE 37.A O no hydrogen 2.847 N/A VAL 26.A N PHE 9.A O no hydrogen 2.894 N/A GLY 27.A N VAL 35.A O no hydrogen 3.069 N/A TYR 28.A N ARG 7.A O no hydrogen 2.777 N/A VAL 29.A N THR 32.A O no hydrogen 2.978 N/A ASP 30.A N SER 5.A O no hydrogen 2.877 N/A ASP 31.A N TYR 210.A OH no hydrogen 3.325 N/A THR 32.A N VAL 29.A O no hydrogen 2.866 N/A THR 32.A OG1 TYR 210.A OH no hydrogen 2.841 N/A GLN 33.A NE2 VAL 35.A O no hydrogen 3.423 N/A PHE 34.A N GLY 27.A O no hydrogen 2.836 N/A ARG 36.A N GLU 47.A O no hydrogen 2.991 N/A ARG 36.A NH1 GLU 47.A OE2 no hydrogen 3.080 N/A PHE 37.A N ALA 25.A O no hydrogen 2.863 N/A SER 39.A N PHE 23.A O no hydrogen 2.881 N/A SER 39.A OG PHE 23.A O no hydrogen 3.407 N/A ASP 40.A N ASP 38.A OD1 no hydrogen 2.864 N/A ALA 41.A N ASP 38.A O no hydrogen 2.981 N/A SER 43.A OG ARG 45.A O no hydrogen 3.437 N/A SER 43.A OG GLU 47.A OE2 no hydrogen 3.141 N/A ARG 45.A N SER 43.A OG no hydrogen 3.028 N/A ARG 45.A NH1 ASP 62.A OD1 no hydrogen 3.423 N/A ARG 45.A NH2 ASP 62.A OD1 no hydrogen 2.944 N/A MET 46.A N THR 65.A OG1 no hydrogen 2.950 N/A GLU 47.A N ARG 36.A O no hydrogen 2.864 N/A ARG 49.A N PHE 34.A O no hydrogen 2.742 N/A ARG 49.A NH1 GLU 47.A OE1 no hydrogen 3.402 N/A ARG 49.A NH2 GLU 47.A OE1 no hydrogen 3.433 N/A ARG 49.A NH2 PRO 48.A O no hydrogen 2.937 N/A ILE 53.A N ALA 50.A O no hydrogen 3.157 N/A GLU 54.A N PRO 51.A O no hydrogen 3.229 N/A GLN 55.A NE2 ASN 175.A O no hydrogen 3.621 N/A GLU 56.A N ILE 53.A O no hydrogen 3.051 N/A TYR 60.A OH TYR 172.A OH no hydrogen 2.736 N/A TRP 61.A N GLY 57.A O no hydrogen 3.298 N/A TRP 61.A NE1 GLU 56.A O no hydrogen 3.120 N/A ASP 62.A N PRO 58.A O no hydrogen 2.841 N/A GLY 63.A N GLU 59.A O no hydrogen 3.003 N/A GLU 64.A N TYR 60.A O no hydrogen 2.831 N/A THR 65.A N TRP 61.A O no hydrogen 2.933 N/A THR 65.A OG1 TRP 61.A O no hydrogen 2.999 N/A ARG 66.A N ASP 62.A O no hydrogen 2.938 N/A LYS 67.A N GLY 63.A O no hydrogen 2.985 N/A LYS 67.A NZ GLU 64.A OE2 no hydrogen 2.750 N/A VAL 68.A N GLU 64.A O no hydrogen 2.875 N/A LYS 69.A N THR 65.A O no hydrogen 3.079 N/A LYS 69.A NZ GLN 44.A O no hydrogen 3.358 N/A ALA 70.A N ARG 66.A O no hydrogen 3.020 N/A HIS 71.A N LYS 67.A O no hydrogen 2.859 N/A HIS 71.A ND1 LYS 67.A O no hydrogen 2.791 N/A HIS 71.A NE2 TYR 100.A OH no hydrogen 2.760 N/A SER 72.A N VAL 68.A O no hydrogen 2.967 N/A SER 72.A OG.B LYS 69.A O no hydrogen 2.951 N/A GLN 73.A N LYS 69.A O no hydrogen 2.988 N/A THR 74.A N ALA 70.A O no hydrogen 3.034 N/A THR 74.A OG1 ALA 70.A O no hydrogen 3.395 N/A HIS 75.A N HIS 71.A O no hydrogen 2.981 N/A HIS 75.A ND1 SER 12.A OG no hydrogen 3.041 N/A ARG 76.A N SER 72.A O no hydrogen 2.938 N/A ARG 76.A NE GLN 73.A OE1.A no hydrogen 2.824 N/A VAL 77.A N GLN 73.A O no hydrogen 2.977 N/A ASP 78.A N THR 74.A O no hydrogen 2.864 N/A LEU 79.A N HIS 75.A O no hydrogen 2.925 N/A GLY 80.A N ARG 76.A O no hydrogen 3.380 N/A THR 81.A N VAL 77.A O no hydrogen 2.901 N/A THR 81.A OG1 VAL 77.A O no hydrogen 3.210 N/A LEU 82.A N ASP 78.A O no hydrogen 2.783 N/A ARG 83.A N LEU 79.A O no hydrogen 3.005 N/A ARG 83.A NH1 GLN 88.A O no hydrogen 2.817 N/A GLY 84.A N GLY 80.A O no hydrogen 3.175 N/A CYS 85.A N THR 81.A O no hydrogen 2.925 N/A TYR 86.A N LEU 82.A O no hydrogen 3.036 N/A TYR 86.A OH ASP 138.A OD1 no hydrogen 3.357 N/A TYR 86.A OH ASP 138.A OD2 no hydrogen 2.531 N/A ASN 87.A N GLY 84.A O no hydrogen 3.072 N/A GLN 88.A N ARG 83.A O no hydrogen 2.948 N/A GLU 90.A N GLU 90.A OE1 no hydrogen 2.817 N/A ALA 91.A N SER 89.A OG no hydrogen 3.153 N/A SER 93.A OG SER 14.A O no hydrogen 2.787 N/A HIS 94.A N SER 14.A OG no hydrogen 2.896 N/A HIS 94.A ND1 ASP 120.A OD2 no hydrogen 2.679 N/A THR 95.A N ASP 120.A OD1 no hydrogen 2.957 N/A VAL 96.A N SER 12.A O no hydrogen 2.976 N/A GLN 97.A N ALA 118.A O no hydrogen 2.984 N/A ARG 98.A N PHE 10.A O no hydrogen 2.918 N/A ARG 98.A NE HIS 75.A NE2 no hydrogen 2.965 N/A ARG 98.A NH1 HIS 115.A NE2 no hydrogen 2.932 N/A MET 99.A N GLN 116.A O no hydrogen 2.960 N/A TYR 100.A N TYR 8.A O no hydrogen 3.092 N/A TYR 100.A OH HIS 71.A NE2 no hydrogen 2.760 N/A GLY 101.A N TYR 114.A O no hydrogen 3.034 N/A CYS 102.A N MET 6.A O no hydrogen 3.028 N/A ASP 103.A N ARG 112.A O no hydrogen 2.880 N/A VAL 104.A N HIS 4.A O no hydrogen 2.867 N/A GLY 105.A N ARG 109.A O no hydrogen 3.061 N/A SER 106.A OG GLY 2.A O no hydrogen 2.467 N/A TRP 108.A N GLY 105.A O no hydrogen 2.750 N/A ARG 109.A N ASP 107.A OD1 no hydrogen 3.087 N/A ARG 109.A NE ASP 107.A OD2 no hydrogen 2.632 N/A ARG 109.A NH1 ASP 107.A OD2 no hydrogen 3.369 N/A LEU 111.A N ASP 103.A O no hydrogen 2.872 N/A ARG 112.A N ASP 103.A O no hydrogen 3.416 N/A TYR 114.A N GLY 101.A O no hydrogen 3.023 N/A TYR 114.A OH ASP 103.A OD1 no hydrogen 2.623 N/A GLN 116.A N MET 99.A O no hydrogen 2.802 N/A TYR 117.A N ILE 125.A O no hydrogen 2.987 N/A TYR 117.A OH ASP 78.A OD2 no hydrogen 2.591 N/A ALA 118.A N GLN 97.A O no hydrogen 2.879 N/A TYR 119.A N LYS 122.A O no hydrogen 3.024 N/A TYR 119.A OH GLN 88.A OE1 no hydrogen 2.548 N/A ASP 120.A N THR 95.A O no hydrogen 2.820 N/A LYS 122.A N TYR 119.A O no hydrogen 3.151 N/A TYR 124.A N TYR 117.A O no hydrogen 2.944 N/A TYR 124.A OH THR 144.A OG1 no hydrogen 2.751 N/A ILE 125.A N TYR 117.A O no hydrogen 3.269 N/A ALA 126.A N THR 135.A O no hydrogen 3.014 N/A LEU 127.A N HIS 115.A O no hydrogen 2.938 N/A LYS 128.A N SER 133.A O no hydrogen 2.877 N/A LYS 128.A NZ THR 135.A OG1 no hydrogen 3.146 N/A LEU 131.A N LYS 128.A O no hydrogen 2.890 N/A ARG 132.A N ASP 130.A OD1 no hydrogen 2.855 N/A THR 135.A N ALA 126.A O no hydrogen 2.758 N/A ALA 137.A N TYR 124.A O no hydrogen 2.969 N/A ALA 141.A N ASP 138.A OD1 no hydrogen 2.950 N/A GLN 142.A N ASP 138.A O no hydrogen 2.917 N/A THR 143.A N MET 139.A O no hydrogen 3.228 N/A THR 143.A OG1 MET 139.A O no hydrogen 3.366 N/A THR 144.A N CYS 140.A O.A no hydrogen 3.198 N/A THR 144.A OG1 TYR 124.A OH no hydrogen 2.751 N/A LYS 145.A N ALA 141.A O no hydrogen 2.757 N/A LYS 145.A NZ TRP 134.A O no hydrogen 2.767 N/A HIS 146.A N GLN 142.A O no hydrogen 3.024 N/A HIS 146.A ND1 GLU 149.A OE1 no hydrogen 3.287 N/A LYS 147.A N THR 143.A O no hydrogen 3.080 N/A TRP 148.A N THR 144.A O no hydrogen 2.860 N/A GLU 149.A N LYS 145.A O no hydrogen 2.848 N/A ALA 150.A N HIS 146.A O no hydrogen 3.055 N/A ALA 151.A N LYS 147.A O no hydrogen 3.055 N/A HIS 152.A N GLU 149.A O no hydrogen 3.251 N/A VAL 153.A N TRP 148.A O no hydrogen 2.964 N/A LEU 157.A N VAL 153.A O no hydrogen 3.138 N/A ARG 158.A N ALA 154.A O no hydrogen 2.730 N/A ARG 158.A NH1 LEU 131.A O no hydrogen 2.887 N/A ALA 159.A N GLU 155.A O no hydrogen 3.085 N/A TYR 160.A N GLN 156.A O no hydrogen 3.266 N/A LEU 161.A N LEU 157.A O no hydrogen 2.905 N/A GLU 162.A N ARG 158.A O no hydrogen 2.956 N/A GLY 163.A N TYR 160.A O no hydrogen 3.165 N/A CYS 165.A N TYR 160.A O no hydrogen 2.857 N/A GLU 167.A N GLY 163.A O no hydrogen 2.983 N/A TRP 168.A N THR 164.A O no hydrogen 2.841 N/A LEU 169.A N CYS 165.A O no hydrogen 2.954 N/A ARG 170.A N VAL 166.A O no hydrogen 3.010 N/A ARG 170.A NE TRP 108.A O no hydrogen 2.721 N/A ARG 170.A NH2 TRP 108.A O no hydrogen 2.911 N/A ARG 171.A N GLU 167.A O no hydrogen 3.055 N/A ARG 171.A NE GLU 56.A OE2 no hydrogen 2.906 N/A ARG 171.A NH2 GLU 56.A OE1 no hydrogen 2.882 N/A TYR 172.A N TRP 168.A O no hydrogen 2.892 N/A TYR 172.A OH TYR 60.A OH no hydrogen 2.736 N/A LEU 173.A N LEU 169.A O no hydrogen 2.890 N/A GLU 174.A N ARG 170.A O no hydrogen 3.007 N/A ASN 175.A N ARG 171.A O no hydrogen 2.913 N/A GLY 176.A N TYR 172.A O no hydrogen 2.813 N/A LYS 177.A N GLU 174.A O no hydrogen 3.242 N/A LYS 177.A NZ GLU 174.A OE2 no hydrogen 2.998 N/A GLU 178.A N GLU 178.A OE1 no hydrogen 2.892 N/A THR 179.A N GLY 176.A O no hydrogen 2.978 N/A THR 179.A OG1 GLY 176.A O no hydrogen 3.385 N/A LEU 180.A N GLY 176.A O no hydrogen 2.772 N/A GLN 181.A N LYS 177.A O no hydrogen 3.071 N/A ARG 182.A N THR 179.A O no hydrogen 3.117 N/A ARG 182.A NE ASP 184.A OD1 no hydrogen 2.770 N/A ARG 182.A NH1 ASP 184.A OD1 no hydrogen 3.364 N/A ARG 182.A NH1 ASP 184.A OD2 no hydrogen 3.126 N/A ASP 184.A N TYR 210.A O no hydrogen 2.806 N/A LYS 187.A N LEU 207.A O no hydrogen 2.903 N/A HIS 189.A N TRP 205.A O no hydrogen 3.249 N/A THR 191.A N ARG 203.A O no hydrogen 2.834 N/A HIS 192.A NE2 GLU 255.A OE2 no hydrogen 2.817 N/A HIS 193.A N THR 201.A O no hydrogen 2.920 N/A VAL 195.A N GLU 199.A O no hydrogen 2.862 N/A SER 196.A N GLU 199.A O no hydrogen 3.219 N/A SER 196.A OG GLU 199.A OE2 no hydrogen 2.646 N/A HIS 198.A N SER 196.A OG no hydrogen 3.061 N/A HIS 198.A ND1 ASP 197.A OD1 no hydrogen 2.882 N/A GLU 199.A N SER 196.A OG no hydrogen 3.155 N/A ALA 200.A N VAL 250.A O no hydrogen 2.883 N/A THR 201.A N HIS 193.A O no hydrogen 2.816 N/A LEU 202.A N VAL 248.A O no hydrogen 2.883 N/A ARG 203.A N THR 191.A O no hydrogen 2.904 N/A CYS 204.A N VAL 246.A O no hydrogen 2.770 N/A TRP 205.A N HIS 189.A O no hydrogen 2.840 N/A ALA 206.A N LYS 244.A O no hydrogen 2.869 N/A LEU 207.A N LYS 187.A O no hydrogen 2.925 N/A PHE 209.A N PHE 242.A O no hydrogen 3.181 N/A TYR 210.A N ASP 184.A O no hydrogen 3.007 N/A TYR 210.A OH THR 32.A OG1 no hydrogen 2.841 N/A ALA 212.A N ASP 31.A OD2 no hydrogen 2.797 N/A THR 215.A N GLN 263.A O no hydrogen 3.018 N/A THR 217.A N HIS 261.A O no hydrogen 2.959 N/A TRP 218.A NE1 VAL 246.A O no hydrogen 3.162 N/A GLN 219.A N THR 259.A O no hydrogen 2.771 N/A GLN 219.A NE2.A ASP 224.A OD1 no hydrogen 2.809 N/A GLN 219.A NE2.B ASP 224.A OD1 no hydrogen 2.916 N/A ARG 220.A N GLU 223.A O no hydrogen 2.856 N/A ARG 220.A NH1 GLN 225.A OE1 no hydrogen 2.764 N/A ASP 221.A N ARG 257.A O no hydrogen 3.004 N/A GLU 223.A N ARG 220.A O no hydrogen 3.064 N/A GLN 225.A N TRP 218.A O no hydrogen 2.924 N/A GLN 225.A NE2 GLN 227.A O no hydrogen 2.913 N/A THR 229.A N THR 226.A O no hydrogen 3.314 N/A THR 229.A OG1 THR 226.A O no hydrogen 2.566 N/A GLU 230.A N ALA 247.A O no hydrogen 2.915 N/A VAL 232.A N TRP 245.A O no hydrogen 3.233 N/A ARG 235.A N GLN 243.A O no hydrogen 2.967 N/A ARG 235.A NE GLN 243.A OE1 no hydrogen 2.925 N/A ARG 235.A NH2 GLN 243.A OE1 no hydrogen 3.112 N/A ALA 237.A N THR 241.A O no hydrogen 2.894 N/A THR 241.A N ASP 239.A OD1 no hydrogen 3.066 N/A THR 241.A OG1 ASP 239.A OD1 no hydrogen 2.679 N/A PHE 242.A N PHE 209.A O no hydrogen 2.902 N/A GLN 243.A N ARG 235.A O no hydrogen 2.847 N/A LYS 244.A N ALA 206.A O no hydrogen 2.968 N/A LYS 244.A NZ VAL 232.A O no hydrogen 2.775 N/A LYS 244.A NZ THR 234.A OG1 no hydrogen 2.954 N/A VAL 246.A N CYS 204.A O no hydrogen 2.939 N/A ALA 247.A N GLU 230.A O no hydrogen 2.747 N/A VAL 248.A N LEU 202.A O no hydrogen 2.864 N/A VAL 249.A N ASP 228.A O no hydrogen 3.005 N/A VAL 250.A N ALA 200.A O no hydrogen 2.895 N/A SER 252.A N HIS 198.A O no hydrogen 2.933 N/A GLY 253.A N GLU 255.A OE1 no hydrogen 2.892 N/A GLY 253.A N GLU 255.A OE2 no hydrogen 3.468 N/A GLN 254.A N PRO 251.A O no hydrogen 3.012 N/A GLU 255.A N GLU 255.A OE1 no hydrogen 2.809 N/A ARG 257.A N GLN 254.A O no hydrogen 3.265 N/A ARG 257.A NH2 ASP 221.A OD1 no hydrogen 2.909 N/A ARG 257.A NH2 ASP 221.A OD2 no hydrogen 3.509 N/A TYR 258.A N GLU 255.A O no hydrogen 3.129 N/A THR 259.A N GLN 219.A O no hydrogen 2.918 N/A CYS 260.A N LEU 273.A O no hydrogen 2.951 N/A CYS 260.A SG HIS 261.A O no hydrogen 3.962 N/A HIS 261.A N THR 217.A O no hydrogen 2.796 N/A HIS 261.A ND1 LEU 271.A O no hydrogen 3.275 N/A VAL 262.A N LEU 271.A O no hydrogen 3.002 N/A GLN 263.A N THR 215.A O no hydrogen 2.910 N/A HIS 264.A NE2 PRO 211.A O no hydrogen 2.866 N/A GLY 266.A N HIS 264.A ND1 no hydrogen 2.952 N/A LEU 267.A N HIS 264.A O no hydrogen 2.948 N/A LEU 271.A N VAL 262.A O no hydrogen 2.901 N/A LEU 273.A N CYS 260.A O no hydrogen 2.785 N/A ARG 274.A NH1 GLN 256.A O no hydrogen 2.861 N/A