Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6pug_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NH1.A ARG 179.A O no hydrogen 3.375 N/A ARG 2.A NH1.A THR 180.A OG1 no hydrogen 2.987 N/A ARG 2.A NH1.A SER 255.A OG.A no hydrogen 2.941 N/A ARG 2.A NH1.B ARG 179.A O no hydrogen 2.954 N/A ARG 2.A NH2.A LEU 177.A O no hydrogen 3.188 N/A ARG 2.A NH2.A ARG 179.A O no hydrogen 2.801 N/A ARG 2.A NH2.B ARG 179.A O no hydrogen 3.235 N/A ARG 2.A NH2.B SER 255.A OG.A no hydrogen 3.069 N/A HIS 4.A N LEU 101.A O no hydrogen 3.051 N/A HIS 4.A ND1 ASP 30.A OD2 no hydrogen 2.590 N/A SER 5.A N ASP 30.A OD1 no hydrogen 2.875 N/A LEU 6.A N CYS 99.A O no hydrogen 2.959 N/A ARG 7.A N TYR 28.A O no hydrogen 2.947 N/A ARG 7.A NH2.A SER 5.A OG no hydrogen 3.362 N/A TYR 8.A N ILE 97.A O no hydrogen 2.854 N/A PHE 9.A N VAL 26.A O no hydrogen 2.847 N/A ARG 10.A N ARG 95.A O no hydrogen 2.908 N/A LEU 11.A N ILE 24.A O no hydrogen 2.843 N/A GLY 12.A N TYR 93.A O no hydrogen 2.746 N/A VAL 13.A N GLU 22.A O no hydrogen 2.932 N/A SER 14.A N HIS 91.A O no hydrogen 2.877 N/A SER 14.A OG GLN 82.A OE1 no hydrogen 2.800 N/A SER 14.A OG GLY 89.A O no hydrogen 3.255 N/A SER 14.A OG HIS 91.A O no hydrogen 3.405 N/A ASP 15.A N SER 90.A OG no hydrogen 3.315 N/A VAL 20.A N ILE 17.A O no hydrogen 3.151 N/A PHE 23.A N SER 39.A OG no hydrogen 3.190 N/A ILE 24.A N LEU 11.A O no hydrogen 2.925 N/A SER 25.A N TYR 37.A O no hydrogen 2.825 N/A SER 25.A OG PHE 9.A O no hydrogen 2.889 N/A VAL 26.A N PHE 9.A O no hydrogen 3.091 N/A GLY 27.A N THR 35.A O no hydrogen 3.086 N/A TYR 28.A N ARG 7.A O no hydrogen 2.737 N/A VAL 29.A N HIS 32.A O no hydrogen 2.899 N/A ASP 30.A N SER 5.A O no hydrogen 2.916 N/A SER 31.A OG.B TYR 232.A OH no hydrogen 3.382 N/A HIS 32.A N VAL 29.A O no hydrogen 2.894 N/A HIS 32.A NE2 TYR 201.A OH no hydrogen 2.587 N/A ILE 34.A N GLY 27.A O no hydrogen 2.840 N/A THR 36.A N GLU 45.A O no hydrogen 2.868 N/A TYR 37.A N SER 25.A O no hydrogen 2.924 N/A TYR 37.A OH GLN 71.A OE1 no hydrogen 2.711 N/A SER 39.A N PHE 23.A O no hydrogen 2.902 N/A SER 39.A OG PHE 23.A O no hydrogen 3.372 N/A VAL 40.A N ASP 38.A OD1 no hydrogen 2.722 N/A THR 41.A N ASP 38.A OD1 no hydrogen 2.858 N/A THR 41.A OG1 ASP 38.A O no hydrogen 3.536 N/A THR 41.A OG1 GLN 43.A O no hydrogen 3.431 N/A ARG 42.A N ASP 38.A O no hydrogen 2.842 N/A GLN 43.A N THR 41.A OG1 no hydrogen 3.313 N/A LYS 44.A N THR 64.A OG1 no hydrogen 2.898 N/A LYS 44.A NZ HIS 59.A NE2 no hydrogen 3.376 N/A GLU 45.A N THR 36.A O no hydrogen 2.840 N/A ARG 47.A N ILE 34.A O no hydrogen 2.848 N/A ARG 47.A NE.A PRO 46.A O no hydrogen 3.256 N/A MET 51.A N ALA 48.A O no hydrogen 2.993 N/A ALA 52.A N ALA 48.A O no hydrogen 3.152 N/A GLU 53.A N PRO 49.A O no hydrogen 2.892 N/A ASN 54.A N MET 51.A O no hydrogen 3.272 N/A ASN 54.A ND2 TRP 50.A O no hydrogen 2.797 N/A LEU 55.A N MET 51.A O no hydrogen 3.148 N/A HIS 59.A N ALA 56.A O no hydrogen 2.950 N/A TRP 60.A NE1 LEU 55.A O no hydrogen 3.140 N/A GLU 61.A N PRO 57.A O no hydrogen 2.945 N/A ARG 62.A N ASP 58.A O no hydrogen 3.087 N/A TYR 63.A N HIS 59.A O no hydrogen 3.066 N/A THR 64.A N TRP 60.A O no hydrogen 2.954 N/A THR 64.A OG1 GLN 43.A OE1 no hydrogen 3.533 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.697 N/A GLN 65.A N GLU 61.A O no hydrogen 3.279 N/A LEU 66.A N ARG 62.A O no hydrogen 3.159 N/A LEU 67.A N TYR 63.A O no hydrogen 2.782 N/A ARG 68.A N THR 64.A O no hydrogen 3.019 N/A ARG 68.A NE ARG 42.A O no hydrogen 2.947 N/A ARG 68.A NH2 ARG 42.A O no hydrogen 2.941 N/A GLY 69.A N GLN 65.A O no hydrogen 3.241 N/A TRP 70.A N LEU 66.A O no hydrogen 2.797 N/A GLN 71.A N LEU 67.A O no hydrogen 2.812 N/A GLN 72.A N ARG 68.A O no hydrogen 3.242 N/A MET 73.A N GLY 69.A O no hydrogen 2.913 N/A PHE 74.A N TRP 70.A O no hydrogen 2.824 N/A LYS 75.A N GLN 71.A O no hydrogen 3.127 N/A VAL 76.A N GLN 72.A O no hydrogen 3.059 N/A GLU 77.A N MET 73.A O no hydrogen 2.979 N/A LEU 78.A N PHE 74.A O no hydrogen 2.927 N/A LYS 79.A N LYS 75.A O no hydrogen 2.888 N/A ARG 80.A N VAL 76.A O no hydrogen 2.987 N/A LEU 81.A N GLU 77.A O no hydrogen 2.946 N/A GLN 82.A N LEU 78.A O no hydrogen 2.947 N/A GLN 82.A NE2 HIS 87.A O no hydrogen 2.939 N/A GLN 82.A NE2 GLY 89.A O no hydrogen 2.840 N/A ARG 83.A N LYS 79.A O no hydrogen 3.052 N/A ARG 83.A NH1 ARG 83.A O no hydrogen 3.156 N/A HIS 84.A N ARG 80.A O no hydrogen 3.025 N/A HIS 84.A ND1 ARG 80.A O no hydrogen 2.883 N/A TYR 85.A N LEU 81.A O no hydrogen 2.781 N/A TYR 85.A OH ASP 134.A OD1 no hydrogen 3.418 N/A TYR 85.A OH ASP 134.A OD2 no hydrogen 2.633 N/A ASN 86.A N ARG 83.A O no hydrogen 3.256 N/A HIS 87.A N GLN 82.A O no hydrogen 3.108 N/A HIS 87.A ND1 TYR 115.A OH no hydrogen 2.870 N/A HIS 91.A N SER 14.A OG no hydrogen 2.792 N/A HIS 91.A ND1 ASP 116.A OD2 no hydrogen 2.822 N/A HIS 91.A NE2 SER 88.A O no hydrogen 2.684 N/A THR 92.A N ASP 116.A OD1 no hydrogen 3.085 N/A TYR 93.A N GLY 12.A O no hydrogen 2.830 N/A TYR 93.A OH GLU 77.A OE1 no hydrogen 2.745 N/A GLN 94.A N ALA 114.A O no hydrogen 2.847 N/A ARG 95.A N ARG 10.A O no hydrogen 3.023 N/A ARG 95.A NE TYR 113.A OH no hydrogen 2.800 N/A MET 96.A N GLN 112.A O no hydrogen 2.956 N/A ILE 97.A N TYR 8.A O no hydrogen 3.025 N/A GLY 98.A N PHE 110.A O no hydrogen 3.000 N/A CYS 99.A N LEU 6.A O no hydrogen 2.971 N/A GLU 100.A N THR 108.A O no hydrogen 3.010 N/A LEU 101.A N HIS 4.A O no hydrogen 2.861 N/A LEU 102.A N SER 106.A O no hydrogen 2.800 N/A GLU 103.A N THR 3.A OG1 no hydrogen 3.403 N/A GLY 105.A N LEU 102.A O no hydrogen 2.876 N/A SER 106.A N ASP 104.A OD1 no hydrogen 2.941 N/A SER 106.A OG ASP 104.A OD1 no hydrogen 2.771 N/A THR 108.A N GLU 100.A O no hydrogen 2.990 N/A THR 108.A OG1 GLU 100.A OE2 no hydrogen 2.793 N/A PHE 110.A N GLY 98.A O no hydrogen 2.917 N/A GLN 112.A N MET 96.A O no hydrogen 2.937 N/A TYR 113.A N LEU 121.A O no hydrogen 2.743 N/A ALA 114.A N GLN 94.A O no hydrogen 2.874 N/A TYR 115.A N GLN 118.A O no hydrogen 2.985 N/A TYR 115.A OH HIS 87.A ND1 no hydrogen 2.870 N/A ASP 116.A N THR 92.A O no hydrogen 2.955 N/A GLN 118.A N TYR 115.A O no hydrogen 3.115 N/A PHE 120.A N TYR 113.A O no hydrogen 2.806 N/A LEU 121.A N TYR 113.A O no hydrogen 3.352 N/A ILE 122.A N LEU 131.A O no hydrogen 3.040 N/A PHE 123.A N LEU 111.A O no hydrogen 2.870 N/A ASN 124.A N SER 129.A O no hydrogen 2.794 N/A LYS 125.A NZ GLU 159.A OE2 no hydrogen 2.753 N/A ASP 126.A N ASN 124.A OD1 no hydrogen 2.929 N/A THR 127.A N ASN 124.A OD1 no hydrogen 3.007 N/A THR 127.A OG1 SER 129.A OG no hydrogen 2.683 N/A SER 129.A N ASN 124.A O no hydrogen 3.134 N/A SER 129.A OG THR 127.A OG1 no hydrogen 2.683 N/A TRP 130.A N GLU 145.A OE2 no hydrogen 2.778 N/A LEU 131.A N ILE 122.A O no hydrogen 2.852 N/A VAL 133.A N PHE 120.A O no hydrogen 3.282 N/A ALA 137.A N ASP 134.A OD1 no hydrogen 2.893 N/A HIS 138.A N ASP 134.A O no hydrogen 2.868 N/A THR 139.A N ASN 135.A O no hydrogen 3.241 N/A THR 139.A OG1 ASN 135.A O no hydrogen 3.273 N/A ILE 140.A N VAL 136.A O no hydrogen 3.241 N/A LYS 141.A N ALA 137.A O no hydrogen 2.775 N/A LYS 141.A NZ TRP 130.A O no hydrogen 2.629 N/A LYS 141.A NZ GLU 145.A OE1 no hydrogen 3.407 N/A LYS 141.A NZ GLU 145.A OE2 no hydrogen 2.675 N/A GLN 142.A N HIS 138.A O no hydrogen 3.038 N/A ALA 143.A N THR 139.A O no hydrogen 3.254 N/A TRP 144.A N ILE 140.A O no hydrogen 2.790 N/A GLU 145.A N LYS 141.A O no hydrogen 2.738 N/A ALA 146.A N ALA 143.A O no hydrogen 3.355 N/A ASN 147.A N TRP 144.A O no hydrogen 3.286 N/A GLN 148.A NE2 GLU 145.A O no hydrogen 2.532 N/A GLU 150.A N ASN 147.A O no hydrogen 3.042 N/A LEU 152.A N GLN 148.A O no hydrogen 3.104 N/A TYR 153.A N HIS 149.A O no hydrogen 2.863 N/A GLN 154.A N GLU 150.A O no hydrogen 3.089 N/A LYS 155.A N LEU 151.A O no hydrogen 3.101 N/A LYS 155.A NZ LYS 125.A O no hydrogen 2.928 N/A LYS 155.A NZ GLU 159.A OE1 no hydrogen 3.516 N/A LYS 155.A NZ GLU 159.A OE2 no hydrogen 2.765 N/A ASN 156.A N LEU 152.A O no hydrogen 3.009 N/A TRP 157.A N TYR 153.A O no hydrogen 2.900 N/A LEU 158.A N GLN 154.A O no hydrogen 2.870 N/A GLU 159.A N LYS 155.A O no hydrogen 2.928 N/A GLU 160.A N ASN 156.A O no hydrogen 2.906 N/A GLU 161.A N ASN 156.A O no hydrogen 3.405 N/A CYS 162.A N TRP 157.A O no hydrogen 2.753 N/A ALA 164.A N GLU 160.A O no hydrogen 3.085 N/A TRP 165.A N GLU 161.A O no hydrogen 2.907 N/A LEU 166.A N CYS 162.A O no hydrogen 2.928 N/A LYS 167.A N ILE 163.A O no hydrogen 2.912 N/A ARG 168.A N ALA 164.A O no hydrogen 3.072 N/A ARG 168.A NE TYR 172.A OH no hydrogen 2.754 N/A PHE 169.A N TRP 165.A O no hydrogen 2.886 N/A LEU 170.A N LEU 166.A O no hydrogen 2.812 N/A GLU 171.A N LYS 167.A O no hydrogen 3.153 N/A TYR 172.A N ARG 168.A O no hydrogen 3.084 N/A GLY 173.A N PHE 169.A O no hydrogen 2.862 N/A LYS 174.A N GLU 171.A O no hydrogen 3.261 N/A LYS 174.A NZ GLU 171.A OE1 no hydrogen 3.029 N/A THR 176.A N GLY 173.A O no hydrogen 2.872 N/A LEU 177.A N GLY 173.A O no hydrogen 2.765 N/A GLN 178.A N LYS 174.A O no hydrogen 2.907 N/A GLN 178.A NE2 LEU 170.A O no hydrogen 3.052 N/A ARG 179.A NE GLU 181.A OE2 no hydrogen 2.846 N/A ARG 179.A NH1 THR 176.A O no hydrogen 2.978 N/A ARG 179.A NH2 GLU 181.A OE2 no hydrogen 3.075 N/A ARG 179.A NH2 GLY 230.A O no hydrogen 3.102 N/A GLU 181.A N TYR 201.A O no hydrogen 2.843 N/A LEU 184.A N HIS 198.A O no hydrogen 2.913 N/A ARG 186.A N LYS 196.A O no hydrogen 2.943 N/A ASN 188.A N PHE 194.A O no hydrogen 2.798 N/A LYS 190.A N ALA 192.A O no hydrogen 2.847 N/A ALA 192.A N LYS 190.A O no hydrogen 2.905 N/A LEU 193.A N ILE 238.A O no hydrogen 2.776 N/A PHE 194.A N ASN 188.A O no hydrogen 2.859 N/A CYS 195.A N ALA 236.A O no hydrogen 2.800 N/A LYS 196.A N ARG 186.A O no hydrogen 2.795 N/A ALA 197.A N ALA 234.A O no hydrogen 2.802 N/A HIS 198.A N LEU 184.A O no hydrogen 2.953 N/A PHE 200.A N TYR 232.A O no hydrogen 3.326 N/A TYR 201.A N GLU 181.A O no hydrogen 2.888 N/A TYR 201.A OH HIS 32.A NE2 no hydrogen 2.587 N/A TYR 206.A N GLU 253.A O no hydrogen 3.009 N/A THR 208.A N HIS 251.A O no hydrogen 2.919 N/A THR 208.A OG1 GLU 215.A OE2 no hydrogen 3.031 N/A THR 208.A OG1 TYR 221.A OH no hydrogen 3.312 N/A TRP 209.A NE1 ALA 236.A O no hydrogen 3.062 N/A MET 210.A N SER 249.A O no hydrogen 2.944 N/A LYS 211.A N GLU 214.A O no hydrogen 2.745 N/A ASN 212.A N LEU 247.A O no hydrogen 2.589 N/A ASN 212.A ND2 ASN 246.A OD1 no hydrogen 3.171 N/A GLU 214.A N LYS 211.A O no hydrogen 2.847 N/A ILE 216.A N TRP 209.A O no hydrogen 3.238 N/A ASP 220.A N SER 237.A O no hydrogen 2.882 N/A TYR 221.A OH THR 208.A OG1 no hydrogen 3.312 N/A GLY 222.A N TRP 235.A O no hydrogen 2.729 N/A LEU 225.A N GLN 233.A O no hydrogen 2.894 N/A SER 227.A N THR 231.A O no hydrogen 2.986 N/A THR 231.A N ASP 229.A OD1 no hydrogen 3.065 N/A THR 231.A OG1 ASP 229.A OD1 no hydrogen 2.681 N/A THR 231.A OG1 ASP 229.A OD2 no hydrogen 3.407 N/A TYR 232.A N PHE 200.A O no hydrogen 2.926 N/A TYR 232.A OH SER 31.A OG.B no hydrogen 3.382 N/A GLN 233.A N LEU 225.A O no hydrogen 2.917 N/A GLN 233.A NE2 SER 227.A OG no hydrogen 2.949 N/A ALA 234.A N ALA 197.A O no hydrogen 2.843 N/A ALA 236.A N CYS 195.A O no hydrogen 2.966 N/A SER 237.A N ASP 220.A O no hydrogen 2.758 N/A ILE 238.A N LEU 193.A O no hydrogen 2.966 N/A LEU 240.A N THR 191.A O no hydrogen 2.988 N/A GLN 243.A N ASP 241.A OD1 no hydrogen 3.160 N/A SER 244.A OG SER 245.A O no hydrogen 3.208 N/A LEU 247.A N ASN 212.A OD1 no hydrogen 2.842 N/A SER 249.A N MET 210.A O no hydrogen 3.061 N/A SER 249.A OG HIS 251.A NE2 no hydrogen 2.936 N/A CYS 250.A N LEU 261.A O no hydrogen 2.826 N/A CYS 250.A SG.A THR 208.A O no hydrogen 3.675 N/A HIS 251.A N THR 208.A O no hydrogen 2.925 N/A HIS 251.A ND1 HIS 258.A NE2.B no hydrogen 3.075 N/A HIS 251.A NE2 SER 249.A OG no hydrogen 2.936 N/A VAL 252.A N MET 259.A O no hydrogen 2.869 N/A GLU 253.A N TYR 206.A O no hydrogen 2.747 N/A HIS 254.A N VAL 257.A O no hydrogen 2.933 N/A HIS 254.A NE2 PRO 202.A O no hydrogen 2.853 N/A VAL 257.A N HIS 254.A O no hydrogen 2.912 N/A HIS 258.A NE2.B HIS 251.A ND1 no hydrogen 3.075 N/A MET 259.A N VAL 252.A O no hydrogen 2.745 N/A LEU 261.A N CYS 250.A O no hydrogen 2.940 N/A VAL 263.A N TYR 248.A O no hydrogen 3.103 N/A