Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1lug_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG ASN 10.A O no hydrogen 3.233 N/A HIS 2.A NE2 HIS 9.A O no hydrogen 2.908 N/A GLY 5.A N ASN 10.A O no hydrogen 2.905 N/A GLY 7.A N ASN 10.A OD1 no hydrogen 2.841 N/A ASN 10.A N GLY 7.A O no hydrogen 3.337 N/A ASN 10.A ND2 HIS 3.A O no hydrogen 3.125 N/A HIS 14.A N GLY 11.A O no hydrogen 2.760 N/A HIS 14.A NE2 LYS 8.A O no hydrogen 2.981 N/A TRP 15.A N PRO 12.A O no hydrogen 3.464 N/A TRP 15.A NE1 GLY 5.A O no hydrogen 3.006 N/A TRP 15.A NE1 ASN 10.A O no hydrogen 3.113 N/A LYS 17.A N HIS 14.A O no hydrogen 3.130 N/A LYS 17.A NZ HIS 14.A ND1 no hydrogen 2.739 N/A ASP 18.A N TRP 15.A O no hydrogen 3.181 N/A PHE 19.A N TRP 15.A O no hydrogen 2.859 N/A ALA 22.A N PHE 19.A O no hydrogen 2.877 N/A LYS 23.A N PRO 20.A O no hydrogen 3.150 N/A GLY 24.A N ILE 21.A O no hydrogen 2.774 N/A ARG 26.A N GLU 203.A OE2 no hydrogen 2.914 N/A ARG 26.A NE GLY 194.A O no hydrogen 3.130 N/A ARG 26.A NH1 PRO 136.A O no hydrogen 3.018 N/A ARG 26.A NH2 PRO 136.A O no hydrogen 3.287 N/A ARG 26.A NH2 GLY 194.A O no hydrogen 3.008 N/A ARG 26.A NH2 VAL 205.A O no hydrogen 3.166 N/A GLN 27.A NE2 LEU 201.A O no hydrogen 3.083 N/A GLN 27.A NE2 GLU 203.A OE2 no hydrogen 3.046 N/A SER 28.A N SER 195.A OG no hydrogen 2.872 N/A SER 28.A OG TYR 192.A OH no hydrogen 2.766 N/A SER 28.A OG SER 195.A O no hydrogen 3.513 N/A ILE 32.A N THR 107.A O no hydrogen 2.806 N/A THR 34.A N ASP 109.A OD1 no hydrogen 2.834 N/A THR 34.A OG1 ASP 109.A OD1 no hydrogen 3.359 N/A THR 34.A OG1 ASP 109.A OD2 no hydrogen 2.718 N/A THR 36.A N ASP 33.A O no hydrogen 3.173 N/A THR 36.A N ASP 33.A OD2.A no hydrogen 3.103 N/A THR 36.A OG1 ASP 33.A OD1.A no hydrogen 3.104 N/A THR 36.A OG1 ASP 33.A OD1.B no hydrogen 2.787 N/A ALA 37.A N ASP 33.A O no hydrogen 3.030 N/A LYS 38.A N ILE 254.A O no hydrogen 3.227 N/A ASP 40.A N ALA 256.A O no hydrogen 2.974 N/A SER 42.A N ASP 40.A OD1 no hydrogen 2.903 N/A SER 42.A OG ASP 40.A OD1 no hydrogen 2.652 N/A SER 42.A OG ASP 40.A OD2 no hydrogen 3.330 N/A LEU 43.A N ASP 40.A O no hydrogen 3.243 N/A LYS 44.A N GLY 81.A O no hydrogen 3.141 N/A SER 47.A N LYS 79.A O no hydrogen 2.860 N/A SER 47.A OG SER 49.A OG no hydrogen 3.310 N/A SER 49.A N VAL 77.A O no hydrogen 2.851 N/A SER 49.A OG SER 47.A OG no hydrogen 3.310 N/A TYR 50.A OH HIS 121.A NE2 no hydrogen 2.674 N/A ALA 53.A N TYR 50.A O no hydrogen 3.050 N/A THR 54.A OG1 GLN 52.A O no hydrogen 3.529 N/A SER 55.A OG PHE 174.A O no hydrogen 2.558 N/A LEU 56.A N GLU 68.A O no hydrogen 2.769 N/A ARG 57.A NE GLU 68.A OE1 no hydrogen 2.771 N/A ARG 57.A NH2 GLU 68.A OE1 no hydrogen 3.301 N/A ARG 57.A NH2 GLU 68.A OE2 no hydrogen 2.892 N/A ILE 58.A N ALA 172.A O no hydrogen 2.935 N/A LEU 59.A N ASN 66.A O no hydrogen 2.875 N/A ASN 60.A N LYS 170.A O no hydrogen 2.910 N/A ASN 60.A ND2 ILE 165.A O no hydrogen 3.087 N/A ASN 60.A ND2 ASN 228.A O no hydrogen 3.122 N/A ASN 61.A N ALA 64.A O no hydrogen 3.100 N/A GLY 62.A N ASN 60.A OD1 no hydrogen 2.808 N/A HIS 63.A N ASN 61.A OD1 no hydrogen 2.846 N/A HIS 63.A NE2.B TRP 4.A O no hydrogen 3.363 N/A ALA 64.A N ASN 61.A OD1 no hydrogen 2.900 N/A ASN 66.A N LEU 59.A O no hydrogen 2.856 N/A VAL 67.A N PHE 92.A O no hydrogen 2.861 N/A GLU 68.A N ARG 57.A O no hydrogen 2.879 N/A PHE 69.A N ILE 90.A O no hydrogen 2.934 N/A ASP 70.A N THR 54.A O no hydrogen 2.882 N/A SER 72.A N ASP 70.A OD1 no hydrogen 2.860 N/A SER 72.A OG ASP 70.A OD1 no hydrogen 2.666 N/A SER 72.A OG ASP 70.A OD2 no hydrogen 3.543 N/A LYS 75.A NZ THR 54.A OG1 no hydrogen 3.379 N/A VAL 77.A N SER 49.A O no hydrogen 3.027 N/A LEU 78.A N TYR 87.A O no hydrogen 2.811 N/A LYS 79.A N SER 47.A O no hydrogen 2.968 N/A LYS 79.A NZ SER 47.A OG no hydrogen 2.913 N/A GLY 81.A N PRO 45.A O no hydrogen 3.130 N/A LEU 83.A N GLY 80.A O no hydrogen 2.876 N/A TYR 87.A N LEU 78.A O no hydrogen 2.957 N/A TYR 87.A OH ASP 137.A O no hydrogen 3.034 N/A ARG 88.A N TRP 122.A O no hydrogen 2.827 N/A ARG 88.A NE ASP 74.A OD1.B no hydrogen 2.981 N/A ARG 88.A NH1 ASP 71.A O no hydrogen 2.861 N/A LEU 89.A N ALA 76.A O no hydrogen 2.887 N/A ILE 90.A N VAL 120.A O no hydrogen 2.918 N/A PHE 92.A N VAL 67.A O no hydrogen 2.956 N/A HIS 93.A N HIS 118.A O no hydrogen 3.056 N/A HIS 93.A ND1 GLN 91.A OE1 no hydrogen 2.735 N/A HIS 95.A N GLU 116.A O no hydrogen 2.895 N/A HIS 95.A ND1 ASN 242.A O no hydrogen 2.757 N/A HIS 95.A NE2 HIS 93.A NE2 no hydrogen 3.137 N/A TRP 96.A N ASN 242.A OD1 no hydrogen 2.793 N/A TRP 96.A NE1 MET 239.A O no hydrogen 2.795 N/A SER 98.A N ASP 241.A OD1 no hydrogen 3.018 N/A SER 98.A OG ASP 241.A OD2 no hydrogen 2.635 N/A GLN 102.A N LEU 99.A O no hydrogen 3.297 N/A GLN 102.A NE2 ASP 241.A OD1 no hydrogen 2.866 N/A GLN 102.A NE2 ASP 241.A OD2 no hydrogen 3.436 N/A SER 104.A N TYR 113.A O no hydrogen 2.977 N/A SER 104.A OG HIS 106.A O no hydrogen 2.787 N/A GLU 105.A N GLU 116.A OE1 no hydrogen 2.811 N/A HIS 106.A N GLU 116.A OE1 no hydrogen 2.829 N/A HIS 106.A ND1 GLU 116.A OE2 no hydrogen 2.744 N/A HIS 106.A NE2 TYR 192.A OH no hydrogen 2.613 N/A THR 107.A N VAL 30.A O no hydrogen 3.494 N/A THR 107.A OG1 ASP 31.A OD1 no hydrogen 2.648 N/A VAL 108.A N LYS 111.A O no hydrogen 3.073 N/A ASP 109.A N ILE 32.A O no hydrogen 2.833 N/A LYS 110.A N ASP 31.A OD1 no hydrogen 2.788 N/A LYS 111.A N VAL 108.A O no hydrogen 2.871 N/A LYS 111.A NZ.B LYS 112.A O no hydrogen 2.600 N/A TYR 113.A N SER 104.A OG no hydrogen 2.895 N/A ALA 114.A N LEU 146.A O no hydrogen 3.069 N/A ALA 115.A N LEU 146.A O no hydrogen 3.359 N/A GLU 116.A N HIS 95.A O no hydrogen 2.872 N/A LEU 117.A N ILE 144.A O no hydrogen 2.800 N/A HIS 118.A N HIS 93.A O no hydrogen 2.829 N/A HIS 118.A NE2 GLU 116.A OE2 no hydrogen 2.700 N/A LEU 119.A N LEU 142.A O no hydrogen 2.896 N/A VAL 120.A N GLN 91.A O no hydrogen 2.839 N/A HIS 121.A N ALA 140.A O no hydrogen 2.907 N/A HIS 121.A ND1 ALA 140.A O no hydrogen 3.004 N/A HIS 121.A NE2 TYR 50.A OH no hydrogen 2.674 N/A TRP 122.A N ARG 88.A O no hydrogen 2.963 N/A TRP 122.A NE1 ASP 71.A OD2 no hydrogen 2.772 N/A ASN 123.A N GLY 138.A O no hydrogen 2.806 N/A ASN 123.A ND2 ASP 137.A O no hydrogen 3.056 N/A THR 124.A N THR 86.A O no hydrogen 2.914 N/A THR 124.A OG1 THR 86.A O no hydrogen 3.167 N/A LYS 125.A N ASN 123.A OD1 no hydrogen 3.086 N/A TYR 126.A N ASN 123.A O no hydrogen 3.048 N/A TYR 126.A OH ASP 137.A OD1 no hydrogen 2.570 N/A GLY 127.A N THR 124.A O no hydrogen 3.152 N/A ASP 128.A N TYR 126.A O no hydrogen 2.965 N/A LYS 131.A N ASP 128.A OD1.A no hydrogen 3.259 N/A LYS 131.A N ASP 128.A OD2.B no hydrogen 2.682 N/A ALA 132.A N ASP 128.A O no hydrogen 2.986 N/A VAL 133.A N PHE 129.A O no hydrogen 3.023 N/A GLN 134.A N LYS 131.A O no hydrogen 3.029 N/A GLN 134.A NE2 GLY 130.A O no hydrogen 3.513 N/A GLN 135.A N ALA 132.A O no hydrogen 3.034 N/A GLN 135.A NE2 LYS 131.A O no hydrogen 3.127 N/A GLY 138.A N GLN 135.A O no hydrogen 3.232 N/A LEU 139.A N CYS 204.A O no hydrogen 2.933 N/A ALA 140.A N HIS 121.A O no hydrogen 2.878 N/A VAL 141.A N THR 206.A O no hydrogen 3.151 N/A LEU 142.A N LEU 119.A O no hydrogen 2.934 N/A GLY 143.A N ILE 208.A O no hydrogen 2.800 N/A ILE 144.A N LEU 117.A O no hydrogen 2.868 N/A LEU 146.A N ALA 115.A O no hydrogen 2.929 N/A LYS 147.A N ILE 214.A O no hydrogen 2.925 N/A GLY 149.A N VAL 216.A O no hydrogen 2.766 N/A LYS 152.A N GLN 220.A OE1 no hydrogen 2.997 N/A LYS 152.A NZ LEU 183.A O no hydrogen 3.270 N/A LEU 155.A N LYS 152.A O no hydrogen 3.033 N/A GLN 156.A N PRO 153.A O no hydrogen 3.086 N/A GLN 156.A NE2 ASP 160.A OD1 no hydrogen 2.984 N/A GLN 156.A NE2 ASP 160.A OD2 no hydrogen 3.242 N/A LYS 157.A NZ ASN 176.A O no hydrogen 3.093 N/A VAL 159.A N LEU 155.A O no hydrogen 3.110 N/A ASP 160.A N GLN 156.A O no hydrogen 2.875 N/A VAL 161.A N VAL 158.A O no hydrogen 3.145 N/A LEU 162.A N VAL 159.A O no hydrogen 3.204 N/A SER 164.A N VAL 161.A O no hydrogen 2.909 N/A SER 164.A OG VAL 161.A O no hydrogen 2.782 N/A ILE 165.A N LEU 162.A O no hydrogen 3.039 N/A LYS 168.A N ASN 230.A O no hydrogen 2.815 N/A GLY 169.A N ASN 60.A O no hydrogen 2.770 N/A LYS 170.A N THR 167.A O no hydrogen 3.098 N/A LYS 170.A NZ GLU 232.A OE1 no hydrogen 3.470 N/A ALA 172.A N ILE 58.A O no hydrogen 2.867 N/A PHE 174.A N LEU 56.A O no hydrogen 2.931 N/A PHE 177.A N SER 55.A OG no hydrogen 2.992 N/A ARG 180.A N ASP 178.A OD1 no hydrogen 2.923 N/A ARG 180.A NE ASP 178.A OD1 no hydrogen 3.079 N/A ARG 180.A NE ASP 178.A OD2 no hydrogen 3.129 N/A ARG 180.A NH2 ASP 178.A OD2 no hydrogen 2.930 N/A GLY 181.A N ASP 178.A O no hydrogen 3.156 N/A LEU 182.A N PRO 179.A O no hydrogen 3.053 N/A LEU 183.A N ARG 180.A O no hydrogen 3.342 N/A SER 186.A N GLU 212.A OE1 no hydrogen 2.915 N/A ASP 188.A N SER 186.A OG no hydrogen 3.071 N/A TYR 189.A N SER 257.A OG no hydrogen 2.921 N/A TRP 190.A N VAL 209.A O no hydrogen 2.869 N/A THR 191.A N LYS 255.A O no hydrogen 2.809 N/A THR 191.A OG1 TRP 207.A O no hydrogen 2.755 N/A TYR 192.A N TRP 207.A O no hydrogen 3.234 N/A TYR 192.A OH SER 28.A OG no hydrogen 2.766 N/A TYR 192.A OH HIS 106.A NE2 no hydrogen 2.613 N/A GLY 194.A N VAL 205.A O no hydrogen 2.787 N/A SER 195.A N SER 28.A OG no hydrogen 2.921 N/A SER 195.A OG LEU 196.A O no hydrogen 2.748 N/A LEU 196.A N LEU 202.A O no hydrogen 2.916 N/A THR 197.A OG1 GLU 105.A OE1 no hydrogen 2.603 N/A THR 197.A OG1 GLU 105.A OE2 no hydrogen 3.454 N/A THR 198.A OG1 PRO 199.A O no hydrogen 3.142 N/A LEU 201.A N THR 198.A O no hydrogen 2.796 N/A CYS 204.A N LEU 202.A O no hydrogen 3.075 N/A CYS 204.A SG.A VAL 133.A O no hydrogen 3.228 N/A CYS 204.A SG.B VAL 133.A O no hydrogen 3.601 N/A VAL 205.A N GLY 194.A O no hydrogen 3.193 N/A THR 206.A N LEU 139.A O no hydrogen 2.872 N/A TRP 207.A N TYR 192.A O no hydrogen 2.969 N/A TRP 207.A NE1 SER 195.A O no hydrogen 2.935 N/A ILE 208.A N VAL 141.A O no hydrogen 2.965 N/A VAL 209.A N TRP 190.A O no hydrogen 2.811 N/A LEU 210.A N GLY 143.A O no hydrogen 2.857 N/A LYS 211.A N ASP 188.A O no hydrogen 2.905 N/A ILE 214.A N PHE 145.A O no hydrogen 2.846 N/A VAL 216.A N LYS 147.A O no hydrogen 2.903 N/A SER 217.A N GLN 220.A OE1 no hydrogen 3.029 N/A SER 218.A OG.A GLU 219.A OE1 no hydrogen 3.280 N/A GLU 219.A N GLU 219.A OE1 no hydrogen 2.832 N/A GLN 220.A N SER 217.A OG no hydrogen 3.129 N/A GLN 220.A NE2 LYS 152.A O no hydrogen 3.028 N/A GLN 220.A NE2 GLN 156.A OE1 no hydrogen 2.946 N/A VAL 221.A N SER 217.A O no hydrogen 3.113 N/A LEU 222.A N SER 218.A O no hydrogen 2.890 N/A LYS 223.A N GLU 219.A O no hydrogen 3.257 N/A LYS 223.A N GLN 220.A O no hydrogen 3.142 N/A PHE 224.A N GLN 220.A O no hydrogen 3.411 N/A ARG 225.A N VAL 221.A O no hydrogen 3.153 N/A ARG 225.A NE GLY 97.A O no hydrogen 2.822 N/A ARG 225.A NH1 ASP 100.A OD1 no hydrogen 3.530 N/A ARG 225.A NH2 ASP 100.A OD1 no hydrogen 2.860 N/A LYS 226.A N LYS 223.A O no hydrogen 3.173 N/A LEU 227.A N PHE 224.A O no hydrogen 3.198 N/A ASN 228.A N LYS 166.A O no hydrogen 2.823 N/A ASN 228.A ND2 GLU 236.A OE2 no hydrogen 2.864 N/A PHE 229.A N GLU 237.A O no hydrogen 2.926 N/A ASN 230.A ND2 ASN 228.A OD1 no hydrogen 3.189 N/A ASN 230.A ND2 GLY 231.A O no hydrogen 3.084 N/A GLY 231.A N GLU 234.A OE1 no hydrogen 2.804 N/A GLU 234.A N GLY 231.A O no hydrogen 3.169 N/A GLU 237.A N ASN 230.A OD1 no hydrogen 2.815 N/A MET 239.A N LEU 227.A O no hydrogen 2.772 N/A ASN 242.A N TRP 96.A O no hydrogen 3.294 N/A ASN 242.A ND2 HIS 63.A O no hydrogen 2.906 N/A TRP 243.A NE1 ASP 241.A OD1 no hydrogen 2.990 N/A ARG 244.A N GLU 105.A OE2 no hydrogen 2.783 N/A ARG 244.A NH1 GLN 27.A OE1 no hydrogen 2.748 N/A ARG 244.A NH1 SER 28.A O no hydrogen 2.854 N/A ARG 244.A NH2 ALA 22.A O no hydrogen 3.169 N/A ARG 244.A NH2 GLN 27.A OE1 no hydrogen 3.375 N/A GLN 247.A N PRO 29.A O no hydrogen 2.808 N/A GLN 247.A NE2 PRO 245.A O no hydrogen 2.844 N/A LYS 250.A NZ.B GLY 24.A O no hydrogen 2.826 N/A ARG 252.A N LYS 250.A O no hydrogen 2.932 N/A ARG 252.A NE LEU 249.A O no hydrogen 2.800 N/A ARG 252.A NH1 GLN 27.A O no hydrogen 3.015 N/A ARG 252.A NH1 PRO 193.A O no hydrogen 2.900 N/A ARG 252.A NH2 GLN 27.A O no hydrogen 2.825 N/A ARG 252.A NH2 PRO 248.A O no hydrogen 2.878 N/A ARG 252.A NH2 LEU 249.A O no hydrogen 3.510 N/A LYS 255.A N THR 191.A O no hydrogen 2.958 N/A LYS 255.A NZ.B ASP 40.A OD2 no hydrogen 2.790 N/A ALA 256.A N LYS 38.A O no hydrogen 2.854 N/A SER 257.A N TYR 189.A O no hydrogen 2.869 N/A SER 257.A OG TYR 189.A O no hydrogen 3.342 N/A