Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8dug_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N GLN 6.A OE1 no hydrogen 2.816 N/A GLN 6.A N THR 3.A OG1 no hydrogen 3.189 N/A MET 7.A N THR 3.A O no hydrogen 2.814 N/A VAL 8.A N ALA 4.A O no hydrogen 3.002 N/A SER 9.A N ASP 5.A O no hydrogen 3.020 N/A ALA 10.A N GLN 6.A O no hydrogen 3.064 N/A LEU 11.A N MET 7.A O no hydrogen 3.095 N/A LEU 12.A N VAL 8.A O no hydrogen 2.884 N/A ASP 13.A N SER 9.A O no hydrogen 3.083 N/A ALA 14.A N ALA 10.A O no hydrogen 3.124 N/A GLU 15.A N LEU 12.A O no hydrogen 3.394 N/A SER 21.A N ASN 95.A OD1 no hydrogen 2.926 N/A SER 26.A OG SER 29.A OG no hydrogen 3.054 N/A SER 29.A N SER 26.A OG no hydrogen 3.376 N/A SER 29.A OG SER 26.A O no hydrogen 3.414 N/A SER 29.A OG SER 26.A OG no hydrogen 3.054 N/A LEU 33.A N SER 29.A O no hydrogen 3.144 N/A LEU 34.A N MET 30.A O no hydrogen 2.987 N/A THR 35.A N MET 31.A O no hydrogen 2.944 N/A THR 35.A OG1 MET 31.A O no hydrogen 3.079 N/A ASN 36.A N GLY 32.A O no hydrogen 3.122 N/A LEU 37.A N LEU 33.A O no hydrogen 2.880 N/A ALA 38.A N LEU 34.A O no hydrogen 2.920 N/A ASP 39.A N THR 35.A O no hydrogen 3.014 N/A ARG 40.A N ASN 36.A O no hydrogen 3.201 N/A ARG 40.A NE ASN 36.A OD1 no hydrogen 3.065 N/A ARG 40.A NH1 TYR 20.A O no hydrogen 3.086 N/A ARG 40.A NH2 TYR 20.A O no hydrogen 2.875 N/A ARG 40.A NH2 ASN 36.A OD1 no hydrogen 3.174 N/A GLU 41.A N LEU 37.A O no hydrogen 2.940 N/A LEU 42.A N ALA 38.A O no hydrogen 2.997 N/A MET 45.A N GLU 41.A O no hydrogen 2.830 N/A ILE 46.A N LEU 42.A O no hydrogen 3.010 N/A ASN 47.A N VAL 43.A O no hydrogen 3.315 N/A TRP 48.A N HIS 44.A O no hydrogen 2.982 N/A ALA 49.A N MET 45.A O no hydrogen 2.864 N/A LYS 50.A N ILE 46.A O no hydrogen 3.059 N/A ARG 51.A N TRP 48.A O no hydrogen 3.003 N/A VAL 52.A N ALA 49.A O no hydrogen 2.848 N/A PHE 55.A N VAL 52.A O no hydrogen 3.005 N/A LEU 58.A N PHE 55.A O no hydrogen 3.260 N/A THR 59.A N GLU 156.A OE2 no hydrogen 2.727 N/A THR 59.A OG1 GLU 156.A OE1 no hydrogen 3.569 N/A THR 59.A OG1 GLU 156.A OE2 no hydrogen 3.470 N/A HIS 61.A ND1 TYR 219.A OH no hydrogen 2.599 N/A GLN 63.A N THR 59.A O no hydrogen 2.897 N/A GLN 63.A NE2 LEU 58.A O no hydrogen 2.795 N/A VAL 64.A N LEU 60.A O no hydrogen 2.729 N/A HIS 65.A N HIS 61.A O no hydrogen 3.010 N/A HIS 65.A NE2 THR 148.A OG1 no hydrogen 2.825 N/A LEU 66.A N ASP 62.A O no hydrogen 2.924 N/A LEU 67.A N GLN 63.A O no hydrogen 3.141 N/A GLU 68.A N VAL 64.A O no hydrogen 2.751 N/A SER 69.A N HIS 65.A O no hydrogen 3.070 N/A SER 69.A OG HIS 65.A O no hydrogen 3.305 N/A ALA 70.A N LEU 67.A O no hydrogen 3.307 N/A TRP 71.A N LEU 67.A O no hydrogen 3.012 N/A ILE 74.A N ALA 70.A O no hydrogen 2.828 N/A LEU 75.A N TRP 71.A O no hydrogen 3.062 N/A MET 76.A N LEU 72.A O no hydrogen 2.972 N/A ILE 77.A N GLU 73.A O no hydrogen 2.968 N/A GLY 78.A N ILE 74.A O no hydrogen 3.027 N/A LEU 79.A N LEU 75.A O no hydrogen 2.944 N/A VAL 80.A N MET 76.A O no hydrogen 2.894 N/A TRP 81.A N ILE 77.A O no hydrogen 2.945 N/A ARG 82.A N GLY 78.A O no hydrogen 3.006 N/A ARG 82.A NE LEU 91.A O no hydrogen 3.162 N/A ARG 82.A NH2 PHE 92.A O no hydrogen 3.104 N/A SER 83.A N LEU 79.A O no hydrogen 2.977 N/A SER 83.A OG LEU 79.A O no hydrogen 2.783 N/A MET 84.A N TRP 81.A O no hydrogen 3.107 N/A HIS 86.A N SER 83.A O no hydrogen 3.123 N/A LYS 89.A N HIS 86.A O no hydrogen 3.252 N/A LEU 90.A N LEU 98.A O no hydrogen 2.888 N/A LEU 91.A N SER 83.A OG no hydrogen 2.625 N/A ALA 93.A N LEU 96.A O no hydrogen 3.318 N/A ASN 95.A ND2 SER 21.A O no hydrogen 2.740 N/A LEU 96.A N ALA 93.A O no hydrogen 2.915 N/A LEU 98.A N LEU 90.A O no hydrogen 3.084 N/A ASP 99.A N GLN 102.A OE1 no hydrogen 3.094 N/A ARG 100.A NE ASP 114.A OD1 no hydrogen 2.724 N/A ARG 100.A NE ASP 114.A OD2 no hydrogen 2.996 N/A ARG 100.A NH2 ASP 114.A OD2 no hydrogen 2.613 N/A GLN 102.A N ASP 99.A O no hydrogen 3.294 N/A GLN 102.A N ASP 99.A OD1 no hydrogen 3.086 N/A GLY 103.A N ARG 100.A O no hydrogen 3.112 N/A LYS 104.A NZ ASN 101.A OD1 no hydrogen 3.180 N/A SER 105.A OG GLU 27.A OE1 no hydrogen 2.831 N/A MET 109.A N VAL 106.A O no hydrogen 3.195 N/A PHE 113.A N MET 109.A O no hydrogen 2.903 N/A ASP 114.A N VAL 110.A O no hydrogen 2.783 N/A MET 115.A N GLU 111.A O no hydrogen 3.260 N/A LEU 116.A N ILE 112.A O no hydrogen 2.863 N/A LEU 117.A N PHE 113.A O no hydrogen 2.974 N/A ALA 118.A N ASP 114.A O no hydrogen 2.947 N/A THR 119.A N MET 115.A O no hydrogen 3.121 N/A THR 119.A OG1 MET 115.A O no hydrogen 2.980 N/A SER 120.A N LEU 116.A O no hydrogen 3.031 N/A SER 120.A OG SER 83.A O no hydrogen 3.043 N/A SER 121.A N LEU 117.A O no hydrogen 2.870 N/A SER 121.A OG LEU 117.A O no hydrogen 2.986 N/A ARG 122.A N ALA 118.A O no hydrogen 2.788 N/A PHE 123.A N THR 119.A O no hydrogen 2.851 N/A ARG 124.A N SER 120.A O no hydrogen 3.080 N/A ARG 124.A NH1 MET 84.A O no hydrogen 2.906 N/A MET 125.A N SER 121.A O no hydrogen 2.866 N/A MET 126.A N ARG 122.A O no hydrogen 3.168 N/A MET 126.A N PHE 123.A O no hydrogen 3.229 N/A ASN 127.A N ARG 124.A O no hydrogen 3.048 N/A LEU 128.A N PHE 123.A O no hydrogen 3.205 N/A GLN 129.A N GLU 132.A OE1 no hydrogen 3.083 N/A GLN 129.A NE2 ASN 127.A O no hydrogen 2.803 N/A PHE 133.A N GLN 129.A O no hydrogen 3.001 N/A VAL 134.A N GLY 130.A O no hydrogen 3.139 N/A CYS 135.A SG GLU 131.A O no hydrogen 3.414 N/A LEU 136.A N GLU 132.A O no hydrogen 3.008 N/A LYS 137.A N PHE 133.A O no hydrogen 2.916 N/A LYS 137.A NZ GLU 15.A OE1 no hydrogen 3.352 N/A LYS 137.A NZ GLU 15.A OE2 no hydrogen 2.537 N/A SER 138.A N VAL 134.A O no hydrogen 3.125 N/A SER 138.A OG VAL 134.A O no hydrogen 2.992 N/A ILE 139.A N CYS 135.A O no hydrogen 2.989 N/A ILE 140.A N LEU 136.A O no hydrogen 3.087 N/A LEU 141.A N LYS 137.A O no hydrogen 3.174 N/A LEU 142.A N SER 138.A O no hydrogen 3.220 N/A ASN 143.A N ILE 139.A O no hydrogen 2.792 N/A SER 144.A N ILE 140.A O no hydrogen 3.223 N/A SER 144.A OG GLU 73.A OE2 no hydrogen 2.749 N/A SER 144.A OG ILE 140.A O no hydrogen 2.631 N/A VAL 146.A N ASN 143.A O no hydrogen 3.410 N/A TYR 147.A OH ASN 143.A OD1 no hydrogen 2.993 N/A THR 148.A OG1 HIS 65.A NE2 no hydrogen 2.825 N/A THR 148.A OG1 GLY 145.A O no hydrogen 3.530 N/A SER 153.A N THR 150.A OG1 no hydrogen 3.308 N/A SER 153.A OG THR 150.A O no hydrogen 2.836 N/A LEU 154.A N THR 150.A O no hydrogen 2.919 N/A GLU 155.A N LEU 151.A O no hydrogen 2.926 N/A GLU 156.A N LYS 152.A O no hydrogen 3.161 N/A LYS 157.A N SER 153.A O no hydrogen 2.977 N/A ASP 158.A N LEU 154.A O no hydrogen 3.074 N/A HIS 159.A N GLU 155.A O no hydrogen 3.172 N/A HIS 159.A NE2 GLY 54.A O no hydrogen 3.061 N/A ILE 160.A N GLU 156.A O no hydrogen 2.856 N/A HIS 161.A N LYS 157.A O no hydrogen 3.032 N/A ARG 162.A N ASP 158.A O no hydrogen 3.008 N/A VAL 163.A N HIS 159.A O no hydrogen 2.911 N/A LEU 164.A N ILE 160.A O no hydrogen 2.851 N/A ASP 165.A N HIS 161.A O no hydrogen 3.010 N/A LYS 166.A N ARG 162.A O no hydrogen 3.222 N/A LYS 166.A NZ LEU 2.A O no hydrogen 3.184 N/A ILE 167.A N VAL 163.A O no hydrogen 3.070 N/A THR 168.A N LEU 164.A O no hydrogen 2.969 N/A THR 168.A OG1 LEU 164.A O no hydrogen 3.225 N/A ASP 169.A N ASP 165.A O no hydrogen 3.040 N/A THR 170.A N LYS 166.A O no hydrogen 2.789 N/A THR 170.A OG1 LYS 166.A O no hydrogen 2.878 N/A LEU 171.A N ILE 167.A O no hydrogen 2.914 N/A ILE 172.A N THR 168.A O no hydrogen 2.960 N/A HIS 173.A N ASP 169.A O no hydrogen 2.835 N/A LEU 174.A N THR 170.A O no hydrogen 2.886 N/A MET 175.A N LEU 171.A O no hydrogen 2.953 N/A ALA 176.A N ILE 172.A O no hydrogen 2.858 N/A LYS 177.A N HIS 173.A O no hydrogen 2.774 N/A LYS 177.A NZ ASP 5.A OD1 no hydrogen 3.452 N/A LYS 177.A NZ ASP 5.A OD2 no hydrogen 2.977 N/A GLY 179.A N ALA 176.A O no hydrogen 3.063 N/A LEU 180.A N MET 175.A O no hydrogen 3.193 N/A THR 181.A N GLN 184.A OE1 no hydrogen 3.217 N/A GLN 185.A N THR 181.A O no hydrogen 2.859 N/A GLN 185.A NE2 LEU 180.A O no hydrogen 2.697 N/A HIS 186.A N LEU 182.A O no hydrogen 3.032 N/A GLN 187.A N GLN 183.A O no hydrogen 3.011 N/A ARG 188.A N GLN 184.A O no hydrogen 2.947 N/A ARG 188.A NE GLU 132.A OE2 no hydrogen 2.894 N/A ARG 188.A NH1 MET 126.A O no hydrogen 3.105 N/A ARG 188.A NH2 MET 126.A O no hydrogen 2.973 N/A ARG 188.A NH2 GLU 132.A OE1 no hydrogen 2.965 N/A LEU 189.A N GLN 185.A O no hydrogen 2.978 N/A ALA 190.A N HIS 186.A O no hydrogen 3.006 N/A GLN 191.A N GLN 187.A O no hydrogen 2.878 N/A LEU 192.A N ARG 188.A O no hydrogen 2.835 N/A LEU 193.A N LEU 189.A O no hydrogen 3.032 N/A LEU 194.A N ALA 190.A O no hydrogen 2.952 N/A ILE 195.A N LEU 192.A O no hydrogen 3.076 N/A LEU 196.A N LEU 193.A O no hydrogen 3.156 N/A SER 197.A N LEU 194.A O no hydrogen 3.166 N/A HIS 198.A N ILE 195.A O no hydrogen 2.972 N/A ILE 199.A N ILE 195.A O no hydrogen 3.027 N/A ARG 200.A N LEU 196.A O no hydrogen 3.044 N/A HIS 201.A N SER 197.A O no hydrogen 3.110 N/A MET 202.A N HIS 198.A O no hydrogen 2.771 N/A SER 203.A N ILE 199.A O no hydrogen 2.770 N/A ASN 204.A N ARG 200.A O no hydrogen 2.862 N/A LYS 205.A N HIS 201.A O no hydrogen 3.175 N/A LYS 205.A NZ HIS 201.A NE2 no hydrogen 3.186 N/A LYS 205.A NZ HIS 201.A O no hydrogen 3.506 N/A GLY 206.A N MET 202.A O no hydrogen 2.832 N/A MET 207.A N SER 203.A O no hydrogen 2.905 N/A GLU 208.A N ASN 204.A O no hydrogen 3.251 N/A HIS 209.A N LYS 205.A O no hydrogen 2.799 N/A HIS 209.A NE2 GLU 107.A O no hydrogen 3.158 N/A LEU 210.A N GLY 206.A O no hydrogen 2.838 N/A TYR 211.A N MET 207.A O no hydrogen 3.120 N/A SER 212.A N HIS 209.A O no hydrogen 3.276 N/A SER 212.A OG HIS 209.A O no hydrogen 2.785 N/A MET 213.A N LEU 210.A O no hydrogen 3.380 N/A TYR 219.A OH HIS 61.A ND1 no hydrogen 2.599 N/A LEU 221.A N SER 218.A OG no hydrogen 2.916 N/A LEU 222.A N SER 218.A O no hydrogen 2.884 N/A LEU 223.A N TYR 219.A O no hydrogen 2.800 N/A GLU 224.A N ASP 220.A O no hydrogen 2.802 N/A MET 225.A N LEU 221.A O no hydrogen 3.082 N/A LEU 226.A N LEU 222.A O no hydrogen 3.046 N/A ASP 227.A N LEU 223.A O no hydrogen 2.785 N/A