Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4gug_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ.A GLN 192.A O no hydrogen 2.616 N/A LYS 2.A NZ.A GLN 192.A OE1 no hydrogen 3.288 N/A VAL 4.A N VAL 11.A O no hydrogen 2.920 N/A VAL 6.A N.A LEU 9.A O no hydrogen 2.894 N/A VAL 6.A N.B LEU 9.A O no hydrogen 2.807 N/A ARG 7.A NH2.A THR 73.A O no hydrogen 2.553 N/A ARG 7.A NH2.A LYS 75.A O no hydrogen 3.194 N/A LEU 9.A N VAL 6.A O.A no hydrogen 3.106 N/A LEU 9.A N VAL 6.A O.B no hydrogen 2.439 N/A VAL 11.A N VAL 4.A O no hydrogen 2.842 N/A LYS 17.A N ALA 222.A O no hydrogen 3.065 N/A LYS 17.A NZ VAL 10.A O no hydrogen 3.306 N/A LYS 17.A NZ GLU 13.A O no hydrogen 2.576 N/A LYS 17.A NZ ALA 15.A O no hydrogen 2.821 N/A ILE 18.A N ASP 43.A OD2 no hydrogen 2.809 N/A ILE 19.A N THR 224.A O.A no hydrogen 2.795 N/A ILE 19.A N THR 224.A O.B no hydrogen 2.973 N/A VAL 20.A N ILE 44.A O no hydrogen 3.055 N/A SER 21.A OG GLU 46.A OE1 no hydrogen 2.576 N/A LEU 22.A N GLU 46.A O no hydrogen 2.765 N/A MET 23.A N GLU 33.A OE1 no hydrogen 3.187 N/A THR 26.A N ASP 29.A OD2 no hydrogen 3.097 N/A ASP 29.A N THR 26.A OG1 no hydrogen 3.156 N/A VAL 30.A N THR 26.A O no hydrogen 2.905 N/A LYS 31.A N ILE 27.A O no hydrogen 2.987 N/A SER 32.A N THR 28.A O no hydrogen 3.093 N/A SER 32.A OG THR 28.A O no hydrogen 3.388 N/A GLU 33.A N ASP 29.A O no hydrogen 2.902 N/A ALA 34.A N VAL 30.A O no hydrogen 2.903 N/A LEU 35.A N LYS 31.A O no hydrogen 2.917 N/A ALA 36.A N SER 32.A O no hydrogen 2.874 N/A TYR 37.A N GLU 33.A O no hydrogen 2.849 N/A TYR 37.A OH SER 21.A O no hydrogen 3.361 N/A ARG 38.A N ALA 34.A O no hydrogen 2.999 N/A ARG 38.A NH1 ILE 71.A O no hydrogen 2.830 N/A GLU 39.A N ALA 36.A O no hydrogen 3.236 N/A ALA 40.A N TYR 37.A O no hydrogen 2.726 N/A ASP 43.A N ILE 18.A O no hydrogen 2.879 N/A ILE 44.A N ILE 18.A O no hydrogen 3.034 N/A LEU 45.A N PRO 76.A O no hydrogen 3.000 N/A GLU 46.A N VAL 20.A O no hydrogen 2.768 N/A TRP 47.A N LEU 78.A O no hydrogen 2.732 N/A ARG 48.A N LEU 22.A O no hydrogen 2.917 N/A ARG 48.A NE ASP 50.A OD1 no hydrogen 2.846 N/A ARG 48.A NH2 ASP 50.A OD2 no hydrogen 2.905 N/A VAL 49.A N THR 80.A O no hydrogen 2.985 N/A HIS 51.A N ARG 48.A O no hydrogen 3.123 N/A PHE 52.A N VAL 49.A O no hydrogen 2.918 N/A ALA 53.A N LYS 25.A O.A no hydrogen 2.906 N/A ALA 53.A N LYS 25.A O.B no hydrogen 2.901 N/A VAL 55.A N PHE 52.A O no hydrogen 3.150 N/A THR 57.A N ASN 54.A O no hydrogen 3.079 N/A SER 60.A N THR 57.A O no hydrogen 2.941 N/A VAL 61.A N THR 57.A O no hydrogen 3.125 N/A LEU 62.A N ALA 58.A O no hydrogen 2.986 N/A GLU 63.A N GLU 59.A O no hydrogen 2.948 N/A ALA 64.A N SER 60.A O no hydrogen 3.007 N/A ALA 65.A N VAL 61.A O no hydrogen 2.961 N/A GLY 66.A N LEU 62.A O no hydrogen 3.085 N/A ALA 67.A N GLU 63.A O no hydrogen 2.992 N/A ILE 68.A N ALA 64.A O no hydrogen 2.918 N/A ARG 69.A N.A ALA 65.A O no hydrogen 3.050 N/A ARG 69.A N.B ALA 65.A O no hydrogen 3.037 N/A ARG 69.A NH1.A ILE 72.A O no hydrogen 3.052 N/A ARG 69.A NH1.A LYS 75.A O no hydrogen 2.796 N/A ARG 69.A NH1.B ASP 111.A OD1 no hydrogen 3.542 N/A ARG 69.A NH2.A LEU 109.A O no hydrogen 3.381 N/A ARG 69.A NH2.A ASP 111.A OD2 no hydrogen 2.939 N/A GLU 70.A N GLY 66.A O no hydrogen 2.987 N/A ILE 71.A N ALA 67.A O no hydrogen 3.372 N/A ILE 71.A N ILE 68.A O no hydrogen 3.087 N/A ILE 72.A N ILE 68.A O no hydrogen 2.911 N/A THR 73.A OG1 ASP 74.A OD2 no hydrogen 2.968 N/A LYS 75.A NZ PHE 42.A O no hydrogen 2.778 N/A LEU 77.A N ASP 111.A OD2 no hydrogen 2.858 N/A LEU 78.A N LEU 45.A O no hydrogen 2.784 N/A PHE 79.A N MET 112.A O no hydrogen 2.892 N/A THR 80.A N TRP 47.A O no hydrogen 2.944 N/A THR 80.A OG1 GLU 46.A OE2 no hydrogen 2.776 N/A ARG 82.A N ASP 50.A OD1 no hydrogen 3.002 N/A ARG 82.A NH1.B ASP 114.A OD1 no hydrogen 3.410 N/A ARG 82.A NH1.B ASP 114.A OD2 no hydrogen 2.971 N/A ARG 82.A NH2.B ASP 114.A OD1 no hydrogen 3.192 N/A ARG 82.A NH2.B GLU 116.A OE2 no hydrogen 2.856 N/A SER 83.A N GLU 116.A OE2 no hydrogen 3.003 N/A SER 83.A OG GLU 116.A OE1 no hydrogen 2.930 N/A GLY 87.A N ALA 84.A O no hydrogen 2.767 N/A GLY 88.A N SER 83.A O no hydrogen 2.807 N/A THR 93.A N GLN 96.A OE1 no hydrogen 2.848 N/A GLN 96.A N THR 93.A OG1 no hydrogen 3.095 N/A TYR 97.A N THR 93.A O no hydrogen 2.922 N/A ILE 98.A N THR 94.A O no hydrogen 2.901 N/A ASP 99.A N GLY 95.A O no hydrogen 2.933 N/A LEU 100.A N GLN 96.A O no hydrogen 2.897 N/A ASN 101.A N TYR 97.A O no hydrogen 3.066 N/A ASN 101.A ND2 TYR 97.A O no hydrogen 3.081 N/A ARG 102.A N ILE 98.A O no hydrogen 2.817 N/A ALA 103.A N ASP 99.A O no hydrogen 2.882 N/A ALA 104.A N LEU 100.A O no hydrogen 2.992 N/A VAL 105.A N ASN 101.A O no hydrogen 3.037 N/A ASP 106.A N ARG 102.A O no hydrogen 2.837 N/A SER 107.A N ALA 103.A O no hydrogen 2.922 N/A SER 107.A OG ALA 104.A O no hydrogen 2.703 N/A GLY 108.A N VAL 105.A O no hydrogen 3.347 N/A LEU 109.A N SER 107.A OG no hydrogen 3.142 N/A ASP 111.A N LEU 77.A O no hydrogen 2.887 N/A MET 112.A N LEU 77.A O no hydrogen 3.189 N/A ILE 113.A N ALA 137.A O no hydrogen 2.908 N/A ASP 114.A N PHE 79.A O no hydrogen 3.066 N/A LEU 115.A N ILE 139.A O no hydrogen 2.896 N/A GLU 116.A N TYR 97.A OH no hydrogen 2.848 N/A LEU 117.A N SER 141.A O no hydrogen 2.807 N/A THR 119.A N GLU 116.A O no hydrogen 3.051 N/A THR 119.A OG1 GLU 116.A O no hydrogen 2.699 N/A VAL 124.A N GLY 120.A O no hydrogen 2.862 N/A LYS 125.A N ASP 121.A O no hydrogen 2.941 N/A ALA 126.A N ASP 122.A O no hydrogen 3.166 N/A THR 127.A N GLU 123.A O no hydrogen 2.932 N/A THR 127.A OG1 GLU 123.A O no hydrogen 2.728 N/A VAL 128.A N VAL 124.A O no hydrogen 2.796 N/A GLY 129.A N LYS 125.A O no hydrogen 3.044 N/A TYR 130.A N ALA 126.A O no hydrogen 2.957 N/A ALA 131.A N THR 127.A O no hydrogen 2.889 N/A HIS 132.A N VAL 128.A O no hydrogen 2.925 N/A HIS 132.A NE2 ASP 167.A OD2 no hydrogen 2.642 N/A GLN 133.A N GLY 129.A O no hydrogen 2.982 N/A HIS 134.A N TYR 130.A O no hydrogen 3.305 N/A HIS 134.A N ALA 131.A O no hydrogen 2.926 N/A HIS 134.A ND1 TYR 130.A O no hydrogen 2.932 N/A ASN 135.A N HIS 132.A O no hydrogen 3.061 N/A VAL 136.A N ALA 131.A O no hydrogen 2.907 N/A ALA 137.A N ASP 111.A O no hydrogen 3.047 N/A VAL 138.A N ASP 167.A OD2 no hydrogen 2.858 N/A ILE 139.A N ILE 113.A O no hydrogen 2.883 N/A MET 140.A N ILE 168.A O no hydrogen 3.093 N/A SER 141.A N LEU 115.A O no hydrogen 2.921 N/A SER 141.A OG ASP 114.A OD1 no hydrogen 2.721 N/A SER 141.A OG ASP 114.A OD2 no hydrogen 3.385 N/A ASN 142.A N LYS 170.A O no hydrogen 3.129 N/A ASP 144.A N ALA 172.A O no hydrogen 2.903 N/A HIS 146.A N ASP 144.A OD1 no hydrogen 3.068 N/A LYS 147.A N ASP 144.A OD1 no hydrogen 3.116 N/A LYS 147.A NZ ASP 144.A OD2 no hydrogen 2.688 N/A THR 148.A OG1 MET 174.A O no hydrogen 2.814 N/A GLU 152.A N GLU 152.A OE2.A no hydrogen 2.805 N/A ILE 154.A N ALA 150.A O no hydrogen 3.060 N/A VAL 155.A N ALA 151.A O no hydrogen 2.892 N/A GLN 156.A N.A GLU 152.A O no hydrogen 2.833 N/A GLN 156.A N.B GLU 152.A O no hydrogen 2.889 N/A ARG 157.A N GLU 153.A O no hydrogen 3.007 N/A ARG 157.A NE GLU 153.A OE2 no hydrogen 2.710 N/A ARG 157.A NH1 ASN 142.A OD1 no hydrogen 2.777 N/A ARG 157.A NH2 GLU 153.A OE2 no hydrogen 3.409 N/A LEU 158.A N ILE 154.A O no hydrogen 3.106 N/A ARG 159.A N VAL 155.A O no hydrogen 2.837 N/A ARG 159.A NH1 GLN 156.A OE1.B no hydrogen 2.404 N/A LYS 160.A N GLN 156.A O.A no hydrogen 3.138 N/A LYS 160.A N GLN 156.A O.B no hydrogen 2.879 N/A LYS 160.A NZ ASP 121.A OD2 no hydrogen 2.886 N/A MET 161.A N ARG 157.A O no hydrogen 2.896 N/A GLN 162.A N.A LEU 158.A O no hydrogen 3.087 N/A GLN 162.A N.B LEU 158.A O no hydrogen 3.018 N/A GLN 162.A NE2.A TYR 195.A O no hydrogen 3.073 N/A GLU 163.A N ARG 159.A O no hydrogen 2.898 N/A LEU 164.A N LYS 160.A O no hydrogen 2.940 N/A LEU 164.A N MET 161.A O no hydrogen 3.204 N/A GLY 165.A N GLN 162.A O.A no hydrogen 2.933 N/A GLY 165.A N GLN 162.A O.B no hydrogen 3.057 N/A ALA 166.A N MET 161.A O no hydrogen 3.129 N/A ASP 167.A N VAL 138.A O no hydrogen 2.855 N/A ILE 168.A N VAL 138.A O no hydrogen 3.127 N/A LYS 170.A N MET 140.A O no hydrogen 2.805 N/A ILE 171.A N ILE 201.A O no hydrogen 2.922 N/A ALA 172.A N ASN 142.A O no hydrogen 2.996 N/A VAL 173.A N MET 203.A O no hydrogen 3.010 N/A GLN 176.A N ASP 180.A OD2 no hydrogen 2.745 N/A THR 177.A N ASP 180.A OD2 no hydrogen 3.316 N/A ASP 180.A N THR 177.A O no hydrogen 3.166 N/A ASP 180.A N THR 177.A OG1 no hydrogen 3.090 N/A VAL 181.A N LYS 178.A O no hydrogen 2.926 N/A LEU 182.A N LYS 178.A O no hydrogen 3.480 N/A THR 183.A N ALA 179.A O no hydrogen 2.934 N/A THR 183.A OG1 ALA 179.A O no hydrogen 3.251 N/A LEU 184.A N ASP 180.A O no hydrogen 3.196 N/A LEU 185.A N VAL 181.A O no hydrogen 3.031 N/A THR 186.A N LEU 182.A O no hydrogen 2.784 N/A THR 186.A OG1 LEU 182.A O no hydrogen 3.112 N/A ALA 187.A N THR 183.A O no hydrogen 2.990 N/A THR 188.A N LEU 184.A O no hydrogen 2.989 N/A THR 188.A OG1 LEU 184.A O no hydrogen 2.733 N/A THR 188.A OG1 THR 202.A OG1 no hydrogen 2.745 N/A VAL 189.A N LEU 185.A O no hydrogen 3.007 N/A GLU 190.A N THR 186.A O no hydrogen 2.873 N/A MET 191.A N ALA 187.A O no hydrogen 2.891 N/A GLN 192.A N THR 188.A O no hydrogen 2.959 N/A GLU 193.A N VAL 189.A O no hydrogen 2.924 N/A ARG 194.A N GLU 190.A O no hydrogen 3.000 N/A TYR 195.A N MET 191.A O no hydrogen 2.957 N/A ALA 196.A N MET 191.A O no hydrogen 2.757 N/A ASP 197.A N GLN 162.A OE1.A no hydrogen 2.899 N/A ARG 198.A NE ALA 166.A O no hydrogen 3.326 N/A ARG 198.A NH1 ASP 197.A O no hydrogen 3.038 N/A ILE 201.A N PRO 169.A O no hydrogen 2.860 N/A THR 202.A N SER 221.A OG no hydrogen 2.980 N/A THR 202.A OG1 THR 188.A OG1 no hydrogen 2.745 N/A MET 203.A N ILE 171.A O no hydrogen 2.974 N/A SER 204.A N SER 212.A OG no hydrogen 2.822 N/A MET 205.A N VAL 173.A O no hydrogen 2.761 N/A SER 206.A OG MET 205.A O no hydrogen 2.634 N/A THR 208.A N SER 206.A OG no hydrogen 3.292 N/A GLY 209.A N SER 206.A O no hydrogen 3.001 N/A VAL 210.A N.A LYS 207.A O no hydrogen 3.177 N/A VAL 210.A N.B LYS 207.A O no hydrogen 3.178 N/A SER 212.A N GLY 209.A O no hydrogen 2.865 N/A SER 212.A OG SER 204.A O no hydrogen 3.173 N/A SER 212.A OG GLY 209.A O no hydrogen 2.713 N/A ARG 213.A N VAL 210.A O.A no hydrogen 2.872 N/A ARG 213.A N VAL 210.A O.B no hydrogen 2.718 N/A ARG 213.A NH1 PHE 225.A O no hydrogen 2.831 N/A ARG 213.A NH1 GLN 232.A OE1 no hydrogen 2.885 N/A LEU 214.A N ILE 211.A O no hydrogen 3.026 N/A ALA 215.A N ILE 211.A O no hydrogen 2.995 N/A PHE 219.A N ALA 215.A O no hydrogen 3.084 N/A GLY 220.A N GLY 216.A O no hydrogen 2.756 N/A SER 221.A OG THR 202.A O no hydrogen 3.258 N/A SER 221.A OG ALA 223.A O no hydrogen 3.168 N/A ALA 222.A N ILE 200.A O no hydrogen 2.748 N/A THR 224.A N.A LYS 17.A O no hydrogen 2.840 N/A THR 224.A N.B LYS 17.A O no hydrogen 2.992 N/A THR 224.A OG1.A ARG 213.A O no hydrogen 3.010 N/A THR 224.A OG1.B ARG 213.A O no hydrogen 3.276 N/A GLY 226.A N ILE 19.A O no hydrogen 3.173 N/A ALA 227.A N ILE 233.A O no hydrogen 3.011 N/A LYS 229.A NZ GLN 232.A O no hydrogen 2.978 N/A VAL 235.A N ALA 227.A O no hydrogen 2.932 N/A ASP 237.A N SER 234.A OG no hydrogen 3.042 N/A LEU 238.A N SER 234.A O no hydrogen 2.842 N/A ARG 239.A N VAL 235.A O no hydrogen 2.919 N/A ARG 239.A NE ASP 41.A OD2 no hydrogen 3.127 N/A ARG 239.A NH2 ASP 41.A O no hydrogen 3.478 N/A ARG 239.A NH2 ASP 43.A OD2 no hydrogen 2.790 N/A THR 240.A N ALA 236.A O no hydrogen 3.064 N/A THR 240.A OG1 ALA 236.A O no hydrogen 3.023 N/A VAL 241.A N ASP 237.A O no hydrogen 3.033 N/A LEU 242.A N LEU 238.A O no hydrogen 2.829 N/A THR 243.A N ARG 239.A O no hydrogen 2.886 N/A THR 243.A OG1 ARG 239.A O no hydrogen 2.770 N/A ILE 244.A N THR 240.A O no hydrogen 3.146 N/A LEU 245.A N VAL 241.A O no hydrogen 2.951 N/A HIS 246.A N THR 243.A O no hydrogen 3.085 N/A HIS 246.A ND1 GLU 217.A OE1 no hydrogen 2.730 N/A HIS 246.A ND1 GLU 217.A OE2 no hydrogen 3.044 N/A GLN 247.A N THR 243.A O no hydrogen 3.280 N/A GLN 247.A N ILE 244.A O no hydrogen 3.256 N/A