Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4fue_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 1.A N GLY 141.A O no hydrogen 3.153 N/A ILE 1.A N LYS 142.A O no hydrogen 2.869 N/A ILE 1.A N ASP 197.A OD1 no hydrogen 3.377 N/A ILE 1.A N ASP 197.A OD2 no hydrogen 2.793 N/A ILE 2.A N ASP 192.A O no hydrogen 2.922 N/A GLU 5.A N MET 156.A O no hydrogen 2.921 N/A THR 7.A N LEU 154.A O no hydrogen 2.822 N/A THR 7.A OG1 THR 8.A O no hydrogen 3.451 N/A THR 7.A OG1 GLN 12.A OE1.B no hydrogen 2.998 N/A ILE 9.A N SER 64.A OG no hydrogen 2.843 N/A ASN 11.A N THR 8.A O no hydrogen 3.134 N/A GLN 12.A N ILE 9.A O no hydrogen 3.009 N/A GLN 12.A NE2.A GLU 136.A OE2 no hydrogen 3.033 N/A PHE 15.A N GLN 12.A O no hydrogen 3.031 N/A ALA 16.A N GLY 33.A O no hydrogen 2.960 N/A ALA 17.A N TYR 60.A O no hydrogen 3.011 N/A ILE 18.A N CYS 31.A O no hydrogen 3.119 N/A TYR 19.A N ILE 58.A O no hydrogen 2.861 N/A TYR 19.A OH LEU 66.A O no hydrogen 2.730 N/A ARG 20.A N THR 28.A O no hydrogen 2.938 N/A ARG 21.A N ASP 56.A O no hydrogen 2.658 N/A ARG 21.A NH1.A GLU 55.A O no hydrogen 3.073 N/A ARG 21.A NH2.A GLU 77.A OE2 no hydrogen 2.987 N/A HIS 22.A N SER 26.A O no hydrogen 2.790 N/A HIS 22.A NE2 THR 28.A OG1 no hydrogen 2.635 N/A GLY 25.A N HIS 22.A O no hydrogen 3.030 N/A THR 28.A N ARG 20.A O no hydrogen 3.159 N/A THR 28.A OG1 HIS 22.A NE2 no hydrogen 2.635 N/A VAL 30.A N ILE 18.A O no hydrogen 2.873 N/A CYS 31.A N ILE 18.A O no hydrogen 3.397 N/A CYS 31.A SG VAL 30.A O no hydrogen 3.139 N/A GLY 32.A N SER 198.A O no hydrogen 3.061 N/A SER 34.A N ILE 42.A O no hydrogen 2.848 N/A LEU 35.A N TRP 14.A O no hydrogen 2.837 N/A ILE 36.A N TRP 40.A O no hydrogen 2.892 N/A SER 37.A N TRP 40.A O no hydrogen 3.502 N/A TRP 40.A N SER 37.A O no hydrogen 2.949 N/A VAL 41.A N LEU 101.A O no hydrogen 2.927 N/A ILE 42.A N SER 34.A O no hydrogen 2.790 N/A SER 43.A N ALA 99.A O no hydrogen 2.912 N/A SER 43.A OG GLY 32.A O no hydrogen 2.675 N/A THR 45.A OG1 ILE 98.A O no hydrogen 2.486 N/A HIS 46.A N ASP 97.A OD2 no hydrogen 2.925 N/A HIS 46.A ND1 ASP 97.A OD1 no hydrogen 2.567 N/A HIS 46.A NE2 SER 198.A OG no hydrogen 3.081 N/A CYS 47.A N ALA 44.A O no hydrogen 3.203 N/A PHE 48.A N THR 45.A O no hydrogen 2.878 N/A ILE 49.A N THR 45.A O no hydrogen 3.084 N/A TYR 51.A N PHE 48.A O no hydrogen 2.953 N/A ASP 56.A N LYS 53.A O no hydrogen 3.329 N/A TYR 57.A N LYS 54.A O no hydrogen 3.328 N/A TYR 57.A OH TYR 51.A O no hydrogen 2.630 N/A ILE 58.A N TYR 19.A O no hydrogen 2.908 N/A VAL 59.A N PHE 76.A O no hydrogen 3.034 N/A TYR 60.A N ALA 17.A O no hydrogen 2.892 N/A LEU 61.A N MET 74.A O no hydrogen 3.094 N/A ARG 63.A NE GLU 73.A OE1 no hydrogen 2.842 N/A ARG 63.A NH1 TYR 19.A OH no hydrogen 3.315 N/A ARG 63.A NH1 LEU 66.A O no hydrogen 3.321 N/A ARG 63.A NH2 GLU 73.A OE1 no hydrogen 3.376 N/A ARG 63.A NH2 GLU 73.A OE2 no hydrogen 3.049 N/A SER 64.A N THR 70.A OG1 no hydrogen 3.008 N/A LEU 66.A N GLU 152.A O no hydrogen 2.884 N/A ASN 67.A N GLU 152.A OE2 no hydrogen 2.811 N/A ASN 67.A ND2 GLU 152.A OE1 no hydrogen 2.775 N/A ASN 69.A ND2 GLU 73.A OE2 no hydrogen 2.890 N/A THR 70.A N GLU 73.A OE1 no hydrogen 3.074 N/A GLU 73.A N THR 70.A O no hydrogen 3.016 N/A MET 74.A N LEU 61.A O no hydrogen 2.980 N/A PHE 76.A N VAL 59.A O no hydrogen 2.809 N/A GLU 77.A N ARG 104.A O no hydrogen 2.864 N/A GLU 79.A N LYS 102.A O no hydrogen 2.713 N/A ASN 80.A N LYS 102.A O no hydrogen 3.434 N/A ILE 82.A N LEU 100.A O no hydrogen 2.753 N/A HIS 84.A N THR 45.A OG1 no hydrogen 3.240 N/A LYS 85.A NZ ASP 86.A OD1 no hydrogen 3.550 N/A ASP 86.A N HIS 84.A ND1 no hydrogen 2.870 N/A TYR 87.A N HIS 84.A O no hydrogen 3.103 N/A TYR 87.A OH HIS 94.A ND1 no hydrogen 2.820 N/A SER 88.A N HIS 95.A O no hydrogen 3.117 N/A ASP 90.A N ALA 93.A O no hydrogen 2.754 N/A HIS 94.A ND1 TYR 87.A OH no hydrogen 2.820 N/A HIS 95.A N SER 88.A O no hydrogen 2.730 N/A HIS 95.A NE2 ASP 90.A OD2 no hydrogen 2.556 N/A ASN 96.A ND2 ASP 86.A O no hydrogen 2.826 N/A ILE 98.A N ASN 96.A O no hydrogen 3.017 N/A ALA 99.A N SER 43.A O no hydrogen 2.987 N/A LEU 100.A N ILE 82.A O no hydrogen 2.823 N/A LEU 101.A N VAL 41.A O no hydrogen 2.721 N/A LYS 102.A N ASN 80.A O no hydrogen 2.777 N/A ILE 103.A N CYS 39.A O no hydrogen 2.928 N/A ARG 104.A N GLU 77.A O no hydrogen 3.003 N/A SER 105.A N ARG 109.A O no hydrogen 2.679 N/A SER 105.A OG ARG 109.A O no hydrogen 3.426 N/A GLY 108.A N SER 105.A O no hydrogen 2.860 N/A ARG 109.A N SER 105.A OG no hydrogen 3.027 N/A CYS 110.A SG ILE 103.A O no hydrogen 3.844 N/A ALA 111.A N PRO 38.A O no hydrogen 2.883 N/A GLN 112.A NE2 PRO 113.A O no hydrogen 3.238 N/A SER 114.A N ILE 117.A O no hydrogen 2.741 N/A ARG 115.A NH1 GLU 10.A OE1 no hydrogen 2.857 N/A THR 116.A N SER 114.A OG no hydrogen 3.295 N/A ILE 117.A N SER 114.A O no hydrogen 3.405 N/A GLN 118.A N PRO 13.A O no hydrogen 3.093 N/A GLN 118.A NE2.A SER 114.A O no hydrogen 2.683 N/A GLN 118.A NE2.B ARG 115.A O no hydrogen 2.937 N/A ILE 120.A N LEU 35.A O no hydrogen 2.965 N/A ASN 127.A ND2 SER 124.A OG no hydrogen 3.271 N/A ASN 127.A ND2 GLN 207.A OE1 no hydrogen 3.336 N/A GLY 132.A N LEU 161.A O no hydrogen 2.823 N/A THR 133.A N GLN 130.A O no hydrogen 3.303 N/A THR 133.A OG1 GLN 130.A O no hydrogen 2.688 N/A CYS 135.A N VAL 159.A O no hydrogen 2.803 N/A GLU 136.A N VAL 203.A O no hydrogen 2.957 N/A ILE 137.A N THR 157.A O no hydrogen 3.005 N/A THR 138.A OG1 GLN 12.A OE1.A no hydrogen 2.640 N/A GLY 139.A N LYS 155.A O no hydrogen 3.113 N/A GLY 141.A N ASP 197.A OD1 no hydrogen 2.839 N/A LYS 142.A N GLN 195.A O no hydrogen 2.932 N/A LYS 142.A NZ SER 145.A O no hydrogen 3.157 N/A LYS 142.A NZ ASP 147.A O no hydrogen 2.908 N/A ASP 147.A N GLN 144.A O no hydrogen 3.076 N/A GLN 153.A NE2 THR 7.A O no hydrogen 3.176 N/A LEU 154.A N SER 64.A O no hydrogen 3.207 N/A LYS 155.A N GLY 139.A O no hydrogen 3.150 N/A LYS 155.A NZ ILE 1.A O no hydrogen 3.022 N/A LYS 155.A NZ GLY 3.A O no hydrogen 2.799 N/A LYS 155.A NZ GLU 143.A OE1 no hydrogen 2.860 N/A MET 156.A N GLU 5.A O no hydrogen 2.949 N/A THR 157.A N ILE 137.A O no hydrogen 3.085 N/A THR 157.A OG1 THR 191.A OG1 no hydrogen 2.664 N/A VAL 159.A N CYS 135.A O no hydrogen 2.848 N/A LYS 160.A N ALA 185.A O no hydrogen 2.781 N/A LEU 161.A N THR 133.A O no hydrogen 2.977 N/A ILE 162.A N CYS 183.A O no hydrogen 2.774 N/A GLU 166.A N SER 163.A OG no hydrogen 3.060 N/A CYS 167.A N SER 163.A O no hydrogen 2.954 N/A GLN 168.A N HIS 164.A O no hydrogen 2.890 N/A GLN 169.A N GLU 166.A O no hydrogen 3.170 N/A GLN 169.A NE2 ARG 165.A O no hydrogen 2.899 N/A TYR 172.A N GLN 169.A O no hydrogen 3.035 N/A TYR 173.A N CYS 167.A O no hydrogen 3.005 N/A TYR 173.A OH PRO 228.A O no hydrogen 2.581 N/A GLY 174.A N GLN 169.A O no hydrogen 3.146 N/A GLU 176.A N TYR 173.A O no hydrogen 3.150 N/A LYS 180.A N THR 178.A OG1 no hydrogen 3.280 N/A LYS 180.A NZ ASN 96.A OD1 no hydrogen 2.635 N/A MET 181.A N THR 178.A O no hydrogen 3.114 N/A LEU 182.A N TYR 231.A O no hydrogen 2.781 N/A ALA 184.A N GLY 229.A O no hydrogen 2.994 N/A ALA 185.A N LYS 160.A O no hydrogen 2.908 N/A GLN 188.A N ASP 186.A OD1 no hydrogen 3.102 N/A TRP 189.A N ASP 186.A O no hydrogen 2.851 N/A LYS 190.A N ASP 186.A OD2 no hydrogen 2.762 N/A THR 191.A N ASP 186.A OD2 no hydrogen 3.336 N/A THR 191.A OG1 ILE 2.A O no hydrogen 2.619 N/A THR 191.A OG1 THR 157.A OG1 no hydrogen 2.664 N/A ASP 192.A N ILE 2.A O no hydrogen 3.278 N/A SER 193.A N ASP 192.A OD1 no hydrogen 2.845 N/A SER 193.A OG TYR 231.A OH no hydrogen 2.931 N/A CYS 194.A N ASP 197.A OD2 no hydrogen 2.764 N/A ASP 197.A N CYS 194.A O no hydrogen 2.939 N/A SER 198.A OG HIS 46.A NE2 no hydrogen 3.081 N/A GLY 199.A N VAL 216.A O no hydrogen 2.964 N/A GLY 200.A N ASP 197.A O no hydrogen 3.158 N/A LEU 202.A N GLY 214.A O no hydrogen 2.878 N/A VAL 203.A N GLU 136.A O no hydrogen 2.948 N/A CYS 204.A N THR 211.A O no hydrogen 3.031 N/A LEU 206.A N ARG 209.A O no hydrogen 2.890 N/A GLN 207.A NE2 ASN 127.A OD1 no hydrogen 3.002 N/A ARG 209.A N LEU 206.A O no hydrogen 3.011 N/A THR 211.A N CYS 204.A O no hydrogen 2.872 N/A THR 211.A OG1 ARG 209.A O no hydrogen 2.931 N/A LEU 212.A N ALA 121.A O no hydrogen 2.834 N/A THR 213.A N LEU 202.A O no hydrogen 2.958 N/A GLY 214.A N LEU 202.A O no hydrogen 3.050 N/A ILE 215.A N THR 232.A O no hydrogen 3.309 N/A VAL 216.A N GLY 200.A O no hydrogen 2.891 N/A SER 217.A N VAL 230.A O no hydrogen 3.030 N/A SER 217.A OG ASP 97.A OD1 no hydrogen 2.706 N/A TRP 218.A N VAL 230.A O no hydrogen 2.975 N/A ARG 220.A N TYR 173.A OH no hydrogen 3.025 N/A CYS 222.A SG SER 193.A O no hydrogen 4.037 N/A ALA 223.A N ASP 192.A OD2 no hydrogen 2.829 N/A LYS 227.A N LEU 224.A O no hydrogen 3.058 N/A LYS 227.A NZ HIS 171.A O no hydrogen 3.029 N/A LYS 227.A NZ TYR 172.A O no hydrogen 2.802 N/A GLY 229.A N ALA 184.A O no hydrogen 2.954 N/A VAL 230.A N TRP 218.A O no hydrogen 2.675 N/A TYR 231.A N LEU 182.A O no hydrogen 2.810 N/A THR 232.A N ILE 215.A O no hydrogen 2.927 N/A THR 232.A OG1 ASP 97.A O no hydrogen 2.770 N/A ARG 233.A N LYS 180.A O no hydrogen 3.126 N/A ARG 233.A NE THR 179.A O no hydrogen 2.713 N/A ARG 233.A NH1 SER 235.A OG no hydrogen 2.983 N/A ARG 233.A NH2 THR 179.A O no hydrogen 3.113 N/A VAL 234.A N THR 213.A O no hydrogen 3.277 N/A SER 235.A OG ASP 128.A OD1 no hydrogen 2.567 N/A SER 235.A OG ASP 128.A OD2 no hydrogen 3.375 N/A HIS 236.A N ARG 233.A O no hydrogen 3.149 N/A PHE 237.A N VAL 234.A O no hydrogen 2.782 N/A ILE 241.A N PHE 237.A O no hydrogen 2.933 N/A ARG 242.A N LEU 238.A O no hydrogen 3.042 N/A SER 243.A N PRO 239.A O no hydrogen 3.074 N/A SER 243.A OG.A PRO 239.A O no hydrogen 3.248 N/A SER 243.A OG.A TRP 240.A O no hydrogen 2.901 N/A SER 243.A OG.A HIS 244.A ND1 no hydrogen 3.049 N/A SER 243.A OG.B PRO 239.A O no hydrogen 2.890 N/A HIS 244.A N TRP 240.A O no hydrogen 3.091 N/A HIS 244.A ND1 TRP 240.A O no hydrogen 2.806 N/A THR 245.A N ARG 242.A O no hydrogen 3.293 N/A THR 245.A OG1 ILE 241.A O no hydrogen 2.781 N/A THR 245.A OG1 ARG 242.A O no hydrogen 3.220 N/A