Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5du6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 1.A N GLU 32.A OE2 no hydrogen 3.209 N/A MET 2.A N GLU 32.A OE1 no hydrogen 3.106 N/A GLY 4.A N GLU 15.A O no hydrogen 2.654 N/A THR 6.A N THR 13.A O no hydrogen 2.927 N/A GLN 7.A NE2 SER 44.A OG no hydrogen 2.884 N/A ALA 8.A N VAL 11.A O no hydrogen 2.954 N/A VAL 11.A N ALA 8.A O no hydrogen 3.322 N/A LEU 12.A N ALA 47.A O no hydrogen 2.916 N/A THR 13.A N THR 6.A O no hydrogen 2.646 N/A ILE 14.A N VAL 49.A O no hydrogen 2.845 N/A GLU 15.A N GLY 4.A O no hydrogen 2.609 N/A LEU 16.A N THR 51.A O no hydrogen 2.999 N/A GLN 17.A N MET 2.A O no hydrogen 3.094 N/A ARG 18.A N ASN 23.A OD1 no hydrogen 2.932 N/A ARG 18.A NH1 ALA 24.A O no hydrogen 2.830 N/A ARG 18.A NH1 ASP 62.A OD1 no hydrogen 3.412 N/A ARG 18.A NH2 ASP 62.A OD1 no hydrogen 3.110 N/A GLU 20.A N GLU 20.A OE1 no hydrogen 2.683 N/A ARG 21.A N ARG 18.A O no hydrogen 2.987 N/A ARG 21.A NH2 ASP 62.A OD2 no hydrogen 3.142 N/A ARG 22.A N PRO 19.A O no hydrogen 2.966 N/A ASN 23.A N ARG 18.A O no hydrogen 2.584 N/A ASN 23.A ND2 GLN 53.A O no hydrogen 2.810 N/A ASN 23.A ND2 ALA 56.A O no hydrogen 2.831 N/A ASN 23.A ND2 PHE 57.A O no hydrogen 3.627 N/A ALA 24.A N ARG 21.A O no hydrogen 2.946 N/A LEU 25.A N GLY 60.A O no hydrogen 2.805 N/A GLN 28.A NE2 GLU 32.A OE2 no hydrogen 2.919 N/A LEU 29.A N ASN 26.A OD1 no hydrogen 2.979 N/A VAL 30.A N ASN 26.A O no hydrogen 2.804 N/A GLU 31.A N SER 27.A O no hydrogen 2.957 N/A GLU 32.A N GLN 28.A O no hydrogen 3.039 N/A LEU 33.A N LEU 29.A O no hydrogen 3.215 N/A THR 34.A N VAL 30.A O no hydrogen 3.091 N/A THR 34.A OG1 VAL 30.A O no hydrogen 3.190 N/A GLN 35.A N GLU 31.A O no hydrogen 3.109 N/A ALA 36.A N GLU 32.A O no hydrogen 2.801 N/A ILE 37.A N LEU 33.A O no hydrogen 2.973 N/A ARG 38.A N THR 34.A O no hydrogen 2.936 N/A LYS 39.A N GLN 35.A O no hydrogen 2.748 N/A ALA 40.A N ILE 37.A O no hydrogen 3.202 N/A ARG 46.A N ALA 10.A O no hydrogen 2.671 N/A ALA 47.A N ALA 10.A O no hydrogen 3.117 N/A ILE 48.A N PRO 87.A O no hydrogen 2.953 N/A VAL 49.A N LEU 12.A O no hydrogen 2.773 N/A LEU 50.A N VAL 89.A O no hydrogen 2.932 N/A THR 51.A N ILE 14.A O no hydrogen 3.260 N/A THR 51.A OG1 ALA 91.A O no hydrogen 2.845 N/A THR 51.A OG1 ASN 93.A OD1 no hydrogen 3.383 N/A GLY 52.A N ASN 93.A OD1 no hydrogen 2.939 N/A GLN 53.A N LEU 16.A O no hydrogen 3.050 N/A CYS 58.A N PRO 95.A O no hydrogen 3.218 N/A CYS 58.A SG ASN 23.A O no hydrogen 3.403 N/A CYS 58.A SG GLY 60.A O no hydrogen 3.381 N/A ALA 59.A N ARG 22.A O no hydrogen 2.916 N/A ASP 62.A N LEU 25.A O no hydrogen 2.889 N/A SER 64.A OG ASP 62.A OD2 no hydrogen 3.563 N/A TYR 70.A OH LEU 25.A O no hydrogen 2.865 N/A ARG 73.A N ASP 69.A O no hydrogen 3.396 N/A ARG 73.A NH1 SER 27.A O no hydrogen 3.563 N/A LEU 74.A N TYR 70.A O no hydrogen 2.947 N/A ILE 75.A N PRO 71.A O no hydrogen 3.237 N/A ILE 75.A N ASP 72.A O no hydrogen 2.957 N/A GLU 76.A N ASP 72.A O no hydrogen 2.924 N/A LEU 77.A N ARG 73.A O no hydrogen 3.027 N/A HIS 78.A ND1 GLN 106.A OE1 no hydrogen 2.835 N/A LYS 79.A N ILE 75.A O no hydrogen 2.819 N/A LYS 79.A NZ GLU 76.A OE2 no hydrogen 3.200 N/A ALA 80.A N GLU 76.A O no hydrogen 2.691 N/A MET 81.A N LEU 77.A O no hydrogen 3.091 N/A ASP 82.A N HIS 78.A O no hydrogen 2.943 N/A ALA 83.A N ALA 80.A O no hydrogen 3.211 N/A SER 84.A N ALA 80.A O no hydrogen 2.848 N/A SER 84.A N MET 81.A O no hydrogen 3.232 N/A SER 84.A OG MET 86.A O no hydrogen 3.563 N/A VAL 88.A N ASP 108.A OD2 no hydrogen 3.024 N/A VAL 89.A N ILE 48.A O no hydrogen 2.855 N/A GLY 90.A N LEU 109.A O no hydrogen 2.731 N/A ALA 91.A N LEU 50.A O no hydrogen 2.717 N/A ILE 92.A N VAL 111.A O no hydrogen 2.931 N/A ASN 93.A ND2 GLY 54.A O no hydrogen 3.091 N/A ASN 93.A ND2 ALA 56.A O no hydrogen 3.202 N/A ALA 96.A N PHE 117.A O no hydrogen 2.979 N/A ILE 97.A N CYS 58.A O no hydrogen 2.964 N/A GLY 98.A N GLN 119.A O no hydrogen 2.793 N/A GLY 100.A N ILE 97.A O no hydrogen 2.972 N/A GLN 102.A N GLY 98.A O no hydrogen 3.026 N/A GLN 102.A NE2 SER 133.A OG no hydrogen 2.822 N/A LEU 103.A N ALA 99.A O no hydrogen 2.900 N/A ALA 104.A N GLY 100.A O no hydrogen 3.036 N/A MET 105.A N LEU 101.A O no hydrogen 2.903 N/A GLN 106.A N LEU 103.A O no hydrogen 3.119 N/A GLN 106.A NE2 GLN 106.A O no hydrogen 3.679 N/A CYS 107.A N LEU 103.A O no hydrogen 3.373 N/A CYS 107.A SG LEU 103.A O no hydrogen 3.853 N/A ASP 108.A N VAL 88.A O no hydrogen 2.825 N/A LEU 109.A N VAL 88.A O no hydrogen 3.294 N/A ARG 110.A N ASN 168.A OD1 no hydrogen 2.747 N/A ARG 110.A NE MET 166.A O no hydrogen 2.868 N/A ARG 110.A NH2 ALA 104.A O no hydrogen 3.082 N/A ARG 110.A NH2 CYS 107.A O no hydrogen 2.722 N/A VAL 111.A N GLY 90.A O no hydrogen 2.706 N/A VAL 112.A N ARG 169.A O no hydrogen 2.848 N/A ALA 113.A N ILE 92.A O no hydrogen 2.886 N/A ALA 116.A N ALA 113.A O no hydrogen 3.133 N/A PHE 118.A N LEU 156.A O no hydrogen 2.785 N/A GLN 119.A N ALA 96.A O no hydrogen 3.334 N/A GLN 119.A NE2 ALA 153.A O no hydrogen 2.669 N/A THR 122.A OG1 LEU 127.A O no hydrogen 3.010 N/A LYS 124.A N PRO 121.A O no hydrogen 3.053 N/A TYR 125.A N THR 122.A O no hydrogen 3.314 N/A LEU 127.A N THR 122.A O no hydrogen 3.117 N/A ASN 131.A ND2 GLU 205.A OE1 no hydrogen 2.787 N/A ASN 131.A ND2 HIS 211.A ND1 no hydrogen 3.050 N/A SER 133.A N ASP 130.A OD2 no hydrogen 3.096 N/A SER 133.A OG ASP 130.A OD1 no hydrogen 2.796 N/A SER 133.A OG ASP 130.A OD2 no hydrogen 3.390 N/A ARG 135.A N ASN 131.A O no hydrogen 2.869 N/A ARG 135.A NE GLU 205.A OE1 no hydrogen 3.181 N/A ARG 135.A NH2 GLU 205.A OE1 no hydrogen 3.210 N/A ARG 136.A N TRP 132.A O no hydrogen 2.738 N/A ARG 136.A NH1 SER 139.A OG no hydrogen 2.892 N/A ARG 136.A NH1 ASP 201.A OD2 no hydrogen 2.928 N/A ARG 136.A NH2 ASP 201.A OD1 no hydrogen 3.163 N/A LEU 137.A N SER 133.A O no hydrogen 3.115 N/A SER 138.A N ILE 134.A O no hydrogen 3.150 N/A SER 138.A OG ILE 134.A O no hydrogen 2.811 N/A SER 139.A N ARG 135.A O no hydrogen 2.962 N/A SER 139.A OG ARG 136.A O no hydrogen 2.557 N/A LEU 140.A N ARG 136.A O no hydrogen 2.970 N/A LEU 140.A N LEU 137.A O no hydrogen 3.056 N/A VAL 141.A N LEU 137.A O no hydrogen 2.945 N/A GLY 142.A N SER 138.A O no hydrogen 2.875 N/A ALA 146.A N GLY 142.A O no hydrogen 2.985 N/A ARG 147.A N HIS 143.A O no hydrogen 2.877 N/A ARG 147.A NH1 HIS 143.A NE2 no hydrogen 2.799 N/A MET 149.A N ARG 145.A O no hydrogen 2.861 N/A LEU 150.A N ALA 146.A O no hydrogen 2.877 N/A LEU 151.A N ARG 147.A O no hydrogen 2.769 N/A SER 152.A N ALA 148.A O no hydrogen 3.119 N/A SER 152.A OG ALA 148.A O no hydrogen 3.235 N/A LEU 156.A N PHE 118.A O no hydrogen 2.865 N/A THR 157.A OG1 GLU 159.A OE1 no hydrogen 3.262 N/A GLU 159.A N GLU 159.A OE1 no hydrogen 2.584 N/A ILE 160.A N THR 157.A OG1 no hydrogen 3.323 N/A ALA 161.A N THR 157.A O no hydrogen 2.810 N/A LEU 162.A N ALA 158.A O no hydrogen 2.883 N/A HIS 163.A N GLU 159.A O no hydrogen 3.042 N/A THR 164.A N ILE 160.A O no hydrogen 2.862 N/A THR 164.A N ALA 161.A O no hydrogen 3.261 N/A THR 164.A OG1 LEU 140.A O no hydrogen 3.055 N/A THR 164.A OG1 ILE 160.A O no hydrogen 3.461 N/A THR 164.A OG1 ALA 161.A O no hydrogen 3.342 N/A GLY 165.A N ALA 161.A O no hydrogen 2.870 N/A MET 166.A N THR 164.A OG1 no hydrogen 3.400 N/A ALA 167.A N ALA 161.A O no hydrogen 3.092 N/A ASN 168.A N ARG 110.A O no hydrogen 2.997 N/A ARG 169.A N ARG 110.A O no hydrogen 3.395 N/A GLY 171.A N VAL 112.A O no hydrogen 3.042 N/A THR 172.A N ASP 175.A OD2 no hydrogen 2.773 N/A ASP 175.A N THR 172.A OG1 no hydrogen 3.266 N/A ALA 176.A N THR 172.A O no hydrogen 3.203 N/A GLN 177.A N LEU 173.A O no hydrogen 2.785 N/A GLN 177.A NE2 THR 13.A OG1 no hydrogen 2.888 N/A ALA 178.A N ALA 174.A O no hydrogen 2.917 N/A TRP 179.A N ASP 175.A O no hydrogen 2.962 N/A ALA 180.A N ALA 176.A O no hydrogen 2.855 N/A ALA 181.A N GLN 177.A O no hydrogen 3.061 N/A GLU 182.A N ALA 178.A O no hydrogen 3.224 N/A ILE 183.A N TRP 179.A O no hydrogen 3.089 N/A ALA 184.A N ALA 180.A O no hydrogen 2.724 N/A ARG 185.A N GLU 182.A O no hydrogen 2.883 N/A LEU 186.A N ILE 183.A O no hydrogen 3.066 N/A ILE 191.A N ALA 187.A O no hydrogen 3.120 N/A GLN 192.A N PRO 188.A O no hydrogen 2.844 N/A HIS 193.A N LEU 189.A O no hydrogen 3.076 N/A ALA 194.A N ALA 190.A O no hydrogen 3.354 N/A LYS 195.A N ILE 191.A O no hydrogen 2.968 N/A LYS 195.A NZ MET 81.A O no hydrogen 2.916 N/A LYS 195.A NZ SER 84.A O no hydrogen 3.214 N/A LYS 195.A NZ MET 86.A O no hydrogen 3.346 N/A LYS 195.A NZ ASP 108.A OD2 no hydrogen 2.799 N/A ARG 196.A N GLN 192.A O no hydrogen 3.138 N/A ARG 196.A NE ASP 200.A OD1 no hydrogen 3.223 N/A ARG 196.A NE ASP 200.A OD2 no hydrogen 3.002 N/A ARG 196.A NH1 ASP 82.A O no hydrogen 2.927 N/A ARG 196.A NH1 ASP 82.A OD2 no hydrogen 3.429 N/A ARG 196.A NH2 ASP 82.A OD1 no hydrogen 2.849 N/A ARG 196.A NH2 ASP 82.A OD2 no hydrogen 3.219 N/A ARG 196.A NH2 ASP 200.A OD1 no hydrogen 2.863 N/A VAL 197.A N HIS 193.A O no hydrogen 2.914 N/A LEU 198.A N ALA 194.A O no hydrogen 2.792 N/A ASN 199.A N LYS 195.A O no hydrogen 2.909 N/A ASN 199.A ND2 ASP 82.A OD1 no hydrogen 2.947 N/A ASP 200.A N ARG 196.A O no hydrogen 3.044 N/A ASP 200.A N VAL 197.A O no hydrogen 3.186 N/A ASP 201.A N LEU 198.A O no hydrogen 3.099 N/A ALA 203.A N ASP 201.A OD1 no hydrogen 3.024 N/A TRP 208.A N HIS 211.A ND1 no hydrogen 3.316 N/A LYS 212.A N TRP 208.A O no hydrogen 2.932 N/A GLU 213.A N PRO 209.A O no hydrogen 3.001 N/A LEU 214.A N ALA 210.A O no hydrogen 3.178 N/A PHE 215.A N HIS 211.A O no hydrogen 2.857 N/A ASP 216.A N LYS 212.A O no hydrogen 3.078 N/A LYS 217.A N GLU 213.A O no hydrogen 2.872 N/A ALA 218.A N LEU 214.A O no hydrogen 2.983 N/A TRP 219.A N PHE 215.A O no hydrogen 3.023 N/A TRP 219.A NE1 ALA 128.A O no hydrogen 3.000 N/A GLY 220.A N ASP 216.A O no hydrogen 2.856 N/A SER 221.A N ALA 218.A O no hydrogen 3.089 N/A SER 221.A OG ALA 218.A O no hydrogen 2.693 N/A GLN 222.A N ALA 242.A OXT no hydrogen 3.159 N/A ASP 223.A N ALA 242.A O no hydrogen 2.947 N/A VAL 224.A N SER 221.A O no hydrogen 3.339 N/A GLU 226.A N GLN 222.A O no hydrogen 3.076 N/A ALA 227.A N ASP 223.A O no hydrogen 3.008 N/A GLN 228.A N VAL 224.A O no hydrogen 3.223 N/A VAL 229.A N ILE 225.A O no hydrogen 3.070 N/A ALA 230.A N GLU 226.A O no hydrogen 2.847 N/A ARG 231.A N ALA 227.A O no hydrogen 3.000 N/A MET 232.A N GLN 228.A O no hydrogen 2.919 N/A GLU 233.A N VAL 229.A O no hydrogen 3.131 N/A GLU 233.A N ALA 230.A O no hydrogen 3.220 N/A LYS 234.A N ARG 231.A O no hydrogen 2.766 N/A ARG 235.A N ALA 230.A O no hydrogen 3.010 N/A ARG 235.A NE GLU 233.A OE1 no hydrogen 2.478 N/A ARG 235.A NH1 GLU 226.A OE2 no hydrogen 2.847 N/A ARG 235.A NH1 PRO 236.A O no hydrogen 2.989 N/A ARG 235.A NH2 GLU 226.A OE2 no hydrogen 2.866 N/A LYS 238.A N GLU 226.A OE2 no hydrogen 3.231 N/A GLN 240.A N ASP 223.A OD1 no hydrogen 2.816 N/A GLN 240.A N ASP 223.A OD2 no hydrogen 3.219 N/A GLY 241.A N ASP 223.A OD2 no hydrogen 2.616 N/A