Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xub_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A N ILE 276.A O no hydrogen 3.234 N/A HIS 2.A ND1 LEU 278.A OXT no hydrogen 2.856 N/A HIS 2.A NE2 ASP 28.A OD1 no hydrogen 2.743 N/A TYR 4.A N GLY 274.A O no hydrogen 2.915 N/A VAL 5.A N.A VAL 22.A O no hydrogen 3.038 N/A VAL 5.A N.B VAL 22.A O no hydrogen 2.992 N/A ILE 6.A N.A GLY 272.A O no hydrogen 2.884 N/A ILE 6.A N.B GLY 272.A O no hydrogen 2.830 N/A ILE 7.A N VAL 20.A O no hydrogen 2.964 N/A ASP 8.A N VAL 269.A O no hydrogen 2.831 N/A ALA 9.A N ASN 18.A O no hydrogen 2.954 N/A ALA 11.A N ASN 267.A O no hydrogen 3.172 N/A LEU 15.A N ASP 8.A OD2 no hydrogen 2.894 N/A GLU 16.A N VAL 13.A O no hydrogen 3.185 N/A GLY 17.A N PRO 245.A O no hydrogen 2.966 N/A ASN 18.A N ALA 9.A O no hydrogen 2.903 N/A VAL 20.A N ILE 7.A O no hydrogen 2.886 N/A ALA 21.A N GLU 45.A O no hydrogen 3.377 N/A VAL 22.A N VAL 5.A O.A no hydrogen 2.827 N/A VAL 22.A N VAL 5.A O.B no hydrogen 2.920 N/A PHE 23.A N THR 47.A O no hydrogen 2.865 N/A PHE 24.A N ASN 3.A O no hydrogen 3.037 N/A ALA 26.A N VAL 49.A O no hydrogen 3.038 N/A ASP 28.A N ASP 28.A OD1 no hydrogen 2.662 N/A LEU 29.A N ALA 26.A O no hydrogen 3.008 N/A MET 34.A N PRO 30.A O no hydrogen 2.974 N/A GLN 35.A N PRO 31.A O no hydrogen 2.949 N/A ARG 36.A N.A ALA 32.A O no hydrogen 3.052 N/A ARG 36.A N.B ALA 32.A O no hydrogen 3.037 N/A ARG 36.A NH1.A GLN 33.A OE1 no hydrogen 2.904 N/A ARG 36.A NH1.B GLN 33.A OE1 no hydrogen 2.730 N/A ILE 37.A N GLN 33.A O no hydrogen 2.918 N/A ALA 38.A N MET 34.A O no hydrogen 2.866 N/A ARG 39.A N GLN 35.A O no hydrogen 2.914 N/A GLU 40.A N ARG 36.A O.A no hydrogen 2.860 N/A GLU 40.A N ARG 36.A O.B no hydrogen 3.040 N/A MET 41.A N ILE 37.A O no hydrogen 2.944 N/A ASN 42.A N ALA 38.A O no hydrogen 2.960 N/A SER 44.A OG GLU 45.A OE1 no hydrogen 2.970 N/A SER 46.A N PHE 63.A O no hydrogen 2.900 N/A THR 47.A N ALA 21.A O no hydrogen 2.818 N/A THR 47.A OG1 THR 79.A OG1 no hydrogen 2.738 N/A PHE 48.A N ARG 61.A O no hydrogen 2.950 N/A VAL 49.A N PHE 23.A O no hydrogen 2.915 N/A LEU 50.A N LEU 59.A O no hydrogen 2.807 N/A LYS 51.A N ASP 27.A OD1 no hydrogen 2.844 N/A ARG 53.A N GLU 95.A OE1 no hydrogen 2.814 N/A ASN 54.A N GLU 95.A OE2 no hydrogen 2.792 N/A GLY 56.A N GLU 95.A OE2 no hydrogen 2.842 N/A ASP 57.A N TYR 93.A O no hydrogen 2.790 N/A LEU 59.A N LEU 50.A O no hydrogen 2.900 N/A ILE 60.A N GLU 95.A O no hydrogen 2.879 N/A ARG 61.A N PHE 48.A O no hydrogen 3.089 N/A ARG 61.A NE GLU 68.A OE2 no hydrogen 3.009 N/A ARG 61.A NH2 GLU 68.A OE1 no hydrogen 2.948 N/A PHE 63.A N SER 46.A O no hydrogen 2.904 N/A THR 64.A N ASN 67.A O no hydrogen 2.822 N/A THR 64.A OG1 ASN 67.A O no hydrogen 3.212 N/A VAL 66.A N.A THR 64.A OG1 no hydrogen 3.073 N/A VAL 66.A N.B THR 64.A OG1 no hydrogen 3.057 N/A ASN 67.A N THR 64.A OG1 no hydrogen 2.954 N/A LEU 69.A N ILE 62.A O no hydrogen 2.861 N/A LEU 76.A N ALA 72.A O no hydrogen 3.278 N/A LEU 77.A N GLY 73.A O no hydrogen 2.909 N/A GLY 78.A N ALA 74.A O no hydrogen 2.901 N/A THR 79.A N PRO 75.A O no hydrogen 2.940 N/A THR 79.A OG1 THR 47.A OG1 no hydrogen 2.738 N/A THR 79.A OG1 PRO 75.A O no hydrogen 2.775 N/A ALA 80.A N LEU 76.A O no hydrogen 2.930 N/A ILE 81.A N LEU 77.A O no hydrogen 2.998 N/A ALA 82.A N GLY 78.A O no hydrogen 2.860 N/A LEU 83.A N THR 79.A O no hydrogen 2.855 N/A GLY 84.A N ALA 80.A O no hydrogen 2.971 N/A ALA 85.A N ALA 82.A O no hydrogen 3.190 N/A HIS 86.A N LEU 83.A O no hydrogen 2.825 N/A THR 87.A N GLY 84.A O no hydrogen 3.428 N/A ASN 89.A N THR 87.A OG1 no hydrogen 3.145 N/A LEU 92.A N PHE 103.A O no hydrogen 2.972 N/A TYR 93.A N ASP 57.A OD2 no hydrogen 2.881 N/A LEU 94.A N ILE 101.A O no hydrogen 2.971 N/A GLU 95.A N ALA 58.A O no hydrogen 2.809 N/A THR 96.A N GLY 99.A O no hydrogen 3.026 N/A THR 96.A OG1 GLY 99.A O no hydrogen 2.693 N/A MET 98.A N THR 96.A OG1 no hydrogen 2.956 N/A GLY 99.A N THR 96.A O no hydrogen 2.980 N/A ILE 101.A N LEU 94.A O no hydrogen 2.808 N/A PHE 103.A N LEU 92.A O no hydrogen 2.859 N/A GLU 104.A N SER 116.A O.A no hydrogen 2.744 N/A GLU 104.A N SER 116.A O.B no hydrogen 3.027 N/A LEU 105.A N HIS 90.A O no hydrogen 2.865 N/A GLU 106.A N ALA 114.A O no hydrogen 2.911 N/A ARG 107.A NH1 ASN 89.A O no hydrogen 2.758 N/A ARG 107.A NH2 GLY 84.A O no hydrogen 3.548 N/A ARG 107.A NH2 THR 87.A O no hydrogen 2.965 N/A ARG 107.A NH2 ASN 89.A O no hydrogen 2.944 N/A GLN 108.A N SER 111.A O no hydrogen 2.885 N/A SER 111.A N GLN 108.A O no hydrogen 3.059 N/A ILE 113.A N GLU 106.A O no hydrogen 2.863 N/A ALA 114.A N GLU 106.A O no hydrogen 3.386 N/A ALA 115.A N GLY 266.A O no hydrogen 3.001 N/A SER 116.A N.A GLU 104.A O no hydrogen 2.915 N/A SER 116.A N.B GLU 104.A O no hydrogen 2.864 N/A SER 116.A OG.A GLU 263.A OE1 no hydrogen 2.989 N/A MET 117.A N VAL 264.A O no hydrogen 2.837 N/A ASP 118.A N ALA 102.A O no hydrogen 3.177 N/A GLN 119.A N VAL 262.A O no hydrogen 2.787 N/A GLN 119.A NE2 GLY 212.A O no hydrogen 2.956 N/A THR 123.A N HIS 150.A O no hydrogen 3.009 N/A THR 125.A N ILE 148.A O no hydrogen 3.042 N/A LEU 127.A N ILE 146.A O no hydrogen 3.100 N/A ARG 129.A NE GLU 132.A OE1 no hydrogen 2.975 N/A ARG 129.A NH2 GLU 132.A OE1 no hydrogen 3.195 N/A ARG 129.A NH2 GLU 132.A OE2 no hydrogen 3.090 N/A ARG 129.A NH2 ASN 178.A O.A no hydrogen 2.931 N/A ARG 129.A NH2 ASN 178.A O.B no hydrogen 2.918 N/A LEU 133.A N ARG 129.A O no hydrogen 2.979 N/A LEU 134.A N ASP 130.A O no hydrogen 2.842 N/A LYS 135.A N ALA 131.A O no hydrogen 2.931 N/A ALA 136.A N GLU 132.A O no hydrogen 3.032 N/A LEU 137.A N LEU 133.A O no hydrogen 2.890 N/A GLY 138.A N LEU 134.A O no hydrogen 2.918 N/A GLY 138.A N LYS 135.A O no hydrogen 3.041 N/A ILE 139.A N LEU 134.A O no hydrogen 3.113 N/A SER 142.A OG PHE 144.A O no hydrogen 2.710 N/A THR 143.A N GLY 159.A O no hydrogen 2.995 N/A PHE 144.A N THR 143.A OG1 no hydrogen 2.808 N/A ILE 148.A N THR 125.A O no hydrogen 2.804 N/A TYR 149.A N HIS 155.A O no hydrogen 2.712 N/A TYR 149.A OH HIS 221.A ND1 no hydrogen 2.762 N/A HIS 150.A N THR 123.A O no hydrogen 2.773 N/A ASN 151.A N PRO 153.A O no hydrogen 3.054 N/A ASN 151.A ND2 SER 213.A O no hydrogen 2.848 N/A ARG 154.A N TYR 203.A OH no hydrogen 2.986 N/A ARG 154.A NE ASP 181.A O.A no hydrogen 2.941 N/A ARG 154.A NE ASP 181.A O.B no hydrogen 2.993 N/A ARG 154.A NH2 HIS 180.A O no hydrogen 3.046 N/A ARG 154.A NH2 ASP 181.A O.A no hydrogen 3.309 N/A ARG 154.A NH2 ASP 181.A O.B no hydrogen 3.373 N/A HIS 155.A N TYR 149.A O no hydrogen 2.801 N/A HIS 155.A NE2 SER 213.A OG no hydrogen 2.887 N/A VAL 156.A N ALA 183.A O no hydrogen 2.868 N/A PHE 157.A N GLU 147.A O no hydrogen 3.013 N/A VAL 158.A N ASN 185.A O no hydrogen 2.924 N/A GLY 159.A N SER 142.A OG no hydrogen 3.014 N/A LEU 160.A N PHE 187.A O no hydrogen 2.806 N/A ALA 165.A N SER 162.A OG no hydrogen 2.984 N/A LEU 166.A N SER 162.A O no hydrogen 3.118 N/A SER 167.A N ILE 163.A O no hydrogen 2.953 N/A SER 167.A OG ILE 163.A O no hydrogen 3.341 N/A SER 167.A OG GLU 241.A OE2 no hydrogen 3.000 N/A ALA 168.A N ASP 164.A O no hydrogen 2.948 N/A LEU 169.A N LEU 166.A O no hydrogen 3.243 N/A ASP 172.A N ALA 136.A O no hydrogen 2.835 N/A ALA 175.A N ASP 172.A OD1 no hydrogen 3.226 N/A LEU 176.A N ASP 172.A O no hydrogen 3.004 N/A SER 177.A N HIS 173.A O no hydrogen 3.120 N/A SER 177.A N ARG 174.A O no hydrogen 3.096 N/A SER 177.A OG ARG 174.A O no hydrogen 2.515 N/A ASN 178.A N.A ALA 175.A O no hydrogen 3.217 N/A ASN 178.A N.B ALA 175.A O no hydrogen 3.217 N/A ASN 178.A ND2.A GLU 132.A OE2 no hydrogen 2.840 N/A ASN 178.A ND2.B ALA 175.A O no hydrogen 3.337 N/A PHE 179.A N LEU 176.A O no hydrogen 2.951 N/A ALA 183.A N ARG 154.A O no hydrogen 2.879 N/A ILE 184.A N PHE 199.A O no hydrogen 2.883 N/A ASN 185.A N VAL 156.A O no hydrogen 2.795 N/A ASN 185.A ND2 HIS 155.A ND1 no hydrogen 3.121 N/A ASN 185.A ND2 VAL 156.A O no hydrogen 3.416 N/A ASN 185.A ND2 ALA 183.A O no hydrogen 3.510 N/A CYS 186.A N ARG 197.A O no hydrogen 2.825 N/A PHE 187.A N VAL 158.A O no hydrogen 2.983 N/A ALA 188.A N ARG 195.A O no hydrogen 2.972 N/A ALA 190.A N ARG 193.A O.A no hydrogen 3.040 N/A ALA 190.A N ARG 193.A O.B no hydrogen 3.099 N/A ARG 192.A NE GLU 235.A OE1 no hydrogen 3.373 N/A ARG 192.A NH2 GLU 235.A OE1 no hydrogen 3.337 N/A ARG 193.A N.A ALA 190.A O no hydrogen 3.098 N/A ARG 193.A N.B ALA 190.A O no hydrogen 3.123 N/A TRP 194.A N GLU 235.A O no hydrogen 2.900 N/A TRP 194.A NE1 GLY 191.A O no hydrogen 2.785 N/A ARG 195.A N ALA 188.A O no hydrogen 2.803 N/A ARG 195.A NH2 GLU 241.A OE2 no hydrogen 2.822 N/A SER 196.A N.A LEU 237.A O no hydrogen 2.956 N/A SER 196.A N.B LEU 237.A O no hydrogen 2.963 N/A SER 196.A OG.A CYS 186.A O no hydrogen 3.337 N/A ARG 197.A N CYS 186.A O no hydrogen 2.856 N/A ARG 197.A NE GLU 207.A OE2 no hydrogen 2.861 N/A ARG 197.A NH1 LEU 166.A O no hydrogen 2.868 N/A ARG 197.A NH1 LEU 169.A O no hydrogen 3.035 N/A ARG 197.A NH2 GLU 207.A OE1 no hydrogen 2.796 N/A ARG 197.A NH2 GLU 207.A OE2 no hydrogen 3.501 N/A PHE 199.A N ILE 184.A O no hydrogen 2.908 N/A SER 200.A N VAL 205.A O no hydrogen 2.923 N/A SER 200.A OG MET 182.A O no hydrogen 2.760 N/A TYR 203.A N SER 200.A O no hydrogen 3.110 N/A TYR 203.A N SER 200.A OG no hydrogen 2.966 N/A TYR 203.A OH ASP 181.A OD1.A no hydrogen 2.792 N/A GLY 204.A N PRO 201.A O no hydrogen 3.071 N/A VAL 205.A N SER 200.A O no hydrogen 2.869 N/A ASP 208.A N MET 198.A O no hydrogen 2.928 N/A ALA 209.A N ASP 208.A OD1 no hydrogen 2.963 N/A THR 211.A N GLN 238.A OE1 no hydrogen 2.917 N/A THR 211.A OG1 ASP 208.A OD2 no hydrogen 2.749 N/A SER 213.A OG HIS 155.A NE2 no hydrogen 2.887 N/A ALA 214.A N THR 211.A O no hydrogen 2.934 N/A ALA 215.A N GLY 212.A O no hydrogen 3.317 N/A LEU 218.A N ALA 214.A O no hydrogen 2.911 N/A ALA 219.A N ALA 215.A O no hydrogen 3.094 N/A ILE 220.A N GLY 216.A O no hydrogen 3.109 N/A HIS 221.A N PRO 217.A O no hydrogen 2.858 N/A HIS 221.A ND1 TYR 149.A OH no hydrogen 2.762 N/A LEU 222.A N LEU 218.A O no hydrogen 2.883 N/A ALA 223.A N ALA 219.A O no hydrogen 2.991 N/A ARG 224.A N ILE 220.A O no hydrogen 2.831 N/A ARG 224.A NH1 GLU 147.A OE1 no hydrogen 2.855 N/A ARG 224.A NH1 GLU 147.A OE2 no hydrogen 3.381 N/A ARG 224.A NH1 TYR 149.A OH no hydrogen 2.806 N/A ARG 224.A NH2 GLU 147.A OE2 no hydrogen 2.916 N/A HIS 225.A N HIS 221.A O no hydrogen 3.058 N/A HIS 225.A NE2 GLU 147.A OE1 no hydrogen 2.718 N/A GLY 226.A N ALA 223.A O no hydrogen 3.122 N/A GLN 227.A N LEU 222.A O no hydrogen 2.825 N/A GLN 227.A NE2 HIS 225.A O no hydrogen 2.853 N/A ILE 228.A N LEU 222.A O no hydrogen 3.404 N/A GLY 231.A N ALA 252.A O no hydrogen 2.784 N/A GLN 232.A N GLU 229.A O no hydrogen 3.130 N/A GLN 232.A NE2 GLY 231.A O no hydrogen 3.113 N/A VAL 234.A N ALA 250.A O no hydrogen 2.872 N/A GLU 235.A N ARG 192.A O no hydrogen 2.823 N/A ILE 236.A N MET 248.A O no hydrogen 2.760 N/A LEU 237.A N TRP 194.A O no hydrogen 2.860 N/A GLN 238.A N SER 246.A O no hydrogen 2.905 N/A GLN 238.A NE2 THR 211.A OG1 no hydrogen 2.837 N/A GLU 241.A N GLU 241.A OE1 no hydrogen 2.824 N/A ILE 242.A N GLY 239.A O no hydrogen 3.167 N/A GLY 243.A N VAL 240.A O no hydrogen 3.183 N/A ARG 244.A N GLY 239.A O no hydrogen 2.905 N/A ARG 244.A NE GLY 17.A O no hydrogen 2.863 N/A ARG 244.A NH2 ASP 8.A OD1 no hydrogen 3.481 N/A ARG 244.A NH2 GLU 16.A O no hydrogen 2.933 N/A ARG 244.A NH2 GLY 17.A O no hydrogen 3.141 N/A SER 246.A N GLN 238.A O no hydrogen 2.890 N/A SER 246.A OG ALA 209.A O no hydrogen 3.131 N/A SER 246.A OG ARG 244.A O no hydrogen 2.999 N/A LEU 247.A N.A PHE 10.A O no hydrogen 2.960 N/A LEU 247.A N.B PHE 10.A O no hydrogen 3.047 N/A MET 248.A N ILE 236.A O no hydrogen 2.840 N/A PHE 249.A N SER 265.A O no hydrogen 3.015 N/A ALA 250.A N VAL 234.A O no hydrogen 2.986 N/A LYS 251.A N GLU 263.A O no hydrogen 2.939 N/A LYS 251.A NZ GLU 253.A OE2 no hydrogen 3.254 N/A GLU 253.A N ARG 261.A O no hydrogen 2.880 N/A ARG 255.A N GLN 258.A O no hydrogen 3.229 N/A GLU 257.A N GLU 257.A OE1 no hydrogen 2.845 N/A GLN 258.A N ARG 255.A O no hydrogen 2.925 N/A THR 260.A N GLU 253.A O no hydrogen 2.876 N/A THR 260.A OG1 GLU 253.A O no hydrogen 3.334 N/A ARG 261.A NE GLU 253.A OE1 no hydrogen 3.092 N/A ARG 261.A NH1 ASP 118.A OD1 no hydrogen 2.825 N/A ARG 261.A NH2 GLU 253.A OE2 no hydrogen 3.150 N/A GLU 263.A N LYS 251.A O no hydrogen 2.889 N/A VAL 264.A N MET 117.A O no hydrogen 2.980 N/A SER 265.A N PHE 249.A O no hydrogen 2.871 N/A GLY 266.A N ALA 115.A O no hydrogen 3.057 N/A GLY 268.A N ILE 113.A O no hydrogen 3.077 N/A VAL 269.A N ASP 8.A O no hydrogen 3.135 N/A PHE 271.A N ILE 6.A O.A no hydrogen 2.833 N/A PHE 271.A N ILE 6.A O.B no hydrogen 3.003 N/A GLY 272.A N ILE 6.A O.A no hydrogen 3.385 N/A GLY 274.A N TYR 4.A O no hydrogen 2.945 N/A THR 275.A OG1.A ASN 3.A OD1 no hydrogen 2.835 N/A ILE 276.A N HIS 2.A O no hydrogen 2.861 N/A