Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xua_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A N ILE 276.A O no hydrogen 3.223 N/A HIS 2.A ND1 LEU 278.A OXT no hydrogen 2.597 N/A HIS 2.A NE2 ASP 28.A OD1 no hydrogen 2.768 N/A TYR 4.A N GLY 274.A O no hydrogen 2.888 N/A VAL 5.A N.A VAL 22.A O no hydrogen 3.084 N/A VAL 5.A N.B VAL 22.A O no hydrogen 3.071 N/A ILE 6.A N GLY 272.A O no hydrogen 2.937 N/A ILE 7.A N VAL 20.A O no hydrogen 3.046 N/A ASP 8.A N VAL 269.A O no hydrogen 2.773 N/A ALA 9.A N ASN 18.A O no hydrogen 3.015 N/A ALA 11.A N ASN 267.A O no hydrogen 3.136 N/A LEU 15.A N ASP 8.A OD2 no hydrogen 2.910 N/A GLU 16.A N VAL 13.A O.A no hydrogen 3.468 N/A GLU 16.A N VAL 13.A O.B no hydrogen 3.363 N/A GLY 17.A N PRO 245.A O no hydrogen 2.968 N/A ASN 18.A N ALA 9.A O no hydrogen 2.980 N/A ASN 18.A ND2 ASP 208.A OD1 no hydrogen 2.906 N/A ASN 18.A ND2 ALA 210.A O no hydrogen 3.058 N/A VAL 20.A N ILE 7.A O no hydrogen 2.918 N/A VAL 22.A N VAL 5.A O.A no hydrogen 2.938 N/A VAL 22.A N VAL 5.A O.B no hydrogen 2.930 N/A PHE 23.A N THR 47.A O no hydrogen 2.861 N/A PHE 24.A N ASN 3.A O no hydrogen 3.062 N/A ALA 26.A N VAL 49.A O no hydrogen 3.137 N/A LEU 29.A N ALA 26.A O no hydrogen 2.972 N/A MET 34.A N PRO 30.A O no hydrogen 3.088 N/A GLN 35.A N PRO 31.A O no hydrogen 3.051 N/A ARG 36.A N ALA 32.A O no hydrogen 3.169 N/A ARG 36.A NH1 GLN 33.A OE1 no hydrogen 3.239 N/A ILE 37.A N GLN 33.A O no hydrogen 2.920 N/A ALA 38.A N MET 34.A O no hydrogen 2.947 N/A ARG 39.A N.A GLN 35.A O no hydrogen 3.074 N/A ARG 39.A N.B GLN 35.A O no hydrogen 3.126 N/A ARG 39.A NH1.B ARG 39.A O.B no hydrogen 3.239 N/A GLU 40.A N ARG 36.A O no hydrogen 2.962 N/A MET 41.A N ILE 37.A O no hydrogen 2.990 N/A ASN 42.A N ALA 38.A O no hydrogen 3.016 N/A SER 44.A OG ASP 208.A OD1 no hydrogen 2.594 N/A SER 46.A N PHE 63.A O no hydrogen 2.996 N/A THR 47.A N ALA 21.A O no hydrogen 2.917 N/A THR 47.A OG1 THR 79.A OG1 no hydrogen 2.821 N/A PHE 48.A N ARG 61.A O no hydrogen 2.949 N/A VAL 49.A N PHE 23.A O no hydrogen 2.861 N/A LEU 50.A N LEU 59.A O no hydrogen 2.833 N/A LYS 51.A N ASP 27.A OD1 no hydrogen 2.920 N/A ARG 53.A N GLU 95.A OE1 no hydrogen 2.801 N/A ASN 54.A N GLU 95.A OE2 no hydrogen 2.762 N/A GLY 56.A N GLU 95.A OE2 no hydrogen 2.881 N/A ASP 57.A N TYR 93.A O no hydrogen 2.852 N/A LEU 59.A N LEU 50.A O no hydrogen 2.898 N/A ILE 60.A N GLU 95.A O no hydrogen 2.997 N/A ARG 61.A N PHE 48.A O no hydrogen 3.175 N/A ARG 61.A NE GLU 68.A OE2 no hydrogen 2.856 N/A ARG 61.A NH2 GLU 68.A OE1 no hydrogen 2.921 N/A ARG 61.A NH2 GLU 68.A OE2 no hydrogen 3.368 N/A PHE 63.A N SER 46.A O no hydrogen 2.989 N/A THR 64.A N ASN 67.A O no hydrogen 2.738 N/A THR 64.A OG1 ASN 67.A O no hydrogen 3.234 N/A THR 64.A OG1 ASN 67.A OD1 no hydrogen 2.594 N/A VAL 66.A N THR 64.A OG1 no hydrogen 3.000 N/A ASN 67.A N THR 64.A OG1 no hydrogen 2.958 N/A ASN 67.A ND2 GLU 68.A O no hydrogen 3.161 N/A LEU 69.A N ILE 62.A O no hydrogen 2.878 N/A HIS 74.A NE2 PRO 19.A O no hydrogen 3.139 N/A LEU 77.A N GLY 73.A O no hydrogen 2.871 N/A GLY 78.A N HIS 74.A O no hydrogen 2.977 N/A THR 79.A N PRO 75.A O no hydrogen 2.922 N/A THR 79.A OG1 THR 47.A OG1 no hydrogen 2.821 N/A THR 79.A OG1 PRO 75.A O no hydrogen 2.717 N/A ALA 80.A N LEU 76.A O.A no hydrogen 2.818 N/A ALA 80.A N LEU 76.A O.B no hydrogen 2.933 N/A ILE 81.A N LEU 77.A O no hydrogen 3.048 N/A ALA 82.A N GLY 78.A O no hydrogen 2.883 N/A LEU 83.A N.A THR 79.A O no hydrogen 2.841 N/A LEU 83.A N.B THR 79.A O no hydrogen 2.843 N/A GLY 84.A N ALA 80.A O no hydrogen 2.853 N/A ALA 85.A N ALA 82.A O no hydrogen 3.302 N/A HIS 86.A N LEU 83.A O.A no hydrogen 2.839 N/A HIS 86.A N LEU 83.A O.B no hydrogen 3.032 N/A HIS 90.A ND1 GLU 104.A OE2 no hydrogen 2.556 N/A ARG 91.A NE GLU 104.A OE1 no hydrogen 2.956 N/A ARG 91.A NH1 TYR 93.A OH no hydrogen 2.950 N/A LEU 92.A N.A PHE 103.A O no hydrogen 3.050 N/A LEU 92.A N.B PHE 103.A O no hydrogen 3.096 N/A TYR 93.A N ASP 57.A OD2 no hydrogen 2.928 N/A LEU 94.A N ILE 101.A O no hydrogen 2.936 N/A GLU 95.A N ALA 58.A O no hydrogen 2.830 N/A THR 96.A N GLY 99.A O no hydrogen 3.010 N/A THR 96.A OG1 PRO 70.A O no hydrogen 3.507 N/A THR 96.A OG1 GLY 99.A O no hydrogen 2.814 N/A MET 98.A N PRO 70.A O no hydrogen 3.285 N/A MET 98.A N THR 96.A OG1 no hydrogen 3.146 N/A GLY 99.A N THR 96.A O no hydrogen 2.975 N/A ILE 101.A N LEU 94.A O no hydrogen 2.780 N/A PHE 103.A N LEU 92.A O.A no hydrogen 2.828 N/A PHE 103.A N LEU 92.A O.B no hydrogen 2.932 N/A GLU 104.A N SER 116.A O no hydrogen 2.942 N/A LEU 105.A N HIS 90.A O no hydrogen 2.870 N/A GLU 106.A N ALA 114.A O no hydrogen 2.880 N/A ARG 107.A NE ASN 89.A O no hydrogen 3.002 N/A ARG 107.A NH1 GLY 84.A O no hydrogen 3.101 N/A ARG 107.A NH1 GLY 110.A O no hydrogen 2.681 N/A ARG 107.A NH2 GLY 84.A O no hydrogen 2.698 N/A ARG 107.A NH2 ASN 89.A O no hydrogen 2.866 N/A GLN 108.A N SER 111.A O no hydrogen 2.936 N/A SER 111.A N GLN 108.A O no hydrogen 2.821 N/A ILE 113.A N GLU 106.A O no hydrogen 2.822 N/A ALA 115.A N GLY 266.A O no hydrogen 3.018 N/A SER 116.A N GLU 104.A O no hydrogen 2.905 N/A MET 117.A N VAL 264.A O no hydrogen 2.902 N/A ASP 118.A N ALA 102.A O no hydrogen 3.202 N/A GLN 119.A N VAL 262.A O no hydrogen 2.780 N/A GLN 119.A NE2 GLY 212.A O no hydrogen 3.018 N/A THR 123.A N HIS 150.A O no hydrogen 3.209 N/A THR 125.A N ILE 148.A O no hydrogen 3.073 N/A LEU 127.A N ILE 146.A O no hydrogen 3.124 N/A ARG 129.A NE GLU 132.A OE1 no hydrogen 2.961 N/A ARG 129.A NH2 GLU 132.A OE1 no hydrogen 3.191 N/A ARG 129.A NH2 GLU 132.A OE2 no hydrogen 3.141 N/A ARG 129.A NH2 ASN 178.A O.A no hydrogen 2.983 N/A ARG 129.A NH2 ASN 178.A O.B no hydrogen 2.971 N/A LEU 133.A N ARG 129.A O no hydrogen 3.018 N/A LEU 134.A N ASP 130.A O no hydrogen 2.912 N/A LYS 135.A N ALA 131.A O no hydrogen 3.081 N/A ALA 136.A N GLU 132.A O no hydrogen 3.067 N/A LEU 137.A N LEU 133.A O no hydrogen 2.959 N/A GLY 138.A N LEU 134.A O no hydrogen 2.891 N/A GLY 138.A N LYS 135.A O no hydrogen 3.194 N/A ILE 139.A N LEU 134.A O no hydrogen 2.940 N/A SER 140.A OG.B ASP 141.A OD2 no hydrogen 2.396 N/A SER 142.A OG PHE 144.A O no hydrogen 2.669 N/A THR 143.A N GLY 159.A O no hydrogen 3.035 N/A ILE 148.A N THR 125.A O no hydrogen 2.937 N/A TYR 149.A N HIS 155.A O no hydrogen 2.835 N/A TYR 149.A OH HIS 221.A ND1 no hydrogen 2.703 N/A HIS 150.A N THR 123.A O no hydrogen 2.860 N/A ASN 151.A N PRO 153.A O no hydrogen 3.114 N/A ASN 151.A ND2 SER 213.A O no hydrogen 2.881 N/A ARG 154.A N TYR 203.A OH no hydrogen 3.050 N/A ARG 154.A NE ASP 181.A O no hydrogen 2.925 N/A ARG 154.A NH2 HIS 180.A O no hydrogen 2.981 N/A ARG 154.A NH2 ASP 181.A O no hydrogen 3.458 N/A HIS 155.A N TYR 149.A O no hydrogen 2.941 N/A HIS 155.A NE2 SER 213.A OG no hydrogen 2.840 N/A VAL 156.A N ALA 183.A O no hydrogen 2.948 N/A PHE 157.A N GLU 147.A O no hydrogen 3.194 N/A VAL 158.A N ASN 185.A O no hydrogen 2.984 N/A GLY 159.A N SER 142.A OG no hydrogen 2.979 N/A LEU 160.A N PHE 187.A O no hydrogen 2.740 N/A ALA 165.A N SER 162.A OG no hydrogen 2.981 N/A LEU 166.A N SER 162.A O no hydrogen 3.033 N/A SER 167.A N ILE 163.A O no hydrogen 2.846 N/A SER 167.A OG ILE 163.A O no hydrogen 3.282 N/A SER 167.A OG GLU 241.A OE2 no hydrogen 2.714 N/A ALA 168.A N ASP 164.A O no hydrogen 2.996 N/A ALA 168.A N ALA 165.A O no hydrogen 3.228 N/A LEU 169.A N LEU 166.A O no hydrogen 3.299 N/A HIS 170.A ND1 ALA 168.A O no hydrogen 2.807 N/A ASP 172.A N ALA 136.A O no hydrogen 2.851 N/A ALA 175.A N ASP 172.A OD1 no hydrogen 3.066 N/A LEU 176.A N ASP 172.A O no hydrogen 2.854 N/A SER 177.A N.A HIS 173.A O no hydrogen 3.042 N/A SER 177.A N.A ARG 174.A O no hydrogen 3.212 N/A SER 177.A N.B HIS 173.A O no hydrogen 3.008 N/A SER 177.A N.B ARG 174.A O no hydrogen 3.228 N/A SER 177.A OG.A ARG 174.A O no hydrogen 2.732 N/A SER 177.A OG.B HIS 173.A O no hydrogen 2.702 N/A ASN 178.A N.A ALA 175.A O no hydrogen 3.232 N/A ASN 178.A N.B ALA 175.A O no hydrogen 3.410 N/A ASN 178.A ND2.A GLU 132.A OE2 no hydrogen 2.932 N/A PHE 179.A N LEU 176.A O no hydrogen 3.008 N/A ALA 183.A N ARG 154.A O no hydrogen 2.900 N/A ILE 184.A N.A PHE 199.A O no hydrogen 2.867 N/A ILE 184.A N.B PHE 199.A O no hydrogen 2.869 N/A ASN 185.A N VAL 156.A O no hydrogen 2.787 N/A ASN 185.A ND2 HIS 155.A ND1 no hydrogen 3.288 N/A ASN 185.A ND2 VAL 156.A O no hydrogen 3.555 N/A ASN 185.A ND2 ALA 183.A O no hydrogen 3.546 N/A CYS 186.A N ARG 197.A O no hydrogen 2.892 N/A PHE 187.A N VAL 158.A O no hydrogen 2.926 N/A ALA 188.A N ARG 195.A O no hydrogen 2.966 N/A ALA 190.A N ARG 193.A O no hydrogen 3.112 N/A ARG 193.A N ALA 190.A O no hydrogen 3.173 N/A TRP 194.A N GLU 235.A O no hydrogen 2.994 N/A TRP 194.A NE1 GLY 191.A O no hydrogen 2.846 N/A ARG 195.A N ALA 188.A O no hydrogen 2.715 N/A ARG 195.A NH2 GLU 241.A OE2 no hydrogen 2.878 N/A SER 196.A N.A LEU 237.A O no hydrogen 2.988 N/A SER 196.A N.B LEU 237.A O no hydrogen 2.996 N/A SER 196.A OG.A CYS 186.A O no hydrogen 3.319 N/A SER 196.A OG.B GLN 238.A OE1 no hydrogen 3.209 N/A ARG 197.A N CYS 186.A O no hydrogen 2.963 N/A ARG 197.A NE GLU 207.A OE2 no hydrogen 2.879 N/A ARG 197.A NH1 LEU 166.A O no hydrogen 2.969 N/A ARG 197.A NH1 LEU 169.A O no hydrogen 3.069 N/A ARG 197.A NH2 GLU 207.A OE1 no hydrogen 2.871 N/A PHE 199.A N ILE 184.A O.A no hydrogen 3.008 N/A PHE 199.A N ILE 184.A O.B no hydrogen 2.998 N/A SER 200.A N VAL 205.A O no hydrogen 3.064 N/A SER 200.A OG MET 182.A O no hydrogen 2.836 N/A TYR 203.A N SER 200.A O no hydrogen 3.014 N/A TYR 203.A N SER 200.A OG no hydrogen 3.152 N/A TYR 203.A OH ASP 181.A OD1 no hydrogen 2.804 N/A GLY 204.A N PRO 201.A O no hydrogen 3.098 N/A VAL 205.A N SER 200.A O no hydrogen 3.061 N/A ASP 208.A N MET 198.A O no hydrogen 2.943 N/A THR 211.A N GLN 238.A OE1 no hydrogen 3.029 N/A THR 211.A OG1 ASP 208.A OD2 no hydrogen 2.827 N/A SER 213.A OG HIS 155.A NE2 no hydrogen 2.840 N/A ALA 214.A N THR 211.A O no hydrogen 2.939 N/A ALA 215.A N GLY 212.A O no hydrogen 3.304 N/A LEU 218.A N ALA 214.A O no hydrogen 2.946 N/A ALA 219.A N ALA 215.A O no hydrogen 3.203 N/A ILE 220.A N GLY 216.A O no hydrogen 3.089 N/A HIS 221.A N PRO 217.A O no hydrogen 2.880 N/A HIS 221.A ND1 TYR 149.A OH no hydrogen 2.703 N/A LEU 222.A N LEU 218.A O no hydrogen 2.876 N/A ALA 223.A N ALA 219.A O no hydrogen 3.283 N/A ARG 224.A N ILE 220.A O no hydrogen 2.857 N/A ARG 224.A NH1 GLU 147.A OE1 no hydrogen 2.970 N/A ARG 224.A NH1 GLU 147.A OE2 no hydrogen 3.457 N/A ARG 224.A NH1 TYR 149.A OH no hydrogen 2.875 N/A ARG 224.A NH2 GLU 147.A OE2 no hydrogen 3.072 N/A HIS 225.A N HIS 221.A O no hydrogen 2.987 N/A HIS 225.A NE2 GLU 147.A OE1 no hydrogen 2.812 N/A GLY 226.A N ALA 223.A O no hydrogen 3.164 N/A GLN 227.A N LEU 222.A O no hydrogen 2.884 N/A GLN 227.A NE2 HIS 225.A O no hydrogen 2.925 N/A GLU 229.A N GLN 232.A OE1 no hydrogen 2.878 N/A GLY 231.A N ALA 252.A O no hydrogen 2.911 N/A GLN 232.A N GLU 229.A O no hydrogen 3.144 N/A VAL 234.A N ALA 250.A O no hydrogen 3.003 N/A GLU 235.A N ARG 192.A O.A no hydrogen 2.844 N/A GLU 235.A N ARG 192.A O.B no hydrogen 2.864 N/A ILE 236.A N MET 248.A O no hydrogen 2.791 N/A LEU 237.A N TRP 194.A O no hydrogen 2.804 N/A GLN 238.A N SER 246.A O no hydrogen 3.068 N/A GLN 238.A NE2 ASP 208.A O no hydrogen 2.926 N/A GLN 238.A NE2 THR 211.A OG1 no hydrogen 2.903 N/A GLU 241.A N GLU 241.A OE1 no hydrogen 2.685 N/A GLY 243.A N VAL 240.A O no hydrogen 3.059 N/A ARG 244.A N GLY 239.A O no hydrogen 2.882 N/A ARG 244.A NE GLY 17.A O no hydrogen 2.865 N/A ARG 244.A NH2 GLY 17.A O no hydrogen 3.180 N/A SER 246.A N GLN 238.A O no hydrogen 2.766 N/A SER 246.A OG ALA 209.A O no hydrogen 3.058 N/A SER 246.A OG ARG 244.A O no hydrogen 2.930 N/A LEU 247.A N PHE 10.A O no hydrogen 3.107 N/A MET 248.A N ILE 236.A O no hydrogen 2.872 N/A PHE 249.A N SER 265.A O no hydrogen 2.962 N/A ALA 250.A N VAL 234.A O no hydrogen 3.064 N/A LYS 251.A N GLU 263.A O no hydrogen 2.977 N/A LYS 251.A NZ GLU 253.A OE2 no hydrogen 3.347 N/A GLU 253.A N ARG 261.A O no hydrogen 2.871 N/A ARG 255.A N GLN 258.A O no hydrogen 3.018 N/A GLN 258.A N ARG 255.A O no hydrogen 2.902 N/A THR 260.A N GLU 253.A O no hydrogen 2.885 N/A ARG 261.A NE GLU 253.A OE1 no hydrogen 3.314 N/A ARG 261.A NH1 ASP 118.A OD1 no hydrogen 2.985 N/A ARG 261.A NH1 GLU 263.A OE2 no hydrogen 3.000 N/A ARG 261.A NH2 GLU 253.A OE2 no hydrogen 3.239 N/A ARG 261.A NH2 GLU 263.A OE2 no hydrogen 2.962 N/A GLU 263.A N LYS 251.A O no hydrogen 2.942 N/A VAL 264.A N MET 117.A O no hydrogen 2.984 N/A SER 265.A N PHE 249.A O no hydrogen 2.929 N/A GLY 266.A N ALA 115.A O no hydrogen 3.201 N/A GLY 268.A N ILE 113.A O no hydrogen 3.310 N/A VAL 269.A N ASP 8.A O no hydrogen 3.100 N/A PHE 271.A N ILE 6.A O no hydrogen 2.767 N/A GLY 272.A N ILE 6.A O no hydrogen 3.504 N/A GLY 274.A N TYR 4.A O no hydrogen 3.033 N/A THR 275.A OG1 ASN 3.A OD1 no hydrogen 2.701 N/A ILE 276.A N HIS 2.A O no hydrogen 2.874 N/A