Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2irx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 6.A OG1 GLN 98.A OE1 no hydrogen 2.955 N/A LYS 10.A N ASN 7.A O no hydrogen 3.046 N/A LYS 10.A NZ ASN 50.A OD1 no hydrogen 3.085 N/A LEU 12.A N THR 18.A O no hydrogen 2.747 N/A TYR 13.A N THR 18.A O no hydrogen 3.131 N/A TYR 13.A OH ARG 238.A O no hydrogen 2.675 N/A THR 16.A N TYR 13.A O no hydrogen 3.159 N/A THR 16.A OG1 TYR 13.A O no hydrogen 3.540 N/A THR 16.A OG1 THR 18.A OG1 no hydrogen 2.718 N/A THR 18.A OG1 THR 16.A OG1 no hydrogen 2.718 N/A THR 19.A N ASP 22.A OD2 no hydrogen 3.049 N/A THR 19.A OG1 SER 21.A OG no hydrogen 2.739 N/A LYS 20.A N LYS 10.A O no hydrogen 2.956 N/A LYS 20.A NZ THR 6.A O no hydrogen 2.863 N/A LYS 20.A NZ GLN 98.A O no hydrogen 2.889 N/A SER 21.A N ALA 8.A O no hydrogen 2.850 N/A SER 21.A OG ALA 8.A O no hydrogen 3.170 N/A SER 21.A OG THR 19.A OG1 no hydrogen 2.739 N/A ASP 22.A N THR 19.A OG1 no hydrogen 2.995 N/A ILE 23.A N THR 19.A O no hydrogen 3.045 N/A PHE 24.A N LYS 20.A O no hydrogen 2.916 N/A ASP 25.A N SER 21.A O no hydrogen 2.850 N/A TYR 26.A N ASP 22.A O no hydrogen 2.835 N/A TYR 26.A OH TYR 235.A O no hydrogen 2.560 N/A TYR 27.A N ILE 23.A O no hydrogen 3.002 N/A TYR 27.A OH LEU 102.A O no hydrogen 2.698 N/A ALA 28.A N PHE 24.A O no hydrogen 2.864 N/A GLY 29.A N ASP 25.A O no hydrogen 2.896 N/A VAL 30.A N TYR 26.A O no hydrogen 2.839 N/A ALA 31.A N ALA 28.A O no hydrogen 3.371 N/A MET 34.A N VAL 30.A O no hydrogen 2.754 N/A LEU 35.A N ALA 31.A O no hydrogen 2.976 N/A HIS 37.A N MET 34.A O no hydrogen 3.068 N/A HIS 37.A NE2 LEU 278.A O no hydrogen 2.972 N/A ILE 38.A N LEU 35.A O no hydrogen 3.179 N/A ALA 39.A N LEU 35.A O no hydrogen 2.792 N/A ARG 41.A N ILE 38.A O no hydrogen 3.133 N/A ARG 41.A NE HIS 37.A O no hydrogen 3.183 N/A ARG 41.A NH1 THR 126.A OG1 no hydrogen 2.811 N/A ARG 41.A NH1 ASP 282.A OD1 no hydrogen 2.874 N/A ARG 41.A NH2 PRO 107.A O no hydrogen 3.210 N/A ALA 43.A N PRO 85.A O no hydrogen 2.880 N/A THR 44.A N HIS 105.A O no hydrogen 2.879 N/A ARG 45.A N GLU 59.A O no hydrogen 2.996 N/A ARG 45.A NH1 ALA 43.A O no hydrogen 2.762 N/A ARG 45.A NH1 LYS 60.A O no hydrogen 2.859 N/A ARG 45.A NH2 GLU 59.A OE2 no hydrogen 2.671 N/A ARG 45.A NH2 LYS 60.A O no hydrogen 3.367 N/A ARG 45.A NH2 GLN 61.A O no hydrogen 3.006 N/A LYS 46.A N GLU 103.A O no hydrogen 2.912 N/A ARG 47.A N PHE 57.A O no hydrogen 2.961 N/A ARG 47.A NE GLN 99.A O no hydrogen 2.798 N/A ARG 47.A NH1 GLU 59.A OE1 no hydrogen 2.724 N/A ARG 47.A NH2 GLN 99.A O no hydrogen 3.333 N/A TRP 48.A N ALA 100.A O no hydrogen 3.033 N/A GLY 51.A N TRP 48.A O no hydrogen 2.945 N/A VAL 52.A N LEU 12.A O no hydrogen 2.825 N/A GLN 54.A N GLY 51.A O no hydrogen 3.024 N/A PHE 57.A N ARG 47.A O no hydrogen 3.145 N/A GLU 59.A N ARG 45.A O no hydrogen 2.695 N/A GLN 61.A NE2 LEU 62.A O no hydrogen 3.115 N/A LEU 62.A N THR 83.A O no hydrogen 2.825 N/A ALA 66.A N ALA 63.A O no hydrogen 3.090 N/A LEU 70.A N PRO 67.A O no hydrogen 3.273 N/A SER 71.A OG ASP 88.A OD2 no hydrogen 3.236 N/A ARG 72.A NE LEU 70.A O no hydrogen 3.141 N/A ARG 72.A NH2 PRO 67.A O no hydrogen 2.914 N/A ARG 72.A NH2 LEU 70.A O no hydrogen 3.041 N/A ALA 73.A N TYR 84.A O no hydrogen 3.079 N/A VAL 75.A N THR 82.A O no hydrogen 2.739 N/A HIS 77.A N GLY 80.A O no hydrogen 2.686 N/A ARG 78.A NH1 ARG 78.A O no hydrogen 3.299 N/A SER 79.A N HIS 77.A ND1 no hydrogen 3.213 N/A GLY 80.A N HIS 77.A O no hydrogen 3.198 N/A THR 82.A N VAL 75.A O no hydrogen 2.832 N/A THR 82.A OG1 HIS 77.A NE2 no hydrogen 3.048 N/A THR 83.A N GLN 61.A OE1 no hydrogen 3.059 N/A TYR 84.A N ALA 73.A O no hydrogen 2.890 N/A ILE 86.A N SER 71.A O no hydrogen 2.809 N/A GLY 92.A N SER 89.A OG no hydrogen 3.187 N/A LEU 93.A N SER 89.A O no hydrogen 3.161 N/A ALA 94.A N ALA 90.A O no hydrogen 2.925 N/A TRP 95.A N THR 91.A O no hydrogen 2.931 N/A ILE 96.A N GLY 92.A O no hydrogen 2.973 N/A ALA 97.A N LEU 93.A O no hydrogen 3.018 N/A GLN 98.A N ALA 94.A O no hydrogen 2.924 N/A GLN 98.A NE2 THR 6.A O no hydrogen 3.541 N/A GLN 99.A N TRP 95.A O no hydrogen 2.894 N/A ALA 100.A N ALA 97.A O no hydrogen 2.883 N/A ALA 101.A N ILE 96.A O no hydrogen 3.012 N/A GLU 103.A N LYS 46.A O no hydrogen 3.304 N/A VAL 104.A N SER 236.A OG no hydrogen 3.059 N/A HIS 105.A N THR 44.A O no hydrogen 2.809 N/A HIS 105.A NE2 GLU 103.A OE1 no hydrogen 2.778 N/A VAL 106.A N THR 231.A O no hydrogen 3.007 N/A TRP 109.A NE1 GLY 227.A O no hydrogen 2.887 N/A PHE 111.A N GLY 40.A O no hydrogen 2.788 N/A VAL 112.A N ASN 121.A O no hydrogen 2.812 N/A GLU 114.A N GLU 119.A O no hydrogen 2.909 N/A SER 117.A OG GLU 119.A OE1 no hydrogen 3.085 N/A GLY 118.A N GLU 114.A O no hydrogen 3.166 N/A ASN 121.A N VAL 112.A O no hydrogen 3.053 N/A GLY 123.A N ARG 110.A O no hydrogen 2.828 N/A ALA 125.A N VAL 181.A O no hydrogen 2.721 N/A THR 126.A N GLN 108.A O no hydrogen 2.922 N/A THR 126.A OG1 GLN 108.A O no hydrogen 3.567 N/A ARG 127.A NH1 HIS 37.A O no hydrogen 2.982 N/A ARG 127.A NH1 ASP 282.A OD1 no hydrogen 3.306 N/A ARG 127.A NH2 HIS 37.A O no hydrogen 3.246 N/A LEU 128.A N THR 175.A O no hydrogen 2.816 N/A VAL 129.A N ASN 225.A OD1 no hydrogen 2.926 N/A PHE 130.A N LEU 173.A O no hydrogen 2.975 N/A ASP 131.A N ASP 221.A O no hydrogen 3.034 N/A LEU 132.A N LEU 171.A O no hydrogen 2.910 N/A ASP 133.A N PHE 219.A O no hydrogen 2.941 N/A GLY 135.A N LYS 217.A O no hydrogen 2.816 N/A VAL 138.A N GLY 135.A O no hydrogen 3.083 N/A GLN 142.A NE2 LEU 204.A O no hydrogen 3.077 N/A GLN 142.A NE2 GLY 216.A O no hydrogen 2.984 N/A LEU 143.A N MET 139.A O no hydrogen 3.258 N/A ALA 144.A N MET 140.A O no hydrogen 2.835 N/A GLU 145.A N ALA 141.A O no hydrogen 2.993 N/A VAL 146.A N GLN 142.A O no hydrogen 2.953 N/A ALA 147.A N LEU 143.A O no hydrogen 2.906 N/A ARG 148.A N ALA 144.A O no hydrogen 2.914 N/A ARG 148.A NH1 LEU 254.A O no hydrogen 3.141 N/A ALA 149.A N GLU 145.A O no hydrogen 3.023 N/A VAL 150.A N VAL 146.A O no hydrogen 2.858 N/A ARG 151.A N ALA 147.A O no hydrogen 2.914 N/A ARG 151.A NE ASP 152.A OD1 no hydrogen 3.219 N/A ARG 151.A NH2 ASP 152.A OD1 no hydrogen 3.228 N/A ASP 152.A N ARG 148.A O no hydrogen 2.795 N/A LEU 153.A N ALA 149.A O no hydrogen 3.125 N/A LEU 154.A N VAL 150.A O no hydrogen 3.110 N/A ALA 155.A N ARG 151.A O no hydrogen 2.846 N/A ASP 156.A N ASP 152.A O no hydrogen 3.140 N/A ILE 157.A N LEU 154.A O no hydrogen 2.933 N/A GLY 158.A N ALA 155.A O no hydrogen 3.013 N/A LEU 159.A N LEU 154.A O no hydrogen 3.040 N/A PHE 162.A N TYR 174.A O no hydrogen 2.802 N/A VAL 164.A N HIS 172.A O no hydrogen 2.764 N/A THR 165.A N ALA 247.A O no hydrogen 3.014 N/A THR 165.A OG1 ALA 247.A O no hydrogen 3.492 N/A SER 166.A N GLY 170.A O no hydrogen 3.054 N/A SER 166.A OG GLY 170.A O no hydrogen 3.422 N/A GLY 167.A N GLN 261.A OE1 no hydrogen 2.764 N/A SER 168.A N SER 166.A OG no hydrogen 2.982 N/A LEU 171.A N LEU 132.A O no hydrogen 3.243 N/A HIS 172.A N VAL 164.A O no hydrogen 2.672 N/A LEU 173.A N PHE 130.A O no hydrogen 2.953 N/A TYR 174.A N PHE 162.A O no hydrogen 2.932 N/A THR 175.A N LEU 128.A O no hydrogen 3.049 N/A LEU 177.A N THR 126.A O no hydrogen 2.924 N/A GLY 185.A N SER 182.A OG no hydrogen 2.876 N/A ALA 186.A N SER 182.A O no hydrogen 2.808 N/A THR 187.A N SER 183.A O no hydrogen 2.861 N/A THR 187.A OG1 SER 183.A O no hydrogen 2.861 N/A VAL 188.A N ARG 184.A O no hydrogen 3.050 N/A LEU 189.A N GLY 185.A O no hydrogen 3.109 N/A ALA 190.A N ALA 186.A O no hydrogen 2.982 N/A LYS 191.A N THR 187.A O no hydrogen 2.896 N/A ARG 192.A N VAL 188.A O no hydrogen 2.955 N/A VAL 193.A N LEU 189.A O no hydrogen 2.950 N/A ALA 194.A N ALA 190.A O no hydrogen 2.948 N/A GLN 195.A N LYS 191.A O no hydrogen 2.831 N/A ARG 196.A N ARG 192.A O no hydrogen 2.899 N/A LEU 197.A N VAL 193.A O no hydrogen 3.013 N/A GLU 198.A N ALA 194.A O no hydrogen 2.951 N/A GLN 199.A N GLN 195.A O no hydrogen 2.999 N/A ALA 200.A N ARG 196.A O no hydrogen 3.044 N/A MET 201.A N LEU 197.A O no hydrogen 2.925 N/A LEU 204.A N MET 201.A O no hydrogen 2.950 N/A VAL 205.A N MET 201.A O no hydrogen 2.936 N/A THR 206.A N VAL 218.A O no hydrogen 2.919 N/A THR 206.A OG1 GLU 198.A OE2 no hydrogen 3.059 N/A THR 206.A OG1 THR 208.A O no hydrogen 3.564 N/A SER 207.A N GLU 198.A OE2 no hydrogen 3.082 N/A SER 207.A OG GLU 198.A OE1 no hydrogen 2.490 N/A THR 208.A N THR 206.A OG1 no hydrogen 3.211 N/A ARG 214.A N LYS 211.A O no hydrogen 3.084 N/A ARG 214.A NH2 MET 209.A O no hydrogen 2.787 N/A GLY 216.A N GLU 136.A O no hydrogen 2.916 N/A LYS 217.A N ARG 214.A O no hydrogen 2.907 N/A LYS 217.A NZ LEU 213.A O no hydrogen 3.036 N/A VAL 218.A N LEU 204.A O no hydrogen 2.815 N/A PHE 219.A N ASP 133.A O no hydrogen 2.856 N/A VAL 220.A N THR 206.A O no hydrogen 2.908 N/A ASP 221.A N ASP 131.A O no hydrogen 2.759 N/A TRP 222.A NE1 SER 207.A O no hydrogen 2.889 N/A SER 223.A N ASP 221.A OD1 no hydrogen 3.073 N/A SER 223.A OG ASP 221.A OD1 no hydrogen 2.699 N/A GLN 224.A NE2 ASP 131.A OD2 no hydrogen 2.648 N/A GLN 224.A NE2 ASP 221.A OD2 no hydrogen 3.267 N/A ASN 225.A N TRP 222.A O no hydrogen 3.499 N/A ASN 225.A ND2 VAL 129.A O no hydrogen 2.918 N/A ASN 225.A ND2 TRP 222.A O no hydrogen 2.825 N/A SER 226.A N SER 223.A O no hydrogen 2.989 N/A SER 226.A OG SER 228.A OG no hydrogen 3.143 N/A SER 228.A N SER 226.A OG no hydrogen 3.354 N/A SER 228.A OG SER 226.A OG no hydrogen 3.143 N/A LYS 229.A N SER 226.A O no hydrogen 3.028 N/A LYS 229.A NZ SER 223.A OG no hydrogen 2.768 N/A THR 231.A N VAL 106.A O no hydrogen 2.857 N/A THR 231.A OG1 GLN 224.A OE1 no hydrogen 2.659 N/A ALA 233.A N VAL 104.A O no hydrogen 2.728 N/A TYR 235.A N ALA 246.A O no hydrogen 2.791 N/A TYR 235.A OH ASP 276.A OD1 no hydrogen 2.618 N/A SER 236.A N ALA 233.A O no hydrogen 2.983 N/A SER 236.A OG LEU 102.A O no hydrogen 3.505 N/A SER 236.A OG LEU 237.A O no hydrogen 2.854 N/A LEU 237.A N TYR 27.A OH no hydrogen 2.988 N/A ARG 238.A N THR 244.A O no hydrogen 2.813 N/A ARG 238.A NE GLU 103.A OE2 no hydrogen 2.901 N/A ARG 238.A NH1 GLU 103.A OE1 no hydrogen 3.440 N/A ARG 238.A NH1 GLU 103.A OE2 no hydrogen 3.186 N/A ARG 238.A NH2 SER 166.A O no hydrogen 2.848 N/A GLY 239.A N GLU 103.A OE2 no hydrogen 2.862 N/A ARG 240.A NE SER 168.A OG no hydrogen 3.002 N/A ARG 240.A NH1 GLY 239.A O no hydrogen 3.227 N/A ARG 240.A NH2 SER 168.A OG no hydrogen 3.343 N/A THR 244.A N HIS 242.A O no hydrogen 2.788 N/A THR 244.A OG1 GLY 167.A O no hydrogen 2.556 N/A THR 244.A OG1 HIS 242.A O no hydrogen 3.479 N/A VAL 245.A N LEU 262.A O no hydrogen 3.039 N/A ALA 246.A N SER 236.A O no hydrogen 3.003 N/A ALA 247.A N THR 165.A O no hydrogen 2.897 N/A ARG 249.A N PRO 163.A O no hydrogen 2.835 N/A ARG 249.A NE GLU 253.A OE1 no hydrogen 3.132 N/A ARG 249.A NE GLU 253.A OE2 no hydrogen 3.424 N/A ARG 249.A NH1 GLU 253.A OE2 no hydrogen 2.950 N/A ARG 249.A NH2 THR 165.A OG1 no hydrogen 3.074 N/A ARG 249.A NH2 ARG 260.A O no hydrogen 2.907 N/A THR 250.A N GLU 253.A OE1 no hydrogen 3.146 N/A TRP 251.A NE1 THR 161.A O no hydrogen 2.780 N/A GLU 253.A N THR 250.A O no hydrogen 3.185 N/A GLU 253.A N THR 250.A OG1 no hydrogen 3.187 N/A ASP 255.A N ALA 252.A O no hydrogen 3.089 N/A ASP 256.A N GLU 253.A O no hydrogen 3.218 N/A ALA 258.A N ASP 256.A OD1 no hydrogen 2.825 N/A LEU 259.A N ASP 256.A O no hydrogen 2.945 N/A ARG 260.A NH1 GLN 261.A O no hydrogen 2.840 N/A ARG 260.A NH1 GLU 266.A OE1 no hydrogen 2.975 N/A ARG 260.A NH1 GLU 266.A OE2 no hydrogen 3.557 N/A ARG 260.A NH2 GLU 266.A OE2 no hydrogen 2.715 N/A GLN 261.A NE2 GLY 170.A O no hydrogen 3.359 N/A SER 263.A N GLU 266.A OE1 no hydrogen 2.927 N/A SER 263.A OG ASP 265.A OD1 no hydrogen 2.463 N/A SER 263.A OG GLU 266.A OE1 no hydrogen 3.301 N/A TYR 264.A N PRO 243.A O no hydrogen 2.971 N/A VAL 267.A N SER 263.A O no hydrogen 3.115 N/A LEU 268.A N TYR 264.A O no hydrogen 3.050 N/A THR 269.A N ASP 265.A O no hydrogen 3.105 N/A THR 269.A OG1 ASP 265.A O no hydrogen 3.225 N/A ARG 270.A N GLU 266.A O no hydrogen 2.942 N/A ARG 270.A NH1 GLU 253.A OE1 no hydrogen 3.555 N/A ARG 270.A NH1 GLU 253.A OE2 no hydrogen 2.839 N/A ARG 270.A NH2 PRO 248.A O no hydrogen 3.036 N/A ARG 270.A NH2 GLU 253.A OE1 no hydrogen 2.833 N/A ILE 271.A N VAL 267.A O no hydrogen 2.947 N/A ALA 272.A N LEU 268.A O no hydrogen 2.992 N/A ARG 273.A N THR 269.A O no hydrogen 3.183 N/A ASP 274.A N ARG 270.A O no hydrogen 2.804 N/A GLY 275.A N ILE 271.A O no hydrogen 2.901 N/A LEU 278.A N ASP 276.A OD1 no hydrogen 2.850 N/A GLU 279.A N ASP 276.A O no hydrogen 3.065 N/A LEU 281.A N LEU 278.A O no hydrogen 2.872 N/A