Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3r1x_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A OG1 ASN 2.A O no hydrogen 2.815 N/A ALA 5.A N ALA 3.A O no hydrogen 2.927 N/A ARG 6.A NH1.A TRP 56.A O no hydrogen 2.560 N/A ARG 6.A NH1.A THR 61.A OG1 no hydrogen 3.196 N/A TYR 7.A N TYR 22.A O no hydrogen 2.893 N/A ILE 8.A N PRO 62.A O no hydrogen 2.903 N/A ALA 9.A N TRP 20.A O no hydrogen 2.846 N/A ILE 10.A N VAL 64.A O no hydrogen 2.979 N/A ASP 11.A N ARG 18.A O no hydrogen 2.937 N/A TRP 12.A N ALA 65.A O no hydrogen 2.971 N/A TRP 12.A NE1 ALA 35.A O no hydrogen 2.964 N/A GLY 13.A N ASN 16.A O no hydrogen 2.890 N/A LEU 17.A N SER 33.A O no hydrogen 2.907 N/A ARG 18.A N ASP 11.A O no hydrogen 3.019 N/A ARG 18.A NH2 ASP 11.A OD2 no hydrogen 2.731 N/A ALA 19.A N ARG 31.A O no hydrogen 2.830 N/A TRP 20.A N ALA 9.A O no hydrogen 2.904 N/A LEU 21.A N GLU 29.A O no hydrogen 2.822 N/A TYR 22.A N TYR 7.A O no hydrogen 2.912 N/A GLN 23.A N GLU 26.A O no hydrogen 2.868 N/A GLU 26.A N GLN 23.A O no hydrogen 3.036 N/A CYS 27.A SG GLU 29.A O no hydrogen 3.671 N/A LEU 28.A N LEU 21.A O no hydrogen 2.725 N/A GLU 29.A N LEU 21.A O no hydrogen 3.331 N/A ARG 31.A N ALA 19.A O no hydrogen 2.891 N/A ARG 31.A NE GLU 29.A OE2 no hydrogen 3.217 N/A ARG 31.A NH1 ILE 52.A O no hydrogen 2.861 N/A ARG 31.A NH1 GLN 54.A O no hydrogen 2.896 N/A ARG 31.A NH2 GLN 54.A O no hydrogen 3.186 N/A SER 33.A N LEU 17.A O no hydrogen 2.872 N/A ALA 35.A N SER 33.A OG no hydrogen 2.971 N/A VAL 37.A N GLY 13.A O no hydrogen 2.953 N/A THR 38.A N SER 14.A O no hydrogen 3.100 N/A THR 38.A OG1 SER 14.A O no hydrogen 2.922 N/A ARG 39.A N.A GLY 36.A O no hydrogen 3.088 N/A ARG 39.A N.B GLY 36.A O no hydrogen 3.110 N/A ARG 39.A NE.A THR 15.A O no hydrogen 3.342 N/A ARG 39.A NH2.A THR 15.A O no hydrogen 2.848 N/A ARG 39.A NH2.A GLU 34.A OE1 no hydrogen 2.822 N/A ARG 43.A N.A LEU 40.A O no hydrogen 3.141 N/A ARG 43.A N.B LEU 40.A O no hydrogen 3.150 N/A ARG 43.A NE.B LEU 40.A O no hydrogen 2.756 N/A ARG 43.A NH1.B LEU 40.A O no hydrogen 2.990 N/A ARG 43.A NH2.A GLU 51.A OE1 no hydrogen 2.524 N/A ALA 47.A N SER 44.A OG no hydrogen 3.181 N/A VAL 48.A N SER 44.A O no hydrogen 3.172 N/A LEU 49.A N PRO 45.A O no hydrogen 2.860 N/A ALA 50.A N ALA 46.A O no hydrogen 3.056 N/A GLU 51.A N ALA 47.A O no hydrogen 3.028 N/A ILE 52.A N VAL 48.A O no hydrogen 3.122 N/A THR 53.A N LEU 49.A O no hydrogen 2.973 N/A THR 53.A OG1 LEU 49.A O no hydrogen 2.783 N/A GLN 54.A N GLU 51.A O no hydrogen 3.323 N/A TRP 56.A N THR 53.A O no hydrogen 3.069 N/A TRP 56.A NE1 GLU 29.A OE1 no hydrogen 3.050 N/A ARG 57.A NE.B THR 61.A O no hydrogen 2.468 N/A ARG 57.A NH1.A ALA 50.A O no hydrogen 2.893 N/A ARG 57.A NH1.A THR 53.A OG1 no hydrogen 3.064 N/A ARG 57.A NH2.B THR 61.A O no hydrogen 3.091 N/A ARG 57.A NH2.B ASP 97.A O no hydrogen 2.717 N/A THR 61.A OG1 ASP 58.A OD1 no hydrogen 2.868 N/A THR 61.A OG1 ASP 58.A OD2 no hydrogen 2.788 N/A VAL 63.A N ASN 98.A O no hydrogen 3.020 N/A VAL 64.A N ILE 8.A O no hydrogen 2.927 N/A GLY 68.A N GLY 66.A O no hydrogen 3.021 N/A VAL 71.A N SER 69.A OG no hydrogen 3.148 N/A GLY 72.A N SER 69.A O no hydrogen 3.082 N/A TRP 73.A N VAL 67.A O no hydrogen 2.862 N/A LYS 74.A NZ ALA 94.A O no hydrogen 3.011 N/A ALA 76.A N GLY 68.A O no hydrogen 2.859 N/A LEU 79.A N GLY 104.A O no hydrogen 2.994 N/A LEU 81.A N CYS 106.A O no hydrogen 2.956 N/A ALA 83.A N ILE 150.A O no hydrogen 3.185 N/A ALA 84.A N ASP 87.A OD2 no hydrogen 3.101 N/A PHE 85.A N ARG 148.A O.A no hydrogen 3.001 N/A PHE 85.A N ARG 148.A O.B no hydrogen 3.009 N/A ASP 87.A N ALA 84.A O no hydrogen 2.892 N/A ILE 88.A N PHE 85.A O no hydrogen 3.263 N/A GLN 90.A N ASP 87.A O no hydrogen 3.105 N/A GLN 91.A N ILE 88.A O no hydrogen 3.198 N/A THR 93.A N ILE 101.A O no hydrogen 2.886 N/A VAL 95.A N ILE 99.A O no hydrogen 2.831 N/A ILE 99.A N GLY 96.A O no hydrogen 2.873 N/A TRP 100.A N VAL 63.A O no hydrogen 2.771 N/A TRP 100.A NE1 ASN 98.A OD1 no hydrogen 2.837 N/A ILE 101.A N THR 93.A O no hydrogen 2.827 N/A CYS 106.A N LEU 79.A O no hydrogen 3.014 N/A VAL 107.A N ASN 114.A O no hydrogen 2.934 N/A ARG 109.A N ASN 112.A O no hydrogen 2.895 N/A ARG 109.A NE ASP 111.A OD1 no hydrogen 2.671 N/A ARG 109.A NH1 ASP 152.A OD1 no hydrogen 2.908 N/A ARG 109.A NH2 ASP 152.A OD1 no hydrogen 3.429 N/A ARG 109.A NH2 ASP 152.A OD2 no hydrogen 2.786 N/A ASN 112.A N ARG 109.A O no hydrogen 3.108 N/A ASN 112.A ND2 PHE 153.A O no hydrogen 2.937 N/A ASN 114.A N VAL 107.A O no hydrogen 2.988 N/A ASN 114.A ND2 ASN 112.A OD1 no hydrogen 2.811 N/A ARG 116.A N GLU 118.A OE1 no hydrogen 3.369 N/A ARG 116.A NH1 ALA 76.A O no hydrogen 2.812 N/A ARG 116.A NH2 ALA 76.A O no hydrogen 3.081 N/A GLY 117.A N GLU 119.A OE1 no hydrogen 2.743 N/A GLU 118.A N GLU 118.A OE1 no hydrogen 2.831 N/A THR 120.A N GLY 117.A O no hydrogen 3.138 N/A THR 120.A OG1 GLU 119.A OE2 no hydrogen 2.805 N/A GLN 121.A NE2 GLY 273.A O no hydrogen 3.278 N/A LEU 122.A N GLU 118.A O no hydrogen 2.865 N/A LEU 123.A N GLU 119.A O no hydrogen 3.038 N/A GLY 124.A N THR 120.A O no hydrogen 3.258 N/A ALA 125.A N GLN 121.A O no hydrogen 2.815 N/A ARG 126.A N LEU 122.A O no hydrogen 2.828 N/A ARG 126.A NE ARG 147.A O.A no hydrogen 3.058 N/A ARG 126.A NE ARG 147.A O.B no hydrogen 2.997 N/A ARG 126.A NH1 ARG 126.A O no hydrogen 2.734 N/A ARG 126.A NH2 ARG 147.A O.A no hydrogen 2.948 N/A ARG 126.A NH2 ARG 147.A O.B no hydrogen 2.993 N/A ALA 127.A N GLY 124.A O no hydrogen 3.067 N/A LEU 128.A N GLY 124.A O no hydrogen 2.973 N/A ALA 129.A N ALA 125.A O no hydrogen 2.700 N/A SER 131.A N TYR 134.A OH no hydrogen 3.199 N/A SER 131.A OG VAL 133.A O no hydrogen 3.232 N/A SER 131.A OG ALA 244.A O no hydrogen 2.770 N/A VAL 133.A N SER 131.A OG no hydrogen 3.067 N/A TYR 134.A N VAL 143.A O no hydrogen 3.040 N/A TYR 134.A OH SER 131.A O no hydrogen 3.245 N/A VAL 135.A N SER 246.A O no hydrogen 2.923 N/A HIS 139.A NE2 GLU 160.A OE2 no hydrogen 2.863 N/A CYS 140.A N VAL 156.A O no hydrogen 2.696 N/A CYS 140.A SG.A GLU 231.A OE2 no hydrogen 3.002 N/A CYS 140.A SG.B GLY 137.A O no hydrogen 3.642 N/A CYS 140.A SG.B VAL 156.A O no hydrogen 3.664 N/A CYS 140.A SG.B GLU 231.A OE1 no hydrogen 3.728 N/A CYS 140.A SG.B TYR 257.A OH no hydrogen 3.231 N/A LYS 141.A NZ VAL 115.A O no hydrogen 2.658 N/A LYS 141.A NZ THR 155.A OG1 no hydrogen 2.942 N/A TRP 142.A N ARG 154.A O no hydrogen 2.930 N/A TRP 142.A NE1 GLU 231.A OE2 no hydrogen 2.806 N/A VAL 143.A N TYR 134.A O no hydrogen 2.878 N/A LEU 144.A N ASP 152.A O no hydrogen 2.845 N/A ALA 145.A N SER 132.A O no hydrogen 2.928 N/A ASP 146.A N GLN 149.A O no hydrogen 2.939 N/A ARG 148.A N.A ASP 146.A OD1 no hydrogen 2.962 N/A ARG 148.A N.B ASP 146.A OD1 no hydrogen 2.943 N/A GLN 149.A N ASP 146.A OD1 no hydrogen 2.841 N/A ILE 150.A N ALA 83.A O no hydrogen 2.827 N/A HIS 151.A N LEU 144.A O no hydrogen 2.788 N/A HIS 151.A NE2 ASP 146.A OD2 no hydrogen 2.884 N/A ASP 152.A N LEU 144.A O no hydrogen 3.376 N/A ARG 154.A N TRP 142.A O no hydrogen 2.930 N/A ARG 154.A NH1 ASP 111.A O no hydrogen 2.887 N/A ARG 154.A NH2 ASP 111.A O no hydrogen 3.321 N/A THR 155.A OG1 ASN 114.A OD1 no hydrogen 2.620 N/A VAL 156.A N CYS 140.A O no hydrogen 2.928 N/A THR 158.A OG1 GLU 231.A OE1 no hydrogen 2.534 N/A GLY 159.A N GLY 137.A O no hydrogen 3.329 N/A GLU 160.A N THR 138.A O no hydrogen 3.019 N/A LEU 161.A N LEU 157.A O no hydrogen 2.822 N/A HIS 162.A N THR 158.A O no hydrogen 3.014 N/A HIS 162.A NE2 SER 220.A O no hydrogen 2.957 N/A HIS 163.A N GLY 159.A O no hydrogen 3.137 N/A HIS 163.A ND1 GLN 167.A OE1 no hydrogen 2.490 N/A LEU 164.A N GLU 160.A O no hydrogen 2.838 N/A LEU 165.A N LEU 161.A O no hydrogen 2.869 N/A LEU 166.A N HIS 162.A O no hydrogen 2.861 N/A GLN 167.A N HIS 163.A O no hydrogen 2.944 N/A LEU 168.A N LEU 164.A O no hydrogen 2.967 N/A SER 169.A OG LEU 165.A O no hydrogen 2.713 N/A VAL 171.A N SER 169.A OG no hydrogen 2.946 N/A GLY 172.A N SER 169.A O no hydrogen 3.269 N/A ALA 173.A N LEU 170.A O no hydrogen 3.280 N/A LEU 175.A N GLY 172.A O no hydrogen 3.424 N/A GLN 178.A NE2 PRO 176.A O no hydrogen 2.959 N/A GLN 178.A NE2 ARG 216.A O no hydrogen 2.869 N/A GLU 179.A N GLU 217.A O no hydrogen 2.942 N/A SER 181.A N GLU 221.A OE1 no hydrogen 2.834 N/A ALA 184.A N SER 181.A OG no hydrogen 3.022 N/A PHE 185.A N SER 181.A O no hydrogen 3.142 N/A ALA 186.A N ALA 182.A O no hydrogen 3.042 N/A ALA 187.A N ALA 183.A O no hydrogen 3.027 N/A GLY 188.A N ALA 184.A O no hydrogen 2.903 N/A LEU 189.A N PHE 185.A O no hydrogen 2.887 N/A GLN 190.A N ALA 186.A O no hydrogen 3.161 N/A ARG 191.A N ALA 187.A O no hydrogen 3.095 N/A ARG 191.A NH1 GLN 201.A OE1 no hydrogen 3.449 N/A GLY 192.A N GLY 188.A O no hydrogen 2.804 N/A ILE 193.A N LEU 189.A O no hydrogen 2.919 N/A ASN 194.A N GLN 190.A O no hydrogen 3.189 N/A ASN 194.A ND2 GLN 190.A O no hydrogen 2.816 N/A ASN 195.A N GLY 192.A O no hydrogen 2.981 N/A ASN 195.A ND2 ARG 191.A O no hydrogen 2.795 N/A GLN 201.A N VAL 198.A O no hydrogen 2.955 N/A LEU 202.A N LEU 199.A O no hydrogen 3.321 N/A VAL 205.A N LEU 202.A O no hydrogen 3.214 N/A ALA 207.A N PHE 203.A O no hydrogen 3.123 N/A SER 208.A N GLU 204.A O no hydrogen 2.828 N/A SER 208.A OG GLU 204.A O no hydrogen 2.776 N/A HIS 209.A N VAL 205.A O no hydrogen 3.312 N/A HIS 209.A NE2 VAL 171.A O no hydrogen 3.250 N/A VAL 210.A N ARG 206.A O no hydrogen 2.871 N/A LEU 211.A N ALA 207.A O no hydrogen 2.829 N/A GLY 212.A N HIS 209.A O no hydrogen 3.358 N/A ALA 213.A N SER 208.A O no hydrogen 2.830 N/A LEU 214.A N SER 208.A O no hydrogen 3.157 N/A ARG 216.A NH1 GLY 174.A O no hydrogen 2.963 N/A GLN 218.A N PRO 215.A O no hydrogen 3.006 N/A SER 220.A N GLN 178.A OE1 no hydrogen 2.857 N/A SER 220.A OG HIS 162.A NE2 no hydrogen 3.166 N/A PHE 222.A N GLN 218.A O no hydrogen 3.058 N/A LEU 223.A N VAL 219.A O no hydrogen 2.795 N/A SER 224.A N SER 220.A O no hydrogen 2.920 N/A GLY 225.A N GLU 221.A O no hydrogen 3.091 N/A LEU 226.A N PHE 222.A O no hydrogen 2.959 N/A LEU 227.A N LEU 223.A O no hydrogen 2.983 N/A ILE 228.A N SER 224.A O no hydrogen 3.028 N/A GLY 229.A N GLY 225.A O no hydrogen 2.834 N/A ALA 230.A N LEU 226.A O no hydrogen 2.981 N/A GLU 231.A N LEU 227.A O no hydrogen 2.934 N/A VAL 232.A N ILE 228.A O no hydrogen 2.914 N/A ALA 233.A N GLY 229.A O no hydrogen 2.980 N/A THR 234.A N ALA 230.A O no hydrogen 2.876 N/A THR 234.A OG1 ALA 230.A O no hydrogen 2.638 N/A LEU 235.A N GLU 231.A O no hydrogen 3.125 N/A SER 236.A N VAL 232.A O no hydrogen 2.977 N/A THR 238.A N LEU 235.A O no hydrogen 3.015 N/A PHE 239.A N LEU 235.A O no hydrogen 2.879 N/A SER 246.A N VAL 133.A O no hydrogen 2.860 N/A SER 246.A OG ALA 129.A O no hydrogen 3.279 N/A LEU 247.A N SER 269.A O no hydrogen 2.772 N/A VAL 248.A N VAL 135.A O no hydrogen 2.882 N/A ALA 249.A N VAL 271.A O no hydrogen 3.355 N/A THR 254.A N GLY 250.A O no hydrogen 2.926 N/A THR 254.A OG1 ALA 249.A O no hydrogen 3.292 N/A THR 254.A OG1 GLY 250.A O no hydrogen 2.724 N/A SER 255.A N SER 251.A O no hydrogen 3.211 N/A SER 255.A OG SER 252.A O no hydrogen 3.034 N/A ARG 256.A N SER 252.A O no hydrogen 3.353 N/A ARG 256.A NH1 GLU 221.A OE2 no hydrogen 2.602 N/A TYR 257.A N LEU 253.A O no hydrogen 3.063 N/A TYR 257.A OH GLU 231.A OE1 no hydrogen 2.710 N/A GLN 258.A N THR 254.A O no hydrogen 2.802 N/A GLN 259.A N SER 255.A O no hydrogen 3.073 N/A ALA 260.A N ARG 256.A O no hydrogen 3.039 N/A PHE 261.A N TYR 257.A O no hydrogen 2.801 N/A ALA 262.A N GLN 258.A O no hydrogen 2.817 N/A ALA 263.A N GLN 259.A O no hydrogen 3.051 N/A ILE 264.A N PHE 261.A O no hydrogen 3.199 N/A GLY 265.A N ALA 262.A O no hydrogen 3.135 N/A ARG 266.A N PHE 261.A O no hydrogen 2.911 N/A ARG 266.A NH1 SER 236.A OG no hydrogen 3.161 N/A ARG 266.A NH1 PHE 239.A O no hydrogen 2.932 N/A ARG 266.A NH2 PHE 239.A O no hydrogen 3.450 N/A SER 269.A N ILE 245.A O no hydrogen 2.863 N/A VAL 271.A N LEU 247.A O no hydrogen 2.921 N/A GLY 273.A N ALA 249.A O no hydrogen 3.076 N/A ALA 276.A N ALA 272.A O no hydrogen 3.019 N/A PHE 277.A N GLY 273.A O no hydrogen 2.909 N/A GLN 278.A N ASP 274.A O no hydrogen 3.109 N/A THR 279.A N THR 275.A O no hydrogen 3.020 N/A THR 279.A OG1 THR 275.A O no hydrogen 3.226 N/A GLY 280.A N ALA 276.A O no hydrogen 3.019 N/A ILE 281.A N PHE 277.A O no hydrogen 2.922 N/A ARG 282.A N GLN 278.A O no hydrogen 2.887 N/A ARG 282.A NE GLY 24.A O no hydrogen 2.991 N/A SER 283.A N THR 279.A O no hydrogen 3.084 N/A SER 283.A OG GLY 280.A O no hydrogen 2.502 N/A ILE 284.A N GLY 280.A O no hydrogen 3.280 N/A ALA 285.A N ILE 281.A O no hydrogen 2.852 N/A TYR 286.A N ARG 282.A O no hydrogen 2.903 N/A ALA 287.A N SER 283.A O no hydrogen 3.363 N/A VAL 288.A N ILE 284.A O no hydrogen 3.129 N/A ALA 289.A N ALA 285.A O no hydrogen 2.968 N/A ASN 290.A N ALA 287.A O no hydrogen 3.327 N/A