Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8rgq_H.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 5.A N PHE 1.A O no hydrogen 2.895 N/A LEU 6.A N PHE 2.A O no hydrogen 2.928 N/A THR 7.A N ILE 3.A O no hydrogen 2.909 N/A LEU 8.A N ASN 4.A O no hydrogen 2.946 N/A LEU 8.A N ILE 5.A O no hydrogen 3.237 N/A LEU 9.A N ILE 5.A O no hydrogen 2.937 N/A VAL 10.A N LEU 6.A O no hydrogen 2.983 N/A LEU 13.A N LEU 9.A O no hydrogen 3.134 N/A ILE 14.A N VAL 10.A O no hydrogen 3.019 N/A ALA 15.A N PRO 11.A O no hydrogen 2.859 N/A MET 16.A N ILE 12.A O no hydrogen 2.890 N/A ALA 17.A N LEU 13.A O no hydrogen 2.986 N/A PHE 18.A N ILE 14.A O no hydrogen 2.946 N/A LEU 19.A N ALA 15.A O no hydrogen 2.779 N/A THR 20.A N MET 16.A O no hydrogen 3.027 N/A THR 20.A OG1 ALA 17.A O no hydrogen 2.279 N/A LEU 21.A N ALA 17.A O no hydrogen 3.053 N/A VAL 22.A N PHE 18.A O no hydrogen 2.836 N/A GLU 23.A N LEU 19.A O no hydrogen 2.892 N/A ARG 24.A N THR 20.A O no hydrogen 3.042 N/A ARG 24.A NH1 ASP 50.A OD2 no hydrogen 3.330 N/A LYS 25.A N LEU 21.A O no hydrogen 2.944 N/A LYS 25.A NZ PRO 36.A O no hydrogen 3.410 N/A ILE 26.A N VAL 22.A O no hydrogen 2.820 N/A LEU 27.A N GLU 23.A O no hydrogen 2.915 N/A GLY 28.A N ARG 24.A O no hydrogen 2.939 N/A TYR 29.A N LYS 25.A O no hydrogen 2.895 N/A MET 30.A N ILE 26.A O no hydrogen 2.850 N/A GLN 31.A N GLY 28.A O no hydrogen 2.982 N/A ARG 33.A N GLY 28.A O no hydrogen 2.686 N/A ARG 33.A NE GLN 31.A OE1 no hydrogen 2.870 N/A ARG 33.A NH2 GLN 31.A OE1 no hydrogen 2.708 N/A GLN 46.A N GLY 43.A O no hydrogen 3.025 N/A ALA 49.A N LEU 45.A O no hydrogen 2.900 N/A ASP 50.A N GLN 46.A O no hydrogen 2.899 N/A ALA 51.A N PRO 47.A O no hydrogen 2.905 N/A MET 52.A N PHE 48.A O no hydrogen 2.900 N/A LYS 53.A N ALA 49.A O no hydrogen 2.898 N/A LEU 54.A N ASP 50.A O no hydrogen 2.918 N/A PHE 55.A N ALA 51.A O no hydrogen 2.926 N/A MET 56.A N MET 52.A O no hydrogen 2.869 N/A MET 56.A N LYS 53.A O no hydrogen 3.205 N/A LYS 57.A N LYS 53.A O no hydrogen 2.876 N/A ARG 61.A NE PRO 59.A O no hydrogen 3.482 N/A THR 65.A OG1 ALA 121.A O no hydrogen 3.075 N/A PHE 70.A N SER 66.A O no hydrogen 2.938 N/A ILE 71.A N MET 67.A O no hydrogen 2.872 N/A ILE 72.A N SER 68.A O no hydrogen 2.888 N/A ALA 73.A N LEU 69.A O no hydrogen 2.979 N/A LEU 76.A N ILE 72.A O no hydrogen 2.859 N/A SER 77.A N ALA 73.A O no hydrogen 2.981 N/A LEU 78.A N PRO 74.A O no hydrogen 2.969 N/A THR 79.A N THR 75.A O no hydrogen 2.994 N/A LEU 80.A N LEU 76.A O no hydrogen 2.917 N/A ALA 81.A N SER 77.A O no hydrogen 2.998 N/A LEU 82.A N LEU 78.A O no hydrogen 3.025 N/A SER 83.A N THR 79.A O no hydrogen 2.912 N/A SER 83.A OG THR 79.A O no hydrogen 2.516 N/A LEU 84.A N LEU 80.A O no hydrogen 2.818 N/A TRP 85.A N ALA 81.A O no hydrogen 2.994 N/A TRP 85.A NE1 THR 216.A O no hydrogen 3.118 N/A VAL 86.A N LEU 82.A O no hydrogen 3.032 N/A LEU 88.A N VAL 86.A O no hydrogen 2.929 N/A MET 90.A N HIS 92.A O no hydrogen 3.290 N/A PHE 103.A N LEU 99.A O no hydrogen 3.073 N/A ILE 104.A N GLY 100.A O no hydrogen 2.870 N/A LEU 105.A N ILE 101.A O no hydrogen 2.980 N/A ALA 106.A N LEU 102.A O no hydrogen 3.009 N/A THR 107.A N PHE 103.A O no hydrogen 2.943 N/A THR 107.A OG1 PHE 103.A O no hydrogen 2.358 N/A SER 108.A N ILE 104.A O no hydrogen 3.014 N/A SER 108.A OG ILE 104.A O no hydrogen 3.502 N/A SER 109.A N LEU 105.A O no hydrogen 3.030 N/A SER 109.A OG LEU 105.A O no hydrogen 3.384 N/A SER 109.A OG GLU 142.A OE2 no hydrogen 2.180 N/A LEU 110.A N ALA 106.A O no hydrogen 2.992 N/A SER 111.A N THR 107.A O no hydrogen 2.953 N/A SER 111.A OG SER 108.A O no hydrogen 2.347 N/A VAL 112.A N SER 108.A O no hydrogen 2.998 N/A TYR 113.A N SER 109.A O no hydrogen 3.070 N/A SER 114.A N LEU 110.A O no hydrogen 2.998 N/A SER 114.A OG SER 111.A O no hydrogen 2.323 N/A ILE 115.A N SER 111.A O no hydrogen 3.028 N/A LEU 116.A N VAL 112.A O no hydrogen 2.983 N/A TRP 117.A N TYR 113.A O no hydrogen 2.883 N/A SER 118.A N SER 114.A O no hydrogen 2.990 N/A SER 118.A OG ILE 115.A O no hydrogen 2.719 N/A GLY 119.A N ILE 115.A O no hydrogen 2.964 N/A TRP 120.A N LEU 116.A O no hydrogen 2.935 N/A ALA 121.A N TRP 117.A O no hydrogen 2.902 N/A SER 122.A N SER 118.A O no hydrogen 2.960 N/A SER 122.A OG SER 127.A OG no hydrogen 3.227 N/A SER 124.A N SER 122.A O no hydrogen 2.863 N/A SER 127.A OG SER 122.A O no hydrogen 2.850 N/A SER 127.A OG SER 122.A OG no hydrogen 3.227 N/A SER 127.A OG SER 124.A O no hydrogen 2.565 N/A LEU 128.A N SER 124.A O no hydrogen 2.889 N/A PHE 129.A N LYS 125.A O no hydrogen 2.889 N/A GLY 130.A N TYR 126.A O no hydrogen 2.933 N/A ALA 131.A N SER 127.A O no hydrogen 2.870 N/A LEU 132.A N LEU 128.A O no hydrogen 2.914 N/A ARG 133.A N PHE 129.A O no hydrogen 2.987 N/A ALA 134.A N GLY 130.A O no hydrogen 2.906 N/A VAL 135.A N ALA 131.A O no hydrogen 2.874 N/A ALA 136.A N LEU 132.A O no hydrogen 2.960 N/A GLN 137.A N ARG 133.A O no hydrogen 2.979 N/A GLN 137.A NE2 PHE 197.A O no hydrogen 2.380 N/A THR 138.A N ALA 134.A O no hydrogen 2.907 N/A THR 138.A OG1 ALA 134.A O no hydrogen 2.818 N/A ILE 139.A N VAL 135.A O no hydrogen 2.861 N/A SER 140.A N ALA 136.A O no hydrogen 2.983 N/A SER 140.A OG ALA 136.A O no hydrogen 3.080 N/A TYR 141.A N GLN 137.A O no hydrogen 3.032 N/A GLU 142.A N THR 138.A O no hydrogen 2.860 N/A VAL 143.A N ILE 139.A O no hydrogen 3.002 N/A THR 144.A N SER 140.A O no hydrogen 3.144 N/A THR 144.A OG1 THR 284.A OG1 no hydrogen 3.284 N/A MET 145.A N TYR 141.A O no hydrogen 2.927 N/A ALA 146.A N GLU 142.A O no hydrogen 2.925 N/A ILE 147.A N VAL 143.A O no hydrogen 3.105 N/A ILE 148.A N THR 144.A O no hydrogen 3.012 N/A LEU 149.A N MET 145.A O no hydrogen 2.849 N/A LEU 150.A N ALA 146.A O no hydrogen 2.922 N/A SER 151.A N ILE 147.A O no hydrogen 3.031 N/A SER 151.A OG ILE 147.A O no hydrogen 2.944 N/A VAL 152.A N ILE 148.A O no hydrogen 2.997 N/A LEU 153.A N LEU 149.A O no hydrogen 2.970 N/A LEU 154.A N LEU 150.A O no hydrogen 2.866 N/A MET 155.A N SER 151.A O no hydrogen 3.058 N/A ASN 156.A N VAL 152.A O no hydrogen 2.898 N/A ASN 156.A ND2 SER 158.A O no hydrogen 2.889 N/A GLY 157.A N LEU 153.A O no hydrogen 2.711 N/A SER 158.A OG THR 163.A OG1 no hydrogen 3.188 N/A SER 160.A N SER 158.A OG no hydrogen 3.389 N/A GLN 162.A NE2 ASN 96.A OD1 no hydrogen 3.157 N/A THR 163.A OG1 SER 158.A OG no hydrogen 3.188 N/A ILE 165.A N LEU 161.A O no hydrogen 2.930 N/A THR 166.A N GLN 162.A O no hydrogen 2.917 N/A THR 166.A OG1 GLN 162.A O no hydrogen 2.816 N/A THR 167.A N THR 163.A O no hydrogen 2.872 N/A THR 167.A OG1 ASN 156.A O no hydrogen 3.490 N/A THR 167.A OG1 ASN 156.A OD1 no hydrogen 2.604 N/A THR 167.A OG1 THR 163.A O no hydrogen 3.107 N/A GLN 168.A N LEU 164.A O no hydrogen 2.878 N/A TRP 172.A NE1 GLY 231.A O no hydrogen 2.529 N/A ALA 177.A N LEU 173.A O no hydrogen 2.949 N/A ALA 181.A N ALA 177.A O no hydrogen 2.816 N/A MET 182.A N TRP 178.A O no hydrogen 2.951 N/A MET 183.A N PRO 179.A O no hydrogen 2.971 N/A TRP 184.A N MET 180.A O no hydrogen 2.840 N/A TRP 184.A NE1 THR 225.A OG1 no hydrogen 2.634 N/A PHE 185.A N ALA 181.A O no hydrogen 2.892 N/A ILE 186.A N MET 182.A O no hydrogen 3.008 N/A SER 187.A N MET 183.A O no hydrogen 2.872 N/A SER 187.A OG MET 183.A O no hydrogen 2.545 N/A THR 188.A N TRP 184.A O no hydrogen 2.881 N/A THR 188.A OG1 TRP 184.A O no hydrogen 2.955 N/A THR 188.A OG1 PHE 185.A O no hydrogen 2.601 N/A LEU 189.A N PHE 185.A O no hydrogen 2.974 N/A ALA 190.A N ILE 186.A O no hydrogen 2.980 N/A GLU 191.A N SER 187.A O no hydrogen 2.888 N/A THR 192.A N THR 188.A O no hydrogen 2.950 N/A THR 192.A OG1 THR 188.A O no hydrogen 2.690 N/A THR 192.A OG1 LEU 189.A O no hydrogen 2.870 N/A ARG 194.A N LEU 189.A O no hydrogen 3.170 N/A ARG 194.A NH2 GLU 23.A OE2 no hydrogen 3.036 N/A PHE 197.A N ARG 194.A O no hydrogen 2.671 N/A LEU 199.A N ASP 198.A OD1 no hydrogen 2.468 N/A ALA 208.A N ALA 204.A O no hydrogen 2.893 N/A LEU 209.A N GLY 205.A O no hydrogen 2.919 N/A PHE 210.A N PRO 206.A O no hydrogen 2.922 N/A PHE 211.A N PHE 207.A O no hydrogen 2.913 N/A MET 212.A N ALA 208.A O no hydrogen 2.889 N/A ALA 213.A N LEU 209.A O no hydrogen 2.951 N/A GLU 214.A N PHE 210.A O no hydrogen 2.897 N/A TYR 215.A N PHE 211.A O no hydrogen 3.019 N/A TYR 215.A OH GLU 23.A OE1 no hydrogen 2.462 N/A THR 216.A N MET 212.A O no hydrogen 2.935 N/A THR 216.A OG1 MET 212.A O no hydrogen 2.471 N/A ASN 217.A N ALA 213.A O no hydrogen 2.896 N/A ILE 218.A N GLU 214.A O no hydrogen 2.934 N/A ILE 219.A N TYR 215.A O no hydrogen 3.039 N/A LEU 220.A N THR 216.A O no hydrogen 2.969 N/A MET 221.A N ASN 217.A O no hydrogen 2.874 N/A ASN 222.A N ILE 218.A O no hydrogen 3.064 N/A ALA 223.A N ILE 219.A O no hydrogen 2.903 N/A LEU 224.A N LEU 220.A O no hydrogen 2.813 N/A THR 225.A N MET 221.A O no hydrogen 2.949 N/A THR 225.A OG1 MET 221.A O no hydrogen 2.774 N/A THR 226.A N ASN 222.A O no hydrogen 2.955 N/A THR 226.A OG1 ASN 222.A O no hydrogen 3.099 N/A ILE 227.A N ALA 223.A O no hydrogen 2.892 N/A ILE 228.A N LEU 224.A O no hydrogen 2.931 N/A PHE 229.A N THR 225.A O no hydrogen 2.946 N/A LEU 230.A N THR 226.A O no hydrogen 3.097 N/A SER 243.A N PRO 239.A O no hydrogen 2.963 N/A SER 243.A OG MET 90.A O no hydrogen 2.673 N/A SER 243.A OG PRO 239.A O no hydrogen 3.385 N/A THR 244.A N GLU 240.A O no hydrogen 2.894 N/A THR 244.A OG1 GLU 240.A O no hydrogen 2.736 N/A ASN 245.A N LEU 241.A O no hydrogen 2.934 N/A PHE 246.A N TYR 242.A O no hydrogen 2.908 N/A MET 247.A N SER 243.A O no hydrogen 2.896 N/A MET 248.A N THR 244.A O no hydrogen 2.930 N/A GLU 249.A N ASN 245.A O no hydrogen 2.997 N/A ALA 250.A N PHE 246.A O no hydrogen 2.906 N/A LEU 251.A N MET 247.A O no hydrogen 2.950 N/A LEU 252.A N MET 248.A O no hydrogen 2.990 N/A LEU 253.A N GLU 249.A O no hydrogen 2.940 N/A SER 254.A N ALA 250.A O no hydrogen 2.920 N/A SER 254.A OG ASN 222.A OD1 no hydrogen 2.840 N/A SER 254.A OG ALA 250.A O no hydrogen 2.938 N/A SER 255.A N LEU 251.A O no hydrogen 2.926 N/A SER 255.A OG LEU 251.A O no hydrogen 2.877 N/A THR 256.A N LEU 252.A O no hydrogen 2.855 N/A THR 256.A OG1 LEU 252.A O no hydrogen 2.511 N/A PHE 257.A N LEU 253.A O no hydrogen 2.998 N/A LEU 258.A N SER 254.A O no hydrogen 3.052 N/A TRP 259.A N SER 255.A O no hydrogen 2.808 N/A ILE 260.A N THR 256.A O no hydrogen 2.874 N/A ARG 261.A N PHE 257.A O no hydrogen 2.972 N/A ARG 261.A NH1 GLU 23.A OE2 no hydrogen 2.324 N/A ALA 262.A N LEU 258.A O no hydrogen 2.953 N/A SER 263.A N TRP 259.A O no hydrogen 2.902 N/A SER 263.A OG TRP 259.A O no hydrogen 2.928 N/A TYR 264.A N ILE 260.A O no hydrogen 2.951 N/A ARG 266.A NE ASP 198.A OD1 no hydrogen 2.938 N/A PHE 267.A N PRO 196.A O no hydrogen 2.623 N/A ARG 268.A NE ASP 270.A OD1 no hydrogen 2.621 N/A ARG 268.A NE ASP 270.A OD2 no hydrogen 2.969 N/A LEU 272.A N ARG 268.A O no hydrogen 2.888 N/A MET 273.A N TYR 269.A O no hydrogen 3.215 N/A HIS 274.A N ASP 270.A O no hydrogen 2.858 N/A LEU 275.A N GLN 271.A O no hydrogen 2.808 N/A LEU 276.A N LEU 272.A O no hydrogen 2.999 N/A TRP 277.A N MET 273.A O no hydrogen 2.907 N/A TRP 277.A NE1 SER 140.A OG no hydrogen 3.042 N/A LYS 278.A N HIS 274.A O no hydrogen 2.898 N/A ASN 279.A N LEU 275.A O no hydrogen 2.892 N/A ASN 279.A N LEU 276.A O no hydrogen 3.245 N/A PHE 280.A N LEU 275.A O no hydrogen 3.308 N/A PHE 280.A N LEU 276.A O no hydrogen 2.921 N/A LEU 281.A N LEU 276.A O no hydrogen 3.118 N/A THR 284.A N PHE 280.A O no hydrogen 2.396 N/A THR 284.A OG1 THR 144.A OG1 no hydrogen 3.284 N/A THR 284.A OG1 PHE 280.A O no hydrogen 2.523 N/A LEU 285.A N LEU 281.A O no hydrogen 2.883 N/A ALA 286.A N PRO 282.A O no hydrogen 2.943 N/A LEU 287.A N LEU 283.A O no hydrogen 2.875 N/A CYS 288.A N THR 284.A O no hydrogen 2.824 N/A MET 289.A N LEU 285.A O no hydrogen 2.980 N/A TRP 290.A N ALA 286.A O no hydrogen 2.900 N/A HIS 291.A N LEU 287.A O no hydrogen 2.849 N/A ILE 292.A N CYS 288.A O no hydrogen 2.909 N/A SER 293.A N MET 289.A O no hydrogen 2.922 N/A LEU 294.A N TRP 290.A O no hydrogen 2.876 N/A PHE 297.A N SER 293.A O no hydrogen 3.090 N/A THR 298.A N LEU 294.A O no hydrogen 2.961 N/A THR 298.A OG1 LEU 294.A O no hydrogen 2.316 N/A