Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8xxg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N ASP 165.A O no hydrogen 2.847 N/A HIS 4.A N ASP 165.A OD2 no hydrogen 3.039 N/A HIS 4.A ND1 ASP 165.A OD2 no hydrogen 2.807 N/A HIS 4.A NE2 TYR 169.A OH no hydrogen 2.622 N/A ARG 5.A N TYR 69.A OH no hydrogen 2.890 N/A ARG 5.A NH1 THR 67.A OG1 no hydrogen 2.767 N/A ARG 5.A NH1 VAL 68.A O no hydrogen 2.912 N/A LEU 7.A N HIS 45.A NE2 no hydrogen 3.034 N/A SER 9.A N THR 6.A O no hydrogen 3.235 N/A THR 10.A N THR 6.A O no hydrogen 3.033 N/A THR 10.A OG1 THR 6.A O no hydrogen 2.907 N/A LEU 13.A N THR 10.A O no hydrogen 2.940 N/A TRP 14.A N PRO 11.A O no hydrogen 3.377 N/A TRP 14.A NE1 THR 10.A OG1 no hydrogen 3.021 N/A ALA 15.A N CYS 66.A O no hydrogen 3.004 N/A ILE 17.A N LEU 64.A O no hydrogen 2.812 N/A CYS 19.A N GLU 62.A O no hydrogen 2.931 N/A CYS 19.A SG PRO 20.A O no hydrogen 3.960 N/A ARG 21.A N GLU 61.A O no hydrogen 3.160 N/A GLU 23.A N PRO 20.A O no hydrogen 2.870 N/A LEU 24.A N ARG 21.A O no hydrogen 3.299 N/A ARG 25.A N GLY 120.A O no hydrogen 2.868 N/A ARG 25.A NE ASP 27.A OD1 no hydrogen 2.874 N/A ARG 25.A NH1 GLN 119.A OE1.B no hydrogen 3.175 N/A ARG 25.A NH2 ASP 27.A OD2 no hydrogen 2.932 N/A LEU 26.A N GLN 59.A OE1 no hydrogen 2.896 N/A LEU 28.A N ARG 25.A O no hydrogen 3.006 N/A VAL 29.A N LEU 26.A O no hydrogen 3.177 N/A LEU 30.A N LEU 26.A O no hydrogen 2.933 N/A SER 32.A N VAL 29.A O no hydrogen 3.319 N/A SER 32.A OG LEU 28.A O no hydrogen 2.702 N/A SER 32.A OG SER 311.A OG no hydrogen 3.320 N/A GLN 34.A NE2 ARG 122.A O no hydrogen 2.937 N/A ARG 37.A N SER 35.A OG no hydrogen 3.246 N/A ARG 37.A NE.B GLU 130.A OE2 no hydrogen 3.349 N/A ARG 37.A NH1.A HIS 170.A O no hydrogen 3.046 N/A ARG 37.A NH1.B HIS 170.A O no hydrogen 3.245 N/A ARG 37.A NH2.A HIS 170.A O no hydrogen 2.454 N/A ARG 37.A NH2.B HIS 170.A O no hydrogen 2.756 N/A TRP 38.A NE1 TYR 90.A OH no hydrogen 2.985 N/A ARG 39.A N SER 47.A O no hydrogen 2.950 N/A ARG 39.A NH1 PHE 36.A O no hydrogen 3.063 N/A ARG 39.A NH1 TRP 38.A O no hydrogen 3.189 N/A ARG 39.A NH2 GLU 151.A OE1 no hydrogen 2.656 N/A ALA 44.A N GLU 40.A OE2 no hydrogen 2.806 N/A HIS 45.A N SER 42.A O no hydrogen 2.851 N/A HIS 45.A ND1 PRO 43.A O no hydrogen 2.861 N/A TRP 46.A N LEU 57.A O no hydrogen 2.817 N/A SER 47.A N ARG 39.A O no hydrogen 2.816 N/A SER 47.A OG THR 56.A OG1 no hydrogen 2.653 N/A GLY 48.A N TRP 55.A O no hydrogen 3.062 N/A LEU 50.A N GLN 53.A O no hydrogen 2.733 N/A GLN 53.A N LEU 50.A O no hydrogen 3.462 N/A TRP 55.A N GLY 48.A O no hydrogen 2.855 N/A THR 56.A N THR 67.A O no hydrogen 2.996 N/A THR 56.A OG1 SER 47.A OG no hydrogen 2.653 N/A THR 56.A OG1 TYR 69.A OH no hydrogen 2.635 N/A LEU 57.A N TRP 46.A O no hydrogen 2.758 N/A THR 58.A N HIS 65.A O no hydrogen 2.962 N/A THR 58.A OG1 ALA 44.A O no hydrogen 2.730 N/A GLN 59.A NE2 LEU 24.A O no hydrogen 2.622 N/A THR 60.A N GLN 63.A O no hydrogen 2.954 N/A THR 60.A OG1 HIS 65.A NE2 no hydrogen 2.856 N/A GLU 61.A N GLU 61.A OE2 no hydrogen 2.532 N/A LEU 64.A N ILE 17.A O no hydrogen 2.898 N/A HIS 65.A N THR 58.A O no hydrogen 2.685 N/A HIS 65.A NE2 THR 60.A OG1 no hydrogen 2.856 N/A CYS 66.A N ALA 15.A O no hydrogen 2.816 N/A CYS 66.A SG LEU 64.A O no hydrogen 3.903 N/A THR 67.A N THR 56.A O no hydrogen 3.025 N/A THR 67.A OG1 LEU 13.A O no hydrogen 2.636 N/A TYR 69.A N VAL 54.A O no hydrogen 2.936 N/A TYR 69.A OH THR 56.A OG1 no hydrogen 2.635 N/A ARG 70.A NE GLU 83.A OE2 no hydrogen 2.874 N/A ARG 70.A NH1 SER 77.A O no hydrogen 3.430 N/A ARG 70.A NH1 SER 77.A OG no hydrogen 2.903 N/A ARG 70.A NH2 SER 77.A O no hydrogen 3.543 N/A ARG 70.A NH2 SER 77.A OG no hydrogen 3.313 N/A ARG 70.A NH2 ARG 78.A O no hydrogen 3.020 N/A ARG 70.A NH2 GLU 83.A OE1 no hydrogen 2.979 N/A SER 74.A OG ASP 72.A OD1 no hydrogen 2.399 N/A SER 77.A OG ARG 78.A O no hydrogen 3.560 N/A THR 80.A N GLU 83.A OE1 no hydrogen 2.840 N/A GLU 83.A N THR 80.A OG1 no hydrogen 3.131 N/A LEU 84.A N THR 80.A O no hydrogen 2.891 N/A GLU 85.A N PRO 81.A O no hydrogen 3.060 N/A GLU 85.A N ASP 82.A O no hydrogen 3.249 N/A ALA 86.A N GLU 83.A O no hydrogen 3.118 N/A ARG 88.A N LEU 84.A O no hydrogen 2.918 N/A ARG 88.A NH1 ASP 94.A OD2 no hydrogen 2.821 N/A ARG 88.A NH2 ASP 94.A OD2 no hydrogen 3.428 N/A LYS 89.A N GLU 85.A O no hydrogen 2.877 N/A TYR 90.A N ALA 86.A O no hydrogen 2.985 N/A PHE 91.A N VAL 87.A O no hydrogen 3.102 N/A GLN 92.A N LYS 89.A O no hydrogen 3.053 N/A LEU 93.A N ARG 88.A O no hydrogen 3.204 N/A VAL 95.A N GLN 92.A O no hydrogen 3.002 N/A LEU 97.A N GLU 23.A OE1 no hydrogen 2.747 N/A ALA 98.A N GLU 23.A OE2 no hydrogen 3.032 N/A TYR 101.A N LEU 97.A O no hydrogen 2.839 N/A TYR 101.A OH PHE 118.A O no hydrogen 2.649 N/A HIS 102.A N ALA 98.A O no hydrogen 2.979 N/A HIS 103.A N GLN 99.A O no hydrogen 3.061 N/A TRP 104.A N LEU 100.A O no hydrogen 2.822 N/A GLY 105.A N TYR 101.A O no hydrogen 2.928 N/A SER 106.A N HIS 102.A O no hydrogen 2.993 N/A SER 106.A OG.A HIS 103.A O no hydrogen 2.758 N/A VAL 107.A N HIS 103.A O no hydrogen 3.167 N/A ASP 108.A N GLY 105.A O no hydrogen 3.441 N/A PHE 111.A N ASP 108.A OD1 no hydrogen 3.039 N/A GLN 112.A N ASP 108.A O no hydrogen 3.082 N/A GLU 113.A N SER 109.A O no hydrogen 3.154 N/A VAL 114.A N HIS 110.A O no hydrogen 3.074 N/A ALA 115.A N PHE 111.A O no hydrogen 2.699 N/A GLN 116.A N GLN 112.A O no hydrogen 3.168 N/A LYS 117.A N VAL 114.A O no hydrogen 3.035 N/A PHE 118.A N VAL 114.A O no hydrogen 3.180 N/A PHE 118.A N ALA 115.A O no hydrogen 3.206 N/A GLN 119.A NE2.A ALA 115.A O no hydrogen 2.760 N/A VAL 121.A N TYR 101.A OH no hydrogen 3.073 N/A ARG 122.A NE GLU 23.A O no hydrogen 2.839 N/A ARG 122.A NH1 PHE 91.A O no hydrogen 2.884 N/A ARG 122.A NH1 VAL 95.A O no hydrogen 3.341 N/A ARG 122.A NH2 GLU 23.A O no hydrogen 3.225 N/A ARG 122.A NH2 VAL 95.A O no hydrogen 3.078 N/A LEU 124.A N GLN 34.A OE1 no hydrogen 2.871 N/A ARG 125.A N TYR 90.A O no hydrogen 2.789 N/A ARG 125.A NE ASP 251.A OD1 no hydrogen 2.631 N/A ARG 125.A NE ASP 251.A OD2 no hydrogen 3.154 N/A ARG 125.A NH2 ASP 251.A OD2 no hydrogen 2.685 N/A GLN 126.A N MET 248.A O no hydrogen 2.867 N/A GLN 126.A NE2 GLN 34.A O no hydrogen 2.959 N/A GLU 130.A N ASP 127.A OD2 no hydrogen 2.960 N/A CYS 131.A N ASP 127.A O no hydrogen 2.875 N/A LEU 132.A N PRO 128.A O no hydrogen 2.775 N/A PHE 133.A N ILE 129.A O no hydrogen 3.079 N/A SER 134.A N GLU 130.A O no hydrogen 2.964 N/A SER 134.A OG GLU 130.A O no hydrogen 2.797 N/A PHE 135.A N CYS 131.A O no hydrogen 3.002 N/A ILE 136.A N LEU 132.A O no hydrogen 2.969 N/A CYS 137.A N PHE 133.A O no hydrogen 3.105 N/A CYS 137.A SG PHE 133.A O no hydrogen 3.473 N/A SER 138.A N PHE 135.A O no hydrogen 3.077 N/A SER 138.A OG PHE 135.A O no hydrogen 2.841 N/A ASN 140.A ND2 TYR 194.A OH no hydrogen 3.017 N/A ASN 141.A ND2 CYS 137.A O no hydrogen 3.149 N/A ASN 142.A N ASN 141.A OD1 no hydrogen 2.866 N/A ARG 145.A N ASN 142.A OD1 no hydrogen 3.004 N/A ARG 145.A NH1 ASN 141.A OD1 no hydrogen 3.378 N/A ARG 145.A NH2 GLY 191.A O no hydrogen 2.953 N/A ILE 146.A N ASN 142.A O no hydrogen 2.859 N/A THR 147.A N ILE 143.A O no hydrogen 2.874 N/A THR 147.A OG1 ILE 143.A O no hydrogen 2.720 N/A GLY 148.A N ALA 144.A O no hydrogen 3.335 N/A MET 149.A N ARG 145.A O no hydrogen 2.929 N/A VAL 150.A N ILE 146.A O no hydrogen 2.880 N/A GLU 151.A N THR 147.A O no hydrogen 3.001 N/A ARG 152.A N GLY 148.A O no hydrogen 2.888 N/A ARG 152.A NE LEU 190.A O no hydrogen 2.811 N/A ARG 152.A NH2 LEU 190.A O no hydrogen 3.111 N/A LEU 153.A N MET 149.A O no hydrogen 2.902 N/A CYS 154.A N VAL 150.A O no hydrogen 3.004 N/A CYS 154.A SG VAL 150.A O no hydrogen 3.327 N/A GLN 155.A N GLU 151.A O no hydrogen 2.856 N/A ALA 156.A N ARG 152.A O no hydrogen 2.981 N/A PHE 157.A N LEU 153.A O no hydrogen 3.019 N/A GLY 158.A N CYS 154.A O no hydrogen 2.841 N/A LEU 161.A N TYR 169.A O no hydrogen 2.731 N/A LEU 164.A N VAL 167.A O no hydrogen 2.874 N/A ASP 165.A N GLY 1.A O no hydrogen 3.271 N/A ASP 165.A N PRO 2.A O no hydrogen 2.845 N/A VAL 167.A N LEU 164.A O no hydrogen 2.812 N/A TYR 169.A N ILE 162.A O no hydrogen 2.775 N/A TYR 169.A OH HIS 4.A NE2 no hydrogen 2.622 N/A HIS 170.A ND1 GLY 158.A O no hydrogen 2.940 N/A GLY 171.A N PRO 159.A O no hydrogen 2.880 N/A ALA 177.A N SER 174.A OG no hydrogen 3.072 N/A LEU 178.A N LEU 175.A O no hydrogen 3.018 N/A ALA 179.A N GLN 176.A O no hydrogen 3.300 N/A GLU 182.A N GLU 182.A OE1 no hydrogen 2.555 N/A VAL 183.A N GLY 180.A O no hydrogen 3.104 N/A HIS 186.A N GLU 182.A O no hydrogen 3.376 N/A LEU 187.A N VAL 183.A O no hydrogen 2.792 N/A ARG 188.A N GLU 184.A O no hydrogen 2.904 N/A LYS 189.A N ALA 185.A O no hydrogen 3.072 N/A LEU 190.A N HIS 186.A O no hydrogen 3.097 N/A GLY 191.A N ARG 188.A O no hydrogen 3.046 N/A LEU 192.A N LEU 187.A O no hydrogen 3.166 N/A ARG 195.A N LEU 192.A O no hydrogen 3.340 N/A ARG 195.A NE SER 139.A O no hydrogen 2.763 N/A ARG 195.A NH1 LEU 192.A O no hydrogen 3.200 N/A ARG 195.A NH2 SER 139.A O no hydrogen 2.906 N/A ARG 195.A NH2 ASN 140.A O no hydrogen 3.042 N/A ALA 196.A N GLY 193.A O no hydrogen 2.955 N/A VAL 199.A N ARG 195.A O no hydrogen 2.948 N/A SER 200.A N ALA 196.A O no hydrogen 3.279 N/A SER 200.A OG LEU 178.A O no hydrogen 2.981 N/A SER 200.A OG GLY 180.A O no hydrogen 3.336 N/A ALA 201.A N ARG 197.A O no hydrogen 2.841 N/A SER 202.A N TYR 198.A O no hydrogen 2.943 N/A SER 202.A OG TYR 198.A O no hydrogen 3.034 N/A SER 202.A OG PRO 235.A O no hydrogen 2.784 N/A ALA 203.A N VAL 199.A O no hydrogen 2.979 N/A ARG 204.A N SER 200.A O no hydrogen 2.997 N/A ARG 204.A NH1 ALA 179.A O no hydrogen 3.276 N/A ALA 205.A N ALA 201.A O no hydrogen 2.889 N/A ILE 206.A N SER 202.A O no hydrogen 3.069 N/A LEU 207.A N ALA 203.A O no hydrogen 3.167 N/A GLU 208.A N ARG 204.A O no hydrogen 2.706 N/A GLU 209.A N ALA 205.A O no hydrogen 2.761 N/A GLN 210.A N ILE 206.A O no hydrogen 3.319 N/A GLY 212.A N ILE 206.A O no hydrogen 2.878 N/A TRP 215.A N GLY 212.A O no hydrogen 2.996 N/A LEU 216.A N LEU 213.A O no hydrogen 3.150 N/A GLN 217.A NE2 GLU 221.A OE2 no hydrogen 2.942 N/A GLN 218.A N ALA 214.A O no hydrogen 2.924 N/A LEU 219.A N TRP 215.A O no hydrogen 2.932 N/A ARG 220.A N LEU 216.A O no hydrogen 2.884 N/A ARG 220.A NE ALA 249.A O no hydrogen 2.804 N/A ARG 220.A NH2 ALA 249.A O no hydrogen 2.854 N/A GLU 221.A N GLN 217.A O no hydrogen 3.041 N/A SER 222.A N LEU 219.A O no hydrogen 3.108 N/A SER 222.A OG GLN 218.A O no hydrogen 2.693 N/A SER 223.A N GLU 226.A OE1 no hydrogen 2.961 N/A TYR 224.A OH ASP 243.A OD1 no hydrogen 2.509 N/A GLU 225.A N GLU 225.A OE1 no hydrogen 2.717 N/A GLU 226.A N SER 223.A OG no hydrogen 3.116 N/A ALA 227.A N SER 223.A O no hydrogen 2.857 N/A HIS 228.A N TYR 224.A O no hydrogen 2.847 N/A HIS 228.A NE2 THR 239.A O no hydrogen 2.885 N/A LYS 229.A N GLU 225.A O no hydrogen 3.166 N/A ALA 230.A N GLU 226.A O no hydrogen 3.003 N/A LEU 231.A N ALA 227.A O no hydrogen 3.044 N/A CYS 232.A N LYS 229.A O no hydrogen 3.200 N/A CYS 232.A SG HIS 228.A O no hydrogen 3.432 N/A ILE 233.A N ALA 230.A O no hydrogen 3.185 N/A LEU 234.A N LEU 231.A O no hydrogen 2.972 N/A VAL 237.A N LEU 234.A O no hydrogen 3.056 N/A THR 239.A OG1.B HIS 228.A NE2 no hydrogen 3.113 N/A ALA 242.A N GLY 238.A O no hydrogen 2.869 N/A ASP 243.A N THR 239.A O no hydrogen 2.991 N/A CYS 244.A N HIS 240.A O no hydrogen 2.886 N/A CYS 244.A SG HIS 240.A O no hydrogen 3.488 N/A ILE 245.A N VAL 241.A O no hydrogen 3.006 N/A CYS 246.A N ALA 242.A O no hydrogen 2.861 N/A CYS 246.A SG ALA 242.A O no hydrogen 3.334 N/A LEU 247.A N ASP 243.A O no hydrogen 2.893 N/A MET 248.A N CYS 244.A O no hydrogen 2.943 N/A ALA 249.A N ILE 245.A O no hydrogen 2.868 N/A LEU 250.A N ILE 245.A O no hydrogen 3.116 N/A LEU 250.A N CYS 246.A O no hydrogen 3.285 N/A LYS 252.A N CYS 246.A O no hydrogen 3.043 N/A LYS 252.A NZ LEU 219.A O no hydrogen 3.133 N/A LYS 252.A NZ SER 222.A O no hydrogen 2.827 N/A LYS 252.A NZ LEU 250.A O no hydrogen 2.830 N/A GLN 254.A N GLN 254.A OE1 no hydrogen 2.853 N/A ALA 255.A N LYS 252.A O no hydrogen 3.101 N/A HIS 261.A N ASP 259.A OD2 no hydrogen 2.850 N/A HIS 261.A ND1 ASP 313.A OD2 no hydrogen 2.669 N/A MET 262.A N ASP 259.A OD1 no hydrogen 2.908 N/A TRP 263.A N ASP 259.A O no hydrogen 3.033 N/A HIS 264.A N VAL 260.A O no hydrogen 2.949 N/A ILE 265.A N HIS 261.A O no hydrogen 2.765 N/A ALA 266.A N MET 262.A O no hydrogen 2.852 N/A GLN 267.A N TRP 263.A O no hydrogen 3.075 N/A ARG 268.A N HIS 264.A O no hydrogen 2.770 N/A ARG 268.A NE ASP 269.A OD1 no hydrogen 2.916 N/A ARG 268.A NE ASP 269.A OD2 no hydrogen 3.453 N/A ARG 268.A NH2 ASP 269.A OD2 no hydrogen 2.843 N/A ARG 268.A NH2 ASP 313.A OD1 no hydrogen 2.849 N/A ASP 269.A N ILE 265.A O no hydrogen 2.778 N/A TYR 270.A N ALA 266.A O no hydrogen 3.284 N/A TYR 270.A OH ASP 108.A OD2 no hydrogen 2.533 N/A TRP 272.A N ALA 266.A O no hydrogen 3.007 N/A THR 275.A N GLU 289.A OE2 no hydrogen 2.815 N/A THR 275.A OG1 GLU 289.A OE2 no hydrogen 3.072 N/A THR 276.A N GLU 289.A OE1 no hydrogen 2.937 N/A THR 276.A OG1 GLU 289.A OE1 no hydrogen 2.655 N/A SER 277.A OG ALA 279.A O no hydrogen 2.657 N/A LYS 280.A NZ PRO 274.A O no hydrogen 2.782 N/A LYS 280.A NZ SER 277.A O no hydrogen 2.821 N/A SER 283.A OG THR 286.A OG1 no hydrogen 3.277 N/A GLN 285.A NE2 THR 276.A OG1 no hydrogen 2.768 N/A THR 286.A N SER 283.A OG no hydrogen 3.100 N/A THR 286.A OG1 GLY 281.A O no hydrogen 2.765 N/A THR 286.A OG1 SER 283.A O no hydrogen 3.421 N/A THR 286.A OG1 SER 283.A OG no hydrogen 3.277 N/A ASN 287.A N SER 283.A O no hydrogen 2.776 N/A LYS 288.A N PRO 284.A O no hydrogen 3.119 N/A LYS 288.A NZ GLN 285.A OE1 no hydrogen 3.329 N/A GLU 289.A N GLN 285.A O no hydrogen 2.997 N/A LEU 290.A N THR 286.A O no hydrogen 2.982 N/A GLY 291.A N ASN 287.A O no hydrogen 3.221 N/A ASN 292.A N LYS 288.A O no hydrogen 3.108 N/A PHE 293.A N GLU 289.A O no hydrogen 2.788 N/A PHE 294.A N LEU 290.A O no hydrogen 2.990 N/A ARG 295.A N GLY 291.A O no hydrogen 3.055 N/A ARG 295.A NH1 GLN 254.A O no hydrogen 2.997 N/A ARG 295.A NH2 ASN 292.A OD1 no hydrogen 2.778 N/A SER 296.A N ASN 292.A O no hydrogen 2.901 N/A SER 296.A OG.A ASN 292.A O no hydrogen 3.142 N/A LEU 297.A N PHE 293.A O no hydrogen 2.960 N/A TRP 298.A N PHE 294.A O no hydrogen 2.864 N/A TRP 298.A NE1 ASP 108.A OD2 no hydrogen 2.877 N/A GLY 299.A N ARG 295.A O no hydrogen 2.896 N/A ALA 302.A N GLY 299.A O no hydrogen 3.045 N/A GLY 303.A N PRO 253.A O no hydrogen 2.804 N/A TRP 304.A N TYR 301.A O no hydrogen 2.949 N/A ALA 305.A N TYR 301.A O no hydrogen 3.245 N/A GLN 306.A N ALA 302.A O no hydrogen 2.895 N/A GLN 306.A NE2 GLY 303.A O no hydrogen 3.014 N/A ALA 307.A N GLY 303.A O no hydrogen 3.157 N/A ALA 307.A N TRP 304.A O no hydrogen 3.146 N/A VAL 308.A N TRP 304.A O no hydrogen 3.356 N/A LEU 309.A N ALA 305.A O no hydrogen 3.221 N/A PHE 310.A N GLN 306.A O no hydrogen 2.803 N/A SER 311.A N ALA 307.A O no hydrogen 2.982 N/A SER 311.A OG LEU 28.A O no hydrogen 2.848 N/A SER 311.A OG SER 32.A OG no hydrogen 3.320 N/A ALA 312.A N VAL 308.A O no hydrogen 3.068 N/A ASP 313.A N LEU 309.A O no hydrogen 2.949 N/A LEU 314.A N PHE 310.A O no hydrogen 3.117 N/A ARG 315.A N ALA 312.A O no hydrogen 3.059 N/A