Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3b8i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NH1 GLU 6.A OE2 no hydrogen 2.940 N/A SER 3.A N GLU 6.A OE2 no hydrogen 2.826 N/A HIS 4.A NE2 GLY 76.A O no hydrogen 3.261 N/A HIS 5.A ND1 ASP 149.A OD1 no hydrogen 3.092 N/A HIS 5.A ND1 ASP 149.A OD2 no hydrogen 2.812 N/A GLU 6.A N SER 3.A OG no hydrogen 3.126 N/A LEU 7.A N SER 3.A O no hydrogen 2.822 N/A ARG 8.A N HIS 5.A O no hydrogen 2.988 N/A ARG 8.A NE ILE 109.A O no hydrogen 2.981 N/A ARG 8.A NH1 ASP 149.A OD2 no hydrogen 2.924 N/A ARG 8.A NH2 GLU 105.A O no hydrogen 2.851 N/A ARG 8.A NH2 ILE 109.A O no hydrogen 2.907 N/A ALA 9.A N HIS 5.A O no hydrogen 3.223 N/A MET 10.A N GLU 6.A O no hydrogen 3.228 N/A PHE 11.A N LEU 7.A O no hydrogen 3.026 N/A ARG 12.A N.B ARG 8.A O no hydrogen 2.892 N/A ARG 12.A NH1.B ASP 16.A OD1 no hydrogen 2.813 N/A ARG 12.A O.B PHE 11.A O no hydrogen 3.370 N/A ALA 13.A N ALA 9.A O no hydrogen 2.874 N/A LEU 14.A N MET 10.A O no hydrogen 3.113 N/A LEU 15.A N PHE 11.A O no hydrogen 3.173 N/A ASP 16.A N ARG 12.A O.B no hydrogen 2.938 N/A SER 17.A N LEU 14.A O no hydrogen 3.269 N/A SER 17.A OG LEU 14.A O no hydrogen 2.702 N/A SER 17.A OG TYR 21.A OH no hydrogen 2.776 N/A TYR 21.A N ARG 227.A O no hydrogen 2.917 N/A TYR 21.A OH SER 17.A OG no hydrogen 2.776 N/A HIS 22.A ND1 ASN 231.A OD1 no hydrogen 2.545 N/A HIS 22.A NE2 ASP 218.A OD1 no hydrogen 2.823 N/A THR 23.A N VAL 229.A O no hydrogen 3.038 N/A THR 23.A OG1 VAL 229.A O no hydrogen 3.547 N/A ALA 24.A N CYS 42.A O no hydrogen 3.130 N/A SER 25.A OG HIS 233.A ND1 no hydrogen 2.691 N/A VAL 26.A N ILE 44.A O no hydrogen 2.913 N/A PHE 27.A N SER 31.A OG no hydrogen 2.973 N/A ASP 28.A N SER 31.A OG no hydrogen 2.952 N/A SER 31.A N ASP 28.A OD1 no hydrogen 2.980 N/A SER 31.A OG ASP 28.A O no hydrogen 2.871 N/A SER 31.A OG ASP 28.A OD1 no hydrogen 2.731 N/A ALA 32.A N ASP 28.A O no hydrogen 3.093 N/A ARG 33.A N PRO 29.A O no hydrogen 3.084 N/A ILE 34.A N MET 30.A O no hydrogen 2.878 N/A ALA 35.A N SER 31.A O no hydrogen 2.884 N/A ALA 36.A N ALA 32.A O no hydrogen 3.068 N/A ASP 37.A N ARG 33.A O no hydrogen 3.023 N/A LEU 38.A N ILE 34.A O no hydrogen 2.866 N/A GLY 39.A N ALA 36.A O no hydrogen 2.918 N/A PHE 40.A N ALA 35.A O no hydrogen 2.930 N/A GLU 41.A N GLU 41.A OE1 no hydrogen 2.960 N/A GLY 43.A N PRO 82.A O no hydrogen 3.025 N/A ILE 44.A N ALA 24.A O no hydrogen 2.866 N/A LEU 45.A N ILE 84.A O no hydrogen 2.880 N/A GLY 47.A N ASP 86.A OD2 no hydrogen 2.932 N/A ALA 50.A N GLY 46.A O no hydrogen 2.968 N/A SER 51.A N GLY 47.A O no hydrogen 2.931 N/A SER 51.A OG ALA 57.A O no hydrogen 2.968 N/A SER 51.A OG PRO 58.A O no hydrogen 2.910 N/A LEU 52.A N SER 48.A O no hydrogen 3.108 N/A GLN 53.A N VAL 49.A O no hydrogen 2.933 N/A GLN 53.A NE2 ASP 28.A OD2 no hydrogen 3.231 N/A VAL 54.A N ALA 50.A O no hydrogen 2.798 N/A LEU 55.A N SER 51.A O no hydrogen 2.984 N/A ALA 56.A N LEU 52.A O no hydrogen 2.971 N/A ALA 57.A N SER 51.A O no hydrogen 3.291 N/A PHE 60.A N PRO 58.A O no hydrogen 2.864 N/A THR 64.A N GLU 67.A OE1 no hydrogen 2.836 N/A GLU 67.A N THR 64.A OG1 no hydrogen 3.050 N/A PHE 68.A N THR 64.A O no hydrogen 3.047 N/A VAL 69.A N LEU 65.A O no hydrogen 2.928 N/A GLU 70.A N SER 66.A O no hydrogen 2.918 N/A GLN 71.A N GLU 67.A O no hydrogen 3.221 N/A ALA 72.A N PHE 68.A O no hydrogen 3.060 N/A THR 73.A N VAL 69.A O no hydrogen 2.776 N/A THR 73.A OG1 VAL 69.A O no hydrogen 2.733 N/A ARG 74.A N GLU 70.A O no hydrogen 3.064 N/A ARG 74.A NE GLU 70.A OE2 no hydrogen 2.902 N/A ILE 75.A N GLN 71.A O no hydrogen 3.323 N/A GLY 76.A N ALA 72.A O no hydrogen 2.869 N/A ARG 77.A N THR 73.A O no hydrogen 3.191 N/A VAL 78.A N ILE 75.A O no hydrogen 3.098 N/A ALA 79.A N ILE 75.A O no hydrogen 2.977 N/A ILE 84.A N GLY 43.A O no hydrogen 2.931 N/A ALA 85.A N ALA 111.A O no hydrogen 2.786 N/A ASP 86.A N LEU 45.A O no hydrogen 2.936 N/A ALA 87.A N THR 113.A O no hydrogen 3.200 N/A ASP 88.A N ASP 86.A OD1 no hydrogen 3.299 N/A HIS 89.A N HIS 89.A ND1 no hydrogen 2.756 N/A GLY 90.A N ALA 87.A O no hydrogen 2.954 N/A ASN 93.A N ASN 96.A OD1 no hydrogen 3.092 N/A LEU 95.A N ASN 93.A OD1 no hydrogen 2.919 N/A ASN 96.A N ASN 93.A OD1 no hydrogen 3.423 N/A VAL 97.A N ASN 93.A O no hydrogen 2.990 N/A MET 98.A N ALA 94.A O no hydrogen 3.215 N/A THR 100.A N ASN 96.A O no hydrogen 2.822 N/A THR 100.A OG1 GLY 90.A O no hydrogen 2.811 N/A THR 100.A OG1 ASN 96.A O no hydrogen 3.270 N/A VAL 101.A N VAL 97.A O no hydrogen 2.910 N/A VAL 102.A N MET 98.A O no hydrogen 2.989 N/A GLU 103.A N ARG 99.A O no hydrogen 2.903 N/A LEU 104.A N THR 100.A O no hydrogen 3.182 N/A GLU 105.A N VAL 101.A O no hydrogen 2.920 N/A ARG 106.A N VAL 102.A O no hydrogen 3.209 N/A ARG 106.A NH1 GLU 103.A OE1 no hydrogen 2.892 N/A ARG 106.A NH2 GLU 103.A OE2 no hydrogen 2.990 N/A ALA 107.A N GLU 103.A O no hydrogen 2.955 N/A GLY 108.A N LEU 104.A O no hydrogen 3.195 N/A GLY 108.A N GLU 105.A O no hydrogen 3.026 N/A ILE 109.A N LEU 104.A O no hydrogen 3.256 N/A ALA 110.A N VAL 83.A O no hydrogen 2.905 N/A LEU 112.A N THR 153.A O no hydrogen 2.926 N/A THR 113.A N ALA 85.A O no hydrogen 2.848 N/A ILE 114.A N ILE 155.A O no hydrogen 2.781 N/A GLU 115.A N ASP 88.A O no hydrogen 2.836 N/A ASP 116.A N ARG 157.A O no hydrogen 3.260 N/A THR 117.A OG1 GLU 115.A OE2 no hydrogen 2.649 N/A LEU 118.A N ASP 129.A O no hydrogen 2.719 N/A GLY 124.A N.A MET 281.A O no hydrogen 2.770 N/A GLY 124.A N.B MET 281.A O no hydrogen 2.610 N/A ARG 125.A N.A PHE 123.A O no hydrogen 2.601 N/A ARG 125.A N.B GLN 122.A O no hydrogen 3.189 N/A SER 127.A N.A LYS 126.A O.B no hydrogen 2.948 N/A SER 127.A OG.B ARG 125.A O.A no hydrogen 2.833 N/A ASP 129.A N LYS 126.A O.A no hydrogen 3.413 N/A ILE 131.A N ASP 116.A O no hydrogen 2.894 N/A CYS 132.A SG GLU 134.A OE2 no hydrogen 3.581 N/A GLY 136.A N CYS 132.A O no hydrogen 3.085 N/A VAL 137.A N VAL 133.A O no hydrogen 2.794 N/A GLY 138.A N GLU 134.A O no hydrogen 3.080 N/A LYS 139.A N GLU 135.A O no hydrogen 2.938 N/A LYS 139.A NZ HIS 89.A O no hydrogen 2.911 N/A LYS 139.A NZ GLY 92.A O no hydrogen 2.729 N/A ILE 140.A N GLY 136.A O no hydrogen 3.007 N/A ARG 141.A N VAL 137.A O no hydrogen 2.896 N/A ALA 142.A N GLY 138.A O no hydrogen 2.886 N/A ALA 143.A N LYS 139.A O no hydrogen 2.888 N/A LEU 144.A N ILE 140.A O no hydrogen 3.093 N/A GLU 145.A N ARG 141.A O no hydrogen 3.122 N/A ALA 146.A N ALA 142.A O no hydrogen 3.044 N/A ARG 147.A N ALA 143.A O no hydrogen 3.036 N/A ARG 147.A NH1 LEU 152.A O no hydrogen 2.792 N/A ARG 147.A NH1 ASP 181.A OD2 no hydrogen 2.810 N/A VAL 148.A N GLU 105.A OE2 no hydrogen 2.775 N/A ASP 149.A N GLU 105.A OE1 no hydrogen 2.655 N/A ALA 151.A N ASP 149.A OD1 no hydrogen 2.849 N/A LEU 152.A N ASP 149.A O no hydrogen 3.056 N/A THR 153.A N ALA 110.A O no hydrogen 3.115 N/A ILE 154.A N ASP 181.A OD2 no hydrogen 2.958 N/A ILE 155.A N LEU 112.A O no hydrogen 2.847 N/A ALA 156.A N GLY 182.A O no hydrogen 3.188 N/A ARG 157.A N ILE 114.A O no hydrogen 2.791 N/A THR 158.A N CYS 184.A O no hydrogen 2.958 N/A THR 158.A OG1 ASP 116.A OD1 no hydrogen 2.960 N/A THR 158.A OG1 ASP 116.A OD2 no hydrogen 3.138 N/A ASN 159.A N THR 158.A OG1 no hydrogen 2.719 N/A ALA 160.A N VAL 186.A O no hydrogen 2.801 N/A GLU 161.A N ASN 159.A OD1 no hydrogen 2.772 N/A ALA 167.A N ASP 164.A OD2 no hydrogen 3.159 N/A VAL 168.A N ASP 164.A O no hydrogen 3.008 N/A ILE 169.A N VAL 165.A O no hydrogen 2.853 N/A GLN 170.A N ASP 166.A O no hydrogen 2.909 N/A ARG 171.A N ALA 167.A O no hydrogen 3.025 N/A ARG 171.A NH1 ASP 116.A OD2 no hydrogen 2.897 N/A ARG 171.A NH1 ILE 131.A O no hydrogen 2.821 N/A ARG 171.A NH1 TYR 175.A OH no hydrogen 3.398 N/A ARG 171.A NH2 ILE 131.A O no hydrogen 2.748 N/A THR 172.A N VAL 168.A O no hydrogen 2.878 N/A THR 172.A OG1 VAL 168.A O no hydrogen 2.628 N/A THR 172.A OG1 ILE 169.A O no hydrogen 3.425 N/A LEU 173.A N ILE 169.A O no hydrogen 3.010 N/A ALA 174.A N GLN 170.A O no hydrogen 3.065 N/A TYR 175.A N ARG 171.A O no hydrogen 2.885 N/A TYR 175.A OH ASP 116.A OD2 no hydrogen 2.624 N/A GLN 176.A N THR 172.A O no hydrogen 2.813 N/A GLN 176.A NE2 HIS 200.A O no hydrogen 3.434 N/A GLU 177.A N LEU 173.A O no hydrogen 2.752 N/A ALA 178.A N ALA 174.A O no hydrogen 2.821 N/A GLY 179.A N GLN 176.A O no hydrogen 3.063 N/A ALA 180.A N TYR 175.A O no hydrogen 2.995 N/A ASP 181.A N ILE 154.A O no hydrogen 2.801 N/A ILE 183.A N PRO 204.A O no hydrogen 3.139 N/A CYS 184.A N ALA 156.A O no hydrogen 2.845 N/A CYS 184.A SG MET 206.A O no hydrogen 4.025 N/A LEU 185.A N MET 206.A O no hydrogen 2.850 N/A VAL 186.A N THR 158.A O no hydrogen 3.075 N/A ARG 189.A N HIS 193.A ND1 no hydrogen 2.956 N/A HIS 193.A N ASP 190.A OD1 no hydrogen 2.888 N/A LEU 194.A N ASP 190.A O no hydrogen 2.805 N/A GLU 195.A N PHE 191.A O no hydrogen 2.714 N/A ALA 196.A N ALA 192.A O no hydrogen 3.245 N/A ILE 197.A N HIS 193.A O no hydrogen 3.394 N/A ALA 198.A N LEU 194.A O no hydrogen 2.781 N/A GLU 199.A N GLU 195.A O no hydrogen 3.073 N/A LEU 201.A N ALA 198.A O no hydrogen 3.035 N/A HIS 202.A N GLN 176.A OE1 no hydrogen 2.710 N/A LEU 205.A N GLY 225.A O no hydrogen 2.851 N/A MET 206.A N ILE 183.A O no hydrogen 2.809 N/A LEU 207.A N VAL 228.A O no hydrogen 2.891 N/A VAL 208.A N LEU 185.A O no hydrogen 2.910 N/A THR 209.A N VAL 230.A O no hydrogen 3.105 N/A ASN 212.A N THR 209.A O no hydrogen 3.085 N/A ASN 212.A ND2 ARG 189.A O no hydrogen 2.983 N/A GLN 214.A N ASN 212.A OD1 no hydrogen 3.020 N/A LEU 215.A N ASN 212.A O no hydrogen 3.276 N/A ARG 220.A N ASP 217.A OD1 no hydrogen 3.238 N/A ARG 220.A NH2 GLU 195.A OE2 no hydrogen 3.130 N/A LEU 221.A N ASP 217.A O no hydrogen 2.867 N/A ALA 222.A N ASP 218.A O no hydrogen 2.838 N/A ARG 223.A N ALA 219.A O no hydrogen 3.062 N/A LEU 224.A N ARG 220.A O no hydrogen 3.370 N/A LEU 224.A N LEU 221.A O no hydrogen 2.927 N/A GLY 225.A N ALA 222.A O no hydrogen 2.973 N/A VAL 226.A N LEU 221.A O no hydrogen 3.172 N/A ARG 227.A N LEU 205.A O no hydrogen 2.785 N/A ARG 227.A NE LEU 15.A O no hydrogen 3.273 N/A ARG 227.A NE SER 17.A O no hydrogen 2.782 N/A ARG 227.A NH1 ALA 222.A O no hydrogen 2.897 N/A ARG 227.A NH1 VAL 226.A O no hydrogen 2.977 N/A VAL 228.A N LEU 205.A O no hydrogen 3.445 N/A VAL 229.A N TYR 21.A O no hydrogen 2.929 N/A VAL 230.A N LEU 207.A O no hydrogen 2.909 N/A HIS 233.A ND1 SER 25.A OG no hydrogen 2.691 N/A TYR 236.A N HIS 233.A O no hydrogen 3.209 N/A PHE 237.A N HIS 233.A O no hydrogen 3.500 N/A ALA 238.A N ALA 234.A O no hydrogen 2.915 N/A ALA 239.A N ALA 235.A O no hydrogen 3.276 N/A ILE 240.A N TYR 236.A O no hydrogen 3.080 N/A LYS 241.A N PHE 237.A O no hydrogen 2.983 N/A LYS 241.A NZ ASP 245.A OD1 no hydrogen 2.948 N/A LYS 241.A NZ ASP 245.A OD2 no hydrogen 2.952 N/A ALA 242.A N ALA 238.A O no hydrogen 2.807 N/A THR 243.A N ALA 239.A O no hydrogen 3.081 N/A THR 243.A OG1 ALA 239.A O no hydrogen 3.118 N/A TYR 244.A N ILE 240.A O no hydrogen 2.977 N/A ASP 245.A N LYS 241.A O no hydrogen 2.752 N/A CYS 246.A N ALA 242.A O no hydrogen 2.918 N/A CYS 246.A SG GLU 250.A OE2 no hydrogen 3.594 N/A LEU 247.A N THR 243.A O no hydrogen 3.025 N/A ARG 248.A N TYR 244.A O no hydrogen 2.854 N/A GLU 249.A N ASP 245.A O no hydrogen 3.055 N/A GLU 250.A N CYS 246.A O no hydrogen 2.923 N/A ARG 251.A N LEU 247.A O no hydrogen 2.747 N/A GLY 252.A N GLU 249.A O no hydrogen 3.255 N/A ALA 253.A N ARG 248.A O no hydrogen 2.981 N/A LEU 258.A N SER 256.A OG no hydrogen 3.217 N/A THR 259.A N GLU 262.A OE1 no hydrogen 2.848 N/A GLU 262.A N THR 259.A OG1 no hydrogen 3.212 N/A LEU 263.A N THR 259.A O no hydrogen 2.956 N/A SER 264.A N ALA 260.A O no hydrogen 2.996 N/A SER 264.A OG ALA 260.A O no hydrogen 2.942 N/A LYS 265.A N SER 261.A O no hydrogen 3.000 N/A LYS 266.A N GLU 262.A O no hydrogen 2.962 N/A TYR 267.A N LEU 263.A O no hydrogen 3.386 N/A THR 268.A N LYS 265.A O no hydrogen 2.902 N/A THR 268.A OG1 LYS 265.A O no hydrogen 2.629 N/A PHE 269.A N LYS 266.A O no hydrogen 3.199 N/A TYR 273.A N PHE 269.A O no hydrogen 3.284 N/A GLN 274.A N PRO 270.A O no hydrogen 2.861 N/A ALA 275.A N GLU 271.A O no hydrogen 2.782 N/A TRP 276.A N GLU 272.A O no hydrogen 3.065 N/A ALA 277.A N TYR 273.A O no hydrogen 3.010 N/A ARG 278.A N GLN 274.A O no hydrogen 3.009 N/A ARG 278.A NH1 GLN 274.A OE1 no hydrogen 3.118 N/A ASP 279.A N ALA 275.A O no hydrogen 2.929 N/A TYR 280.A N TRP 276.A O no hydrogen 2.892 N/A MET 281.A N ALA 277.A O no hydrogen 2.870 N/A LYS 284.A NZ ASP 279.A OD1 no hydrogen 2.712 N/A