Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3i8s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N GLN 51.A O no hydrogen 2.833 N/A THR 5.A N ASP 83.A OD2 no hydrogen 2.853 N/A ILE 6.A N THR 53.A O no hydrogen 2.895 N/A GLY 7.A N LEU 84.A O no hydrogen 3.074 N/A LEU 8.A N VAL 55.A O no hydrogen 2.782 N/A ILE 9.A N ILE 86.A O no hydrogen 3.016 N/A SER 14.A OG ASN 11.A O no hydrogen 2.752 N/A LYS 16.A NZ.A LEU 57.A O no hydrogen 2.764 N/A LYS 16.A NZ.B ASP 56.A OD1 no hydrogen 2.759 N/A LYS 16.A NZ.B ASP 56.A OD2 no hydrogen 3.450 N/A LYS 16.A NZ.B LEU 57.A O no hydrogen 2.780 N/A THR 18.A OG1.A GLY 15.A O no hydrogen 2.922 N/A LEU 19.A N GLY 15.A O no hydrogen 3.038 N/A PHE 20.A N LYS 16.A O.A no hydrogen 2.901 N/A PHE 20.A N LYS 16.A O.B no hydrogen 2.882 N/A ASN 21.A N THR 17.A O no hydrogen 3.017 N/A GLN 22.A N THR 18.A O no hydrogen 2.849 N/A LEU 23.A N LEU 19.A O no hydrogen 2.925 N/A THR 24.A N PHE 20.A O no hydrogen 3.060 N/A THR 24.A OG1 PHE 20.A O no hydrogen 2.891 N/A GLY 25.A N ASN 21.A O no hydrogen 2.919 N/A ARG 27.A N THR 24.A O no hydrogen 2.943 N/A ARG 27.A NE GLN 44.A O no hydrogen 2.855 N/A ARG 27.A NH2 GLN 44.A O no hydrogen 3.296 N/A GLN 28.A N SER 26.A O no hydrogen 3.001 N/A GLN 28.A NE2 ASN 21.A OD1 no hydrogen 2.966 N/A GLN 28.A NE2 GLY 25.A O no hydrogen 3.051 N/A ARG 29.A N GLU 42.A O no hydrogen 2.778 N/A ARG 29.A NH2 GLU 42.A OE2 no hydrogen 2.859 N/A GLY 31.A N ARG 40.A O no hydrogen 2.819 N/A ASN 32.A ND2.A VAL 36.A O no hydrogen 3.686 N/A ASN 32.A ND2.B TRP 33.A O no hydrogen 2.731 N/A ASN 32.A ND2.B VAL 36.A O no hydrogen 2.810 N/A TRP 33.A N VAL 38.A O no hydrogen 2.881 N/A VAL 36.A N TRP 33.A O no hydrogen 3.201 N/A ARG 40.A N GLY 31.A O no hydrogen 2.820 N/A ARG 40.A NE GLU 42.A OE1 no hydrogen 3.300 N/A ARG 40.A NH2 GLU 42.A OE1 no hydrogen 3.009 N/A GLU 42.A N ARG 29.A O no hydrogen 3.087 N/A GLY 43.A N LEU 54.A O no hydrogen 2.921 N/A GLN 44.A N ARG 27.A O no hydrogen 2.996 N/A PHE 45.A N VAL 52.A O no hydrogen 3.115 N/A SER 46.A OG.B GLN 51.A OE1 no hydrogen 2.474 N/A THR 47.A N HIS 50.A O no hydrogen 2.860 N/A THR 47.A OG1 HIS 50.A O no hydrogen 3.345 N/A THR 47.A OG1 ASP 160.A OD1 no hydrogen 3.335 N/A THR 47.A OG1 ASP 160.A OD2 no hydrogen 2.525 N/A ASP 49.A N ASP 160.A OD1 no hydrogen 3.102 N/A HIS 50.A N THR 47.A OG1 no hydrogen 2.887 N/A HIS 50.A ND1 ASP 160.A OD2 no hydrogen 2.730 N/A VAL 52.A N PHE 45.A O no hydrogen 2.768 N/A THR 53.A N LEU 4.A O no hydrogen 2.898 N/A LEU 54.A N GLY 43.A O no hydrogen 2.850 N/A VAL 55.A N ILE 6.A O no hydrogen 2.872 N/A ASP 56.A N LYS 41.A O no hydrogen 3.007 N/A LEU 57.A N LEU 8.A O no hydrogen 2.837 N/A THR 60.A N GLY 10.A O no hydrogen 2.970 N/A THR 60.A OG1 SER 62.A O no hydrogen 2.652 N/A TYR 61.A OH TYR 245.A OH no hydrogen 2.599 N/A LEU 63.A N GLN 103.A OE1.A no hydrogen 2.907 N/A LEU 63.A N GLN 103.A OE1.B no hydrogen 2.575 N/A THR 64.A N SER 62.A OG no hydrogen 3.036 N/A THR 64.A OG1 GLN 103.A OE1.A no hydrogen 3.079 N/A THR 65.A N ASP 208.A OD2 no hydrogen 3.001 N/A THR 65.A OG1 GLU 70.A OE1 no hydrogen 2.689 N/A GLU 70.A N SER 67.A OG no hydrogen 3.336 N/A GLN 71.A NE2 THR 65.A OG1 no hydrogen 3.057 N/A ILE 72.A N LEU 68.A O no hydrogen 2.865 N/A ALA 73.A N ASP 69.A O no hydrogen 3.164 N/A CYS 74.A N GLU 70.A O no hydrogen 3.006 N/A CYS 74.A SG LEU 63.A O no hydrogen 3.560 N/A HIS 75.A N GLN 71.A O no hydrogen 2.792 N/A TYR 76.A N ILE 72.A O no hydrogen 2.988 N/A ILE 77.A N ALA 73.A O no hydrogen 3.033 N/A LEU 78.A N CYS 74.A O no hydrogen 2.964 N/A SER 79.A N TYR 76.A O no hydrogen 3.009 N/A SER 79.A OG TYR 76.A O no hydrogen 2.613 N/A ASP 81.A N SER 79.A OG no hydrogen 3.223 N/A ASP 83.A N THR 5.A O no hydrogen 2.726 N/A LEU 84.A N THR 5.A O no hydrogen 3.431 N/A LEU 85.A N PRO 110.A O no hydrogen 2.920 N/A ILE 86.A N GLY 7.A O no hydrogen 2.847 N/A ASN 87.A N ILE 112.A O no hydrogen 2.861 N/A ASN 87.A ND2 THR 101.A OG1 no hydrogen 2.721 N/A VAL 88.A N ILE 9.A O no hydrogen 2.877 N/A VAL 89.A N ALA 114.A O no hydrogen 2.884 N/A ASP 90.A N ASN 97.A OD1 no hydrogen 2.972 N/A ALA 91.A N ASN 116.A O no hydrogen 2.864 N/A SER 92.A N ASP 90.A OD1 no hydrogen 2.887 N/A SER 92.A OG ASP 90.A OD1 no hydrogen 2.631 N/A SER 92.A OG ASP 90.A OD2 no hydrogen 3.233 N/A ASN 93.A N ASP 90.A O no hydrogen 3.035 N/A ASN 93.A ND2 ASP 90.A OD2 no hydrogen 2.844 N/A ASN 97.A N ASN 93.A O no hydrogen 2.894 N/A ASN 97.A ND2 ASN 93.A O no hydrogen 2.880 N/A LEU 98.A N LEU 94.A O no hydrogen 2.843 N/A TYR 99.A N ARG 96.A O no hydrogen 3.341 N/A THR 101.A OG1 ASN 97.A O no hydrogen 3.346 N/A LEU 102.A N LEU 98.A O no hydrogen 2.951 N/A GLN 103.A N TYR 99.A O no hydrogen 3.202 N/A GLN 103.A NE2.A GLN 203.A OE1 no hydrogen 3.234 N/A GLN 103.A NE2.B THR 64.A OG1 no hydrogen 2.742 N/A LEU 104.A N LEU 100.A O no hydrogen 3.074 N/A LEU 105.A N THR 101.A O no hydrogen 2.940 N/A GLU 106.A N LEU 102.A O no hydrogen 2.949 N/A LEU 107.A N GLN 103.A O no hydrogen 3.166 N/A GLY 108.A N LEU 104.A O no hydrogen 3.257 N/A GLY 108.A N LEU 105.A O no hydrogen 2.982 N/A CYS 111.A N.A ASN 165.A OD1 no hydrogen 2.956 N/A CYS 111.A N.B ASN 165.A OD1 no hydrogen 3.010 N/A CYS 111.A SG.A ILE 109.A O no hydrogen 3.297 N/A ILE 112.A N LEU 85.A O no hydrogen 2.926 N/A VAL 113.A N PRO 140.A O no hydrogen 2.872 N/A ALA 114.A N ASN 87.A O no hydrogen 2.871 N/A LEU 115.A N ILE 142.A O no hydrogen 2.851 N/A ASN 116.A N VAL 89.A O no hydrogen 2.877 N/A ASN 116.A ND2 SER 14.A O no hydrogen 3.364 N/A ALA 121.A N MET 117.A O no hydrogen 3.071 N/A GLU 122.A N LEU 118.A O no hydrogen 3.086 N/A LYS 123.A N ASP 119.A O no hydrogen 3.062 N/A GLN 124.A N ILE 120.A O no hydrogen 2.974 N/A GLN 124.A N ALA 121.A O no hydrogen 3.010 N/A ASN 125.A N GLU 122.A O no hydrogen 2.805 N/A ILE 126.A N ALA 121.A O no hydrogen 2.848 N/A ARG 127.A N ASN 257.A O no hydrogen 3.040 N/A GLU 129.A N VAL 255.A O no hydrogen 2.769 N/A LEU 133.A N GLU 129.A O no hydrogen 3.036 N/A SER 134.A N ILE 130.A O no hydrogen 2.923 N/A SER 134.A OG CYS 139.A O no hydrogen 2.635 N/A ALA 135.A N ASP 131.A O no hydrogen 2.916 N/A ARG 136.A N ALA 132.A O no hydrogen 3.295 N/A ARG 136.A N LEU 133.A O no hydrogen 3.081 N/A ARG 136.A NH1 ALA 132.A O no hydrogen 3.037 N/A LEU 137.A N LEU 133.A O no hydrogen 2.990 N/A GLY 138.A N SER 134.A O no hydrogen 2.805 N/A CYS 139.A SG PRO 140.A O no hydrogen 3.805 N/A ILE 142.A N VAL 113.A O no hydrogen 2.773 N/A LEU 144.A N LEU 115.A O no hydrogen 2.698 N/A VAL 145.A N PRO 143.A O no hydrogen 2.953 N/A GLY 149.A N SER 146.A O no hydrogen 3.176 N/A ARG 150.A N THR 147.A O no hydrogen 3.141 N/A GLY 151.A N VAL 145.A O no hydrogen 2.912 N/A GLU 153.A N GLY 149.A O no hydrogen 3.081 N/A ALA 154.A N ARG 150.A O no hydrogen 2.934 N/A LEU 155.A N GLY 151.A O no hydrogen 2.874 N/A LYS 156.A N ILE 152.A O no hydrogen 2.978 N/A LYS 156.A NZ SER 46.A O no hydrogen 2.861 N/A LEU 157.A N GLU 153.A O no hydrogen 3.070 N/A ALA 158.A N ALA 154.A O no hydrogen 2.994 N/A ILE 159.A N LEU 155.A O no hydrogen 2.905 N/A ASP 160.A N LYS 156.A O no hydrogen 3.097 N/A ARG 161.A N ALA 158.A O no hydrogen 3.116 N/A TYR 162.A N ILE 159.A O no hydrogen 3.038 N/A ASN 165.A ND2 ILE 109.A O no hydrogen 2.749 N/A GLU 166.A N GLY 138.A O no hydrogen 2.652 N/A HIS 172.A ND1 GLU 169.A OE1 no hydrogen 2.780 N/A TYR 173.A OH GLU 106.A OE1 no hydrogen 2.965 N/A TYR 173.A OH GLU 106.A OE2 no hydrogen 2.948 N/A GLN 175.A NE2 ASN 179.A OD1 no hydrogen 3.043 N/A LEU 178.A N ALA 174.A O no hydrogen 3.315 N/A ASN 179.A N GLN 175.A O no hydrogen 2.851 N/A GLU 180.A N PRO 176.A O no hydrogen 2.943 N/A ALA 181.A N LEU 177.A O no hydrogen 2.926 N/A ASP 182.A N LEU 178.A O no hydrogen 2.899 N/A SER 183.A N ASN 179.A O no hydrogen 2.961 N/A SER 183.A OG ASN 179.A O no hydrogen 3.253 N/A LEU 184.A N GLU 180.A O no hydrogen 2.948 N/A ALA 185.A N ALA 181.A O no hydrogen 2.842 N/A LYS 186.A N ASP 182.A O no hydrogen 2.939 N/A LYS 186.A NZ SER 183.A OG no hydrogen 3.418 N/A VAL 187.A N.A LEU 184.A O no hydrogen 3.012 N/A VAL 187.A N.B LEU 184.A O no hydrogen 3.069 N/A MET 188.A N ALA 185.A O no hydrogen 3.203 N/A ILE 192.A N PRO 189.A O no hydrogen 3.143 N/A LYS 195.A NZ LEU 105.A O no hydrogen 3.318 N/A LYS 195.A NZ GLU 106.A O no hydrogen 3.406 N/A ARG 197.A N PRO 193.A O no hydrogen 2.948 N/A ARG 197.A NE ILE 192.A O no hydrogen 2.759 N/A ARG 197.A NH1 ALA 185.A O no hydrogen 3.003 N/A ARG 198.A N LEU 194.A O no hydrogen 2.866 N/A ARG 198.A NE ASP 182.A OD2 no hydrogen 3.044 N/A ARG 198.A NH2 ASP 182.A OD2 no hydrogen 3.279 N/A TRP 199.A N LYS 195.A O no hydrogen 2.961 N/A LEU 200.A N GLN 196.A O no hydrogen 2.860 N/A GLY 201.A N ARG 197.A O no hydrogen 2.911 N/A LEU 202.A N ARG 198.A O no hydrogen 3.127 N/A GLN 203.A N TRP 199.A O no hydrogen 2.913 N/A GLN 203.A NE2 THR 64.A OG1 no hydrogen 3.042 N/A GLN 203.A NE2 ASP 208.A OD2 no hydrogen 2.993 N/A MET 204.A N LEU 200.A O no hydrogen 2.918 N/A LEU 205.A N GLY 201.A O no hydrogen 3.065 N/A GLU 206.A N LEU 202.A O no hydrogen 2.942 N/A GLY 207.A N MET 204.A O no hydrogen 3.006 N/A ASP 208.A N GLN 203.A O no hydrogen 2.909 N/A SER 211.A N ASP 208.A OD1 no hydrogen 3.041 N/A SER 211.A OG.A ASP 208.A O no hydrogen 2.801 N/A ARG 212.A N ILE 209.A O no hydrogen 3.178 N/A ALA 213.A N TYR 210.A O no hydrogen 2.960 N/A TYR 214.A N SER 211.A O no hydrogen 3.183 N/A ALA 215.A N ARG 212.A O no hydrogen 3.070 N/A ALA 218.A N ALA 215.A O no hydrogen 3.048 N/A SER 219.A N GLY 216.A O no hydrogen 3.349 N/A GLN 220.A N GLU 217.A O no hydrogen 3.138 N/A HIS 221.A N ALA 218.A O no hydrogen 2.893 N/A ALA 225.A N HIS 221.A O no hydrogen 3.066 N/A LEU 226.A N LEU 222.A O no hydrogen 2.845 N/A ALA 227.A N ASP 223.A O no hydrogen 3.018 N/A ARG 228.A N ALA 224.A O no hydrogen 3.188 N/A ARG 228.A NE GLU 180.A OE1 no hydrogen 3.447 N/A ARG 228.A NE GLU 180.A OE2 no hydrogen 2.892 N/A ARG 228.A NH2 GLU 180.A OE1 no hydrogen 2.959 N/A LEU 229.A N ALA 225.A O no hydrogen 3.069 N/A ARG 230.A N LEU 226.A O no hydrogen 2.879 N/A ASN 231.A N ALA 227.A O no hydrogen 3.119 N/A GLU 232.A N ARG 228.A O no hydrogen 3.059 N/A MET 233.A N LEU 229.A O no hydrogen 2.868 N/A LEU 238.A N ASP 235.A OD1 no hydrogen 3.156 N/A HIS 239.A N ASP 235.A O no hydrogen 3.063 N/A ILE 240.A N PRO 236.A O no hydrogen 3.157 N/A ALA 241.A N ALA 237.A O no hydrogen 3.314 N/A ASP 242.A N LEU 238.A O no hydrogen 2.806 N/A ALA 243.A N HIS 239.A O no hydrogen 2.995 N/A ARG 244.A N ILE 240.A O no hydrogen 3.332 N/A ARG 244.A NE TYR 173.A OH no hydrogen 2.770 N/A ARG 244.A NH1 TYR 99.A OH no hydrogen 3.223 N/A ARG 244.A NH1 GLN 203.A OE1 no hydrogen 3.400 N/A ARG 244.A NH1 GLU 206.A OE1 no hydrogen 2.992 N/A ARG 244.A NH2 TYR 173.A OH no hydrogen 3.399 N/A ARG 244.A NH2 GLN 203.A OE1 no hydrogen 2.950 N/A TYR 245.A N ALA 241.A O no hydrogen 3.031 N/A TYR 245.A OH TYR 61.A OH no hydrogen 2.599 N/A GLN 246.A N ASP 242.A O no hydrogen 2.815 N/A CYS 247.A N ALA 243.A O no hydrogen 3.039 N/A ILE 248.A N ARG 244.A O no hydrogen 3.077 N/A ALA 249.A N TYR 245.A O no hydrogen 2.856 N/A ALA 250.A N GLN 246.A O no hydrogen 2.973 N/A ILE 251.A N CYS 247.A O no hydrogen 3.071 N/A CYS 252.A N ILE 248.A O no hydrogen 2.921 N/A CYS 252.A SG ILE 248.A O no hydrogen 3.425 N/A ASP 253.A N ALA 249.A O no hydrogen 2.973 N/A VAL 254.A N ILE 251.A O no hydrogen 3.066 N/A VAL 255.A N ILE 251.A O no hydrogen 2.921 N/A SER 256.A N CYS 252.A O no hydrogen 3.012 N/A ASN 257.A N ARG 127.A O no hydrogen 2.983 N/A ASN 257.A ND2 VAL 254.A O no hydrogen 3.030 N/A LEU 259.A N ASN 125.A O no hydrogen 3.079 N/A THR 260.A OG1 ASN 125.A OD1 no hydrogen 2.893 N/A