Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5c8r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 19.A N LYS 16.A O no hydrogen 3.077 N/A CYS 21.A SG GLY 39.A O no hydrogen 3.172 N/A ARG 22.A NE ASP 24.A OD1 no hydrogen 2.871 N/A ARG 22.A NH1 ASP 24.A OD1 no hydrogen 3.397 N/A ARG 22.A NH1 ASP 24.A OD2 no hydrogen 2.926 N/A ARG 22.A NH1 VAL 267.A O no hydrogen 3.011 N/A ARG 22.A NH2 GLU 38.A O no hydrogen 2.908 N/A ASP 24.A N ASP 24.A OD1 no hydrogen 2.655 N/A THR 29.A N ALA 33.A O no hydrogen 2.774 N/A THR 29.A OG1 ALA 33.A O no hydrogen 3.490 N/A TRP 31.A N THR 29.A OG1 no hydrogen 3.275 N/A TRP 31.A NE1 PRO 247.A O no hydrogen 2.779 N/A LEU 32.A N THR 29.A O no hydrogen 2.877 N/A ALA 33.A N THR 29.A OG1 no hydrogen 3.006 N/A ILE 35.A N VAL 27.A O no hydrogen 2.874 N/A VAL 36.A N VAL 250.A O no hydrogen 2.830 N/A TRP 37.A NE1 LEU 26.A O no hydrogen 2.976 N/A GLU 38.A N GLU 254.A OE1 no hydrogen 2.774 N/A GLU 38.A N GLU 254.A OE2 no hydrogen 3.212 N/A THR 40.A N TRP 37.A O no hydrogen 3.100 N/A THR 40.A OG1 TRP 37.A O no hydrogen 2.693 N/A LEU 46.A N ASN 42.A O no hydrogen 3.220 N/A ASN 47.A N ILE 43.A O no hydrogen 2.775 N/A GLU 48.A N ASP 44.A O no hydrogen 3.109 N/A GLN 49.A N ILE 45.A O no hydrogen 3.005 N/A PHE 50.A N LEU 46.A O no hydrogen 2.960 N/A ARG 51.A N ASN 47.A O no hydrogen 2.818 N/A LEU 52.A N GLU 48.A O no hydrogen 2.971 N/A GLN 53.A N PHE 50.A O no hydrogen 3.238 N/A ASN 54.A N ARG 51.A O no hydrogen 2.903 N/A THR 55.A N PHE 50.A O no hydrogen 3.273 N/A THR 55.A OG1 PHE 50.A O no hydrogen 2.833 N/A THR 56.A N ASP 137.A OD2 no hydrogen 2.883 N/A ILE 57.A N ARG 87.A O no hydrogen 2.890 N/A GLY 58.A N TYR 138.A O no hydrogen 2.824 N/A LEU 59.A N HIS 89.A O no hydrogen 2.929 N/A THR 60.A N VAL 140.A O no hydrogen 2.835 N/A VAL 61.A N TYR 91.A O no hydrogen 3.053 N/A ALA 63.A N PHE 93.A O no hydrogen 2.824 N/A LYS 65.A N ASP 95.A OD1 no hydrogen 2.985 N/A LYS 65.A N ASP 95.A OD2 no hydrogen 3.331 N/A TYR 67.A N ILE 64.A O no hydrogen 3.169 N/A VAL 68.A N LYS 65.A O no hydrogen 3.415 N/A ALA 69.A N LYS 66.A O no hydrogen 3.167 N/A PHE 70.A N TYR 67.A O no hydrogen 3.085 N/A LEU 71.A N VAL 68.A O no hydrogen 3.149 N/A LYS 72.A NZ.A GLU 76.A OE2 no hydrogen 3.054 N/A LYS 72.A NZ.B GLU 76.A OE1 no hydrogen 2.792 N/A LYS 72.A NZ.B GLU 76.A OE2 no hydrogen 3.300 N/A PHE 74.A N PHE 70.A O no hydrogen 3.152 N/A LEU 75.A N LEU 71.A O no hydrogen 2.862 N/A GLU 76.A N LYS 72.A O no hydrogen 2.921 N/A THR 77.A N LEU 73.A O no hydrogen 2.978 N/A THR 77.A OG1 LEU 73.A O no hydrogen 2.769 N/A THR 77.A OG1 PHE 74.A O no hydrogen 3.237 N/A ALA 78.A N PHE 74.A O no hydrogen 2.918 N/A GLU 79.A N LEU 75.A O no hydrogen 2.965 N/A HIS 81.A N ALA 78.A O no hydrogen 3.248 N/A PHE 82.A N ALA 78.A O no hydrogen 2.859 N/A MET 83.A N VAL 152.A O no hydrogen 2.845 N/A HIS 86.A N MET 83.A O no hydrogen 2.976 N/A VAL 88.A N GLY 108.A O no hydrogen 3.268 N/A HIS 89.A N ILE 57.A O no hydrogen 2.930 N/A HIS 89.A NE2 SER 112.A OG no hydrogen 2.744 N/A TYR 90.A N GLN 110.A O no hydrogen 2.792 N/A TYR 90.A OH GLU 79.A OE1 no hydrogen 2.613 N/A TYR 91.A N LEU 59.A O no hydrogen 2.815 N/A TYR 91.A OH GLU 135.A OE2 no hydrogen 2.692 N/A VAL 92.A N SER 112.A O no hydrogen 2.940 N/A PHE 93.A N VAL 61.A O no hydrogen 2.916 N/A THR 94.A N LEU 114.A O no hydrogen 2.989 N/A THR 94.A OG1 ALA 63.A O no hydrogen 2.672 N/A GLN 96.A N THR 94.A OG1 no hydrogen 2.995 N/A GLN 96.A NE2 LYS 65.A O no hydrogen 2.781 N/A GLN 96.A NE2 ASP 95.A OD1 no hydrogen 2.947 N/A ALA 99.A N GLN 96.A O no hydrogen 2.871 N/A VAL 100.A N PRO 97.A O no hydrogen 3.254 N/A GLY 106.A N GLU 79.A OE2 no hydrogen 2.763 N/A ARG 109.A NE GLU 79.A OE1 no hydrogen 2.745 N/A ARG 109.A NH1 PHE 82.A O no hydrogen 3.076 N/A ARG 109.A NH1 MET 83.A O no hydrogen 3.343 N/A ARG 109.A NH2 GLU 79.A OE1 no hydrogen 3.500 N/A ARG 109.A NH2 PHE 82.A O no hydrogen 2.869 N/A ARG 109.A NH2 TYR 90.A OH no hydrogen 3.013 N/A GLN 110.A N VAL 88.A O no hydrogen 2.942 N/A SER 112.A N TYR 90.A O no hydrogen 2.893 N/A SER 112.A OG HIS 89.A NE2 no hydrogen 2.744 N/A LEU 114.A N VAL 92.A O no hydrogen 2.821 N/A VAL 116.A N THR 94.A O no hydrogen 2.951 N/A ARG 120.A NH1 ASP 143.A OD1 no hydrogen 3.390 N/A ARG 120.A NH1 ASP 234.A OD1.A no hydrogen 3.259 N/A ARG 120.A NH2 ASP 143.A OD1 no hydrogen 2.849 N/A GLU 122.A N MET 118.A O no hydrogen 3.346 N/A MET 123.A N ARG 119.A O no hydrogen 2.605 N/A ILE 124.A N ARG 120.A O no hydrogen 2.836 N/A SER 125.A N MET 121.A O no hydrogen 3.094 N/A SER 125.A OG MET 121.A O no hydrogen 2.977 N/A SER 125.A OG GLU 122.A O no hydrogen 3.325 N/A CYS 128.A SG MET 123.A O no hydrogen 3.455 N/A ARG 131.A NE GLU 135.A OE2 no hydrogen 3.134 N/A PHE 132.A N CYS 128.A O no hydrogen 3.012 N/A LEU 133.A N GLU 129.A O no hydrogen 3.217 N/A SER 134.A N ARG 130.A O no hydrogen 3.222 N/A SER 134.A OG ARG 130.A O no hydrogen 3.389 N/A SER 134.A OG ARG 131.A O no hydrogen 2.673 N/A GLU 135.A N PHE 132.A O no hydrogen 3.157 N/A VAL 136.A N PHE 132.A O no hydrogen 3.063 N/A ASP 137.A N THR 56.A O no hydrogen 2.849 N/A TYR 138.A N THR 56.A O no hydrogen 3.328 N/A LEU 139.A N GLY 204.A O no hydrogen 2.849 N/A VAL 140.A N GLY 58.A O no hydrogen 2.839 N/A CYS 141.A N PHE 202.A O no hydrogen 2.821 N/A CYS 141.A SG THR 60.A OG1 no hydrogen 3.432 N/A VAL 142.A N THR 60.A O no hydrogen 3.193 N/A ASP 143.A N GLY 200.A O no hydrogen 3.058 N/A ASP 145.A N ASP 145.A OD1 no hydrogen 2.725 N/A GLU 147.A N THR 274.A O no hydrogen 2.875 N/A PHE 148.A N THR 77.A OG1 no hydrogen 2.906 N/A ARG 149.A N ARG 272.A O no hydrogen 2.814 N/A ARG 149.A NE THR 274.A OG1 no hydrogen 2.888 N/A ARG 149.A NH1 GLN 259.A OE1 no hydrogen 2.959 N/A ARG 149.A NH2 GLN 259.A OE1 no hydrogen 2.648 N/A ASP 150.A N ARG 272.A O no hydrogen 3.286 N/A HIS 151.A N ASP 150.A OD1 no hydrogen 2.741 N/A HIS 151.A NE2 GLU 155.A OE2 no hydrogen 2.668 N/A VAL 152.A N HIS 81.A O no hydrogen 2.958 N/A GLY 153.A N GLU 155.A OE1 no hydrogen 2.910 N/A GLU 155.A N GLU 155.A OE2 no hydrogen 2.821 N/A ILE 156.A N GLY 153.A O no hydrogen 3.103 N/A LEU 157.A N VAL 154.A O no hydrogen 2.958 N/A THR 158.A OG1 THR 248.A OG1 no hydrogen 2.678 N/A LEU 160.A N THR 248.A OG1 no hydrogen 2.985 N/A PHE 161.A N GLY 203.A O no hydrogen 2.822 N/A THR 163.A OG1 PHE 201.A O no hydrogen 2.822 N/A LEU 164.A N LEU 251.A O no hydrogen 2.872 N/A HIS 165.A N TYR 196.A O no hydrogen 2.939 N/A SER 167.A N HIS 165.A ND1 no hydrogen 3.131 N/A PHE 168.A N HIS 165.A O no hydrogen 3.200 N/A SER 171.A N PHE 168.A O no hydrogen 2.990 N/A SER 171.A OG PHE 168.A O no hydrogen 3.563 N/A ARG 173.A NE GLY 193.A O no hydrogen 2.886 N/A ARG 173.A NH1 GLY 193.A O no hydrogen 2.914 N/A GLU 174.A N GLU 174.A OE1 no hydrogen 2.794 N/A ALA 175.A N SER 172.A O no hydrogen 2.968 N/A PHE 176.A N ARG 173.A O no hydrogen 3.111 N/A THR 177.A OG1 TYR 196.A OH no hydrogen 3.320 N/A TYR 178.A OH PHE 195.A O no hydrogen 2.696 N/A ARG 180.A NH1 ILE 188.A O no hydrogen 2.829 N/A ARG 180.A NH2 ARG 173.A O no hydrogen 3.013 N/A ARG 180.A NH2 PHE 176.A O no hydrogen 2.935 N/A ARG 181.A N GLU 179.A OE1 no hydrogen 2.865 N/A ARG 181.A NE GLU 179.A OE1 no hydrogen 2.779 N/A ARG 181.A NH2 GLU 179.A OE2 no hydrogen 2.986 N/A ARG 181.A NH2 GLU 229.A O.A no hydrogen 2.848 N/A ARG 181.A NH2 GLU 229.A O.B no hydrogen 2.742 N/A SER 184.A N ARG 181.A O no hydrogen 3.062 N/A SER 184.A OG ASP 223.A OD2 no hydrogen 2.715 N/A GLN 185.A N ASP 223.A OD1 no hydrogen 2.830 N/A ALA 186.A N SER 184.A OG no hydrogen 3.032 N/A TYR 187.A N SER 184.A O no hydrogen 3.030 N/A ILE 188.A N GLU 179.A O no hydrogen 2.980 N/A GLU 192.A N PRO 189.A O no hydrogen 3.063 N/A TYR 196.A OH GLU 235.A OE1 no hydrogen 2.659 N/A TYR 197.A N ASN 239.A OD1 no hydrogen 2.884 N/A MET 198.A N.A THR 163.A O no hydrogen 2.921 N/A MET 198.A N.B THR 163.A O no hydrogen 2.866 N/A GLY 199.A N GLU 235.A OE2 no hydrogen 2.781 N/A PHE 202.A N CYS 141.A O no hydrogen 3.135 N/A GLY 203.A N PHE 161.A O no hydrogen 3.162 N/A GLY 204.A N LEU 139.A O no hydrogen 2.938 N/A SER 205.A N PRO 159.A O no hydrogen 2.881 N/A VAL 206.A N ASP 137.A O no hydrogen 3.314 N/A GLU 208.A N SER 205.A OG no hydrogen 3.135 N/A VAL 209.A N SER 205.A O no hydrogen 2.909 N/A GLN 210.A N VAL 206.A O no hydrogen 2.863 N/A GLN 210.A NE2 ILE 124.A O no hydrogen 2.910 N/A ARG 211.A N GLN 207.A O no hydrogen 2.994 N/A ARG 211.A NH2 GLU 208.A OE1 no hydrogen 2.683 N/A LEU 212.A N GLU 208.A O no hydrogen 2.956 N/A THR 213.A N VAL 209.A O no hydrogen 2.878 N/A THR 213.A OG1 VAL 209.A O no hydrogen 2.918 N/A THR 213.A OG1 GLN 210.A O no hydrogen 3.349 N/A ARG 214.A N GLN 210.A O no hydrogen 2.916 N/A ALA 215.A N ARG 211.A O no hydrogen 2.995 N/A CYS 216.A N LEU 212.A O no hydrogen 2.902 N/A CYS 216.A SG LEU 212.A O no hydrogen 3.383 N/A HIS 217.A N THR 213.A O no hydrogen 2.898 N/A GLN 218.A N.A ARG 214.A O no hydrogen 2.884 N/A GLN 218.A N.B ARG 214.A O no hydrogen 2.887 N/A ALA 219.A N ALA 215.A O no hydrogen 2.925 N/A MET 220.A N CYS 216.A O no hydrogen 2.893 N/A MET 221.A N HIS 217.A O no hydrogen 2.940 N/A VAL 222.A N GLN 218.A O.A no hydrogen 3.015 N/A VAL 222.A N GLN 218.A O.B no hydrogen 3.016 N/A ASP 223.A N ALA 219.A O no hydrogen 3.010 N/A GLN 224.A N MET 220.A O no hydrogen 2.984 N/A ALA 225.A N MET 221.A O no hydrogen 2.989 N/A ASN 226.A N VAL 222.A O no hydrogen 2.964 N/A GLY 227.A N GLN 224.A O no hydrogen 3.084 N/A ILE 228.A N ASP 223.A O no hydrogen 2.930 N/A VAL 231.A N GLU 179.A OE2 no hydrogen 2.810 N/A TRP 232.A N SER 236.A OG no hydrogen 2.882 N/A HIS 233.A N ALA 230.A O no hydrogen 2.948 N/A SER 236.A N HIS 233.A O no hydrogen 3.047 N/A HIS 237.A N HIS 233.A O no hydrogen 3.503 N/A HIS 237.A ND1 HIS 233.A O no hydrogen 3.248 N/A LEU 238.A N ASP 234.A O.A no hydrogen 2.844 N/A LEU 238.A N ASP 234.A O.B no hydrogen 2.842 N/A ASN 239.A N GLU 235.A O no hydrogen 2.977 N/A ASN 239.A ND2 TYR 197.A O no hydrogen 2.894 N/A ASN 239.A ND2 GLU 235.A O no hydrogen 2.915 N/A LYS 240.A N SER 236.A O no hydrogen 3.062 N/A LYS 240.A NZ GLN 185.A O no hydrogen 2.956 N/A LYS 240.A NZ TYR 187.A O no hydrogen 2.828 N/A TYR 241.A N HIS 237.A O no hydrogen 2.867 N/A LEU 242.A N LEU 238.A O no hydrogen 2.941 N/A LEU 243.A N ASN 239.A O no hydrogen 3.038 N/A ARG 244.A N LYS 240.A O no hydrogen 3.194 N/A ARG 244.A NH2.A GLU 192.A OE1 no hydrogen 2.859 N/A HIS 245.A N TYR 241.A O no hydrogen 2.763 N/A HIS 245.A ND1 TYR 241.A O no hydrogen 3.054 N/A LYS 246.A NZ ASP 194.A OD2 no hydrogen 2.740 N/A LYS 246.A NZ LEU 243.A O no hydrogen 2.858 N/A THR 248.A N LEU 160.A O no hydrogen 2.720 N/A THR 248.A OG1 THR 158.A OG1 no hydrogen 2.678 N/A THR 248.A OG1 LEU 160.A O no hydrogen 3.088 N/A LYS 249.A N LEU 160.A O no hydrogen 3.317 N/A LYS 249.A NZ GLU 155.A O no hydrogen 2.794 N/A LYS 249.A NZ LEU 157.A O no hydrogen 2.755 N/A VAL 250.A N PRO 34.A O no hydrogen 2.907 N/A LEU 251.A N GLY 162.A O no hydrogen 2.831 N/A SER 252.A N VAL 36.A O no hydrogen 3.139 N/A SER 252.A OG VAL 36.A O no hydrogen 2.777 N/A GLU 254.A N SER 252.A OG no hydrogen 3.390 N/A TYR 255.A N SER 252.A O no hydrogen 3.043 N/A TYR 255.A OH GLU 155.A OE1 no hydrogen 2.659 N/A LEU 256.A N PRO 253.A O no hydrogen 3.119 N/A TRP 257.A N PHE 273.A O no hydrogen 2.999 N/A TRP 257.A NE1 GLY 263.A O no hydrogen 2.752 N/A LEU 261.A N ASP 258.A OD1 no hydrogen 3.020 N/A LEU 262.A N ASP 258.A O no hydrogen 2.927 N/A GLY 263.A N GLN 259.A O no hydrogen 2.868 N/A TRP 264.A NE1 LEU 268.A O no hydrogen 2.726 N/A LEU 268.A N PRO 265.A O no hydrogen 3.001 N/A LYS 270.A NZ ASP 150.A OD1 no hydrogen 3.202 N/A ARG 272.A N GLU 254.A O no hydrogen 2.846 N/A ARG 272.A NE GLU 254.A OE2 no hydrogen 2.810 N/A ARG 272.A NH1 HIS 151.A O no hydrogen 2.919 N/A ARG 272.A NH2 GLU 38.A OE1 no hydrogen 2.873 N/A ARG 272.A NH2 GLU 254.A OE2 no hydrogen 2.864 N/A THR 274.A N GLU 147.A O no hydrogen 2.882 N/A ALA 275.A N TRP 257.A O no hydrogen 2.858 N/A VAL 276.A N ASP 145.A O no hydrogen 3.077 N/A