Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6dud_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N VAL 74.A O no hydrogen 3.059 N/A ARG 7.A NH2 GLU 5.A OE2 no hydrogen 3.110 N/A HIS 8.A N GLU 5.A O no hydrogen 2.961 N/A LEU 9.A N GLU 6.A O no hydrogen 3.024 N/A LYS 10.A N ARG 27.A O no hydrogen 2.873 N/A LYS 10.A NZ ARG 7.A O no hydrogen 3.514 N/A LYS 10.A NZ ASP 29.A O no hydrogen 3.168 N/A ILE 12.A N LEU 25.A O no hydrogen 2.915 N/A SER 13.A N LEU 25.A O no hydrogen 3.295 N/A GLN 14.A NE2 TYR 11.A OH no hydrogen 3.016 N/A GLN 14.A NE2 GLU 24.A OE2 no hydrogen 2.813 N/A LEU 15.A N VAL 23.A O no hydrogen 2.752 N/A GLY 16.A N VAL 23.A O no hydrogen 3.049 N/A GLY 18.A N GLY 21.A O no hydrogen 3.015 N/A GLY 21.A N GLY 18.A O no hydrogen 3.306 N/A SER 22.A N GLN 43.A O no hydrogen 3.025 N/A SER 22.A OG GLN 43.A OE1 no hydrogen 3.110 N/A VAL 23.A N GLY 16.A O no hydrogen 2.869 N/A GLU 24.A N VAL 41.A O no hydrogen 2.829 N/A LEU 25.A N SER 13.A O no hydrogen 2.757 N/A CYS 26.A N VAL 39.A O no hydrogen 2.969 N/A ARG 27.A N LYS 10.A O no hydrogen 2.840 N/A ARG 27.A NH1 GLY 36.A O no hydrogen 2.954 N/A TYR 28.A N ALA 37.A O no hydrogen 2.756 N/A ASP 29.A N HIS 8.A O no hydrogen 2.889 N/A GLY 32.A N ASP 29.A O no hydrogen 2.985 N/A ASN 34.A N ASP 29.A OD2 no hydrogen 2.793 N/A THR 35.A N ASP 33.A OD1 no hydrogen 3.156 N/A THR 35.A OG1 ASP 33.A OD1 no hydrogen 2.652 N/A THR 35.A OG1 ASP 33.A OD2 no hydrogen 3.387 N/A GLY 36.A N ASP 29.A OD1 no hydrogen 2.904 N/A VAL 39.A N CYS 26.A O no hydrogen 2.841 N/A ALA 40.A N MET 81.A O no hydrogen 2.923 N/A VAL 41.A N GLU 24.A O no hydrogen 2.821 N/A LYS 42.A N LEU 79.A O no hydrogen 2.784 N/A LYS 42.A NZ GLU 56.A OE1 no hydrogen 2.764 N/A LYS 42.A NZ GLU 56.A OE2 no hydrogen 3.473 N/A GLN 43.A N SER 22.A O no hydrogen 3.014 N/A GLN 43.A NE2 VAL 41.A O no hydrogen 3.430 N/A GLN 45.A N PHE 20.A O no hydrogen 2.873 N/A GLN 50.A N GLY 46.A O no hydrogen 3.191 N/A ARG 51.A N PRO 47.A O no hydrogen 3.407 N/A ASP 52.A N ASP 48.A O no hydrogen 2.911 N/A PHE 53.A N GLN 49.A O no hydrogen 2.803 N/A GLN 54.A N GLN 50.A O no hydrogen 2.986 N/A ARG 55.A N ARG 51.A O no hydrogen 2.957 N/A ARG 55.A NE ALA 150.A O no hydrogen 2.759 N/A GLU 56.A N ASP 52.A O no hydrogen 2.999 N/A ILE 57.A N PHE 53.A O no hydrogen 3.066 N/A GLN 58.A N GLN 54.A O no hydrogen 3.023 N/A ILE 59.A N ARG 55.A O no hydrogen 2.900 N/A LEU 60.A N GLU 56.A O no hydrogen 2.909 N/A LYS 61.A N ILE 57.A O no hydrogen 2.995 N/A ALA 62.A N ILE 59.A O no hydrogen 3.168 N/A LEU 63.A N LEU 60.A O no hydrogen 3.074 N/A HIS 64.A N TYR 118.A OH no hydrogen 2.893 N/A PHE 67.A N SER 65.A OG no hydrogen 3.019 N/A ILE 68.A N SER 65.A O no hydrogen 3.218 N/A VAL 69.A N ILE 144.A O no hydrogen 2.896 N/A LYS 70.A N GLU 82.A OE2 no hydrogen 2.896 N/A ARG 72.A N VAL 80.A O no hydrogen 2.784 N/A GLY 73.A N VAL 80.A O no hydrogen 3.106 N/A VAL 74.A N THR 2.A O no hydrogen 3.067 N/A SER 75.A N ARG 78.A O no hydrogen 2.919 N/A SER 75.A OG GLU 6.A OE1 no hydrogen 2.743 N/A ARG 78.A N SER 75.A O no hydrogen 2.880 N/A ARG 78.A NH1 GLU 6.A OE1 no hydrogen 3.423 N/A LEU 79.A N LYS 42.A O no hydrogen 2.928 N/A VAL 80.A N GLY 73.A O no hydrogen 2.784 N/A MET 81.A N ALA 40.A O no hydrogen 2.796 N/A GLU 82.A N LYS 70.A O no hydrogen 3.055 N/A GLY 87.A N LEU 84.A O no hydrogen 2.926 N/A LEU 89.A N ILE 134.A O no hydrogen 2.711 N/A ARG 90.A N ALA 131.A O no hydrogen 3.224 N/A ARG 90.A NE ASP 91.A OD1 no hydrogen 3.167 N/A PHE 92.A N CYS 88.A O no hydrogen 3.072 N/A LEU 93.A N LEU 89.A O no hydrogen 2.829 N/A ARG 95.A N ASP 91.A O no hydrogen 3.095 N/A ARG 95.A NH2 SER 86.A O no hydrogen 3.295 N/A HIS 96.A N PHE 92.A O no hydrogen 2.967 N/A ARG 99.A N HIS 96.A O no hydrogen 2.905 N/A ARG 99.A NH1 GLU 139.A OE2 no hydrogen 3.466 N/A LEU 100.A N ARG 97.A O no hydrogen 3.267 N/A ARG 104.A N ASP 101.A OD1 no hydrogen 3.135 N/A ARG 104.A NH1 GLU 139.A O no hydrogen 3.052 N/A LEU 105.A N ASP 101.A O no hydrogen 3.141 N/A LEU 106.A N ALA 102.A O no hydrogen 2.952 N/A LEU 107.A N SER 103.A O no hydrogen 2.906 N/A TYR 108.A N ARG 104.A O no hydrogen 2.966 N/A TYR 108.A OH GLU 139.A O no hydrogen 2.592 N/A SER 109.A N LEU 105.A O no hydrogen 2.909 N/A SER 109.A OG LEU 105.A O no hydrogen 2.847 N/A SER 110.A N LEU 106.A O no hydrogen 2.910 N/A SER 110.A OG ASP 268.A OD1 no hydrogen 2.622 N/A GLN 111.A N LEU 107.A O no hydrogen 3.064 N/A GLN 111.A NE2 ALA 140.A O no hydrogen 3.028 N/A ILE 112.A N TYR 108.A O no hydrogen 2.906 N/A CYS 113.A N SER 109.A O no hydrogen 2.950 N/A CYS 113.A SG PHE 260.A O no hydrogen 3.162 N/A LYS 114.A N SER 110.A O no hydrogen 2.918 N/A GLY 115.A N GLN 111.A O no hydrogen 2.974 N/A MET 116.A N ILE 112.A O no hydrogen 2.912 N/A GLU 117.A N CYS 113.A O no hydrogen 2.817 N/A TYR 118.A N LYS 114.A O no hydrogen 3.073 N/A LEU 119.A N GLY 115.A O no hydrogen 2.894 N/A GLY 120.A N MET 116.A O no hydrogen 2.902 N/A SER 121.A N GLU 117.A O no hydrogen 3.005 N/A SER 121.A OG TYR 118.A O no hydrogen 2.691 N/A ARG 122.A N TYR 118.A O no hydrogen 3.210 N/A ARG 122.A N LEU 119.A O no hydrogen 2.954 N/A ARG 123.A N GLY 120.A O no hydrogen 3.012 N/A ARG 123.A NE LEU 153.A O no hydrogen 3.108 N/A ARG 123.A NE PRO 154.A O no hydrogen 3.354 N/A ARG 123.A NH1 PRO 154.A O no hydrogen 2.826 N/A ARG 123.A NH1 ASP 158.A OD1 no hydrogen 3.229 N/A CYS 124.A N LEU 119.A O no hydrogen 2.985 N/A VAL 125.A N LYS 151.A O no hydrogen 2.844 N/A HIS 126.A N ASP 188.A OD2 no hydrogen 2.803 N/A HIS 126.A NE2 ALA 145.A O no hydrogen 2.845 N/A ARG 127.A N ASP 188.A OD1 no hydrogen 3.001 N/A ARG 127.A NE LEU 149.A O no hydrogen 3.077 N/A ARG 127.A NH2 LEU 149.A O no hydrogen 3.322 N/A ASP 128.A N HIS 126.A ND1 no hydrogen 3.016 N/A ALA 131.A N GLU 198.A OE2 no hydrogen 2.835 N/A ASN 133.A N ALA 130.A O no hydrogen 2.848 N/A ASN 133.A ND2 ASP 128.A O no hydrogen 2.786 N/A ILE 134.A N ALA 131.A O no hydrogen 3.273 N/A LEU 135.A N LYS 143.A O no hydrogen 2.741 N/A VAL 136.A N GLY 87.A O no hydrogen 2.871 N/A GLU 137.A N HIS 141.A O no hydrogen 2.803 N/A SER 138.A N HIS 141.A O no hydrogen 3.162 N/A ALA 140.A N SER 138.A OG no hydrogen 3.359 N/A HIS 141.A N SER 138.A O no hydrogen 3.056 N/A HIS 141.A NE2 ASP 66.A O no hydrogen 2.705 N/A VAL 142.A N GLN 111.A OE1 no hydrogen 2.927 N/A LYS 143.A N LEU 135.A O no hydrogen 2.820 N/A LYS 143.A NZ GLU 82.A OE1 no hydrogen 3.460 N/A LYS 143.A NZ GLU 82.A OE2 no hydrogen 2.765 N/A ILE 144.A N PHE 67.A O no hydrogen 2.789 N/A ALA 145.A N ASN 133.A O no hydrogen 2.850 N/A GLY 148.A N ASP 146.A OD1 no hydrogen 3.111 N/A ALA 150.A N PHE 147.A O no hydrogen 3.202 N/A LYS 151.A N VAL 125.A O no hydrogen 2.944 N/A LEU 153.A N ARG 123.A O no hydrogen 2.757 N/A LYS 157.A N PRO 154.A O no hydrogen 3.448 N/A TYR 160.A N PHE 183.A O no hydrogen 2.776 N/A VAL 162.A N ASN 181.A O no hydrogen 3.067 N/A SER 168.A N TYR 173.A OH no hydrogen 3.009 N/A TRP 172.A NE1 GLU 198.A OE2 no hydrogen 2.894 N/A TYR 173.A N ILE 170.A O no hydrogen 3.269 N/A GLU 176.A N GLU 176.A OE2 no hydrogen 2.809 N/A SER 177.A N ALA 174.A O no hydrogen 2.946 N/A SER 177.A OG ILE 182.A O no hydrogen 2.699 N/A LEU 178.A N ALA 174.A O no hydrogen 3.017 N/A SER 179.A N PRO 175.A O no hydrogen 2.799 N/A SER 179.A OG PRO 175.A O no hydrogen 3.075 N/A SER 179.A OG ASP 180.A OD2 no hydrogen 2.934 N/A ASP 180.A N GLU 176.A O no hydrogen 2.948 N/A ASN 181.A N SER 177.A O no hydrogen 2.972 N/A ILE 182.A N GLU 176.A O no hydrogen 3.331 N/A PHE 183.A N TYR 160.A O no hydrogen 2.795 N/A SER 184.A N SER 187.A OG no hydrogen 2.862 N/A SER 184.A OG GLN 186.A OE1 no hydrogen 3.044 N/A ARG 185.A NH1 GLY 120.A O no hydrogen 3.071 N/A GLN 186.A N SER 184.A OG no hydrogen 3.075 N/A SER 187.A N SER 184.A O no hydrogen 3.117 N/A SER 187.A N SER 184.A OG no hydrogen 3.187 N/A SER 187.A OG SER 184.A O no hydrogen 2.942 N/A ASP 188.A N SER 184.A O no hydrogen 3.212 N/A VAL 189.A N ARG 185.A O no hydrogen 3.092 N/A TRP 190.A N GLN 186.A O no hydrogen 3.205 N/A SER 191.A N SER 187.A O no hydrogen 3.084 N/A SER 191.A OG TRP 172.A O no hydrogen 2.830 N/A SER 191.A OG SER 187.A O no hydrogen 3.312 N/A PHE 192.A N ASP 188.A O no hydrogen 2.795 N/A GLY 193.A N VAL 189.A O no hydrogen 3.083 N/A VAL 194.A N TRP 190.A O no hydrogen 3.284 N/A VAL 195.A N SER 191.A O no hydrogen 2.924 N/A LEU 196.A N PHE 192.A O no hydrogen 2.846 N/A TYR 197.A N GLY 193.A O no hydrogen 3.011 N/A TYR 197.A OH CYS 207.A O no hydrogen 2.658 N/A GLU 198.A N VAL 194.A O no hydrogen 2.826 N/A LEU 199.A N VAL 195.A O no hydrogen 2.805 N/A PHE 200.A N LEU 196.A O no hydrogen 2.992 N/A THR 201.A N TYR 197.A O no hydrogen 3.035 N/A THR 201.A N GLU 198.A O no hydrogen 3.343 N/A THR 201.A OG1 TYR 197.A O no hydrogen 3.063 N/A THR 201.A OG1 GLU 198.A O no hydrogen 3.021 N/A TYR 202.A N LEU 199.A O no hydrogen 2.960 N/A TYR 202.A OH LEU 100.A O no hydrogen 2.614 N/A CYS 203.A N GLU 198.A O no hydrogen 2.871 N/A CYS 203.A SG GLU 198.A O no hydrogen 3.713 N/A ASP 204.A N THR 201.A O no hydrogen 2.988 N/A SER 206.A N ASP 204.A OD1 no hydrogen 3.315 N/A SER 206.A OG ASP 204.A OD1 no hydrogen 3.120 N/A SER 206.A OG ASP 204.A OD2 no hydrogen 2.684 N/A CYS 207.A SG ASP 204.A OD2 no hydrogen 3.327 N/A SER 208.A N LYS 205.A O no hydrogen 3.360 N/A SER 208.A OG LYS 205.A O no hydrogen 3.117 N/A SER 208.A OG SER 210.A OG no hydrogen 3.307 N/A SER 210.A OG SER 208.A OG no hydrogen 3.307 N/A ALA 211.A N SER 208.A OG no hydrogen 3.157 N/A GLU 212.A N SER 208.A O no hydrogen 2.841 N/A PHE 213.A N PRO 209.A O no hydrogen 2.952 N/A LEU 214.A N SER 210.A O no hydrogen 2.943 N/A ARG 215.A N ALA 211.A O no hydrogen 3.023 N/A ARG 215.A NE GLU 212.A OE1 no hydrogen 3.407 N/A ARG 215.A NE GLU 212.A OE2 no hydrogen 2.874 N/A ARG 215.A NH1 GLU 212.A OE1 no hydrogen 2.794 N/A MET 216.A N GLU 212.A O no hydrogen 2.970 N/A MET 217.A N PHE 213.A O no hydrogen 2.847 N/A LEU 222.A N ALA 218.A O no hydrogen 2.813 N/A LEU 223.A N LEU 219.A O no hydrogen 2.960 N/A GLU 224.A N SER 220.A O no hydrogen 2.937 N/A LEU 225.A N ARG 221.A O no hydrogen 3.003 N/A LEU 226.A N LEU 222.A O no hydrogen 2.926 N/A GLU 227.A N LEU 223.A O no hydrogen 2.887 N/A GLU 228.A N GLU 224.A O no hydrogen 3.052 N/A GLY 229.A N LEU 226.A O no hydrogen 2.924 N/A GLN 230.A N LEU 225.A O no hydrogen 3.054 N/A GLN 230.A NE2 GLU 228.A OE2 no hydrogen 3.106 N/A ARG 231.A NE TRP 250.A O no hydrogen 3.204 N/A ARG 231.A NH1 TRP 250.A O no hydrogen 2.757 N/A ARG 231.A NH2 LEU 226.A O no hydrogen 2.809 N/A ARG 231.A NH2 GLN 230.A O no hydrogen 2.995 N/A CYS 238.A N PRO 235.A O no hydrogen 2.973 N/A CYS 238.A SG PRO 239.A O no hydrogen 3.524 N/A GLU 241.A N GLU 241.A OE1 no hydrogen 2.816 N/A VAL 242.A N PRO 239.A O no hydrogen 3.043 N/A HIS 243.A N PRO 239.A O no hydrogen 3.309 N/A GLU 244.A N ALA 240.A O no hydrogen 2.915 N/A LEU 245.A N GLU 241.A O no hydrogen 3.140 N/A MET 246.A N VAL 242.A O no hydrogen 3.012 N/A LYS 247.A N HIS 243.A O no hydrogen 3.092 N/A LYS 247.A NZ GLU 244.A OE1 no hydrogen 3.501 N/A LYS 247.A NZ GLU 244.A OE2 no hydrogen 2.920 N/A LEU 248.A N GLU 244.A O no hydrogen 3.182 N/A CYS 249.A N LEU 245.A O no hydrogen 3.100 N/A CYS 249.A SG LEU 245.A O no hydrogen 3.483 N/A TRP 250.A N MET 246.A O no hydrogen 3.023 N/A TRP 250.A N LYS 247.A O no hydrogen 3.221 N/A ALA 251.A N LEU 248.A O no hydrogen 3.074 N/A ASP 256.A N SER 253.A O no hydrogen 2.957 N/A ARG 257.A N PRO 254.A O no hydrogen 3.234 N/A ARG 257.A NE ALA 251.A O no hydrogen 2.910 N/A ARG 257.A NH1 GLU 176.A OE2 no hydrogen 2.847 N/A ARG 257.A NH1 ALA 251.A O no hydrogen 3.272 N/A ARG 257.A NH1 PRO 252.A O no hydrogen 3.187 N/A ARG 257.A NH2 GLU 176.A OE1 no hydrogen 2.794 N/A ARG 257.A NH2 GLU 176.A OE2 no hydrogen 3.488 N/A ARG 257.A NH2 GLN 186.A O no hydrogen 3.095 N/A SER 259.A OG SER 261.A OG no hydrogen 2.778 N/A SER 261.A OG SER 259.A OG no hydrogen 2.778 N/A ALA 262.A N SER 259.A OG no hydrogen 3.059 N/A LEU 263.A N SER 259.A O no hydrogen 2.936 N/A GLY 264.A N PHE 260.A O no hydrogen 3.032 N/A LEU 267.A N LEU 263.A O no hydrogen 2.973 N/A ASP 268.A N GLY 264.A O no hydrogen 3.014 N/A MET 269.A N PRO 265.A O no hydrogen 2.818 N/A LEU 270.A N GLN 266.A O no hydrogen 3.317 N/A TRP 271.A N LEU 267.A O no hydrogen 2.971 N/A SER 272.A N ASP 268.A O no hydrogen 3.235 N/A