Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5buu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N LYS 48.A O no hydrogen 2.733 N/A VAL 5.A N ASP 82.A OD2 no hydrogen 2.674 N/A VAL 6.A N LYS 50.A O no hydrogen 2.970 N/A THR 7.A N ILE 83.A O no hydrogen 2.793 N/A THR 8.A N THR 52.A O no hydrogen 2.982 N/A THR 8.A OG1 ILE 85.A O no hydrogen 2.855 N/A ILE 9.A N THR 8.A OG1 no hydrogen 2.721 N/A VAL 15.A N GLU 11.A O no hydrogen 2.914 N/A MET 16.A N GLU 31.A O no hydrogen 2.708 N/A LYS 18.A N ARG 29.A O no hydrogen 2.983 N/A LYS 18.A NZ GLU 28.A O no hydrogen 3.042 N/A LYS 18.A NZ GLU 28.A OE1 no hydrogen 2.840 N/A HIS 21.A N LYS 18.A O no hydrogen 3.161 N/A MET 23.A N ASN 20.A O no hydrogen 3.138 N/A LEU 24.A N HIS 21.A O no hydrogen 2.920 N/A ASN 27.A ND2 TYR 49.A O no hydrogen 3.087 N/A GLU 28.A N GLU 25.A O no hydrogen 3.278 N/A ARG 29.A N GLY 26.A O no hydrogen 3.342 N/A ARG 29.A NE GLY 26.A O no hydrogen 2.704 N/A ARG 29.A NH2 GLY 26.A O no hydrogen 3.365 N/A TYR 30.A N ASN 27.A O no hydrogen 3.236 N/A GLU 31.A N MET 16.A O no hydrogen 2.918 N/A TYR 33.A N PRO 13.A O no hydrogen 2.966 N/A CYS 34.A N TYR 14.A O no hydrogen 3.035 N/A ASP 36.A N GLY 32.A O no hydrogen 3.061 N/A LEU 37.A N TYR 33.A O no hydrogen 2.938 N/A ALA 38.A N CYS 34.A O no hydrogen 2.914 N/A ALA 39.A N VAL 35.A O no hydrogen 3.223 N/A GLU 40.A N ASP 36.A O no hydrogen 3.038 N/A ILE 41.A N LEU 37.A O no hydrogen 2.896 N/A ALA 42.A N ALA 38.A O no hydrogen 3.007 N/A LYS 43.A N ALA 39.A O no hydrogen 3.091 N/A HIS 44.A N GLU 40.A O no hydrogen 3.238 N/A HIS 44.A ND1.B GLU 40.A O no hydrogen 3.232 N/A CYS 45.A N ILE 41.A O no hydrogen 3.018 N/A CYS 45.A SG ILE 41.A O no hydrogen 3.375 N/A PHE 47.A N ALA 42.A O no hydrogen 3.011 N/A LYS 50.A N VAL 4.A O no hydrogen 2.873 N/A LEU 51.A N ASN 27.A OD1 no hydrogen 2.738 N/A THR 52.A N VAL 6.A O no hydrogen 2.772 N/A VAL 54.A N THR 8.A O no hydrogen 2.844 N/A GLY 57.A N VAL 54.A O no hydrogen 3.180 N/A LYS 58.A N ASP 56.A OD2 no hydrogen 3.101 N/A LYS 58.A NZ SER 138.A OG no hydrogen 2.936 N/A TYR 59.A OH GLU 11.A OE1 no hydrogen 2.543 N/A GLY 60.A N SER 138.A O no hydrogen 3.240 N/A ALA 61.A N ASN 70.A OD1 no hydrogen 2.755 N/A ASP 63.A N ILE 68.A O no hydrogen 3.050 N/A LYS 67.A N ASP 63.A O no hydrogen 2.822 N/A ILE 68.A N THR 66.A OG1 no hydrogen 3.370 N/A TRP 69.A N TYR 78.A OH no hydrogen 2.827 N/A ASN 70.A N ALA 61.A O no hydrogen 3.107 N/A GLY 71.A N ASP 56.A OD1 no hydrogen 2.844 N/A MET 72.A N LYS 58.A O no hydrogen 3.231 N/A VAL 73.A N TYR 59.A O no hydrogen 3.379 N/A GLY 74.A N ASN 70.A O no hydrogen 3.072 N/A GLU 75.A N GLY 71.A O no hydrogen 3.179 N/A LEU 76.A N MET 72.A O no hydrogen 3.317 N/A VAL 77.A N VAL 73.A O no hydrogen 2.907 N/A TYR 78.A N GLY 74.A O no hydrogen 2.861 N/A GLY 79.A N LEU 76.A O no hydrogen 3.272 N/A LYS 80.A N GLU 75.A O no hydrogen 2.647 N/A ALA 81.A N GLU 75.A O no hydrogen 3.055 N/A ASP 82.A N VAL 5.A O no hydrogen 2.849 N/A ILE 83.A N VAL 5.A O no hydrogen 3.207 N/A ALA 84.A N ALA 221.A O no hydrogen 2.810 N/A ILE 85.A N THR 7.A O no hydrogen 3.258 N/A LEU 88.A N ALA 86.A O no hydrogen 2.660 N/A THR 89.A OG1 SER 140.A OG no hydrogen 3.182 N/A THR 89.A OG1 GLU 191.A OE2 no hydrogen 2.649 N/A ILE 90.A N GLY 217.A O no hydrogen 3.107 N/A ARG 94.A NH1 THR 89.A O no hydrogen 2.848 N/A ARG 94.A NH2 GLY 60.A O no hydrogen 3.046 N/A GLU 95.A N THR 91.A O no hydrogen 3.012 N/A GLU 96.A N TYR 92.A O no hydrogen 3.203 N/A VAL 97.A N ARG 94.A O no hydrogen 2.939 N/A ILE 98.A N ARG 94.A O no hydrogen 2.815 N/A ASP 99.A N THR 222.A O no hydrogen 2.900 N/A SER 101.A N ILE 220.A O no hydrogen 2.875 N/A SER 101.A OG LYS 102.A O no hydrogen 2.984 N/A LYS 102.A N ASN 233.A OD1 no hydrogen 2.779 N/A PHE 104.A N TYR 218.A O no hydrogen 2.863 N/A LEU 107.A N LYS 216.A O no hydrogen 3.004 N/A GLY 108.A N SER 192.A OG no hydrogen 2.898 N/A ILE 109.A N ASP 214.A OD1 no hydrogen 2.716 N/A SER 110.A N LEU 190.A O no hydrogen 2.670 N/A SER 110.A OG LEU 190.A O no hydrogen 2.769 N/A MET 112.A N TYR 188.A O no hydrogen 2.811 N/A ILE 113.A N MET 207.A O no hydrogen 3.100 N/A LYS 115.A N ASP 205.A O no hydrogen 2.911 N/A LYS 115.A NZ CYS 204.A O no hydrogen 3.057 N/A THR 117.A N LYS 114.A O no hydrogen 3.068 N/A THR 117.A OG1 LYS 114.A O no hydrogen 2.357 N/A ILE 119.A N THR 117.A O no hydrogen 2.760 N/A GLU 120.A N ASP 124.A OD2 no hydrogen 3.161 N/A ASP 124.A N SER 121.A OG no hydrogen 3.200 N/A LEU 125.A N SER 121.A O no hydrogen 3.228 N/A SER 126.A N ALA 122.A O no hydrogen 3.067 N/A SER 126.A OG GLU 123.A O no hydrogen 2.784 N/A LYS 127.A N GLU 123.A O no hydrogen 3.100 N/A LYS 127.A N ASP 124.A O no hydrogen 3.352 N/A GLN 128.A NE2 LEU 125.A O no hydrogen 2.895 N/A GLN 128.A NE2 ILE 131.A O no hydrogen 2.949 N/A ILE 131.A N GLN 128.A OE1 no hydrogen 2.450 N/A ALA 132.A N LYS 185.A O no hydrogen 2.865 N/A TYR 133.A N TYR 159.A OH no hydrogen 3.409 N/A THR 135.A OG1 LEU 136.A O no hydrogen 3.125 N/A ASP 137.A N VAL 169.A O no hydrogen 2.909 N/A SER 140.A OG THR 89.A OG1 no hydrogen 3.182 N/A LYS 142.A NZ ASP 137.A OD2 no hydrogen 3.051 N/A GLU 143.A N GLY 139.A O no hydrogen 3.494 N/A PHE 144.A N SER 140.A O no hydrogen 3.072 N/A PHE 145.A N THR 141.A O no hydrogen 3.439 N/A ARG 146.A N LYS 142.A O no hydrogen 3.081 N/A ARG 146.A NH1 GLU 143.A OE1 no hydrogen 2.724 N/A ARG 147.A N GLU 143.A O no hydrogen 3.018 N/A ARG 147.A NE GLU 143.A OE2 no hydrogen 3.159 N/A ILE 150.A N SER 148.A OG no hydrogen 3.239 N/A ASP 154.A N ILE 150.A O no hydrogen 2.864 N/A LYS 155.A N ALA 151.A O no hydrogen 2.905 N/A MET 156.A N VAL 152.A O no hydrogen 3.031 N/A TRP 157.A N PHE 153.A O no hydrogen 2.931 N/A THR 158.A N ASP 154.A O no hydrogen 2.933 N/A THR 158.A OG1 ASP 154.A O no hydrogen 2.927 N/A TYR 159.A N LYS 155.A O no hydrogen 3.221 N/A MET 160.A N MET 156.A O no hydrogen 2.873 N/A ARG 161.A N TRP 157.A O no hydrogen 2.900 N/A SER 162.A N TYR 159.A O no hydrogen 3.397 N/A SER 162.A OG.A THR 158.A O no hydrogen 3.349 N/A ALA 163.A N MET 160.A O no hydrogen 3.363 N/A PHE 168.A N SER 166.A OG no hydrogen 3.283 N/A VAL 169.A N THR 135.A O no hydrogen 3.025 N/A ARG 170.A N GLU 174.A OE1 no hydrogen 2.964 N/A THR 172.A OG1 GLU 11.A OE1 no hydrogen 3.060 N/A THR 172.A OG1 GLU 11.A OE2 no hydrogen 3.228 N/A GLU 174.A N THR 171.A OG1 no hydrogen 3.245 N/A GLY 175.A N THR 171.A O no hydrogen 3.262 N/A VAL 176.A N THR 172.A O no hydrogen 2.909 N/A ALA 177.A N ALA 173.A O no hydrogen 2.953 N/A ARG 178.A N GLU 174.A O no hydrogen 3.157 N/A ARG 178.A NH1 SER 166.A O no hydrogen 2.733 N/A ARG 178.A NH2 SER 166.A O no hydrogen 3.248 N/A VAL 179.A N GLY 175.A O no hydrogen 3.258 N/A ARG 180.A N VAL 176.A O no hydrogen 3.063 N/A ARG 180.A NE ASP 205.A OD1 no hydrogen 3.055 N/A LYS 181.A N ALA 177.A O no hydrogen 2.977 N/A SER 182.A OG ARG 178.A O no hydrogen 2.509 N/A LYS 185.A N SER 182.A O no hydrogen 2.920 N/A LYS 185.A NZ GLU 130.A OE2 no hydrogen 3.492 N/A TYR 186.A OH VAL 167.A O no hydrogen 2.707 N/A ALA 187.A N ALA 132.A O no hydrogen 2.828 N/A TYR 188.A N MET 112.A O no hydrogen 2.902 N/A LEU 189.A N GLY 134.A O no hydrogen 2.934 N/A LEU 190.A N SER 110.A O no hydrogen 3.114 N/A SER 192.A N GLY 108.A O no hydrogen 2.770 N/A SER 192.A OG GLY 108.A O no hydrogen 3.230 N/A THR 193.A OG1 TYR 14.A OH no hydrogen 3.400 N/A THR 193.A OG1 TYR 218.A OH no hydrogen 2.570 N/A ASN 195.A N GLU 191.A O no hydrogen 3.006 N/A ASN 195.A ND2 SER 110.A OG no hydrogen 3.181 N/A ASN 195.A ND2 ILE 111.A O no hydrogen 3.144 N/A GLU 196.A N SER 192.A O no hydrogen 2.806 N/A TYR 197.A N THR 193.A O no hydrogen 3.139 N/A ILE 198.A N MET 194.A O no hydrogen 3.001 N/A GLU 199.A N ASN 195.A O no hydrogen 2.995 N/A GLN 200.A N TYR 197.A O no hydrogen 3.065 N/A ARG 201.A N ILE 198.A O no hydrogen 2.924 N/A ARG 201.A NH1 LYS 256.A O no hydrogen 3.047 N/A LYS 202.A N GLU 258.A OE1 no hydrogen 3.179 N/A CYS 204.A N ARG 201.A O no hydrogen 2.910 N/A CYS 204.A SG ARG 201.A O no hydrogen 3.666 N/A CYS 204.A SG GLU 258.A O no hydrogen 3.979 N/A MET 207.A N ILE 113.A O no hydrogen 2.985 N/A LYS 208.A N GLU 199.A OE2 no hydrogen 3.329 N/A LYS 208.A NZ GLY 210.A O no hydrogen 2.766 N/A LYS 208.A NZ ASN 212.A OD1 no hydrogen 3.037 N/A VAL 209.A N ILE 111.A O no hydrogen 3.192 N/A LEU 213.A N ILE 109.A O no hydrogen 2.766 N/A LYS 216.A N LEU 107.A O no hydrogen 2.928 N/A LYS 216.A NZ ASP 214.A OD2 no hydrogen 2.720 N/A TYR 218.A N MET 105.A O no hydrogen 2.988 N/A TYR 218.A OH GLU 191.A OE1 no hydrogen 2.661 N/A TYR 218.A OH THR 193.A OG1 no hydrogen 2.570 N/A GLY 219.A N LEU 88.A O no hydrogen 3.185 N/A ILE 220.A N SER 101.A OG no hydrogen 3.016 N/A ALA 221.A N ALA 84.A O no hydrogen 3.153 N/A THR 222.A N ASP 99.A O no hydrogen 3.053 N/A LYS 224.A NZ GLU 96.A O no hydrogen 2.953 N/A SER 226.A N PRO 223.A O no hydrogen 3.169 N/A LEU 228.A N SER 226.A OG no hydrogen 3.130 N/A VAL 232.A N LEU 228.A O no hydrogen 3.093 N/A ASN 233.A N GLY 229.A O no hydrogen 3.051 N/A LEU 234.A N ASN 230.A O no hydrogen 3.073 N/A ALA 235.A N ALA 231.A O no hydrogen 2.897 N/A VAL 236.A N VAL 232.A O no hydrogen 2.946 N/A LEU 237.A N ASN 233.A O no hydrogen 3.165 N/A LYS 238.A N LEU 234.A O no hydrogen 3.001 N/A LEU 239.A N ALA 235.A O no hydrogen 3.046 N/A SER 240.A N VAL 236.A O no hydrogen 2.959 N/A GLU 241.A N LEU 237.A O no hydrogen 2.956 N/A GLN 242.A N LYS 238.A O no hydrogen 2.945 N/A GLY 243.A N SER 240.A O no hydrogen 3.166 N/A LEU 244.A N LEU 239.A O no hydrogen 2.819 N/A LEU 245.A N LEU 239.A O no hydrogen 3.444 N/A LYS 247.A N GLY 243.A O no hydrogen 3.202 N/A LEU 248.A N LEU 244.A O no hydrogen 2.999 N/A LYS 249.A N LEU 245.A O no hydrogen 3.199 N/A ASN 250.A N ASP 246.A O no hydrogen 3.170 N/A LYS 251.A N LYS 247.A O no hydrogen 3.020 N/A LYS 251.A NZ ASP 36.A OD2 no hydrogen 2.945 N/A TRP 252.A N LEU 248.A O no hydrogen 3.289 N/A TRP 252.A NE1 ASP 36.A OD2 no hydrogen 3.011 N/A TRP 253.A N LYS 249.A O no hydrogen 2.883 N/A TRP 253.A NE1 THR 193.A O no hydrogen 2.949 N/A TYR 254.A N ASN 250.A O no hydrogen 3.215 N/A ASP 255.A N ASN 250.A O no hydrogen 2.792 N/A GLY 257.A N TYR 254.A O no hydrogen 3.264 N/A GLU 258.A N GLN 200.A O no hydrogen 2.721 N/A CYS 259.A SG GLU 199.A O no hydrogen 3.534 N/A