Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5k72_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N LEU 77.A O no hydrogen 2.977 N/A PHE 5.A N PHE 79.A O no hydrogen 2.810 N/A PHE 7.A N ASP 82.A OD1 no hydrogen 2.858 N/A PHE 7.A N ASP 82.A OD2 no hydrogen 3.173 N/A GLU 9.A N SER 6.A O no hydrogen 3.147 N/A LYS 11.A N PHE 7.A O no hydrogen 2.986 N/A LYS 11.A NZ ASN 16.A OD1 no hydrogen 2.739 N/A ASN 12.A N TYR 8.A O no hydrogen 3.135 N/A VAL 13.A N GLU 9.A O no hydrogen 3.199 N/A THR 14.A N LEU 10.A O no hydrogen 3.272 N/A THR 14.A OG1 LEU 10.A O no hydrogen 2.728 N/A THR 14.A OG1 LYS 11.A O no hydrogen 3.257 N/A ASN 15.A N ASN 12.A O no hydrogen 2.997 N/A ASN 15.A ND2 ASP 18.A OD2 no hydrogen 2.842 N/A ASN 16.A N LYS 11.A O no hydrogen 2.762 N/A PHE 17.A N THR 14.A OG1 no hydrogen 3.174 N/A ASP 18.A N THR 14.A O no hydrogen 3.165 N/A ARG 20.A N ASP 18.A OD1 no hydrogen 3.381 N/A ILE 22.A N LYS 28.A O no hydrogen 3.229 N/A VAL 24.A N PRO 21.A O no hydrogen 3.132 N/A GLY 25.A N ILE 22.A O no hydrogen 2.979 N/A GLY 26.A N PRO 21.A O no hydrogen 2.948 N/A ASN 27.A N ASP 18.A O no hydrogen 3.056 N/A ASN 27.A ND2 LYS 39.A O no hydrogen 2.844 N/A LYS 28.A N ARG 20.A O no hydrogen 2.999 N/A LYS 28.A NZ GLU 31.A OE1 no hydrogen 2.807 N/A MET 29.A N VAL 37.A O no hydrogen 2.819 N/A GLY 32.A N GLY 35.A O no hydrogen 2.880 N/A VAL 36.A N LYS 51.A O no hydrogen 3.159 N/A VAL 37.A N GLY 30.A O no hydrogen 2.829 N/A TYR 38.A N VAL 49.A O no hydrogen 2.803 N/A TYR 38.A OH GLU 19.A OE2 no hydrogen 2.958 N/A LYS 39.A N ASN 27.A O no hydrogen 2.786 N/A LYS 39.A NZ TYR 92.A OH no hydrogen 3.410 N/A GLY 40.A N VAL 47.A O no hydrogen 2.851 N/A TYR 41.A N VAL 13.A O no hydrogen 3.428 N/A VAL 42.A N THR 45.A O no hydrogen 2.795 N/A THR 45.A N VAL 42.A O no hydrogen 3.118 N/A THR 45.A OG1 ASN 43.A O no hydrogen 3.263 N/A VAL 47.A N GLY 40.A O no hydrogen 2.756 N/A ALA 48.A N TYR 90.A O no hydrogen 3.088 N/A VAL 49.A N TYR 38.A O no hydrogen 2.781 N/A LYS 50.A N LEU 88.A O no hydrogen 2.861 N/A LYS 50.A NZ GLU 61.A OE2 no hydrogen 3.293 N/A LYS 51.A N VAL 36.A O no hydrogen 2.920 N/A LEU 52.A N LEU 86.A O no hydrogen 2.801 N/A ALA 53.A N PHE 34.A O no hydrogen 2.891 N/A LYS 55.A NZ ASP 59.A OD1 no hydrogen 2.799 N/A LYS 55.A NZ ASP 59.A OD2 no hydrogen 3.130 N/A PHE 58.A N LEU 54.A O no hydrogen 3.233 N/A ASP 59.A N LYS 55.A O no hydrogen 2.963 N/A GLN 60.A N GLN 56.A O no hydrogen 2.819 N/A GLU 61.A N GLN 57.A O no hydrogen 3.038 N/A ILE 62.A N PHE 58.A O no hydrogen 3.230 N/A LYS 63.A N ASP 59.A O no hydrogen 2.933 N/A VAL 64.A N GLN 60.A O no hydrogen 2.954 N/A MET 65.A N GLU 61.A O no hydrogen 2.971 N/A ALA 66.A N ILE 62.A O no hydrogen 2.983 N/A LYS 67.A N LYS 63.A O no hydrogen 3.347 N/A LYS 67.A N VAL 64.A O no hydrogen 3.207 N/A CYS 68.A N VAL 64.A O no hydrogen 2.767 N/A CYS 68.A SG HIS 135.A ND1 no hydrogen 3.728 N/A ASN 72.A N HIS 70.A ND1 no hydrogen 3.111 N/A ASN 72.A ND2 ALA 153.A O no hydrogen 2.970 N/A LEU 73.A N HIS 70.A O no hydrogen 3.177 N/A VAL 74.A N ILE 155.A O no hydrogen 2.988 N/A LEU 77.A N VAL 89.A O no hydrogen 2.790 N/A GLY 78.A N VAL 89.A O no hydrogen 3.178 N/A PHE 79.A N HIS 3.A O no hydrogen 3.098 N/A SER 80.A N CYS 87.A O no hydrogen 2.949 N/A SER 80.A OG PHE 5.A O no hydrogen 3.182 N/A SER 80.A OG ASP 82.A OD1 no hydrogen 2.975 N/A CYS 87.A N SER 80.A O no hydrogen 2.900 N/A LEU 88.A N LYS 50.A O no hydrogen 2.992 N/A VAL 89.A N GLY 78.A O no hydrogen 2.834 N/A TYR 90.A N ALA 48.A O no hydrogen 2.870 N/A TYR 90.A OH GLU 61.A OE1 no hydrogen 2.868 N/A VAL 91.A N GLU 75.A O no hydrogen 3.035 N/A ASN 95.A N LEU 147.A O no hydrogen 2.993 N/A ASN 95.A ND2 ASP 148.A O no hydrogen 2.750 N/A GLY 96.A N MET 93.A O no hydrogen 3.322 N/A LEU 98.A N ILE 145.A O no hydrogen 2.791 N/A LEU 99.A N SER 142.A O no hydrogen 3.317 N/A ASP 100.A N SER 97.A OG no hydrogen 3.316 N/A ARG 101.A N SER 97.A O no hydrogen 3.163 N/A ARG 101.A NE THR 108.A OG1 no hydrogen 2.911 N/A ARG 101.A NH1 LEU 105.A O no hydrogen 2.845 N/A ARG 101.A NH1 THR 108.A OG1 no hydrogen 3.245 N/A ARG 101.A NH2 ASN 95.A O no hydrogen 3.109 N/A LEU 102.A N LEU 98.A O no hydrogen 2.873 N/A SER 103.A N LEU 99.A O no hydrogen 3.126 N/A SER 103.A OG LEU 99.A O no hydrogen 3.152 N/A SER 103.A OG ASP 100.A O no hydrogen 3.207 N/A CYS 104.A N ARG 101.A O no hydrogen 3.290 N/A CYS 104.A SG ARG 101.A O no hydrogen 4.000 N/A LEU 105.A N ASP 100.A O no hydrogen 2.975 N/A THR 108.A OG1 LEU 105.A O no hydrogen 3.245 N/A TRP 113.A N ASP 239.A OD1 no hydrogen 2.792 N/A TRP 113.A NE1 SER 244.A OG no hydrogen 2.740 N/A HIS 114.A N ASP 239.A OD2 no hydrogen 3.185 N/A MET 115.A N SER 112.A OG no hydrogen 3.273 N/A ARG 116.A N SER 112.A O no hydrogen 2.983 N/A ARG 116.A NE LEU 111.A O no hydrogen 2.802 N/A ARG 116.A NH1 ILE 199.A O no hydrogen 2.807 N/A ARG 116.A NH1 ASP 234.A OD2 no hydrogen 2.841 N/A ARG 116.A NH2 LEU 111.A O no hydrogen 2.900 N/A ARG 116.A NH2 ASP 234.A OD2 no hydrogen 2.906 N/A CYS 117.A N TRP 113.A O no hydrogen 2.934 N/A CYS 117.A SG TRP 113.A O no hydrogen 3.428 N/A LYS 118.A N HIS 114.A O no hydrogen 3.306 N/A ILE 119.A N MET 115.A O no hydrogen 3.000 N/A ALA 120.A N ARG 116.A O no hydrogen 3.038 N/A GLN 121.A N CYS 117.A O no hydrogen 3.092 N/A GLY 122.A N LYS 118.A O no hydrogen 2.941 N/A ALA 123.A N ILE 119.A O no hydrogen 2.866 N/A ALA 124.A N ALA 120.A O no hydrogen 3.064 N/A ASN 125.A N GLN 121.A O no hydrogen 2.992 N/A GLY 126.A N GLY 122.A O no hydrogen 3.054 N/A ILE 127.A N ALA 123.A O no hydrogen 3.037 N/A ASN 128.A N ALA 124.A O no hydrogen 2.927 N/A ASN 128.A ND2 GLU 132.A OE2 no hydrogen 3.164 N/A PHE 129.A N ASN 125.A O no hydrogen 3.153 N/A LEU 130.A N GLY 126.A O no hydrogen 3.198 N/A HIS 131.A N ILE 127.A O no hydrogen 2.967 N/A HIS 131.A NE2 ASP 188.A OD2 no hydrogen 2.876 N/A GLU 132.A N ASN 128.A O no hydrogen 2.918 N/A ASN 133.A N PHE 129.A O no hydrogen 3.114 N/A ASN 133.A ND2 PHE 129.A O no hydrogen 2.839 N/A HIS 134.A N HIS 131.A O no hydrogen 3.105 N/A HIS 135.A N LEU 130.A O no hydrogen 2.840 N/A ILE 136.A N ARG 162.A O no hydrogen 2.854 N/A HIS 137.A N ASP 188.A OD2 no hydrogen 2.836 N/A HIS 137.A NE2 SER 156.A O no hydrogen 2.790 N/A ARG 138.A N ASP 188.A OD1 no hydrogen 3.015 N/A ARG 138.A NE LEU 160.A O no hydrogen 2.781 N/A ARG 138.A NH2 LEU 160.A O no hydrogen 3.303 N/A ASP 139.A N HIS 137.A ND1 no hydrogen 3.043 N/A LYS 141.A NZ THR 170.A OG1 no hydrogen 2.816 N/A SER 142.A OG TYR 173.A OH no hydrogen 3.122 N/A SER 142.A OG GLU 198.A OE1 no hydrogen 2.856 N/A SER 142.A OG GLU 198.A OE2 no hydrogen 3.252 N/A ASN 144.A N LYS 141.A O no hydrogen 2.927 N/A ASN 144.A ND2 ASP 139.A O no hydrogen 2.801 N/A ILE 145.A N SER 142.A O no hydrogen 3.277 N/A LEU 146.A N LYS 154.A O no hydrogen 2.759 N/A LEU 147.A N GLY 96.A O no hydrogen 2.796 N/A ASP 148.A N THR 152.A O no hydrogen 3.255 N/A GLU 149.A N GLU 149.A OE1 no hydrogen 2.888 N/A ALA 150.A N ASP 148.A OD1 no hydrogen 2.856 N/A PHE 151.A N ASP 148.A O no hydrogen 3.026 N/A THR 152.A N ASP 148.A OD1 no hydrogen 2.855 N/A LYS 154.A N LEU 146.A O no hydrogen 2.746 N/A LYS 154.A NZ GLU 71.A O no hydrogen 2.786 N/A LYS 154.A NZ GLU 71.A OE2 no hydrogen 3.464 N/A ILE 155.A N ASN 72.A O no hydrogen 2.863 N/A SER 156.A N ASN 144.A O no hydrogen 2.786 N/A SER 156.A OG ASN 144.A O no hydrogen 2.992 N/A ALA 161.A N PHE 158.A O no hydrogen 3.318 N/A ARG 162.A N ILE 136.A O no hydrogen 2.890 N/A THR 170.A OG1 ASP 139.A OD1 no hydrogen 2.935 N/A TYR 173.A N THR 170.A O no hydrogen 2.888 N/A TYR 173.A OH SER 142.A OG no hydrogen 3.122 N/A TYR 173.A OH GLU 198.A OE1 no hydrogen 3.023 N/A TYR 173.A OH GLU 198.A OE2 no hydrogen 2.709 N/A MET 174.A N THR 170.A O no hydrogen 3.105 N/A GLU 177.A N GLU 177.A OE1 no hydrogen 2.970 N/A ALA 178.A N ALA 175.A O no hydrogen 3.025 N/A LEU 179.A N ALA 175.A O no hydrogen 3.157 N/A ARG 180.A N PRO 176.A O no hydrogen 3.284 N/A ARG 180.A N GLU 177.A O no hydrogen 3.172 N/A GLY 181.A N ALA 178.A O no hydrogen 3.227 N/A GLU 182.A N GLU 177.A O no hydrogen 2.954 N/A ILE 183.A N VAL 164.A O no hydrogen 2.779 N/A LYS 186.A N THR 184.A OG1 no hydrogen 3.354 N/A LYS 186.A NZ ASN 261.A OD1 no hydrogen 2.793 N/A SER 187.A N THR 184.A O no hydrogen 3.078 N/A SER 187.A OG GLU 177.A OE2 no hydrogen 2.769 N/A ASP 188.A N PRO 185.A O no hydrogen 3.246 N/A TYR 190.A N LYS 186.A O no hydrogen 3.315 N/A SER 191.A N SER 187.A O no hydrogen 3.150 N/A SER 191.A OG TYR 173.A O no hydrogen 2.930 N/A SER 191.A OG SER 187.A O no hydrogen 3.169 N/A PHE 192.A N ASP 188.A O no hydrogen 2.952 N/A GLY 193.A N ILE 189.A O no hydrogen 3.082 N/A VAL 194.A N TYR 190.A O no hydrogen 3.311 N/A VAL 195.A N SER 191.A O no hydrogen 3.183 N/A LEU 196.A N PHE 192.A O no hydrogen 2.970 N/A LEU 197.A N GLY 193.A O no hydrogen 3.196 N/A GLU 198.A N VAL 194.A O no hydrogen 3.001 N/A ILE 199.A N VAL 195.A O no hydrogen 2.925 N/A ILE 200.A N LEU 196.A O no hydrogen 3.077 N/A THR 201.A N LEU 197.A O no hydrogen 3.014 N/A THR 201.A OG1 LEU 197.A O no hydrogen 2.738 N/A GLY 202.A N GLU 198.A O no hydrogen 2.755 N/A LEU 203.A N THR 201.A OG1 no hydrogen 3.127 N/A ALA 205.A N GLU 198.A OE2 no hydrogen 3.110 N/A ASP 207.A N GLN 213.A O no hydrogen 2.949 N/A HIS 209.A N ASP 207.A OD1 no hydrogen 3.328 N/A ARG 210.A N ASP 207.A O no hydrogen 3.239 N/A ARG 210.A NE PRO 212.A O no hydrogen 2.958 N/A ARG 210.A NH1 PRO 204.A O no hydrogen 2.853 N/A ARG 210.A NH2 PRO 204.A O no hydrogen 3.009 N/A ARG 210.A NH2 ALA 205.A O no hydrogen 3.557 N/A ARG 210.A NH2 GLN 213.A O no hydrogen 2.841 N/A LEU 215.A N ALA 205.A O no hydrogen 2.816 N/A ASP 217.A N LEU 214.A O no hydrogen 3.301 N/A ILE 218.A N LEU 215.A O no hydrogen 2.938 N/A LYS 219.A NZ LEU 256.A O no hydrogen 3.303 N/A GLU 220.A N ASP 217.A O no hydrogen 3.230 N/A GLU 221.A N ASP 217.A O no hydrogen 3.458 N/A ILE 222.A N ILE 218.A O no hydrogen 3.007 N/A GLU 223.A N LYS 219.A O no hydrogen 3.078 N/A ASP 224.A N GLU 220.A O no hydrogen 2.920 N/A GLU 225.A N ILE 222.A O no hydrogen 3.131 N/A GLU 226.A N GLU 221.A O no hydrogen 2.886 N/A LYS 227.A N GLU 221.A O no hydrogen 3.159 N/A THR 228.A N ASP 231.A OD2 no hydrogen 3.364 N/A TYR 232.A N ILE 229.A O no hydrogen 2.923 N/A ASP 234.A N ILE 200.A O no hydrogen 2.877 N/A LYS 236.A N ASP 234.A OD1 no hydrogen 3.111 N/A LYS 236.A NZ ASP 234.A OD1 no hydrogen 2.940 N/A SER 242.A OG GLU 230.A OE1 no hydrogen 3.168 N/A SER 242.A OG GLU 230.A OE2 no hydrogen 3.233 N/A SER 244.A N ASP 241.A OD2 no hydrogen 3.158 N/A SER 244.A OG ASP 241.A O no hydrogen 3.434 N/A SER 244.A OG ASP 241.A OD1 no hydrogen 2.676 N/A VAL 245.A N ASP 241.A O no hydrogen 3.151 N/A GLU 246.A N SER 242.A O no hydrogen 2.960 N/A ALA 247.A N THR 243.A O no hydrogen 2.996 N/A MET 248.A N SER 244.A O no hydrogen 2.953 N/A TYR 249.A N VAL 245.A O no hydrogen 2.895 N/A SER 250.A N GLU 246.A O no hydrogen 2.888 N/A VAL 251.A N ALA 247.A O no hydrogen 3.312 N/A ALA 252.A N MET 248.A O no hydrogen 3.003 N/A SER 253.A N TYR 249.A O no hydrogen 2.794 N/A GLN 254.A N SER 250.A O no hydrogen 3.099 N/A CYS 255.A N VAL 251.A O no hydrogen 2.966 N/A CYS 255.A SG VAL 251.A O no hydrogen 3.233 N/A LEU 256.A N ALA 252.A O no hydrogen 2.975 N/A LYS 259.A N HIS 257.A ND1 no hydrogen 3.022 N/A LYS 260.A NZ GLU 182.A OE1 no hydrogen 2.832 N/A LYS 262.A N LYS 259.A O no hydrogen 3.103 N/A ARG 263.A N LYS 260.A O no hydrogen 3.434 N/A ARG 263.A NE HIS 257.A O no hydrogen 2.726 N/A ARG 263.A NH1 GLU 177.A OE1 no hydrogen 3.481 N/A ARG 263.A NH1 GLU 177.A OE2 no hydrogen 2.777 N/A ARG 263.A NH1 LYS 186.A O no hydrogen 2.867 N/A ARG 263.A NH2 GLU 177.A OE1 no hydrogen 2.807 N/A ARG 263.A NH2 HIS 257.A O no hydrogen 3.322 N/A ARG 263.A NH2 GLU 258.A O no hydrogen 3.288 N/A LYS 267.A NZ GLN 270.A OE1 no hydrogen 3.178 N/A LYS 268.A N ASP 265.A OD1 no hydrogen 3.116 N/A LYS 268.A NZ GLN 271.A OE1 no hydrogen 3.277 N/A VAL 269.A N ASP 265.A O no hydrogen 3.153 N/A GLN 270.A N ILE 266.A O no hydrogen 2.886 N/A GLN 270.A NE2 ASN 125.A OD1 no hydrogen 2.754 N/A GLN 271.A N LYS 267.A O no hydrogen 3.019 N/A LEU 272.A N LYS 268.A O no hydrogen 2.894 N/A LEU 273.A N VAL 269.A O no hydrogen 3.008 N/A GLN 274.A N GLN 270.A O no hydrogen 3.169 N/A GLU 275.A N GLN 271.A O no hydrogen 3.163 N/A MET 276.A N LEU 272.A O no hydrogen 3.158 N/A THR 277.A OG1 GLN 121.A OE1 no hydrogen 2.793 N/A THR 277.A OG1 GLN 274.A O no hydrogen 3.303 N/A