Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3c0s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 5.A N ALA 264.A O no hydrogen 3.083 N/A ARG 5.A NE ASP 265.A OD1 no hydrogen 2.887 N/A ARG 5.A NH2 ASP 265.A OD2 no hydrogen 2.927 N/A GLY 7.A N VAL 266.A O no hydrogen 3.009 N/A TYR 8.A OH ASN 51.A OD1 no hydrogen 2.653 N/A CYS 10.A N ARG 60.A O no hydrogen 2.621 N/A GLU 11.A N PRO 9.A O no hydrogen 2.847 N/A ASN 12.A N ALA 17.A O no hydrogen 2.781 N/A ASN 12.A ND2 TYR 8.A OH no hydrogen 3.153 N/A LEU 13.A N GLU 273.A OE1 no hydrogen 2.784 N/A THR 14.A N GLU 273.A OE2 no hydrogen 2.936 N/A THR 14.A OG1 GLU 273.A OE2 no hydrogen 2.602 N/A LEU 15.A N ASN 12.A OD1 no hydrogen 3.027 N/A ALA 17.A N ASN 12.A O no hydrogen 3.057 N/A THR 18.A N ASP 43.A OD2 no hydrogen 3.027 N/A THR 19.A N CYS 10.A O no hydrogen 2.917 N/A THR 19.A OG1 CYS 10.A O no hydrogen 2.628 N/A ASN 20.A N THR 18.A OG1 no hydrogen 2.831 N/A ARG 21.A N ASN 40.A OD1 no hydrogen 3.072 N/A ARG 21.A NH1 ASN 40.A OD1 no hydrogen 3.148 N/A ARG 21.A NH1 ASP 43.A OD2 no hydrogen 3.239 N/A ARG 21.A NH2 ASP 43.A OD2 no hydrogen 2.915 N/A ARG 24.A NH2 HIS 27.A NE2 no hydrogen 3.554 N/A HIS 27.A N ARG 24.A O no hydrogen 2.936 N/A LEU 28.A N LEU 25.A O no hydrogen 3.113 N/A THR 29.A N HIS 27.A O no hydrogen 2.753 N/A ARG 32.A N THR 29.A OG1 no hydrogen 3.029 N/A VAL 33.A N THR 29.A O no hydrogen 2.956 N/A ARG 34.A N GLU 30.A O no hydrogen 3.013 N/A ARG 34.A NE GLU 30.A OE1 no hydrogen 3.120 N/A ARG 34.A NE GLU 30.A OE2 no hydrogen 3.063 N/A ARG 34.A NH2 GLU 30.A OE2 no hydrogen 3.552 N/A GLU 35.A N GLU 31.A O no hydrogen 3.008 N/A LYS 36.A N ARG 32.A O no hydrogen 3.086 N/A ALA 37.A N VAL 33.A O no hydrogen 2.753 N/A ALA 38.A N ARG 34.A O no hydrogen 2.905 N/A GLU 39.A N GLU 35.A O no hydrogen 3.186 N/A ASN 40.A N LYS 36.A O no hydrogen 2.905 N/A ASN 40.A ND2 ARG 21.A O no hydrogen 3.373 N/A ASN 40.A ND2 LEU 65.A O no hydrogen 2.797 N/A LEU 41.A N ALA 37.A O no hydrogen 2.778 N/A ARG 42.A N ALA 38.A O no hydrogen 2.813 N/A ARG 42.A NE GLU 39.A O no hydrogen 3.620 N/A ASP 43.A N GLU 39.A O no hydrogen 2.895 N/A LEU 44.A N ASN 40.A O no hydrogen 2.692 N/A GLU 45.A N LEU 41.A O no hydrogen 3.063 N/A ARG 46.A N ARG 42.A O no hydrogen 3.008 N/A ILE 47.A N ASP 43.A O no hydrogen 2.920 N/A LEU 48.A N LEU 44.A O no hydrogen 3.007 N/A ARG 49.A N GLU 45.A O no hydrogen 3.154 N/A ARG 49.A NE GLU 45.A OE2 no hydrogen 3.440 N/A ARG 49.A NH2 GLU 45.A OE2 no hydrogen 2.922 N/A PHE 50.A N ARG 46.A O no hydrogen 2.794 N/A ASN 51.A N ILE 47.A O no hydrogen 2.854 N/A ALA 52.A N LEU 48.A O no hydrogen 3.091 N/A ASP 53.A N ARG 49.A O no hydrogen 3.252 N/A ASP 53.A N PHE 50.A O no hydrogen 3.174 N/A HIS 54.A N ASN 51.A O no hydrogen 3.334 N/A PHE 56.A N ASN 51.A O no hydrogen 3.024 N/A ALA 57.A N LEU 6.A O no hydrogen 2.811 N/A LEU 58.A N LEU 6.A O no hydrogen 3.146 N/A PHE 59.A N ARG 99.A O no hydrogen 3.006 N/A ARG 60.A N TYR 8.A O no hydrogen 3.474 N/A ARG 60.A NH1 GLU 268.A OE2 no hydrogen 3.426 N/A ARG 60.A NH2 GLU 268.A OE2 no hydrogen 2.975 N/A ILE 61.A N SER 101.A O no hydrogen 2.888 N/A GLY 62.A N THR 19.A OG1 no hydrogen 2.998 N/A GLN 63.A NE2 GLU 123.A OE2 no hydrogen 2.868 N/A GLN 63.A NE2 SER 127.A OG no hydrogen 2.790 N/A HIS 64.A N ASN 20.A OD1 no hydrogen 3.003 N/A HIS 64.A ND1 ASN 20.A O no hydrogen 3.209 N/A LEU 65.A N GLY 62.A O no hydrogen 3.149 N/A ILE 66.A N TYR 126.A OH no hydrogen 3.396 N/A ALA 69.A N ILE 66.A O no hydrogen 3.119 N/A SER 70.A OG GLU 123.A OE1 no hydrogen 2.569 N/A HIS 71.A N PHE 68.A O no hydrogen 2.996 N/A LEU 73.A N HIS 71.A ND1 no hydrogen 2.970 N/A PHE 74.A N HIS 71.A O no hydrogen 3.009 N/A TYR 76.A OH TYR 82.A OH no hydrogen 2.685 N/A GLY 80.A N ASP 77.A OD1 no hydrogen 3.420 N/A ALA 81.A N ASP 77.A O no hydrogen 3.283 N/A TYR 82.A N TRP 78.A O no hydrogen 2.990 N/A TYR 82.A N GLU 79.A O no hydrogen 3.365 N/A TYR 82.A OH TYR 76.A OH no hydrogen 2.685 N/A GLU 83.A N GLU 79.A O no hydrogen 2.857 N/A LEU 86.A N TYR 82.A O no hydrogen 2.901 N/A ALA 87.A N GLU 83.A O no hydrogen 2.972 N/A ARG 88.A N GLU 84.A O no hydrogen 3.143 N/A ARG 88.A NH1 GLU 45.A OE2 no hydrogen 3.391 N/A ARG 88.A NH2 GLU 45.A OE1 no hydrogen 2.759 N/A ARG 88.A NH2 GLU 45.A OE2 no hydrogen 3.483 N/A LEU 89.A N GLU 85.A O no hydrogen 2.875 N/A GLY 90.A N LEU 86.A O no hydrogen 2.671 N/A ALA 91.A N ALA 87.A O no hydrogen 2.899 N/A ALA 91.A N ARG 88.A O no hydrogen 3.163 N/A LEU 92.A N ARG 88.A O no hydrogen 3.099 N/A ALA 93.A N LEU 89.A O no hydrogen 3.061 N/A ARG 94.A N GLY 90.A O no hydrogen 3.049 N/A ARG 94.A NH1 GLY 135.A O no hydrogen 3.217 N/A ALA 95.A N ALA 91.A O no hydrogen 2.807 N/A PHE 96.A N LEU 92.A O no hydrogen 2.788 N/A GLY 97.A N ARG 94.A O no hydrogen 2.941 N/A GLN 98.A N ALA 93.A O no hydrogen 2.658 N/A GLN 98.A NE2 LEU 48.A O no hydrogen 3.081 N/A ARG 99.A N ALA 57.A O no hydrogen 2.761 N/A ARG 99.A NE ASP 138.A O no hydrogen 2.946 N/A ARG 99.A NH1 ARG 228.A O no hydrogen 2.744 N/A ARG 99.A NH1 ASP 265.A OD2 no hydrogen 2.730 N/A ARG 99.A NH2 ARG 228.A O no hydrogen 3.025 N/A SER 101.A N PHE 59.A O no hydrogen 3.089 N/A SER 101.A OG PHE 59.A O no hydrogen 3.505 N/A HIS 102.A ND1 PRO 103.A O no hydrogen 3.168 N/A HIS 102.A NE2 GLU 176.A OE1 no hydrogen 2.881 N/A VAL 107.A N GLY 104.A O no hydrogen 3.103 N/A ASN 108.A N SER 120.A OG no hydrogen 2.753 N/A SER 111.A N ASN 108.A O no hydrogen 3.137 N/A ASP 113.A N SER 111.A OG no hydrogen 3.091 N/A GLU 115.A N GLU 115.A OE1 no hydrogen 2.925 N/A VAL 117.A N ASP 113.A O no hydrogen 2.964 N/A GLU 118.A N PRO 114.A O no hydrogen 2.945 N/A ARG 119.A N GLU 115.A O no hydrogen 2.957 N/A SER 120.A N VAL 116.A O no hydrogen 2.892 N/A SER 120.A OG TYR 106.A O no hydrogen 3.417 N/A SER 120.A OG VAL 116.A O no hydrogen 2.915 N/A LEU 121.A N VAL 117.A O no hydrogen 2.760 N/A ALA 122.A N GLU 118.A O no hydrogen 2.979 N/A GLU 123.A N ARG 119.A O no hydrogen 3.074 N/A LEU 124.A N SER 120.A O no hydrogen 2.970 N/A ARG 125.A N LEU 121.A O no hydrogen 2.798 N/A ARG 125.A NE GLU 166.A OE1 no hydrogen 3.095 N/A ARG 125.A NH2 GLU 166.A OE2 no hydrogen 2.918 N/A TYR 126.A N ALA 122.A O no hydrogen 3.029 N/A TYR 126.A OH GLN 63.A O no hydrogen 2.716 N/A SER 127.A N GLU 123.A O no hydrogen 3.047 N/A SER 127.A OG GLU 123.A O no hydrogen 3.025 N/A ALA 128.A N LEU 124.A O no hydrogen 2.918 N/A ARG 129.A N ARG 125.A O no hydrogen 2.884 N/A ARG 129.A NE GLU 168.A OE1 no hydrogen 3.280 N/A ARG 129.A NE GLU 168.A OE2 no hydrogen 2.998 N/A ARG 129.A NH1 GLU 79.A OE1 no hydrogen 2.883 N/A ARG 129.A NH2 GLU 168.A OE1 no hydrogen 2.810 N/A LEU 130.A N TYR 126.A O no hydrogen 2.867 N/A LEU 131.A N SER 127.A O no hydrogen 3.051 N/A SER 132.A N ALA 128.A O no hydrogen 2.925 N/A SER 132.A OG ALA 128.A O no hydrogen 3.287 N/A SER 132.A OG GLU 168.A OE2 no hydrogen 2.866 N/A SER 132.A OG TYR 172.A OH no hydrogen 2.698 N/A LEU 133.A N ARG 129.A O no hydrogen 2.925 N/A LEU 133.A N LEU 130.A O no hydrogen 3.136 N/A LEU 134.A N LEU 130.A O no hydrogen 2.991 N/A GLY 135.A N SER 132.A O no hydrogen 3.069 N/A ALA 136.A N LEU 131.A O no hydrogen 3.030 N/A GLY 139.A N ALA 136.A O no hydrogen 2.959 N/A VAL 140.A N LEU 100.A O no hydrogen 3.216 N/A LEU 141.A N TYR 172.A O no hydrogen 2.953 N/A LEU 143.A N ALA 174.A O no hydrogen 3.080 N/A GLU 151.A N ALA 148.A O no hydrogen 2.984 N/A LYS 152.A NZ LEU 181.A O no hydrogen 2.676 N/A LYS 152.A NZ GLU 186.A OE1 no hydrogen 3.523 N/A LYS 152.A NZ GLU 186.A OE2 no hydrogen 2.636 N/A ALA 155.A N GLU 151.A O no hydrogen 2.883 N/A LEU 156.A N LYS 152.A O no hydrogen 2.740 N/A ARG 157.A N GLY 153.A O no hydrogen 3.079 N/A ARG 158.A N LYS 154.A O no hydrogen 3.080 N/A ARG 158.A NE GLY 110.A O no hydrogen 2.750 N/A ARG 158.A NH2 GLY 110.A O no hydrogen 3.289 N/A PHE 159.A N ALA 155.A O no hydrogen 3.097 N/A VAL 160.A N LEU 156.A O no hydrogen 3.043 N/A GLU 161.A N ARG 157.A O no hydrogen 2.965 N/A ASN 162.A N ARG 158.A O no hydrogen 2.867 N/A ASN 162.A ND2 PRO 109.A O no hydrogen 2.499 N/A LEU 163.A N VAL 160.A O no hydrogen 3.229 N/A ARG 164.A N VAL 160.A O no hydrogen 2.863 N/A ARG 164.A NE GLU 161.A OE2 no hydrogen 3.071 N/A ARG 164.A NH2 GLU 161.A OE2 no hydrogen 2.370 N/A GLU 166.A N LEU 163.A O no hydrogen 3.023 N/A GLU 167.A N GLY 165.A O no hydrogen 3.036 N/A LEU 170.A N GLU 166.A O no hydrogen 2.963 N/A ARG 171.A N GLU 168.A O no hydrogen 3.130 N/A TYR 172.A N VAL 169.A O no hydrogen 2.995 N/A TYR 172.A OH SER 132.A OG no hydrogen 2.698 N/A LEU 173.A N VAL 169.A O no hydrogen 2.973 N/A ALA 174.A N LEU 141.A O no hydrogen 2.915 N/A LEU 175.A N PRO 197.A O no hydrogen 3.106 N/A GLU 176.A N LEU 143.A O no hydrogen 2.943 N/A ASN 177.A ND2 ASP 201.A O no hydrogen 3.250 N/A ASP 178.A N TRP 182.A O no hydrogen 2.883 N/A GLU 179.A N GLU 179.A OE2 no hydrogen 2.844 N/A ARG 180.A N ASP 178.A OD2 no hydrogen 2.921 N/A LEU 181.A N ASP 178.A OD2 no hydrogen 2.762 N/A TRP 182.A N ASP 178.A OD1 no hydrogen 3.073 N/A TRP 182.A NE1 GLY 146.A O no hydrogen 3.020 N/A ASN 183.A N GLU 186.A OE1 no hydrogen 2.882 N/A GLU 186.A N ASN 183.A OD1 no hydrogen 2.822 N/A VAL 187.A N ASN 183.A O no hydrogen 3.050 N/A LEU 188.A N VAL 184.A O no hydrogen 2.929 N/A LYS 189.A N GLU 185.A O no hydrogen 3.427 N/A ALA 190.A N GLU 186.A O no hydrogen 3.203 N/A ALA 191.A N VAL 187.A O no hydrogen 2.700 N/A GLU 192.A N LEU 188.A O no hydrogen 2.954 N/A ALA 193.A N LYS 189.A O no hydrogen 3.121 N/A LEU 194.A N ALA 190.A O no hydrogen 3.126 N/A GLY 195.A N GLU 192.A O no hydrogen 3.274 N/A VAL 196.A N ALA 191.A O no hydrogen 2.980 N/A VAL 198.A N THR 224.A OG1 no hydrogen 2.950 N/A VAL 199.A N LEU 175.A O no hydrogen 2.858 N/A ASP 201.A N ASN 177.A OD1 no hydrogen 2.958 N/A THR 202.A N HIS 231.A O no hydrogen 3.017 N/A THR 202.A OG1 HIS 231.A O no hydrogen 3.372 N/A HIS 204.A N ASP 201.A OD1 no hydrogen 2.983 N/A HIS 204.A ND1 ASN 177.A O no hydrogen 2.884 N/A HIS 205.A N ASP 201.A O no hydrogen 2.759 N/A ALA 206.A N THR 202.A O no hydrogen 2.890 N/A LEU 207.A N LEU 203.A O no hydrogen 3.050 N/A ASN 208.A N HIS 205.A O no hydrogen 3.048 N/A ASN 208.A ND2 ASP 178.A O no hydrogen 2.946 N/A ARG 211.A N GLU 185.A OE2 no hydrogen 2.966 N/A ARG 211.A NE GLU 185.A OE1 no hydrogen 2.910 N/A ARG 211.A NH2 GLU 185.A OE1 no hydrogen 3.127 N/A LEU 212.A N PRO 209.A O no hydrogen 3.302 N/A GLU 215.A N GLU 215.A OE1 no hydrogen 2.766 N/A ALA 217.A N PRO 213.A O no hydrogen 3.052 N/A LEU 218.A N LEU 214.A O no hydrogen 2.918 N/A ARG 219.A N GLU 215.A O no hydrogen 3.042 N/A ARG 219.A NE GLU 216.A OE1 no hydrogen 2.796 N/A ARG 219.A NE GLU 216.A OE2 no hydrogen 3.321 N/A ARG 219.A NH2 GLU 216.A OE2 no hydrogen 2.692 N/A LEU 220.A N GLU 216.A O no hydrogen 2.856 N/A ALA 221.A N ALA 217.A O no hydrogen 2.891 N/A PHE 222.A N LEU 218.A O no hydrogen 2.991 N/A THR 224.A N ALA 221.A O no hydrogen 2.976 N/A THR 224.A OG1 ALA 221.A O no hydrogen 2.553 N/A TRP 225.A N PHE 222.A O no hydrogen 3.219 N/A TRP 225.A NE1 VAL 198.A O no hydrogen 2.878 N/A ARG 228.A NE ASP 265.A OD1 no hydrogen 2.746 N/A ARG 228.A NE ASP 265.A OD2 no hydrogen 3.413 N/A ARG 228.A NH2 ALA 264.A O no hydrogen 3.020 N/A ARG 228.A NH2 ASP 265.A OD1 no hydrogen 2.863 N/A HIS 231.A N VAL 200.A O no hydrogen 2.804 N/A SER 234.A OG ASP 252.A OD2 no hydrogen 2.494 N/A GLN 235.A NE2 ASP 236.A O no hydrogen 2.840 N/A GLN 235.A NE2 ARG 240.A O no hydrogen 3.001 N/A ASP 236.A N ALA 243.A O no hydrogen 2.945 N/A LYS 239.A N ASP 236.A O no hydrogen 3.118 N/A GLY 242.A N GLN 235.A OE1 no hydrogen 2.778 N/A ALA 243.A N ARG 240.A O no hydrogen 2.948 N/A ALA 245.A N SER 234.A O no hydrogen 2.788 N/A VAL 248.A N GLY 275.A O no hydrogen 2.683 N/A THR 249.A N SER 234.A OG no hydrogen 2.963 N/A ASP 252.A N THR 249.A OG1 no hydrogen 2.957 N/A TRP 253.A N THR 249.A O no hydrogen 2.938 N/A GLU 254.A N ARG 250.A O no hydrogen 2.943 N/A ARG 255.A N GLU 251.A O no hydrogen 3.059 N/A LEU 256.A N ASP 252.A O no hydrogen 3.197 N/A LEU 257.A N TRP 253.A O no hydrogen 2.931 N/A SER 258.A N GLU 254.A O no hydrogen 2.942 N/A SER 258.A OG GLU 254.A O no hydrogen 3.175 N/A ALA 259.A N ARG 255.A O no hydrogen 3.123 N/A ALA 259.A N LEU 256.A O no hydrogen 3.110 N/A ASP 265.A N PRO 229.A O no hydrogen 2.890 N/A VAL 266.A N ARG 5.A O no hydrogen 2.733 N/A GLU 268.A N LEU 232.A O no hydrogen 2.808 N/A LYS 270.A N ALA 245.A O no hydrogen 3.056 N/A LYS 270.A NZ ASP 236.A OD2 no hydrogen 2.780 N/A LYS 270.A NZ HIS 244.A O no hydrogen 2.721 N/A GLY 271.A N PHE 246.A O no hydrogen 2.860 N/A LYS 272.A N ALA 269.A O no hydrogen 3.096 N/A LYS 272.A NZ PRO 9.A O no hydrogen 3.048 N/A GLU 273.A N GLU 273.A OE1 no hydrogen 2.819 N/A GLN 274.A N GLY 271.A O no hydrogen 2.811 N/A GLY 275.A N LYS 272.A O no hydrogen 2.998 N/A