Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8siw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N TRP 6.A O no hydrogen 3.169 N/A TRP 6.A N VAL 3.A O no hydrogen 3.198 N/A LEU 8.A N PRO 1.A O no hydrogen 3.276 N/A VAL 9.A N LEU 22.A O no hydrogen 2.930 N/A THR 11.A OG1 GLU 19.A OE1 no hydrogen 3.526 N/A LEU 12.A N VAL 20.A O no hydrogen 2.873 N/A GLY 13.A N VAL 20.A O no hydrogen 3.419 N/A GLY 15.A N GLY 18.A O no hydrogen 3.386 N/A GLU 19.A N ILE 36.A O no hydrogen 3.405 N/A VAL 20.A N GLY 13.A O no hydrogen 2.872 N/A GLN 21.A N VAL 34.A O no hydrogen 2.836 N/A GLN 21.A NE2 THR 11.A OG1 no hydrogen 2.460 N/A LEU 22.A N GLN 10.A O no hydrogen 2.837 N/A ALA 23.A N VAL 32.A O no hydrogen 2.884 N/A ASN 25.A N GLU 30.A O no hydrogen 3.400 N/A ARG 26.A N ASP 5.A O no hydrogen 3.242 N/A ARG 26.A NE ASP 7.A OD1 no hydrogen 3.142 N/A GLU 29.A N ASN 25.A O no hydrogen 2.910 N/A VAL 32.A N ALA 23.A O no hydrogen 3.248 N/A ALA 33.A N MET 75.A O no hydrogen 2.803 N/A VAL 34.A N GLN 21.A O no hydrogen 2.762 N/A LYS 35.A N LEU 73.A O no hydrogen 2.890 N/A LYS 35.A NZ GLU 46.A OE1 no hydrogen 3.427 N/A LYS 35.A NZ GLU 46.A OE2 no hydrogen 2.743 N/A LYS 35.A NZ ASP 139.A OD1 no hydrogen 3.310 N/A ILE 36.A N GLU 19.A O no hydrogen 2.878 N/A VAL 37.A N GLN 71.A O no hydrogen 3.012 N/A MET 39.A N ASN 69.A O no hydrogen 3.033 N/A ILE 43.A N PRO 40.A O no hydrogen 3.384 N/A LYS 45.A N GLU 41.A O no hydrogen 3.303 N/A LYS 45.A NZ THR 144.A OG1 no hydrogen 2.756 N/A GLU 46.A N ASN 42.A O no hydrogen 3.007 N/A ILE 47.A N ILE 43.A O no hydrogen 3.137 N/A CYS 48.A N LYS 44.A O no hydrogen 3.101 N/A ILE 49.A N LYS 45.A O no hydrogen 2.966 N/A LEU 50.A N GLU 46.A O no hydrogen 2.916 N/A LYS 51.A N ILE 47.A O no hydrogen 3.179 N/A LYS 51.A N CYS 48.A O no hydrogen 2.998 N/A LEU 53.A N LEU 50.A O no hydrogen 3.275 N/A ASN 54.A N TYR 111.A OH no hydrogen 2.847 N/A GLU 56.A N GLU 56.A OE2 no hydrogen 2.843 N/A ASN 57.A N HIS 55.A ND1 no hydrogen 2.962 N/A ASN 57.A ND2 LEU 135.A O no hydrogen 2.919 N/A VAL 58.A N HIS 55.A O no hydrogen 3.275 N/A ILE 59.A N ILE 137.A O no hydrogen 3.111 N/A LYS 60.A N GLU 76.A OE2 no hydrogen 3.100 N/A TYR 62.A N PHE 74.A O no hydrogen 3.037 N/A ARG 65.A N TYR 72.A O no hydrogen 3.005 N/A ARG 65.A NH1 HIS 64.A O no hydrogen 3.156 N/A GLU 67.A N ILE 70.A O no hydrogen 2.905 N/A GLN 71.A N VAL 37.A O no hydrogen 2.848 N/A TYR 72.A N ARG 65.A O no hydrogen 3.120 N/A LEU 73.A N LYS 35.A O no hydrogen 2.949 N/A PHE 74.A N GLY 63.A O no hydrogen 2.998 N/A MET 75.A N ALA 33.A O no hydrogen 2.873 N/A GLU 76.A N LYS 60.A O no hydrogen 2.896 N/A GLY 80.A N LEU 129.A O no hydrogen 2.870 N/A GLY 81.A N ALA 78.A O no hydrogen 3.384 N/A LEU 83.A N LEU 127.A O no hydrogen 2.846 N/A ARG 86.A N LEU 83.A O no hydrogen 2.999 N/A ARG 86.A NH1 GLY 80.A O no hydrogen 3.259 N/A ARG 86.A NH1 ASP 133.A OD1 no hydrogen 2.727 N/A ARG 86.A NH2 ASP 133.A OD1 no hydrogen 3.166 N/A ARG 86.A NH2 ASP 133.A OD2 no hydrogen 3.432 N/A ILE 87.A N PHE 84.A O no hydrogen 3.315 N/A GLU 88.A N GLY 92.A O no hydrogen 2.912 N/A ASP 90.A N GLY 195.A O no hydrogen 2.973 N/A ILE 91.A N GLU 88.A O no hydrogen 3.106 N/A GLY 92.A N GLU 88.A O no hydrogen 2.770 N/A ASP 97.A N PRO 94.A O no hydrogen 2.892 N/A ALA 98.A N PRO 94.A O no hydrogen 3.187 N/A GLN 99.A N GLU 95.A O no hydrogen 2.912 N/A GLN 99.A NE2 TRP 255.A O no hydrogen 2.796 N/A GLN 99.A NE2 LYS 258.A O no hydrogen 2.797 N/A ARG 100.A N PRO 96.A O no hydrogen 3.239 N/A ARG 100.A NH1 ASP 133.A O no hydrogen 3.234 N/A ARG 100.A NH2 ASP 133.A O no hydrogen 2.775 N/A PHE 101.A N ASP 97.A O no hydrogen 2.953 N/A PHE 102.A N ALA 98.A O no hydrogen 2.816 N/A HIS 103.A N GLN 99.A O no hydrogen 2.816 N/A HIS 103.A NE2 TYR 256.A O no hydrogen 2.672 N/A GLN 104.A N ARG 100.A O no hydrogen 3.066 N/A LEU 105.A N PHE 101.A O no hydrogen 2.933 N/A MET 106.A N PHE 102.A O no hydrogen 2.971 N/A ALA 107.A N HIS 103.A O no hydrogen 2.962 N/A GLY 108.A N GLN 104.A O no hydrogen 3.198 N/A VAL 109.A N LEU 105.A O no hydrogen 2.909 N/A VAL 110.A N MET 106.A O no hydrogen 2.853 N/A TYR 111.A N ALA 107.A O no hydrogen 3.283 N/A TYR 111.A OH MET 52.A O no hydrogen 3.216 N/A LEU 112.A N GLY 108.A O no hydrogen 3.107 N/A HIS 113.A N VAL 109.A O no hydrogen 2.868 N/A HIS 113.A NE2 ASP 181.A OD2 no hydrogen 2.794 N/A GLY 114.A N VAL 110.A O no hydrogen 2.859 N/A ILE 115.A N TYR 111.A O no hydrogen 3.022 N/A ILE 115.A N LEU 112.A O no hydrogen 3.150 N/A GLY 116.A N HIS 113.A O no hydrogen 3.210 N/A ILE 117.A N LEU 112.A O no hydrogen 2.897 N/A THR 118.A N THR 144.A O no hydrogen 2.973 N/A THR 118.A OG1 ASP 181.A OD1 no hydrogen 3.295 N/A THR 118.A OG1 ASP 181.A OD2 no hydrogen 2.989 N/A HIS 119.A N ASP 181.A OD2 no hydrogen 3.342 N/A HIS 119.A NE2 ALA 138.A O no hydrogen 2.738 N/A ARG 120.A N ASP 181.A OD1 no hydrogen 3.317 N/A ARG 120.A NE LEU 142.A O no hydrogen 2.716 N/A ARG 120.A NH2 LEU 142.A O no hydrogen 3.157 N/A ASP 121.A N HIS 119.A ND1 no hydrogen 3.095 N/A LYS 123.A NZ THR 161.A OG1 no hydrogen 2.899 N/A ASN 126.A N LYS 123.A O no hydrogen 2.994 N/A ASN 126.A ND2 ASP 121.A O no hydrogen 2.700 N/A LEU 127.A N PRO 124.A O no hydrogen 3.215 N/A LEU 128.A N LYS 136.A O no hydrogen 2.916 N/A LEU 129.A N GLY 81.A O no hydrogen 2.901 N/A ASP 130.A N ASN 134.A O no hydrogen 2.957 N/A ARG 132.A N ASP 130.A OD1 no hydrogen 2.869 N/A ASP 133.A N ASP 130.A O no hydrogen 3.235 N/A ASN 134.A N ASP 130.A OD1 no hydrogen 2.951 N/A LEU 135.A N GLN 104.A OE1 no hydrogen 2.828 N/A LYS 136.A N LEU 128.A O no hydrogen 2.777 N/A LYS 136.A NZ GLU 56.A O no hydrogen 2.884 N/A LYS 136.A NZ GLU 76.A OE1 no hydrogen 3.539 N/A ILE 137.A N ASN 57.A O no hydrogen 2.879 N/A ALA 138.A N ASN 126.A O no hydrogen 2.866 N/A TYR 140.A OH ILE 137.A O no hydrogen 2.902 N/A SER 141.A N ASP 139.A OD1 no hydrogen 3.454 N/A SER 141.A OG ASP 139.A OD1 no hydrogen 2.646 N/A ALA 143.A N TYR 140.A O no hydrogen 3.200 N/A THR 144.A N THR 118.A O no hydrogen 3.150 N/A PHE 146.A N GLY 116.A O no hydrogen 2.769 N/A ARG 147.A N GLY 116.A O no hydrogen 3.403 N/A ARG 147.A NH1 HIS 113.A O no hydrogen 2.791 N/A ARG 147.A NH2 HIS 113.A O no hydrogen 3.302 N/A TYR 148.A N ARG 151.A O no hydrogen 3.053 N/A ARG 151.A N TYR 148.A O no hydrogen 3.043 N/A ARG 153.A N PHE 146.A O no hydrogen 2.791 N/A LEU 155.A N PHE 175.A O no hydrogen 2.889 N/A THR 161.A OG1 ASP 121.A OD1 no hydrogen 2.850 N/A TYR 164.A N THR 161.A O no hydrogen 2.931 N/A VAL 165.A N THR 161.A O no hydrogen 3.171 N/A VAL 165.A N LEU 162.A O no hydrogen 3.382 N/A GLU 168.A N GLU 168.A OE2 no hydrogen 2.812 N/A LEU 169.A N ALA 166.A O no hydrogen 3.275 N/A LEU 170.A N PRO 167.A O no hydrogen 3.147 N/A LYS 171.A NZ ASP 204.A OD1 no hydrogen 3.424 N/A LYS 171.A NZ GLU 239.A OE2 no hydrogen 3.359 N/A ARG 172.A N GLU 168.A O no hydrogen 3.013 N/A PHE 175.A N LEU 155.A O no hydrogen 2.911 N/A HIS 176.A ND1 GLU 152.A OE1 no hydrogen 2.917 N/A HIS 176.A ND1 GLU 152.A OE2 no hydrogen 3.043 N/A ASP 181.A N ALA 177.A O no hydrogen 3.353 N/A VAL 182.A N GLU 178.A O no hydrogen 2.973 N/A TRP 183.A N PRO 179.A O no hydrogen 2.906 N/A SER 184.A N VAL 180.A O no hydrogen 3.173 N/A SER 184.A OG VAL 180.A O no hydrogen 3.265 N/A SER 184.A OG ASP 181.A O no hydrogen 2.906 N/A CYS 185.A N ASP 181.A O no hydrogen 3.211 N/A CYS 185.A SG ASP 181.A O no hydrogen 3.210 N/A GLY 186.A N VAL 182.A O no hydrogen 3.173 N/A ILE 187.A N TRP 183.A O no hydrogen 3.128 N/A VAL 188.A N SER 184.A O no hydrogen 3.003 N/A LEU 189.A N CYS 185.A O no hydrogen 2.888 N/A THR 190.A N GLY 186.A O no hydrogen 2.875 N/A THR 190.A OG1 GLY 186.A O no hydrogen 2.826 N/A ALA 191.A N ILE 187.A O no hydrogen 2.945 N/A MET 192.A N VAL 188.A O no hydrogen 2.914 N/A LEU 193.A N LEU 189.A O no hydrogen 3.055 N/A ALA 194.A N THR 190.A O no hydrogen 3.074 N/A GLY 195.A N ALA 191.A O no hydrogen 2.774 N/A SER 203.A N GLN 201.A O no hydrogen 2.963 N/A SER 203.A OG SER 205.A OG no hydrogen 2.809 N/A SER 205.A OG SER 203.A OG no hydrogen 2.809 N/A CYS 206.A N SER 203.A O no hydrogen 3.017 N/A CYS 206.A SG GLN 201.A O no hydrogen 3.490 N/A CYS 206.A SG GLU 208.A OE1 no hydrogen 3.918 N/A TYR 209.A N CYS 206.A O no hydrogen 3.055 N/A TYR 209.A OH GLU 239.A OE2 no hydrogen 2.923 N/A SER 210.A N CYS 206.A O no hydrogen 3.048 N/A ASP 211.A N GLN 207.A O no hydrogen 2.893 N/A TRP 212.A N GLU 208.A O no hydrogen 3.369 N/A TRP 212.A NE1 LEU 237.A O no hydrogen 2.941 N/A LYS 213.A N TYR 209.A O no hydrogen 3.180 N/A LYS 213.A NZ ASP 204.A OD1 no hydrogen 3.132 N/A LYS 213.A NZ GLU 239.A OE2 no hydrogen 3.350 N/A GLU 214.A N SER 210.A O no hydrogen 3.002 N/A LYS 215.A N TRP 212.A O no hydrogen 3.094 N/A LYS 215.A NZ LYS 213.A O no hydrogen 3.428 N/A LYS 216.A N ASP 211.A O no hydrogen 2.941 N/A LYS 216.A NZ GLU 214.A OE2 no hydrogen 3.223 N/A THR 217.A N LYS 215.A O no hydrogen 2.879 N/A LEU 219.A N LYS 216.A O no hydrogen 3.293 N/A LYS 223.A N LEU 219.A O no hydrogen 3.096 N/A LYS 224.A N PRO 221.A O no hydrogen 3.128 N/A LYS 224.A NZ ASP 90.A O no hydrogen 2.950 N/A LYS 224.A NZ ASP 90.A OD1 no hydrogen 3.071 N/A LYS 224.A NZ ALA 194.A O no hydrogen 2.979 N/A LYS 224.A NZ GLU 196.A OE2 no hydrogen 2.801 N/A ILE 225.A N TRP 222.A O no hydrogen 3.129 N/A ALA 228.A N ASP 226.A OD2 no hydrogen 3.410 N/A LEU 230.A N ASP 226.A O no hydrogen 3.044 N/A ALA 231.A N SER 227.A O no hydrogen 3.027 N/A ALA 231.A N ALA 228.A O no hydrogen 3.105 N/A LEU 233.A N PRO 229.A O no hydrogen 2.977 N/A HIS 234.A N LEU 230.A O no hydrogen 2.946 N/A LYS 235.A N LEU 232.A O no hydrogen 2.889 N/A LYS 235.A NZ ASP 253.A OD1 no hydrogen 2.777 N/A ILE 236.A N LEU 232.A O no hydrogen 2.927 N/A LEU 237.A N LEU 233.A O no hydrogen 2.893 N/A SER 242.A OG ASN 240.A OD1 no hydrogen 3.392 N/A ALA 243.A N ASN 240.A O no hydrogen 3.124 N/A ARG 244.A NE VAL 238.A O no hydrogen 2.951 N/A ARG 244.A NH1 GLU 168.A OE1 no hydrogen 3.569 N/A ARG 244.A NH1 GLU 168.A OE2 no hydrogen 2.710 N/A ARG 244.A NH1 VAL 238.A O no hydrogen 3.062 N/A ARG 244.A NH1 GLU 239.A O no hydrogen 3.023 N/A ARG 244.A NH2 GLU 168.A OE1 no hydrogen 2.779 N/A ARG 244.A NH2 GLU 168.A OE2 no hydrogen 3.472 N/A ARG 244.A NH2 PRO 179.A O no hydrogen 2.933 N/A ILE 245.A N LYS 235.A O no hydrogen 3.172 N/A ASP 249.A N THR 246.A O no hydrogen 3.131 N/A ILE 250.A N THR 246.A O no hydrogen 2.941 N/A LYS 251.A N ILE 247.A O no hydrogen 3.026 N/A LYS 252.A N ASP 249.A O no hydrogen 3.181 N/A LYS 252.A NZ ASP 249.A OD1 no hydrogen 2.722 N/A ASP 253.A N ILE 250.A O no hydrogen 2.959 N/A TRP 255.A NE1 GLU 95.A OE1 no hydrogen 3.136 N/A TYR 256.A N ASP 253.A OD2 no hydrogen 2.902 N/A ASN 257.A N ASP 253.A O no hydrogen 3.150 N/A ASN 257.A ND2 LYS 251.A O no hydrogen 2.932 N/A ASN 257.A ND2 ASP 253.A O no hydrogen 2.877 N/A LYS 258.A N TRP 255.A O no hydrogen 3.001 N/A