Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8tsh_E.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A N THR 1.A OG1 no hydrogen 3.263 N/A LEU 5.A N THR 1.A O no hydrogen 2.808 N/A GLN 6.A N ALA 2.A O no hydrogen 2.907 N/A TRP 7.A N LYS 3.A O no hydrogen 2.909 N/A ALA 8.A N ARG 4.A O no hydrogen 2.886 N/A LEU 9.A N LEU 5.A O no hydrogen 2.900 N/A VAL 10.A N GLN 6.A O no hydrogen 2.921 N/A TYR 11.A N TRP 7.A O no hydrogen 2.885 N/A MET 14.A N VAL 10.A O no hydrogen 3.158 N/A LEU 15.A N TYR 11.A O no hydrogen 2.654 N/A VAL 16.A N LEU 12.A O no hydrogen 2.959 N/A ALA 17.A N PRO 13.A O no hydrogen 2.910 N/A THR 18.A N MET 14.A O no hydrogen 2.862 N/A THR 18.A OG1 MET 14.A O no hydrogen 2.673 N/A VAL 19.A N LEU 15.A O no hydrogen 2.933 N/A TYR 20.A N VAL 16.A O no hydrogen 2.938 N/A TYR 20.A OH ASP 79.A OD1 no hydrogen 2.829 N/A PHE 21.A N ALA 17.A O no hydrogen 2.893 N/A LEU 22.A N THR 18.A O no hydrogen 2.936 N/A VAL 23.A N VAL 19.A O no hydrogen 2.920 N/A PHE 24.A N TYR 20.A O no hydrogen 2.905 N/A SER 25.A N TYR 20.A O no hydrogen 2.721 N/A SER 25.A OG TYR 20.A O no hydrogen 2.660 N/A ALA 26.A N ASP 79.A OD2 no hydrogen 3.102 N/A ARG 28.A N TYR 225.A O no hydrogen 2.932 N/A ARG 28.A NE GLN 117.A OE1 no hydrogen 3.050 N/A TYR 29.A N GLY 118.A O no hydrogen 2.895 N/A SER 31.A N VAL 116.A O no hydrogen 2.907 N/A SER 31.A OG VAL 218.A O no hydrogen 3.296 N/A SER 33.A N VAL 114.A O no hydrogen 2.926 N/A SER 33.A OG ASN 128.A OD1 no hydrogen 3.135 N/A VAL 34.A N GLU 215.A O no hydrogen 2.932 N/A ILE 35.A N LEU 112.A O no hydrogen 2.894 N/A THR 36.A N VAL 212.A O no hydrogen 3.160 N/A THR 36.A OG1 GLY 110.A O no hydrogen 3.303 N/A ARG 38.A N SER 210.A O no hydrogen 3.098 N/A GLN 39.A NE2 LEU 208.A O no hydrogen 2.470 N/A THR 40.A N LEU 208.A O no hydrogen 3.117 N/A THR 40.A OG1 THR 40.A O no hydrogen 2.351 N/A THR 40.A OG1 LYS 207.A O no hydrogen 3.224 N/A THR 40.A OG1 LEU 208.A O no hydrogen 3.094 N/A SER 41.A N GLN 39.A O no hydrogen 3.070 N/A ARG 44.A NH2 ASP 107.A O no hydrogen 3.475 N/A ASP 46.A N ALA 42.A O no hydrogen 3.264 N/A THR 47.A N SER 43.A O no hydrogen 2.905 N/A THR 47.A OG1 SER 43.A O no hydrogen 2.680 N/A CYS 48.A N ARG 44.A O no hydrogen 2.905 N/A TYR 49.A N GLU 45.A O no hydrogen 2.902 N/A LEU 50.A N ASP 46.A O no hydrogen 2.916 N/A GLN 51.A N THR 47.A O no hydrogen 2.867 N/A THR 52.A N CYS 48.A O no hydrogen 2.950 N/A THR 52.A OG1 CYS 48.A O no hydrogen 3.473 N/A TYR 53.A N TYR 49.A O no hydrogen 2.856 N/A ILE 54.A N LEU 50.A O no hydrogen 2.986 N/A HIS 55.A NE2 VAL 101.A O no hydrogen 2.996 N/A SER 56.A N TYR 53.A O no hydrogen 3.097 N/A SER 56.A OG TYR 53.A O no hydrogen 2.346 N/A GLN 61.A N MET 57.A O no hydrogen 2.912 N/A LYS 62.A N GLY 58.A O no hydrogen 2.959 N/A LEU 63.A N LEU 59.A O no hydrogen 2.880 N/A ASP 64.A N LEU 60.A O no hydrogen 2.888 N/A GLN 65.A N GLN 61.A O no hydrogen 2.913 N/A GLN 66.A N LYS 62.A O no hydrogen 2.941 N/A LEU 67.A N LEU 63.A O no hydrogen 2.866 N/A LYS 68.A N ASP 64.A O no hydrogen 3.122 N/A LYS 68.A NZ GLN 65.A O no hydrogen 2.450 N/A ARG 70.A NH1 THR 88.A OG1 no hydrogen 2.752 N/A ARG 70.A NH2 THR 88.A O no hydrogen 3.233 N/A GLU 71.A N GLU 71.A OE1 no hydrogen 2.735 N/A HIS 72.A N LYS 68.A O no hydrogen 3.377 N/A PHE 73.A N LEU 69.A O no hydrogen 2.917 N/A GLY 74.A N ARG 70.A O no hydrogen 2.943 N/A THR 75.A N HIS 72.A O no hydrogen 3.243 N/A THR 75.A OG1 HIS 72.A O no hydrogen 2.582 N/A ASP 79.A N PRO 76.A O no hydrogen 3.281 N/A LEU 84.A N PHE 73.A O no hydrogen 3.100 N/A TRP 85.A NE1 PRO 80.A O no hydrogen 3.182 N/A THR 88.A OG1 TRP 85.A O no hydrogen 3.147 N/A PHE 93.A N SER 89.A O no hydrogen 2.959 N/A LEU 94.A N GLN 90.A O no hydrogen 2.899 N/A GLU 95.A N GLU 91.A O no hydrogen 2.932 N/A TYR 96.A N TRP 92.A O no hydrogen 2.876 N/A TYR 96.A OH PHE 82.A O no hydrogen 3.428 N/A TYR 97.A N PHE 93.A O no hydrogen 2.904 N/A TYR 97.A OH ILE 54.A O no hydrogen 2.739 N/A ARG 98.A N LEU 94.A O no hydrogen 2.905 N/A ARG 98.A NE HIS 55.A O no hydrogen 2.948 N/A ARG 98.A NH2 HIS 55.A O no hydrogen 3.239 N/A SER 99.A N GLU 95.A O no hydrogen 2.918 N/A ARG 100.A N TYR 96.A O no hydrogen 2.922 N/A ARG 100.A NE GLN 117.A OE1 no hydrogen 3.512 N/A VAL 101.A N TYR 97.A O no hydrogen 3.021 N/A GLU 102.A N ARG 115.A O no hydrogen 2.905 N/A LEU 104.A N THR 113.A O no hydrogen 2.912 N/A ASP 106.A N LEU 111.A O no hydrogen 2.904 N/A ASP 107.A N ASP 107.A OD1 no hydrogen 2.414 N/A CYS 109.A SG ASP 106.A OD2 no hydrogen 3.084 N/A LEU 111.A N ASP 106.A O no hydrogen 2.933 N/A LEU 112.A N ILE 35.A O no hydrogen 2.932 N/A THR 113.A N LEU 104.A O no hydrogen 2.922 N/A THR 113.A OG1 SER 33.A O no hydrogen 3.330 N/A VAL 114.A N SER 33.A O no hydrogen 2.890 N/A ARG 115.A N GLU 102.A O no hydrogen 2.905 N/A ARG 115.A NE GLU 32.A OE1 no hydrogen 2.611 N/A ARG 115.A NH2 GLU 224.A OE2 no hydrogen 2.518 N/A VAL 116.A N SER 31.A O no hydrogen 2.890 N/A GLN 117.A N ARG 100.A O no hydrogen 2.947 N/A GLY 118.A N TYR 29.A O no hydrogen 2.892 N/A PHE 119.A N HIS 72.A NE2 no hydrogen 3.156 N/A ALA 124.A N GLU 120.A O no hydrogen 3.174 N/A GLN 125.A N PRO 121.A O no hydrogen 2.959 N/A GLN 125.A NE2 PRO 217.A O no hydrogen 3.451 N/A ALA 126.A N GLU 122.A O no hydrogen 2.901 N/A LEU 127.A N PHE 123.A O no hydrogen 2.867 N/A ASN 128.A N ALA 124.A O no hydrogen 2.956 N/A ASN 128.A ND2 SER 31.A O no hydrogen 2.876 N/A ASN 128.A ND2 VAL 114.A O no hydrogen 3.504 N/A ARG 129.A N GLN 125.A O no hydrogen 2.943 N/A ALA 130.A N ALA 126.A O no hydrogen 2.899 N/A ILE 131.A N LEU 127.A O no hydrogen 2.905 N/A LEU 132.A N ASN 128.A O no hydrogen 2.974 N/A GLU 133.A N ARG 129.A O no hydrogen 2.948 N/A GLU 134.A N ALA 130.A O no hydrogen 2.905 N/A SER 135.A N ILE 131.A O no hydrogen 2.901 N/A SER 135.A OG ILE 131.A O no hydrogen 2.272 N/A GLU 136.A N LEU 132.A O no hydrogen 2.987 N/A ARG 137.A N GLU 133.A O no hydrogen 2.967 N/A ARG 137.A NH2 GLU 134.A OE2 no hydrogen 3.049 N/A PHE 138.A N GLU 134.A O no hydrogen 2.894 N/A VAL 139.A N SER 135.A O no hydrogen 2.929 N/A ASN 140.A N GLU 136.A O no hydrogen 3.009 N/A ASN 140.A ND2 LYS 209.A O no hydrogen 2.349 N/A GLU 141.A N ARG 137.A O no hydrogen 2.896 N/A LEU 142.A N PHE 138.A O no hydrogen 2.964 N/A HIS 144.A N ASN 140.A O no hydrogen 2.991 N/A HIS 144.A NE2 ARG 206.A O no hydrogen 2.876 N/A ARG 145.A N GLU 141.A O no hydrogen 2.934 N/A ALA 147.A N SER 143.A O no hydrogen 3.008 N/A ARG 148.A N HIS 144.A O no hydrogen 2.865 N/A ARG 148.A NH1 GLU 141.A OE1 no hydrogen 3.520 N/A ARG 148.A NH2 GLU 141.A OE1 no hydrogen 2.890 N/A GLU 149.A N ARG 145.A O no hydrogen 3.003 N/A GLN 150.A N MET 146.A O no hydrogen 2.945 N/A GLY 151.A N ALA 147.A O no hydrogen 2.899 N/A GLN 152.A N ARG 148.A O no hydrogen 2.928 N/A PHE 153.A N GLU 149.A O no hydrogen 2.983 N/A ALA 154.A N GLN 150.A O no hydrogen 2.886 N/A GLU 155.A N GLY 151.A O no hydrogen 2.921 N/A ALA 156.A N GLN 152.A O no hydrogen 2.943 N/A GLU 157.A N PHE 153.A O no hydrogen 2.959 N/A LEU 158.A N ALA 154.A O no hydrogen 2.838 N/A GLU 159.A N GLU 155.A O no hydrogen 3.001 N/A ARG 160.A NE GLU 157.A OE2 no hydrogen 3.247 N/A ARG 160.A NH2 GLU 157.A OE2 no hydrogen 3.282 N/A ALA 161.A N GLU 157.A O no hydrogen 2.940 N/A THR 162.A N LEU 158.A O no hydrogen 2.896 N/A THR 162.A OG1 LEU 158.A O no hydrogen 3.233 N/A ALA 163.A N GLU 159.A O no hydrogen 2.961 N/A ARG 164.A N ARG 160.A O no hydrogen 2.914 N/A LEU 165.A N ALA 161.A O no hydrogen 2.909 N/A GLN 166.A N THR 162.A O no hydrogen 2.935 N/A GLN 166.A NE2 ALA 163.A O no hydrogen 3.432 N/A GLU 167.A N ALA 163.A O no hydrogen 2.953 N/A ALA 168.A N ARG 164.A O no hydrogen 2.928 N/A LYS 169.A N LEU 165.A O no hydrogen 2.891 N/A ARG 170.A N GLN 166.A O no hydrogen 2.923 N/A GLN 171.A N GLU 167.A O no hydrogen 2.928 N/A LEU 172.A N ALA 168.A O no hydrogen 2.915 N/A ILE 173.A N LYS 169.A O no hydrogen 2.909 N/A ALA 174.A N ARG 170.A O no hydrogen 2.923 N/A HIS 177.A ND1 GLN 180.A OE1 no hydrogen 2.454 N/A LEU 179.A N PHE 176.A O no hydrogen 3.239 N/A LEU 181.A N HIS 177.A O no hydrogen 2.930 N/A GLN 182.A N ASP 178.A O no hydrogen 2.879 N/A VAL 183.A N LEU 179.A O no hydrogen 2.924 N/A GLY 184.A N GLN 180.A O no hydrogen 2.897 N/A PHE 185.A N LEU 181.A O no hydrogen 2.887 N/A ALA 186.A N GLN 182.A O no hydrogen 2.933 N/A GLU 187.A N VAL 183.A O no hydrogen 2.897 N/A ASP 188.A N GLY 184.A O no hydrogen 2.885 N/A ALA 189.A N PHE 185.A O no hydrogen 2.930 N/A TYR 190.A N ALA 186.A O no hydrogen 2.927 N/A LYS 191.A N GLU 187.A O no hydrogen 2.885 N/A LEU 192.A N ASP 188.A O no hydrogen 2.922 N/A ALA 193.A N ALA 189.A O no hydrogen 2.931 N/A LEU 194.A N TYR 190.A O no hydrogen 2.905 N/A ALA 195.A N LYS 191.A O no hydrogen 2.918 N/A ALA 196.A N LEU 192.A O no hydrogen 2.912 N/A VAL 197.A N ALA 193.A O no hydrogen 2.917 N/A GLU 198.A N LEU 194.A O no hydrogen 2.906 N/A SER 199.A N ALA 195.A O no hydrogen 2.949 N/A SER 199.A OG ALA 195.A O no hydrogen 2.922 N/A SER 199.A OG ALA 196.A O no hydrogen 2.704 N/A ALA 200.A N ALA 196.A O no hydrogen 2.917 N/A ARG 201.A N VAL 197.A O no hydrogen 2.897 N/A ARG 201.A NH2 GLU 198.A OE2 no hydrogen 2.480 N/A ILE 202.A N GLU 198.A O no hydrogen 2.907 N/A GLU 203.A N SER 199.A O no hydrogen 2.941 N/A ALA 204.A N ARG 201.A O no hydrogen 3.444 N/A LYS 207.A NZ GLU 136.A OE2 no hydrogen 3.082 N/A LYS 209.A NZ ASP 46.A OD1 no hydrogen 3.395 N/A LYS 209.A NZ ASP 46.A OD2 no hydrogen 2.567 N/A SER 210.A N ARG 38.A O no hydrogen 3.208 N/A LEU 211.A N GLU 136.A OE2 no hydrogen 3.407 N/A VAL 212.A N THR 36.A O no hydrogen 3.000 N/A GLU 215.A N VAL 34.A O no hydrogen 2.923 N/A VAL 218.A N GLU 32.A O no hydrogen 3.452 N/A TYR 225.A N ARG 28.A O no hydrogen 3.280 N/A ARG 228.A NE PHE 21.A O no hydrogen 3.127 N/A ARG 228.A NH1 ASP 27.A OD1 no hydrogen 3.488 N/A ARG 228.A NH1 PRO 226.A O no hydrogen 3.565 N/A ASN 231.A N ARG 227.A O no hydrogen 3.019 N/A ASN 231.A ND2 ARG 227.A O no hydrogen 2.467 N/A LEU 232.A N ARG 228.A O no hydrogen 2.907 N/A ALA 233.A N TRP 229.A O no hydrogen 2.892 N/A THR 234.A N TYR 230.A O no hydrogen 2.969 N/A LEU 235.A N ASN 231.A O no hydrogen 2.888 N/A LEU 236.A N LEU 232.A O no hydrogen 2.884 N/A VAL 237.A N ALA 233.A O no hydrogen 2.974 N/A VAL 238.A N THR 234.A O no hydrogen 2.907 N/A CYS 239.A N LEU 235.A O no hydrogen 2.867 N/A CYS 239.A SG LEU 235.A O no hydrogen 3.165 N/A CYS 240.A N LEU 236.A O no hydrogen 2.933 N/A LEU 241.A N VAL 237.A O no hydrogen 2.945 N/A ILE 242.A N VAL 238.A O no hydrogen 2.887 N/A TYR 243.A N CYS 239.A O no hydrogen 2.893 N/A GLY 244.A N CYS 240.A O no hydrogen 2.954 N/A VAL 245.A N LEU 241.A O no hydrogen 2.918 N/A VAL 246.A N ILE 242.A O no hydrogen 2.893 N/A SER 247.A N TYR 243.A O no hydrogen 2.901 N/A SER 247.A OG GLY 244.A O no hydrogen 3.012 N/A LEU 248.A N GLY 244.A O no hydrogen 2.937 N/A VAL 249.A N VAL 245.A O no hydrogen 2.898 N/A VAL 250.A N VAL 246.A O no hydrogen 2.904 N/A ALA 251.A N SER 247.A O no hydrogen 2.912 N/A THR 252.A N LEU 248.A O no hydrogen 2.909 N/A THR 252.A OG1 LEU 248.A O no hydrogen 2.893 N/A THR 252.A OG1 VAL 249.A O no hydrogen 2.652 N/A ILE 253.A N VAL 249.A O no hydrogen 2.908 N/A ARG 254.A N VAL 250.A O no hydrogen 2.911 N/A