Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1thp_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 1.A N GLY 142.A O no hydrogen 3.469 N/A ILE 1.A N ASN 143.A O no hydrogen 2.736 N/A ILE 1.A N ASP 196.A OD1 no hydrogen 3.526 N/A ILE 1.A N ASP 196.A OD2 no hydrogen 2.566 N/A VAL 2.A N ASP 191.A O no hydrogen 2.955 N/A SER 5.A N VAL 154.A O no hydrogen 2.805 N/A SER 5.A OG ASP 6.A O no hydrogen 3.507 N/A ALA 7.A N LEU 152.A O no hydrogen 2.709 N/A MET 11.A N GLU 8.A O no hydrogen 3.147 N/A SER 12.A OG GLN 15.A OE1 no hydrogen 2.790 N/A GLN 15.A N SER 12.A O no hydrogen 3.055 N/A GLN 15.A NE2 THR 139.A O no hydrogen 3.411 N/A VAL 16.A N ALA 30.A O no hydrogen 2.969 N/A MET 17.A N ARG 62.A O no hydrogen 2.947 N/A LEU 18.A N CYS 28.A O no hydrogen 2.989 N/A PHE 19.A N LEU 60.A O no hydrogen 3.042 N/A ARG 20.A N GLU 25.A O no hydrogen 2.714 N/A ARG 20.A NE GLU 25.A OE1 no hydrogen 2.622 N/A ARG 20.A NH2 GLU 25.A OE1 no hydrogen 3.282 N/A LYS 21.A N ASP 58.A O no hydrogen 2.819 N/A GLU 25.A N ARG 20.A O no hydrogen 3.314 N/A LEU 27.A N LEU 18.A O no hydrogen 2.646 N/A CYS 28.A N LEU 18.A O no hydrogen 3.197 N/A CYS 28.A SG LEU 27.A O no hydrogen 3.156 N/A GLY 29.A N SER 197.A O no hydrogen 2.828 N/A SER 31.A N LEU 39.A O no hydrogen 2.920 N/A SER 31.A OG LEU 39.A O no hydrogen 3.474 N/A SER 31.A OG GLN 213.A OE1 no hydrogen 2.622 N/A LEU 32.A N TRP 14.A O no hydrogen 2.814 N/A ILE 33.A N TRP 37.A O no hydrogen 3.098 N/A ARG 36.A N SER 34.A OG no hydrogen 2.941 N/A ARG 36.A NH2 GLU 82.A OE1 no hydrogen 2.981 N/A TRP 37.A N SER 34.A OG no hydrogen 2.846 N/A VAL 38.A N MET 103.A O no hydrogen 2.888 N/A LEU 39.A N SER 31.A O no hydrogen 2.736 N/A THR 40.A N ALA 101.A O no hydrogen 2.937 N/A THR 40.A OG1 GLY 29.A O no hydrogen 3.052 N/A ALA 41.A N THR 40.A OG1 no hydrogen 2.758 N/A HIS 43.A N ASP 99.A OD1 no hydrogen 2.862 N/A HIS 43.A ND1 ASP 99.A OD2 no hydrogen 2.730 N/A CYS 44.A N ALA 41.A O no hydrogen 3.125 N/A CYS 44.A SG SER 197.A O no hydrogen 3.496 N/A LEU 45.A N ALA 42.A O no hydrogen 2.836 N/A LEU 46.A N ALA 42.A O no hydrogen 2.801 N/A GLU 56.A N GLU 56.A OE1 no hydrogen 2.812 N/A ASP 58.A N THR 55I.A O no hydrogen 2.964 N/A LEU 59.A N GLU 56.A O no hydrogen 3.146 N/A LEU 60.A N PHE 19.A O no hydrogen 3.058 N/A VAL 61.A N SER 79.A O no hydrogen 2.983 N/A ARG 62.A N MET 17.A O no hydrogen 2.937 N/A ILE 63.A N LYS 77.A O no hydrogen 2.746 N/A LYS 65.A NZ SER 67.A O no hydrogen 2.485 N/A LYS 65.A NZ GLU 76.A OE2 no hydrogen 3.324 N/A HIS 66.A ND1 GLU 72.A OE2 no hydrogen 2.315 N/A ARG 68.A N SER 150.A O no hydrogen 3.274 N/A THR 69.A N SER 67.A OG no hydrogen 3.037 N/A ARG 70.A N SER 67.A OG no hydrogen 2.861 N/A ARG 70.A NH1 GLU 72.A OE1 no hydrogen 2.660 N/A ILE 75.A N GLU 72.A O no hydrogen 2.895 N/A GLU 76.A N GLU 72.A O no hydrogen 2.875 N/A LYS 77.A N ILE 63.A O no hydrogen 2.709 N/A SER 79.A N VAL 61.A O no hydrogen 2.950 N/A GLU 82.A N LYS 104.A O no hydrogen 2.734 N/A ILE 84.A N GLU 56.A OE2 no hydrogen 2.481 N/A TYR 85.A N LEU 102.A O no hydrogen 2.909 N/A HIS 87.A N ILE 100.A O no hydrogen 3.210 N/A ARG 89.A N HIS 87.A ND1 no hydrogen 3.134 N/A TYR 90.A N HIS 87.A O no hydrogen 3.050 N/A TYR 90.A OH LEU 46.A O no hydrogen 2.652 N/A ASN 91.A N ASP 97.A O no hydrogen 2.895 N/A ASN 91.A ND2 GLU 94A.A OE1 no hydrogen 3.505 N/A ASN 95.A ND2 ARG 172.A O no hydrogen 2.533 N/A LEU 96.A N ASN 91.A O no hydrogen 2.781 N/A ASP 97.A N ASN 95.A OD1 no hydrogen 3.200 N/A ILE 100.A N ARG 98.A O no hydrogen 2.962 N/A ALA 101.A N THR 40.A O no hydrogen 2.916 N/A LEU 102.A N TYR 85.A O no hydrogen 2.844 N/A MET 103.A N VAL 38.A O no hydrogen 2.759 N/A LYS 104.A N LYS 83.A O no hydrogen 3.039 N/A LEU 105.A N ARG 36.A O no hydrogen 2.720 N/A LYS 106.A N MET 80.A O no hydrogen 2.944 N/A VAL 109.A N ASP 35.A O no hydrogen 2.789 N/A SER 112.A N ILE 115.A O no hydrogen 2.942 N/A TYR 114.A N SER 112.A OG no hydrogen 2.925 N/A HIS 116.A N PRO 13.A O no hydrogen 3.077 N/A HIS 116.A ND1 SER 112.A O no hydrogen 2.846 N/A VAL 118.A N LEU 32.A O no hydrogen 2.853 N/A CYS 119.A N TRP 211.A O no hydrogen 3.187 N/A ARG 123.A NE GLU 124.A OE1 no hydrogen 3.132 N/A ARG 123.A NH2 GLU 124.A OE1 no hydrogen 3.541 N/A THR 125.A N ASP 122.A OD1 no hydrogen 2.985 N/A THR 125.A OG1 ASP 122.A OD1 no hydrogen 3.355 N/A THR 125.A OG1 ASP 122.A OD2 no hydrogen 2.626 N/A ALA 126.A N ASP 122.A O no hydrogen 3.208 N/A LEU 130.A N ALA 126.A O no hydrogen 2.882 N/A GLN 131.A N LEU 129C.A O no hydrogen 2.952 N/A GLY 133.A N ILE 159.A O no hydrogen 2.907 N/A TYR 134.A N GLN 131.A O no hydrogen 2.916 N/A GLY 136.A N LEU 157.A O no hydrogen 2.944 N/A ARG 137.A N VAL 202.A O no hydrogen 2.720 N/A ARG 137.A NE ASN 156.A OD1 no hydrogen 3.190 N/A VAL 138.A N VAL 155.A O no hydrogen 2.862 N/A THR 139.A OG1 GLN 15.A OE1 no hydrogen 2.714 N/A GLY 140.A N GLN 153.A O no hydrogen 3.038 N/A GLY 142.A N ASP 196.A OD1 no hydrogen 2.824 N/A ASN 143.A N GLU 194.A O no hydrogen 2.874 N/A LEU 144.A N GLY 147.A O no hydrogen 3.014 N/A GLN 153.A N GLY 140.A O no hydrogen 3.095 N/A VAL 154.A N SER 5.A O no hydrogen 2.809 N/A VAL 155.A N VAL 138.A O no hydrogen 2.979 N/A LEU 157.A N GLY 136.A O no hydrogen 2.980 N/A ILE 159.A N TYR 134.A O no hydrogen 2.864 N/A VAL 160.A N CYS 179.A O no hydrogen 2.896 N/A ARG 162.A NH1 MET 177.A O no hydrogen 2.751 N/A ARG 162.A NH2 MET 177.A O no hydrogen 3.061 N/A VAL 164.A N GLU 161.A O no hydrogen 2.770 N/A CYS 165.A N GLU 161.A O no hydrogen 3.192 N/A CYS 165.A SG VAL 160.A O no hydrogen 3.417 N/A CYS 165.A SG GLU 161.A O no hydrogen 3.721 N/A LYS 166.A N ARG 162.A O no hydrogen 2.854 N/A ASP 167.A N PRO 163.A O no hydrogen 3.187 N/A SER 168.A N CYS 165.A O no hydrogen 3.078 N/A SER 168.A OG CYS 165.A O no hydrogen 2.570 N/A THR 169.A OG1 GLU 221.A OE2 no hydrogen 2.506 N/A ARG 170.A NH1 ASP 167.A O no hydrogen 3.307 N/A ILE 171.A N THR 169.A OG1 no hydrogen 3.109 N/A ARG 172.A NE GLU 94A.A OE1 no hydrogen 3.379 N/A ARG 172.A NE GLU 94A.A OE2 no hydrogen 2.504 N/A ARG 172.A NH2 GLU 94A.A OE1 no hydrogen 3.475 N/A THR 174.A OG1 ASP 97.A OD1 no hydrogen 2.539 N/A ASN 176.A N THR 174.A OG1 no hydrogen 3.204 N/A MET 177.A N THR 174.A O no hydrogen 3.090 N/A PHE 178.A N TYR 232.A O no hydrogen 2.968 N/A ALA 180.A N GLY 230.A O no hydrogen 3.130 N/A GLY 181.A N PRO 158.A O no hydrogen 2.796 N/A LYS 183.A NZ GLU 161.A OE1 no hydrogen 2.967 N/A ARG 189.A NE ASP 224.A OD2 no hydrogen 2.855 N/A ARG 189.A NH1 ASP 226.A OD1 no hydrogen 2.995 N/A ARG 189.A NH2 ASP 224.A O no hydrogen 2.813 N/A ARG 189.A NH2 ASP 226.A OD1 no hydrogen 2.720 N/A GLY 190.A N ASP 224.A OD1 no hydrogen 2.841 N/A ASP 191.A N VAL 2.A O no hydrogen 3.273 N/A ALA 192.A N ASP 191.A OD1 no hydrogen 2.748 N/A CYS 193.A N ASP 196.A OD2 no hydrogen 2.850 N/A CYS 193.A SG LYS 145.A O no hydrogen 3.535 N/A ASP 196.A N CYS 193.A O no hydrogen 2.985 N/A GLY 198.A N VAL 217.A O no hydrogen 3.089 N/A GLY 199.A N ASP 196.A O no hydrogen 3.028 N/A PHE 201.A N GLY 215.A O no hydrogen 2.986 N/A VAL 202.A N ARG 137.A O no hydrogen 2.802 N/A MET 203.A N TYR 212.A O no hydrogen 2.868 N/A SER 205.A N ARG 210.A O no hydrogen 2.594 N/A ASN 209.A N SER 205.A O no hydrogen 2.944 N/A TYR 212.A N MET 203.A O no hydrogen 2.727 N/A TYR 212.A OH ASN 208B.A OD1 no hydrogen 2.859 N/A GLN 213.A N CYS 119.A O no hydrogen 2.814 N/A GLN 213.A NE2 GLY 215.A O no hydrogen 3.009 N/A MET 214.A N PHE 201.A O no hydrogen 2.859 N/A GLY 215.A N PHE 201.A O no hydrogen 3.149 N/A ILE 216.A N THR 233.A O no hydrogen 3.131 N/A VAL 217.A N GLY 199.A O no hydrogen 2.746 N/A SER 218.A N PHE 231.A O no hydrogen 2.996 N/A SER 218.A OG ASP 99.A OD2 no hydrogen 2.648 N/A TRP 219.A N PHE 231.A O no hydrogen 3.245 N/A CYS 223.A N GLU 146.A OE1 no hydrogen 3.016 N/A CYS 223.A SG ALA 192.A O no hydrogen 3.905 N/A ASP 224.A N ASP 191.A OD2 no hydrogen 2.745 N/A LYS 228.A N ARG 225A.A O no hydrogen 2.913 N/A LYS 228.A NZ SER 168.A O no hydrogen 2.463 N/A LYS 228.A NZ GLU 221.A OE1 no hydrogen 2.521 N/A PHE 231.A N TRP 219.A O no hydrogen 2.580 N/A TYR 232.A N PHE 178.A O no hydrogen 2.750 N/A THR 233.A N ILE 216.A O no hydrogen 2.882 N/A THR 233.A OG1 ASP 99.A O no hydrogen 2.628 N/A HIS 234.A N ASN 176.A O no hydrogen 2.848 N/A VAL 235.A N MET 214.A O no hydrogen 3.222 N/A ARG 237.A N HIS 234.A ND1 no hydrogen 3.406 N/A LEU 238.A N VAL 235.A O no hydrogen 3.055 N/A LYS 239.A N PHE 236.A O no hydrogen 3.116 N/A LYS 239.A NZ PRO 121.A O no hydrogen 2.839 N/A ILE 242.A N LEU 238.A O no hydrogen 3.306 N/A GLN 243.A N LYS 239.A O no hydrogen 2.812 N/A LYS 244.A N LYS 240.A O no hydrogen 2.990 N/A VAL 245.A N TRP 241.A O no hydrogen 3.039 N/A VAL 245.A N ILE 242.A O no hydrogen 3.267 N/A ILE 246.A N ILE 242.A O no hydrogen 2.987 N/A ASP 247.A N GLN 243.A O no hydrogen 2.554 N/A TYR 47A.A N LYS 52F.A O no hydrogen 2.836 N/A GLU 94A.A N ASN 91.A OD1 no hydrogen 2.954 N/A ALA 127A.A N ARG 123.A O no hydrogen 3.071 N/A TYR 182A.A OH ASN 156.A O no hydrogen 2.688 N/A PHE 207A.A N SER 205.A OG no hydrogen 3.143 N/A ARG 225A.A NE GLU 146.A OE1 no hydrogen 2.652 N/A ARG 225A.A NH2 GLU 146.A OE2 no hydrogen 2.318 N/A SER 128B.A N GLU 124.A O no hydrogen 3.110 N/A ASN 208B.A N SER 205.A OG no hydrogen 3.246 N/A LEU 129C.A N THR 125.A O no hydrogen 2.964 N/A TRP 50D.A N TYR 47A.A O no hydrogen 2.940 N/A ASP 51E.A N PRO 48B.A O no hydrogen 2.723 N/A LYS 52F.A N TYR 47A.A O no hydrogen 3.029 N/A ASN 53G.A ND2 PHE 54H.A O no hydrogen 3.669 N/A PHE 54H.A N LEU 45.A O no hydrogen 2.920 N/A THR 55I.A N ASP 58.A OD2 no hydrogen 3.150 N/A THR 55I.A OG1 ASN 57.A OD1 no hydrogen 3.142 N/A THR 55I.A OG1 ASP 58.A OD2 no hydrogen 3.251 N/A