Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2npn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NE THR 85.A O no hydrogen 3.362 N/A ARG 2.A NE THR 85.A OG1 no hydrogen 2.870 N/A ARG 2.A NH2 THR 85.A O no hydrogen 2.813 N/A THR 3.A N GLY 89.A O no hydrogen 2.916 N/A ILE 4.A N ASP 120.A O.A no hydrogen 2.953 N/A ILE 4.A N ASP 120.A O.B no hydrogen 2.744 N/A TYR 5.A N VAL 91.A O no hydrogen 2.803 N/A VAL 6.A N LYS 122.A O no hydrogen 2.817 N/A ILE 7.A N PHE 93.A O no hydrogen 2.813 N/A GLY 8.A N ILE 124.A O no hydrogen 2.892 N/A ILE 9.A N VAL 95.A O no hydrogen 2.874 N/A GLY 10.A N GLY 97.A O no hydrogen 3.308 N/A THR 11.A OG1 ILE 127.A O no hydrogen 2.945 N/A SER 13.A N THR 11.A O no hydrogen 3.048 N/A GLU 15.A N SER 13.A OG no hydrogen 2.974 N/A PHE 16.A N SER 13.A O no hydrogen 3.245 N/A LEU 17.A N PRO 14.A O no hydrogen 3.282 N/A ALA 21.A N THR 18.A OG1 no hydrogen 3.062 N/A ILE 22.A N THR 18.A O no hydrogen 2.985 N/A SER 23.A N.A LEU 19.A O no hydrogen 2.934 N/A SER 23.A N.B LEU 19.A O no hydrogen 2.912 N/A SER 23.A OG.B LEU 19.A O no hydrogen 3.301 N/A GLY 24.A N GLN 20.A O no hydrogen 2.975 N/A LEU 25.A N ALA 21.A O no hydrogen 2.908 N/A ARG 26.A N ILE 22.A O no hydrogen 2.952 N/A HIS 27.A N SER 23.A O.A no hydrogen 3.026 N/A HIS 27.A N SER 23.A O.B no hydrogen 3.059 N/A ALA 28.A N LEU 25.A O no hydrogen 3.389 N/A GLN 29.A N ALA 90.A O no hydrogen 2.871 N/A VAL 32.A N ALA 92.A O no hydrogen 2.775 N/A ALA 33.A N TYR 58.A O no hydrogen 2.946 N/A ASP 35.A N VAL 60.A O no hydrogen 2.779 N/A GLN 36.A NE2 SER 38.A OG no hydrogen 2.739 N/A SER 38.A OG GLN 36.A OE1 no hydrogen 2.812 N/A LEU 41.A N LYS 37.A O no hydrogen 3.074 N/A ALA 42.A N SER 38.A O no hydrogen 3.005 N/A LEU 43.A N ASP 39.A O no hydrogen 3.006 N/A ARG 44.A N LEU 40.A O no hydrogen 2.911 N/A ARG 44.A NH1 ASP 35.A OD1 no hydrogen 2.770 N/A ARG 44.A NH2 ASP 35.A OD1 no hydrogen 3.490 N/A ARG 44.A NH2 ASP 35.A OD2 no hydrogen 2.898 N/A GLN 45.A N LEU 41.A O no hydrogen 2.929 N/A LYS 46.A N ALA 42.A O no hydrogen 2.962 N/A ILE 47.A N LEU 43.A O no hydrogen 3.068 N/A VAL 48.A N ARG 44.A O no hydrogen 3.159 N/A ASP 49.A N GLN 45.A O no hydrogen 2.737 N/A THR 50.A N LYS 46.A O no hydrogen 3.110 N/A THR 50.A OG1 LYS 46.A O no hydrogen 2.822 N/A HIS 51.A N ILE 47.A O no hydrogen 3.059 N/A ALA 52.A N VAL 48.A O no hydrogen 2.772 N/A THR 55.A OG1 ALA 52.A O no hydrogen 3.430 N/A TYR 58.A N ILE 31.A O no hydrogen 2.827 N/A VAL 60.A N ALA 33.A O no hydrogen 2.802 N/A ARG 68.A N GLU 64.A O no hydrogen 2.952 N/A TRP 69.A N GLU 65.A O no hydrogen 2.839 N/A HIS 70.A N VAL 66.A O no hydrogen 2.938 N/A ALA 71.A N ARG 67.A O no hydrogen 3.277 N/A GLU 72.A N ARG 68.A O no hydrogen 3.071 N/A ARG 73.A N TRP 69.A O no hydrogen 2.675 N/A ALA 74.A N HIS 70.A O no hydrogen 2.961 N/A HIS 75.A N ALA 71.A O no hydrogen 3.138 N/A LEU 76.A N GLU 72.A O no hydrogen 2.968 N/A LEU 77.A N ARG 73.A O no hydrogen 2.905 N/A ALA 78.A N ALA 74.A O no hydrogen 3.032 N/A SER 79.A N.A HIS 75.A O no hydrogen 2.964 N/A SER 79.A N.B HIS 75.A O no hydrogen 2.974 N/A SER 79.A OG.A HIS 75.A O no hydrogen 2.772 N/A SER 79.A OG.B HIS 75.A O no hydrogen 3.125 N/A SER 79.A OG.B LEU 76.A O no hydrogen 2.853 N/A THR 80.A N LEU 76.A O no hydrogen 2.947 N/A THR 80.A OG1 TYR 58.A OH no hydrogen 3.237 N/A THR 80.A OG1 LEU 76.A O no hydrogen 2.768 N/A ILE 81.A N LEU 77.A O no hydrogen 2.962 N/A ARG 82.A N ALA 78.A O no hydrogen 3.040 N/A ARG 82.A NH2 GLU 115.A O no hydrogen 2.945 N/A GLU 83.A N SER 79.A O.A no hydrogen 2.939 N/A GLU 83.A N SER 79.A O.B no hydrogen 2.906 N/A ARG 84.A N THR 80.A O no hydrogen 2.958 N/A THR 85.A N ILE 81.A O no hydrogen 3.061 N/A THR 85.A OG1 ILE 81.A O no hydrogen 2.636 N/A GLY 89.A N PRO 86.A O no hydrogen 2.798 N/A ALA 90.A N GLN 29.A OE1 no hydrogen 2.767 N/A VAL 91.A N THR 3.A O no hydrogen 2.965 N/A ALA 92.A N ALA 30.A O no hydrogen 2.924 N/A PHE 93.A N TYR 5.A O no hydrogen 2.780 N/A LEU 94.A N VAL 32.A O no hydrogen 2.866 N/A VAL 95.A N ILE 7.A O no hydrogen 2.940 N/A GLY 97.A N GLY 10.A O no hydrogen 2.816 N/A SER 100.A N ASP 98.A OD2 no hydrogen 2.879 N/A SER 100.A OG ASP 98.A OD2 no hydrogen 2.635 N/A LEU 101.A N ASP 98.A O no hydrogen 3.357 N/A THR 105.A N ASP 103.A OD2 no hydrogen 2.892 N/A THR 105.A OG1 ASP 103.A OD2 no hydrogen 3.019 N/A ILE 108.A N SER 104.A O no hydrogen 2.885 N/A ILE 109.A N THR 105.A O no hydrogen 2.878 N/A GLU 110.A N LEU 106.A O.A no hydrogen 2.922 N/A GLU 110.A N LEU 106.A O.B no hydrogen 3.196 N/A HIS 111.A N ARG 107.A O.A no hydrogen 2.978 N/A HIS 111.A N ARG 107.A O.B no hydrogen 3.023 N/A ARG 112.A NE.B LEU 117.A O no hydrogen 3.222 N/A ARG 112.A NH2.A ALA 119.A O no hydrogen 3.141 N/A ASN 113.A N GLU 110.A O no hydrogen 3.177 N/A LEU 114.A N HIS 111.A O no hydrogen 3.000 N/A LEU 117.A N ARG 112.A O no hydrogen 3.023 N/A ASP 120.A N.A ARG 2.A O no hydrogen 2.832 N/A ASP 120.A N.B ARG 2.A O no hydrogen 2.826 N/A LYS 122.A N ILE 4.A O no hydrogen 2.860 N/A ILE 124.A N VAL 6.A O no hydrogen 2.825 N/A GLY 126.A N ASP 98.A OD1 no hydrogen 3.053 N/A GLN 131.A N THR 128.A OG1 no hydrogen 3.114 N/A GLN 131.A NE2 THR 128.A OG1 no hydrogen 2.974 N/A VAL 132.A N THR 128.A O no hydrogen 3.118 N/A LEU 133.A N ALA 129.A O no hydrogen 2.857 N/A THR 134.A N VAL 130.A O no hydrogen 3.073 N/A THR 134.A OG1 VAL 130.A O no hydrogen 3.189 N/A THR 134.A OG1 GLN 131.A O no hydrogen 3.254 N/A ALA 135.A N GLN 131.A O no hydrogen 2.979 N/A GLU 136.A N VAL 132.A O no hydrogen 2.842 N/A HIS 137.A N LEU 133.A O no hydrogen 3.089 N/A HIS 137.A NE2 TRP 187.A O no hydrogen 2.962 N/A GLY 138.A N ALA 135.A O no hydrogen 3.092 N/A ILE 139.A N THR 134.A O no hydrogen 3.025 N/A ASN 142.A ND2 ARG 143.A O no hydrogen 2.981 N/A ARG 143.A N GLU 146.A OE1 no hydrogen 2.961 N/A ARG 143.A NE GLU 146.A OE1 no hydrogen 2.986 N/A ARG 143.A NE GLU 146.A OE2 no hydrogen 3.285 N/A ARG 143.A NH1 GLU 231.A O no hydrogen 2.942 N/A ARG 143.A NH2 GLU 146.A OE2 no hydrogen 2.877 N/A ARG 143.A NH2 GLU 231.A O no hydrogen 3.038 N/A GLU 146.A N ARG 143.A O no hydrogen 2.940 N/A HIS 149.A N ASN 166.A O no hydrogen 3.130 N/A THR 151.A N VAL 168.A O no hydrogen 2.851 N/A ASN 155.A N THR 152.A OG1 no hydrogen 3.065 N/A ASN 155.A ND2 THR 151.A OG1 no hydrogen 3.029 N/A LEU 156.A N GLY 153.A O no hydrogen 3.207 N/A GLU 158.A N ASN 155.A O no hydrogen 3.049 N/A THR 159.A N LEU 156.A O no hydrogen 3.044 N/A THR 159.A OG1 ASN 155.A O no hydrogen 2.790 N/A THR 159.A OG1 LEU 156.A O no hydrogen 3.352 N/A ASP 163.A N SER 160.A OG no hydrogen 2.925 N/A ARG 164.A N SER 160.A O no hydrogen 2.914 N/A ARG 164.A NE THR 159.A O no hydrogen 2.980 N/A ARG 164.A NH1 THR 159.A O no hydrogen 3.398 N/A ARG 165.A N LYS 162.A O.A no hydrogen 3.271 N/A ARG 165.A N LYS 162.A O.B no hydrogen 3.036 N/A ARG 165.A NH1 ASP 233.A OD1 no hydrogen 3.429 N/A ARG 165.A NH1 ASP 233.A OD2 no hydrogen 2.925 N/A ARG 165.A NH2 ASP 233.A OD1 no hydrogen 2.981 N/A ASN 166.A N ASP 163.A O no hydrogen 3.310 N/A ASN 166.A ND2 ILE 141.A O no hydrogen 2.911 N/A ASN 166.A ND2 ALA 147.A O no hydrogen 2.959 N/A CYS 167.A N.A LEU 229.A O no hydrogen 2.932 N/A CYS 167.A N.B LEU 229.A O no hydrogen 2.914 N/A CYS 167.A SG.A ARG 164.A O no hydrogen 4.047 N/A CYS 167.A SG.B HIS 149.A O no hydrogen 3.377 N/A CYS 167.A SG.B VAL 168.A O no hydrogen 4.030 N/A VAL 168.A N HIS 149.A O no hydrogen 2.849 N/A VAL 169.A N TYR 227.A O no hydrogen 2.841 N/A LYS 173.A N ASP 171.A OD1 no hydrogen 2.857 N/A ALA 175.A N ASP 171.A OD2 no hydrogen 2.846 N/A TRP 176.A NE1 GLY 207.A O no hydrogen 3.034 N/A GLN 177.A N THR 174.A O no hydrogen 3.020 N/A ASP 178.A N ALA 175.A O no hydrogen 3.057 N/A ALA 180.A N TRP 176.A O no hydrogen 3.320 N/A THR 181.A N THR 184.A OG1 no hydrogen 2.830 N/A THR 181.A OG1 THR 184.A OG1 no hydrogen 3.363 N/A THR 181.A OG1 GLU 231.A OE2 no hydrogen 2.527 N/A HIS 183.A N THR 181.A OG1 no hydrogen 2.992 N/A THR 184.A N THR 181.A O no hydrogen 3.191 N/A THR 184.A OG1 THR 181.A O no hydrogen 3.380 N/A THR 184.A OG1 THR 181.A OG1 no hydrogen 3.363 N/A THR 184.A OG1 GLU 231.A OE1 no hydrogen 2.825 N/A TYR 185.A N ARG 230.A O no hydrogen 2.800 N/A TRP 186.A N LEU 228.A O no hydrogen 3.006 N/A TRP 187.A N ARG 199.A O no hydrogen 2.784 N/A TRP 187.A NE1 ASP 225.A OD2 no hydrogen 2.835 N/A GLY 188.A N THR 226.A O no hydrogen 3.002 N/A ALA 189.A N VAL 197.A O no hydrogen 2.892 N/A GLY 192.A N GLN 196.A OE1 no hydrogen 2.873 N/A THR 193.A N PHE 190.A O no hydrogen 3.226 N/A THR 193.A OG1 PHE 190.A O no hydrogen 2.679 N/A GLN 195.A N.A THR 193.A OG1 no hydrogen 2.975 N/A GLN 195.A N.B THR 193.A OG1 no hydrogen 2.938 N/A GLN 196.A N THR 193.A O no hydrogen 3.089 N/A GLN 196.A NE2 GLU 136.A OE1 no hydrogen 2.954 N/A VAL 197.A N ALA 189.A O no hydrogen 3.032 N/A ARG 199.A N TRP 187.A O no hydrogen 3.049 N/A ARG 199.A NH1 LEU 198.A O no hydrogen 2.887 N/A VAL 203.A N THR 184.A O no hydrogen 2.926 N/A HIS 204.A ND1.A GLU 182.A O no hydrogen 2.745 N/A GLU 205.A N TYR 202.A O no hydrogen 2.905 N/A ILE 206.A N TYR 202.A O no hydrogen 2.924 N/A GLY 207.A N VAL 203.A O no hydrogen 2.812 N/A VAL 210.A N ILE 206.A O no hydrogen 2.836 N/A ALA 211.A N GLY 207.A O no hydrogen 3.017 N/A GLU 212.A N ALA 208.A O no hydrogen 2.989 N/A LEU 213.A N GLN 209.A O no hydrogen 2.919 N/A LYS 214.A N VAL 210.A O no hydrogen 2.782 N/A LYS 214.A NZ ASP 171.A O no hydrogen 2.789 N/A LYS 214.A NZ LYS 173.A O no hydrogen 2.628 N/A LYS 214.A NZ ASP 225.A OD1 no hydrogen 3.047 N/A LYS 214.A NZ ASP 225.A OD2 no hydrogen 2.719 N/A GLN 215.A N ALA 211.A O no hydrogen 3.258 N/A GLN 216.A N GLU 212.A O no hydrogen 2.977 N/A LEU 217.A N LEU 213.A O no hydrogen 2.883 N/A ARG 218.A N LYS 214.A O no hydrogen 2.929 N/A THR 219.A N GLN 215.A O no hydrogen 2.955 N/A THR 219.A OG1 GLN 215.A O no hydrogen 2.992 N/A THR 219.A OG1 GLN 215.A OE1.B no hydrogen 2.631 N/A GLU 220.A N GLN 216.A O no hydrogen 3.054 N/A HIS 221.A N LEU 217.A O no hydrogen 2.892 N/A GLY 222.A N ARG 218.A O no hydrogen 2.805 N/A THR 226.A N GLY 188.A O no hydrogen 2.946 N/A TYR 227.A N VAL 169.A O no hydrogen 3.218 N/A TYR 227.A OH ASP 171.A OD2 no hydrogen 2.654 N/A LEU 228.A N TRP 186.A O no hydrogen 2.861 N/A LEU 229.A N CYS 167.A O.A no hydrogen 2.858 N/A LEU 229.A N CYS 167.A O.B no hydrogen 2.885 N/A ARG 230.A N TYR 185.A O no hydrogen 2.937 N/A ARG 230.A NE ASN 166.A OD1 no hydrogen 2.841 N/A ARG 230.A NH1 LEU 140.A O no hydrogen 3.420 N/A ARG 230.A NH2 LEU 140.A O no hydrogen 2.913 N/A ARG 230.A NH2 ASN 166.A OD1 no hydrogen 2.950 N/A GLU 231.A N ARG 165.A O no hydrogen 2.916 N/A LEU 232.A N HIS 183.A O no hydrogen 2.941 N/A