Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pqi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N TRP 52.A O no hydrogen 3.165 N/A LYS 2.A N TRP 52.A O no hydrogen 2.905 N/A THR 4.A N TYR 54.A O no hydrogen 3.204 N/A PHE 7.A N GLU 56.A O no hydrogen 3.088 N/A VAL 9.A N LYS 58.A O no hydrogen 2.939 N/A ASP 11.A N PRO 8.A O no hydrogen 3.137 N/A ASN 13.A N ASP 11.A OD1 no hydrogen 2.898 N/A TYR 14.A N ASP 11.A O no hydrogen 2.950 N/A TYR 14.A OH GLU 5.A OE2 no hydrogen 3.238 N/A TYR 16.A OH MET 159.A O no hydrogen 2.542 N/A SER 17.A N ASP 174.A OD1 no hydrogen 3.106 N/A SER 17.A OG ASP 174.A OD1 no hydrogen 3.310 N/A PHE 19.A N TYR 16.A O no hydrogen 3.099 N/A ILE 20.A N TYR 16.A O no hydrogen 3.006 N/A ALA 21.A N SER 17.A O no hydrogen 2.784 N/A SER 22.A N ALA 18.A O no hydrogen 3.139 N/A SER 22.A OG GLU 5.A OE2 no hydrogen 3.028 N/A VAL 23.A N PHE 19.A O no hydrogen 2.876 N/A ARG 24.A N ILE 20.A O no hydrogen 2.877 N/A ARG 24.A NE LEU 164.A O no hydrogen 3.093 N/A ARG 24.A NH1 ASN 167.A OD1 no hydrogen 3.119 N/A ARG 24.A NH2 GLY 163.A O no hydrogen 2.865 N/A ARG 24.A NH2 LEU 164.A O no hydrogen 3.533 N/A LYS 25.A N ALA 21.A O no hydrogen 3.084 N/A ASP 26.A N SER 22.A O no hydrogen 3.300 N/A VAL 27.A N VAL 23.A O no hydrogen 3.181 N/A ILE 28.A N ARG 24.A O no hydrogen 2.811 N/A HIS 30.A N VAL 27.A O no hydrogen 2.717 N/A CYS 31.A N ILE 28.A O no hydrogen 2.888 N/A CYS 31.A SG VAL 27.A O no hydrogen 3.589 N/A CYS 31.A SG PRO 40.A O no hydrogen 3.999 N/A THR 32.A N VAL 41.A O no hydrogen 3.133 N/A ILE 37.A N HIS 34.A O no hydrogen 3.213 N/A GLN 39.A N GLN 39.A OE1 no hydrogen 2.581 N/A GLN 39.A NE2 VAL 232.A O no hydrogen 3.065 N/A VAL 41.A N THR 32.A O no hydrogen 3.101 N/A LEU 42.A N VAL 235.A O no hydrogen 2.914 N/A LYS 46.A N ASP 71.A OD2 no hydrogen 3.294 N/A LEU 53.A N ILE 68.A O no hydrogen 2.606 N/A TYR 54.A N LYS 2.A O no hydrogen 3.083 N/A THR 55.A N LEU 66.A O no hydrogen 3.004 N/A LEU 57.A N ILE 64.A O no hydrogen 2.956 N/A LYS 58.A N PHE 7.A O no hydrogen 3.035 N/A THR 59.A N SER 62.A O no hydrogen 2.818 N/A THR 59.A OG1 SER 62.A O no hydrogen 2.914 N/A ARG 60.A N GLU 10.A OE2 no hydrogen 2.645 N/A THR 61.A N THR 59.A OG1 no hydrogen 3.422 N/A SER 62.A N THR 59.A OG1 no hydrogen 3.022 N/A ILE 64.A N LEU 57.A O no hydrogen 3.034 N/A THR 65.A N ARG 79.A O no hydrogen 3.050 N/A LEU 66.A N THR 55.A O no hydrogen 2.805 N/A ALA 67.A N GLY 77.A O no hydrogen 2.919 N/A ILE 68.A N LEU 53.A O no hydrogen 2.790 N/A ARG 69.A N TYR 74.A O no hydrogen 3.280 N/A ARG 69.A NE ASP 71.A OD1 no hydrogen 3.005 N/A ARG 69.A NH2 LYS 46.A O no hydrogen 3.019 N/A ARG 69.A NH2 ASP 71.A OD1 no hydrogen 3.520 N/A ARG 69.A NH2 ASP 71.A OD2 no hydrogen 3.071 N/A MET 70.A N LEU 51.A O no hydrogen 3.169 N/A ASN 72.A N ARG 69.A O no hydrogen 3.428 N/A LEU 73.A N MET 70.A O no hydrogen 3.075 N/A TYR 74.A N ARG 69.A O no hydrogen 3.286 N/A TYR 74.A OH GLY 108.A O no hydrogen 2.236 N/A VAL 76.A N ALA 67.A O no hydrogen 3.043 N/A PHE 78.A N TRP 86.A O no hydrogen 2.983 N/A ARG 79.A N THR 65.A O no hydrogen 2.787 N/A THR 80.A N VAL 84.A O no hydrogen 2.941 N/A THR 80.A OG1 VAL 84.A O no hydrogen 3.291 N/A GLY 83.A N THR 80.A O no hydrogen 2.677 N/A VAL 84.A N THR 80.A OG1 no hydrogen 3.047 N/A TRP 86.A N PHE 78.A O no hydrogen 2.920 N/A GLU 87.A N ARG 102.A O no hydrogen 2.685 N/A PHE 88.A N VAL 76.A O no hydrogen 2.961 N/A GLY 89.A N PHE 106.A O no hydrogen 2.827 N/A LYS 90.A N ASP 93.A OD1 no hydrogen 3.097 N/A ASP 93.A N LYS 90.A O no hydrogen 2.893 N/A LEU 96.A N GLU 87.A OE2 no hydrogen 2.704 N/A LEU 97.A N GLU 87.A OE1 no hydrogen 3.337 N/A ARG 102.A N TRP 85.A O no hydrogen 2.887 N/A LEU 104.A N GLU 87.A O no hydrogen 2.851 N/A GLY 105.A N GLY 89.A O no hydrogen 2.975 N/A ARG 109.A N ASP 112.A OD2 no hydrogen 3.186 N/A TYR 110.A OH GLU 162.A OE2 no hydrogen 2.418 N/A LEU 113.A N ARG 109.A O no hydrogen 2.926 N/A GLY 115.A N GLN 111.A O no hydrogen 2.767 N/A LYS 117.A N ILE 114.A O no hydrogen 3.325 N/A GLU 120.A N GLU 120.A OE2 no hydrogen 2.866 N/A THR 121.A N GLY 118.A O no hydrogen 2.952 N/A THR 121.A OG1 GLY 118.A O no hydrogen 2.812 N/A VAL 122.A N LEU 119.A O no hydrogen 3.131 N/A MET 124.A N VAL 183.A O no hydrogen 2.813 N/A ARG 126.A N PHE 177.A O no hydrogen 2.984 N/A ARG 126.A NE ASN 178.A OD1 no hydrogen 2.328 N/A ARG 126.A NH1 TYR 14.A O no hydrogen 3.023 N/A ARG 126.A NH2 VAL 9.A O no hydrogen 2.619 N/A MET 129.A N GLY 125.A O no hydrogen 2.704 N/A THR 130.A N ARG 126.A O no hydrogen 2.895 N/A THR 130.A OG1 ARG 126.A O no hydrogen 2.551 N/A ARG 131.A N ALA 127.A O no hydrogen 2.791 N/A ARG 131.A NH2 GLU 128.A OE2 no hydrogen 2.529 N/A ALA 132.A N GLU 128.A O no hydrogen 2.790 N/A VAL 133.A N MET 129.A O no hydrogen 3.029 N/A ASN 134.A N THR 130.A O no hydrogen 3.122 N/A ASN 134.A ND2 THR 59.A OG1 no hydrogen 2.590 N/A ASP 135.A N ARG 131.A O no hydrogen 3.030 N/A LEU 136.A N ALA 132.A O no hydrogen 2.828 N/A ALA 137.A N VAL 133.A O no hydrogen 2.854 N/A LYS 138.A N ASP 135.A O no hydrogen 3.086 N/A LYS 139.A NZ LYS 141.A O no hydrogen 2.633 N/A LEU 143.A N LYS 141.A O no hydrogen 3.089 N/A LYS 150.A NZ ASP 112.A O no hydrogen 3.286 N/A SER 151.A OG ASP 148.A O no hydrogen 3.372 N/A LYS 152.A N ASP 148.A O no hydrogen 3.141 N/A LEU 153.A N THR 149.A O no hydrogen 3.055 N/A VAL 154.A N LYS 150.A O no hydrogen 2.940 N/A LYS 155.A NZ THR 123.A O no hydrogen 3.061 N/A LYS 155.A NZ GLU 128.A OE1 no hydrogen 2.828 N/A VAL 157.A N LEU 153.A O no hydrogen 2.972 N/A VAL 158.A N VAL 154.A O no hydrogen 3.110 N/A MET 159.A N LYS 155.A O no hydrogen 2.992 N/A VAL 160.A N LEU 156.A O no hydrogen 2.713 N/A GLU 162.A N VAL 157.A O no hydrogen 3.037 N/A LEU 164.A N VAL 160.A O no hydrogen 2.935 N/A ARG 165.A N CYS 161.A O no hydrogen 3.173 N/A ARG 165.A NH1 GLU 162.A OE1 no hydrogen 2.982 N/A ARG 165.A NH2 ASN 72.A O no hydrogen 2.794 N/A PHE 166.A N GLU 162.A O no hydrogen 2.815 N/A ASN 167.A N ILE 231.A O no hydrogen 2.536 N/A ASN 167.A ND2 ARG 230.A O no hydrogen 3.445 N/A ASN 167.A ND2 ILE 231.A O no hydrogen 3.698 N/A THR 168.A N ILE 231.A O no hydrogen 3.399 N/A THR 168.A OG1 GLN 189.A OE1 no hydrogen 2.908 N/A SER 170.A N PHE 166.A O no hydrogen 3.133 N/A SER 170.A OG ASN 167.A O no hydrogen 3.389 N/A ARG 171.A N ASN 167.A O no hydrogen 3.267 N/A ARG 171.A NH2 ASN 167.A OD1 no hydrogen 3.257 N/A THR 172.A N THR 168.A O no hydrogen 3.169 N/A THR 172.A OG1 THR 168.A O no hydrogen 3.162 N/A THR 172.A OG1 GLN 189.A OE1 no hydrogen 2.650 N/A VAL 173.A N VAL 169.A O no hydrogen 2.839 N/A ASP 174.A N SER 170.A O no hydrogen 3.104 N/A ALA 175.A N ARG 171.A O no hydrogen 2.985 N/A GLY 176.A N THR 172.A O no hydrogen 3.273 N/A GLY 176.A N VAL 173.A O no hydrogen 3.049 N/A PHE 177.A N ASP 174.A O no hydrogen 3.066 N/A SER 179.A N GLY 176.A O no hydrogen 3.373 N/A HIS 181.A N SER 179.A OG no hydrogen 3.307 N/A VAL 183.A N MET 124.A O no hydrogen 3.029 N/A GLN 189.A N THR 186.A OG1 no hydrogen 2.907 N/A GLN 189.A NE2 THR 186.A OG1 no hydrogen 3.382 N/A GLY 190.A N THR 186.A O no hydrogen 3.006 N/A LYS 191.A N VAL 187.A O no hydrogen 3.185 N/A GLN 192.A N THR 188.A O no hydrogen 3.077 N/A GLN 192.A NE2 LEU 220.A O no hydrogen 3.014 N/A VAL 193.A N GLN 189.A O no hydrogen 2.793 N/A GLN 194.A N GLY 190.A O no hydrogen 3.009 N/A LYS 195.A N GLN 192.A O no hydrogen 2.718 N/A TRP 196.A N VAL 193.A O no hydrogen 3.266 N/A TRP 196.A NE1 LEU 234.A O no hydrogen 2.824 N/A ILE 199.A N LYS 195.A O no hydrogen 2.871 N/A SER 200.A N TRP 196.A O no hydrogen 2.763 N/A SER 200.A OG TRP 196.A O no hydrogen 3.316 N/A LYS 201.A N ASP 197.A O no hydrogen 2.855 N/A ALA 202.A N ARG 198.A O no hydrogen 2.968 N/A ALA 203.A N ILE 199.A O no hydrogen 2.964 N/A PHE 204.A N SER 200.A O no hydrogen 3.393 N/A GLU 205.A N LYS 201.A O no hydrogen 3.039 N/A TRP 206.A N ALA 202.A O no hydrogen 2.669 N/A TRP 206.A NE1 ALA 212.A O no hydrogen 3.004 N/A ALA 207.A N PHE 204.A O no hydrogen 2.843 N/A ASP 208.A N PHE 204.A O no hydrogen 3.079 N/A HIS 209.A N GLU 205.A O no hydrogen 2.984 N/A ALA 212.A N HIS 209.A O no hydrogen 3.227 N/A MET 217.A N ILE 214.A O no hydrogen 2.631 N/A GLN 218.A N ILE 214.A O no hydrogen 3.037 N/A LYS 219.A N PRO 215.A O no hydrogen 2.875 N/A LEU 220.A N MET 217.A O no hydrogen 2.954 N/A GLY 221.A N GLN 218.A O no hydrogen 2.878 N/A ILE 222.A N MET 217.A O no hydrogen 2.898 N/A LYS 223.A N GLU 227.A OE1 no hydrogen 2.542 N/A LYS 225.A NZ GLY 36.A O no hydrogen 2.734 N/A ASN 226.A N ASP 224.A OD1 no hydrogen 3.135 N/A GLU 227.A N ASP 224.A OD1 no hydrogen 3.256 N/A ALA 228.A N ASP 224.A O no hydrogen 3.052 N/A ALA 229.A N LYS 225.A O no hydrogen 2.919 N/A ARG 230.A N GLU 227.A O no hydrogen 3.331 N/A ILE 231.A N GLU 227.A O no hydrogen 3.372 N/A ILE 231.A N ALA 228.A O no hydrogen 3.121 N/A VAL 232.A N ALA 228.A O no hydrogen 3.057 N/A ALA 233.A N ARG 165.A O no hydrogen 2.721 N/A LEU 234.A N ARG 165.A O no hydrogen 3.299 N/A LYS 236.A N SER 200.A OG no hydrogen 2.722 N/A LYS 236.A NZ GLU 45.A OE2 no hydrogen 3.489 N/A GLN 238.A NE2 ASP 197.A OD2 no hydrogen 3.383 N/A