Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4yqa_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 3.A N LEU 32.A O no hydrogen 3.078 N/A TRP 4.A N GLN 108.A O no hydrogen 2.929 N/A TRP 4.A NE1 GLU 36.A OE2 no hydrogen 3.014 N/A ILE 5.A N LYS 34.A O no hydrogen 2.792 N/A GLY 6.A N LEU 110.A O no hydrogen 2.805 N/A VAL 7.A N GLU 36.A O no hydrogen 2.771 N/A ILE 8.A N LEU 112.A O no hydrogen 2.849 N/A SER 9.A N TRP 38.A O no hydrogen 2.982 N/A SER 9.A OG GLU 144.A OE2 no hydrogen 2.589 N/A PHE 11.A N SER 9.A OG no hydrogen 2.903 N/A MET 14.A N PHE 11.A O no hydrogen 3.000 N/A PHE 15.A N PRO 12.A O no hydrogen 2.992 N/A LYS 16.A N GLU 13.A O no hydrogen 3.154 N/A ALA 17.A N MET 14.A O no hydrogen 3.078 N/A ILE 18.A N PHE 15.A O no hydrogen 3.020 N/A THR 19.A N PHE 15.A O no hydrogen 2.988 N/A THR 19.A OG1 PHE 15.A O no hydrogen 3.330 N/A GLU 20.A N LYS 16.A O no hydrogen 2.978 N/A THR 24.A OG1 ILE 18.A O no hydrogen 2.688 N/A THR 24.A OG1 PHE 21.A O no hydrogen 3.335 N/A GLY 25.A N PHE 21.A O no hydrogen 3.015 N/A ARG 26.A N GLY 22.A O no hydrogen 2.980 N/A ARG 26.A NH2.A GLY 160.A O no hydrogen 3.017 N/A ALA 27.A N VAL 23.A O no hydrogen 2.953 N/A VAL 28.A N THR 24.A O no hydrogen 3.007 N/A LYS 29.A N GLY 25.A O no hydrogen 3.003 N/A HIS 30.A N ARG 26.A O no hydrogen 2.877 N/A ASN 31.A N VAL 28.A O no hydrogen 3.040 N/A LEU 32.A N ALA 27.A O no hydrogen 2.862 N/A LEU 33.A N ALA 27.A O no hydrogen 3.225 N/A LYS 34.A N MET 3.A O no hydrogen 2.954 N/A GLU 36.A N ILE 5.A O no hydrogen 2.913 N/A TRP 38.A N VAL 7.A O no hydrogen 2.807 N/A ASN 39.A ND2 LEU 10.A O no hydrogen 3.478 N/A ARG 41.A N ASN 39.A OD1 no hydrogen 2.874 N/A ASP 42.A N ASN 39.A O no hydrogen 2.859 N/A PHE 43.A N PRO 40.A O no hydrogen 2.860 N/A THR 44.A N ARG 41.A O no hydrogen 3.316 N/A THR 44.A OG1 ARG 41.A O no hydrogen 2.768 N/A LYS 49.A N ASP 46.A O no hydrogen 3.062 N/A THR 50.A N ASP 46.A OD1 no hydrogen 2.945 N/A THR 50.A OG1 ASP 46.A OD2 no hydrogen 2.690 N/A ASP 53.A N LEU 63.A O no hydrogen 2.823 N/A ARG 54.A N ASP 53.A OD1 no hydrogen 2.817 N/A GLY 58.A N PRO 55.A O no hydrogen 3.281 N/A LEU 63.A N ASP 53.A O no hydrogen 2.866 N/A MET 64.A N GLY 119.A O no hydrogen 2.918 N/A MET 65.A N VAL 51.A O no hydrogen 2.826 N/A GLN 67.A NE2 PHE 43.A O no hydrogen 2.925 N/A GLN 67.A NE2 ASP 71.A OD2 no hydrogen 2.865 N/A ARG 70.A N VAL 66.A O no hydrogen 2.773 N/A ASP 71.A N GLN 67.A O no hydrogen 2.959 N/A ALA 72.A N PRO 68.A O no hydrogen 3.012 N/A ILE 73.A N LEU 69.A O no hydrogen 2.923 N/A HIS 74.A N ARG 70.A O no hydrogen 2.930 N/A HIS 74.A NE2 GLU 128.A OE2 no hydrogen 2.739 N/A THR 75.A N ASP 71.A O no hydrogen 3.024 N/A THR 75.A OG1 ASP 71.A O no hydrogen 3.025 N/A ALA 76.A N ALA 72.A O no hydrogen 2.976 N/A LYS 77.A N ILE 73.A O no hydrogen 2.895 N/A LYS 77.A NZ GLU 128.A O no hydrogen 3.020 N/A LYS 77.A NZ GLU 128.A OE1 no hydrogen 2.627 N/A ALA 78.A N HIS 74.A O no hydrogen 2.999 N/A ALA 79.A N THR 75.A O no hydrogen 3.036 N/A ALA 80.A N ALA 76.A O no hydrogen 2.936 N/A GLY 81.A N LYS 77.A O no hydrogen 3.119 N/A LYS 85.A N LYS 109.A O no hydrogen 3.408 N/A LYS 85.A NZ GLU 131.A OE1 no hydrogen 3.071 N/A VAL 86.A N ASP 130.A OD2 no hydrogen 2.839 N/A ILE 87.A N ILE 111.A O no hydrogen 2.719 N/A TYR 88.A N GLU 131.A O no hydrogen 3.001 N/A SER 90.A N TRP 133.A O no hydrogen 2.943 N/A SER 90.A OG GLN 92.A OE1 no hydrogen 3.485 N/A SER 90.A OG GLU 132.A OE2 no hydrogen 2.806 N/A GLN 92.A N SER 90.A OG no hydrogen 3.014 N/A GLY 93.A N SER 90.A O no hydrogen 3.053 N/A ARG 94.A N GLU 132.A O no hydrogen 2.964 N/A ARG 94.A NH1 GLU 103.A OE1 no hydrogen 3.423 N/A ARG 94.A NH2 GLU 103.A OE1 no hydrogen 3.482 N/A ARG 94.A NH2 GLU 103.A OE2 no hydrogen 3.038 N/A LYS 95.A NZ ASP 137.A OD2 no hydrogen 2.826 N/A LEU 96.A N SER 134.A O no hydrogen 2.741 N/A GLY 100.A N ASP 97.A OD1 no hydrogen 2.921 N/A VAL 101.A N ASP 97.A O no hydrogen 2.859 N/A THR 102.A N GLN 98.A O no hydrogen 2.935 N/A THR 102.A OG1 GLY 99.A O no hydrogen 2.516 N/A GLU 103.A N GLY 99.A O no hydrogen 3.044 N/A LEU 104.A N GLY 100.A O no hydrogen 2.929 N/A ALA 105.A N VAL 101.A O no hydrogen 2.901 N/A GLN 106.A N GLU 103.A O no hydrogen 3.192 N/A GLN 106.A NE2 THR 102.A O no hydrogen 2.813 N/A ASN 107.A N LEU 104.A O no hydrogen 3.128 N/A ASN 107.A ND2 LEU 104.A O no hydrogen 2.994 N/A LYS 109.A NZ ALA 80.A O no hydrogen 2.524 N/A LYS 109.A NZ GLU 82.A O no hydrogen 3.290 N/A LEU 110.A N TRP 4.A O no hydrogen 3.069 N/A ILE 111.A N LYS 85.A O no hydrogen 2.841 N/A LEU 112.A N GLY 6.A O no hydrogen 2.750 N/A VAL 113.A N ILE 87.A O no hydrogen 2.801 N/A CYS 114.A N ILE 8.A O no hydrogen 2.911 N/A ARG 116.A NE GLU 144.A OE1 no hydrogen 2.816 N/A ARG 116.A NH2 GLU 144.A OE1 no hydrogen 2.995 N/A GLU 118.A N MET 62.A O no hydrogen 2.780 N/A GLY 119.A N ARG 116.A O no hydrogen 3.253 N/A ARG 123.A N ASP 121.A OD1 no hydrogen 2.727 N/A ARG 123.A NE ASP 121.A OD1 no hydrogen 2.877 N/A ARG 123.A NH2 ASP 121.A OD2 no hydrogen 2.836 N/A LEU 124.A N ASP 121.A O no hydrogen 2.942 N/A ILE 125.A N ASP 121.A O no hydrogen 3.424 N/A GLN 126.A N GLU 122.A O no hydrogen 3.107 N/A THR 127.A N ARG 123.A O no hydrogen 2.914 N/A THR 127.A OG1 ARG 123.A O no hydrogen 2.921 N/A GLU 128.A N LEU 124.A O no hydrogen 2.802 N/A ILE 129.A N ILE 125.A O no hydrogen 3.300 N/A ASP 130.A N VAL 86.A O no hydrogen 2.842 N/A GLU 131.A N VAL 86.A O no hydrogen 3.187 N/A TRP 133.A N TYR 88.A O no hydrogen 3.034 N/A TRP 133.A NE1 GLU 131.A OE2 no hydrogen 2.877 N/A SER 134.A N ARG 94.A O no hydrogen 2.800 N/A GLY 136.A N SER 134.A OG no hydrogen 3.006 N/A TYR 138.A N GLY 136.A O no hydrogen 2.848 N/A GLY 143.A N GLY 115.A O no hydrogen 2.846 N/A GLU 144.A N GLU 144.A OE1 no hydrogen 2.801 N/A ALA 147.A N GLY 143.A O no hydrogen 2.881 N/A MET 148.A N GLU 144.A O no hydrogen 2.841 N/A THR 149.A N LEU 145.A O no hydrogen 2.870 N/A THR 149.A OG1 LEU 145.A O no hydrogen 2.838 N/A LEU 150.A N PRO 146.A O no hydrogen 2.954 N/A ILE 151.A N ALA 147.A O no hydrogen 2.923 N/A ASP 152.A N MET 148.A O no hydrogen 2.896 N/A ALA 153.A N THR 149.A O no hydrogen 2.969 N/A VAL 154.A N LEU 150.A O no hydrogen 2.931 N/A ALA 155.A N ILE 151.A O no hydrogen 2.872 N/A PHE 157.A N VAL 154.A O no hydrogen 2.948 N/A ILE 158.A N ALA 155.A O no hydrogen 3.089 N/A VAL 161.A N ILE 158.A O no hydrogen 3.149 N/A LEU 166.A N ASP 164.A OD1 no hydrogen 3.459 N/A LEU 167.A N THR 207.A OG1 no hydrogen 2.932 N/A CYS 169.A N ASP 168.A OD1 no hydrogen 2.993 N/A CYS 169.A SG PRO 170.A O no hydrogen 3.708 N/A HIS 171.A NE2 ASP 168.A OD2 no hydrogen 2.541 N/A ARG 174.A N THR 173.A OG1 no hydrogen 2.753 N/A LEU 178.A N LEU 181.A O no hydrogen 2.869 N/A LEU 181.A N LEU 178.A O no hydrogen 2.835 N/A VAL 183.A N GLU 176.A O no hydrogen 3.266 N/A LEU 187.A N PRO 184.A O no hydrogen 3.007 N/A MET 188.A N PRO 185.A O no hydrogen 2.883 N/A SER 189.A N VAL 186.A O no hydrogen 3.097 N/A SER 189.A OG VAL 186.A O no hydrogen 2.638 N/A HIS 191.A N SER 189.A OG no hydrogen 3.119 N/A GLU 194.A N HIS 191.A ND1 no hydrogen 3.030 N/A ILE 195.A N HIS 191.A O no hydrogen 2.878 N/A ARG 196.A N HIS 192.A O no hydrogen 2.887 N/A ARG 196.A NE GLU 193.A OE1 no hydrogen 3.216 N/A ARG 196.A NH1 GLU 223.A OE1 no hydrogen 2.999 N/A ARG 196.A NH1 GLU 223.A OE2 no hydrogen 3.548 N/A ARG 196.A NH2 GLU 193.A OE2 no hydrogen 2.939 N/A ARG 196.A NH2 GLU 223.A OE2 no hydrogen 2.737 N/A LYS 197.A N GLU 193.A O no hydrogen 2.987 N/A TRP 198.A N GLU 194.A O no hydrogen 2.958 N/A ARG 199.A N ILE 195.A O no hydrogen 2.969 N/A LEU 200.A N ARG 196.A O no hydrogen 3.026 N/A LYS 201.A N LYS 197.A O no hydrogen 2.868 N/A LYS 201.A NZ GLU 230.A OE1 no hydrogen 3.043 N/A LYS 201.A NZ GLU 234.A OE2 no hydrogen 2.462 N/A GLN 202.A N TRP 198.A O no hydrogen 2.880 N/A SER 203.A N ARG 199.A O no hydrogen 2.910 N/A SER 203.A OG.A LEU 167.A O no hydrogen 2.781 N/A SER 203.A OG.A ARG 199.A O no hydrogen 3.454 N/A SER 203.A OG.B LEU 167.A O no hydrogen 2.412 N/A LEU 204.A N LEU 200.A O no hydrogen 2.886 N/A GLN 205.A N LYS 201.A O no hydrogen 2.827 N/A GLN 205.A NE2 ALA 231.A O no hydrogen 3.696 N/A ARG 206.A N GLN 202.A O no hydrogen 2.852 N/A ARG 206.A NH1.B ASP 168.A O no hydrogen 2.940 N/A THR 207.A N SER 203.A O no hydrogen 2.952 N/A THR 207.A OG1 SER 203.A O no hydrogen 2.742 N/A TRP 208.A N LEU 204.A O no hydrogen 2.932 N/A LEU 209.A N GLN 205.A O no hydrogen 2.923 N/A ARG 210.A N ARG 206.A O no hydrogen 2.944 N/A ARG 211.A N THR 207.A O no hydrogen 2.780 N/A ARG 211.A NE GLU 213.A OE2 no hydrogen 2.691 N/A ARG 211.A NH2 GLU 213.A OE2 no hydrogen 3.096 N/A GLU 213.A N GLU 213.A OE1 no hydrogen 2.718 N/A LEU 214.A N ARG 211.A O no hydrogen 2.953 N/A LEU 215.A N PRO 212.A O no hydrogen 3.078 N/A GLU 216.A N GLU 213.A O no hydrogen 3.197 N/A GLY 217.A N LEU 214.A O no hydrogen 3.292 N/A LEU 218.A N LEU 215.A O no hydrogen 3.035 N/A THR 221.A N GLN 224.A OE1 no hydrogen 2.897 N/A GLN 224.A N THR 221.A OG1 no hydrogen 3.086 N/A ARG 225.A N THR 221.A O no hydrogen 2.851 N/A ARG 225.A NH2 ASP 222.A OD1 no hydrogen 2.775 N/A LYS 226.A N ASP 222.A O no hydrogen 3.027 N/A LEU 227.A N GLU 223.A O no hydrogen 2.942 N/A LEU 228.A N GLN 224.A O no hydrogen 2.905 N/A LYS 229.A N ARG 225.A O no hydrogen 3.013 N/A GLU 230.A N LYS 226.A O no hydrogen 2.929 N/A ALA 231.A N LEU 227.A O no hydrogen 2.928 N/A GLN 232.A N LEU 228.A O no hydrogen 2.862 N/A ALA 233.A N LYS 229.A O no hydrogen 2.904 N/A GLU 234.A N GLU 230.A O no hydrogen 2.980 N/A HIS 235.A N ALA 231.A O no hydrogen 2.969 N/A ASN 236.A N GLN 232.A O no hydrogen 3.071 N/A SER 237.A N GLU 234.A O no hydrogen 2.848 N/A