Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4yqb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 4.A N LEU 33.A O no hydrogen 3.011 N/A TRP 5.A N GLN 109.A O no hydrogen 2.959 N/A TRP 5.A NE1 GLU 37.A OE2 no hydrogen 3.004 N/A ILE 6.A N LYS 35.A O no hydrogen 2.731 N/A GLY 7.A N LEU 111.A O no hydrogen 2.713 N/A VAL 8.A N GLU 37.A O no hydrogen 2.686 N/A ILE 9.A N LEU 113.A O no hydrogen 2.841 N/A SER 10.A N TRP 39.A O no hydrogen 3.060 N/A SER 10.A OG GLU 145.A OE2 no hydrogen 2.560 N/A PHE 12.A N SER 10.A OG no hydrogen 2.806 N/A MET 15.A N PHE 12.A O no hydrogen 3.049 N/A PHE 16.A N PRO 13.A O no hydrogen 3.023 N/A LYS 17.A N GLU 14.A O no hydrogen 3.217 N/A ALA 18.A N MET 15.A O no hydrogen 3.048 N/A ILE 19.A N PHE 16.A O no hydrogen 2.920 N/A THR 20.A N PHE 16.A O no hydrogen 2.932 N/A THR 20.A OG1 PHE 16.A O no hydrogen 3.198 N/A GLU 21.A N LYS 17.A O no hydrogen 2.999 N/A THR 25.A OG1 ILE 19.A O no hydrogen 2.545 N/A THR 25.A OG1 PHE 22.A O no hydrogen 3.402 N/A GLY 26.A N PHE 22.A O no hydrogen 2.967 N/A ARG 27.A N GLY 23.A O no hydrogen 2.946 N/A ALA 28.A N VAL 24.A O no hydrogen 2.979 N/A VAL 29.A N THR 25.A O no hydrogen 2.930 N/A LYS 30.A N GLY 26.A O no hydrogen 2.982 N/A HIS 31.A N ARG 27.A O no hydrogen 2.842 N/A ASN 32.A N VAL 29.A O no hydrogen 3.015 N/A LEU 33.A N ALA 28.A O no hydrogen 2.889 N/A LEU 34.A N ALA 28.A O no hydrogen 3.205 N/A LYS 35.A N MET 4.A O no hydrogen 2.925 N/A LYS 35.A NZ GLU 37.A OE2 no hydrogen 3.046 N/A GLU 37.A N ILE 6.A O no hydrogen 2.938 N/A TRP 39.A N VAL 8.A O no hydrogen 2.761 N/A ASN 40.A ND2 LEU 11.A O no hydrogen 3.438 N/A ARG 42.A N ASN 40.A OD1 no hydrogen 2.916 N/A ASP 43.A N ASN 40.A O no hydrogen 2.704 N/A PHE 44.A N PRO 41.A O no hydrogen 2.803 N/A THR 45.A N ARG 42.A O no hydrogen 3.475 N/A THR 45.A OG1 ARG 42.A O no hydrogen 2.914 N/A LYS 50.A N ASP 47.A O no hydrogen 2.986 N/A THR 51.A N ASP 47.A OD1 no hydrogen 2.921 N/A THR 51.A N ASP 47.A OD2 no hydrogen 3.337 N/A THR 51.A OG1 ASP 47.A OD2 no hydrogen 2.623 N/A ASP 54.A N LEU 64.A O no hydrogen 2.811 N/A ARG 55.A N ASP 54.A OD1 no hydrogen 2.883 N/A GLY 59.A N PRO 56.A O no hydrogen 3.381 N/A LEU 64.A N ASP 54.A O no hydrogen 2.841 N/A MET 65.A N GLY 120.A O no hydrogen 2.956 N/A MET 66.A N VAL 52.A O no hydrogen 2.812 N/A GLN 68.A NE2 PHE 44.A O no hydrogen 2.932 N/A GLN 68.A NE2 ASP 72.A OD2 no hydrogen 2.777 N/A ARG 71.A N VAL 67.A O no hydrogen 2.743 N/A ASP 72.A N GLN 68.A O no hydrogen 2.962 N/A ALA 73.A N PRO 69.A O no hydrogen 2.977 N/A ILE 74.A N LEU 70.A O no hydrogen 2.958 N/A HIS 75.A N ARG 71.A O no hydrogen 2.980 N/A HIS 75.A NE2 GLU 129.A OE2 no hydrogen 2.772 N/A THR 76.A N ASP 72.A O no hydrogen 3.024 N/A THR 76.A OG1 ASP 72.A O no hydrogen 2.835 N/A ALA 77.A N ALA 73.A O no hydrogen 2.953 N/A LYS 78.A N ILE 74.A O no hydrogen 2.908 N/A LYS 78.A NZ GLU 129.A O no hydrogen 3.010 N/A LYS 78.A NZ GLU 129.A OE1 no hydrogen 3.276 N/A ALA 79.A N HIS 75.A O no hydrogen 2.999 N/A ALA 80.A N THR 76.A O no hydrogen 3.157 N/A ALA 81.A N ALA 77.A O no hydrogen 2.979 N/A GLY 82.A N LYS 78.A O no hydrogen 3.056 N/A LYS 86.A N LYS 110.A O no hydrogen 3.352 N/A LYS 86.A NZ GLU 132.A OE1 no hydrogen 2.905 N/A VAL 87.A N ASP 131.A OD2 no hydrogen 2.796 N/A ILE 88.A N ILE 112.A O no hydrogen 2.683 N/A TYR 89.A N GLU 132.A O no hydrogen 2.997 N/A SER 91.A N TRP 134.A O no hydrogen 2.992 N/A SER 91.A OG GLU 133.A OE2 no hydrogen 2.915 N/A GLN 93.A N SER 91.A OG no hydrogen 3.031 N/A GLY 94.A N SER 91.A O no hydrogen 3.160 N/A ARG 95.A N GLU 133.A O no hydrogen 2.790 N/A ARG 95.A NH1 GLU 104.A OE1 no hydrogen 3.561 N/A ARG 95.A NH2 GLU 104.A OE1 no hydrogen 3.535 N/A ARG 95.A NH2 GLU 104.A OE2 no hydrogen 3.093 N/A LYS 96.A NZ ASP 138.A OD2 no hydrogen 3.421 N/A LEU 97.A N SER 135.A O no hydrogen 2.606 N/A GLY 101.A N ASP 98.A OD1 no hydrogen 2.933 N/A VAL 102.A N ASP 98.A O no hydrogen 2.820 N/A THR 103.A N GLN 99.A O no hydrogen 3.008 N/A THR 103.A OG1 GLY 100.A O no hydrogen 2.696 N/A GLU 104.A N GLY 100.A O no hydrogen 3.123 N/A LEU 105.A N GLY 101.A O no hydrogen 3.047 N/A ALA 106.A N VAL 102.A O no hydrogen 2.865 N/A GLN 107.A N GLU 104.A O no hydrogen 3.150 N/A GLN 107.A NE2 THR 103.A O no hydrogen 2.980 N/A ASN 108.A N LEU 105.A O no hydrogen 3.095 N/A ASN 108.A ND2 LEU 105.A O no hydrogen 2.953 N/A GLN 109.A NE2 HIS 3.A O no hydrogen 3.352 N/A LYS 110.A NZ ALA 81.A O no hydrogen 2.582 N/A LYS 110.A NZ GLU 83.A O no hydrogen 2.921 N/A LEU 111.A N TRP 5.A O no hydrogen 3.030 N/A ILE 112.A N LYS 86.A O no hydrogen 2.887 N/A LEU 113.A N GLY 7.A O no hydrogen 2.708 N/A VAL 114.A N ILE 88.A O no hydrogen 2.788 N/A CYS 115.A N ILE 9.A O no hydrogen 2.879 N/A ARG 117.A NE GLU 145.A OE1 no hydrogen 2.964 N/A ARG 117.A NH2 GLU 145.A OE1 no hydrogen 3.007 N/A GLU 119.A N MET 63.A O no hydrogen 2.785 N/A GLY 120.A N ARG 117.A O no hydrogen 2.957 N/A ILE 121.A N TYR 89.A OH no hydrogen 3.323 N/A ARG 124.A N ASP 122.A OD1 no hydrogen 2.777 N/A ARG 124.A NE ASP 122.A OD1 no hydrogen 2.930 N/A ARG 124.A NH2 ASP 122.A OD2 no hydrogen 2.788 N/A LEU 125.A N ASP 122.A O no hydrogen 3.084 N/A GLN 127.A N GLU 123.A O no hydrogen 3.197 N/A THR 128.A N ARG 124.A O no hydrogen 2.935 N/A THR 128.A OG1 ARG 124.A O no hydrogen 3.072 N/A GLU 129.A N LEU 125.A O no hydrogen 2.713 N/A ILE 130.A N ILE 126.A O no hydrogen 3.164 N/A ASP 131.A N VAL 87.A O no hydrogen 2.741 N/A GLU 132.A N VAL 87.A O no hydrogen 3.213 N/A TRP 134.A N TYR 89.A O no hydrogen 2.951 N/A TRP 134.A NE1 GLU 132.A OE2 no hydrogen 2.905 N/A SER 135.A N ARG 95.A O no hydrogen 2.676 N/A GLY 137.A N SER 135.A OG no hydrogen 2.940 N/A TYR 139.A N GLY 137.A O no hydrogen 2.951 N/A GLY 144.A N GLY 116.A O no hydrogen 2.872 N/A GLU 145.A N GLU 145.A OE1 no hydrogen 2.819 N/A ALA 148.A N GLY 144.A O no hydrogen 2.869 N/A MET 149.A N GLU 145.A O no hydrogen 2.868 N/A THR 150.A N LEU 146.A O no hydrogen 2.852 N/A THR 150.A OG1 LEU 146.A O no hydrogen 2.850 N/A LEU 151.A N PRO 147.A O no hydrogen 2.981 N/A ILE 152.A N ALA 148.A O no hydrogen 2.880 N/A ASP 153.A N MET 149.A O no hydrogen 2.891 N/A ALA 154.A N THR 150.A O no hydrogen 3.004 N/A VAL 155.A N LEU 151.A O no hydrogen 3.010 N/A ALA 156.A N ILE 152.A O no hydrogen 2.810 N/A PHE 158.A N VAL 155.A O no hydrogen 2.908 N/A ILE 159.A N ALA 156.A O no hydrogen 3.051 N/A VAL 162.A N ILE 159.A O no hydrogen 3.043 N/A GLY 169.A N PHE 166.A O no hydrogen 2.687 N/A LEU 171.A N THR 211.A OG1 no hydrogen 2.858 N/A CYS 173.A SG PRO 174.A O no hydrogen 3.759 N/A HIS 175.A NE2 ASP 172.A OD2 no hydrogen 2.943 N/A ARG 178.A N THR 177.A OG1 no hydrogen 2.781 N/A LEU 182.A N LEU 185.A O no hydrogen 2.757 N/A LEU 185.A N LEU 182.A O no hydrogen 2.961 N/A VAL 187.A N GLU 180.A O no hydrogen 3.161 N/A LEU 191.A N PRO 188.A O no hydrogen 2.922 N/A MET 192.A N PRO 189.A O no hydrogen 2.817 N/A SER 193.A N VAL 190.A O no hydrogen 2.998 N/A SER 193.A OG VAL 190.A O no hydrogen 2.601 N/A HIS 195.A N SER 193.A OG no hydrogen 3.096 N/A ILE 199.A N HIS 195.A O no hydrogen 2.906 N/A ARG 200.A N HIS 196.A O no hydrogen 3.005 N/A ARG 200.A NE GLU 197.A OE1 no hydrogen 3.155 N/A ARG 200.A NH1 GLU 227.A OE1 no hydrogen 2.913 N/A ARG 200.A NH1 GLU 227.A OE2 no hydrogen 3.551 N/A ARG 200.A NH2 GLU 197.A OE1 no hydrogen 3.478 N/A ARG 200.A NH2 GLU 197.A OE2 no hydrogen 2.983 N/A ARG 200.A NH2 GLU 227.A OE1 no hydrogen 3.568 N/A ARG 200.A NH2 GLU 227.A OE2 no hydrogen 2.783 N/A LYS 201.A N GLU 197.A O no hydrogen 3.134 N/A TRP 202.A N GLU 198.A O no hydrogen 2.905 N/A ARG 203.A N ILE 199.A O no hydrogen 2.990 N/A LEU 204.A N ARG 200.A O no hydrogen 2.966 N/A LYS 205.A N LYS 201.A O no hydrogen 2.869 N/A LYS 205.A NZ GLU 234.A OE1 no hydrogen 2.682 N/A LYS 205.A NZ GLU 238.A OE2 no hydrogen 2.821 N/A GLN 206.A N TRP 202.A O no hydrogen 2.891 N/A SER 207.A N ARG 203.A O no hydrogen 2.939 N/A SER 207.A OG LEU 171.A O no hydrogen 2.961 N/A SER 207.A OG ARG 203.A O no hydrogen 3.369 N/A LEU 208.A N LEU 204.A O no hydrogen 2.971 N/A GLN 209.A N LYS 205.A O no hydrogen 2.891 N/A GLN 209.A NE2 ALA 235.A O no hydrogen 3.670 N/A ARG 210.A N GLN 206.A O no hydrogen 2.807 N/A ARG 210.A NH1 ASP 172.A O no hydrogen 3.310 N/A THR 211.A N SER 207.A O no hydrogen 2.939 N/A THR 211.A OG1 SER 207.A O no hydrogen 2.764 N/A TRP 212.A N LEU 208.A O no hydrogen 2.899 N/A LEU 213.A N GLN 209.A O no hydrogen 2.888 N/A ARG 214.A N ARG 210.A O no hydrogen 2.897 N/A ARG 215.A N THR 211.A O no hydrogen 2.762 N/A ARG 215.A NE GLU 217.A OE2 no hydrogen 2.835 N/A ARG 215.A NH2 GLU 217.A OE2 no hydrogen 3.054 N/A GLU 217.A N GLU 217.A OE1 no hydrogen 2.681 N/A LEU 218.A N ARG 215.A O no hydrogen 2.929 N/A LEU 219.A N PRO 216.A O no hydrogen 3.209 N/A GLU 220.A N GLU 217.A O no hydrogen 3.223 N/A GLY 221.A N LEU 218.A O no hydrogen 3.344 N/A LEU 222.A N LEU 219.A O no hydrogen 3.071 N/A THR 225.A N GLN 228.A OE1 no hydrogen 2.988 N/A GLN 228.A N THR 225.A OG1 no hydrogen 2.997 N/A ARG 229.A N THR 225.A O no hydrogen 2.795 N/A ARG 229.A NH1 LEU 224.A O no hydrogen 2.846 N/A LYS 230.A N ASP 226.A O no hydrogen 2.925 N/A LEU 231.A N GLU 227.A O no hydrogen 3.050 N/A LEU 232.A N GLN 228.A O no hydrogen 2.950 N/A LYS 233.A N ARG 229.A O no hydrogen 3.087 N/A GLU 234.A N LYS 230.A O no hydrogen 2.982 N/A ALA 235.A N LEU 231.A O no hydrogen 2.961 N/A GLN 236.A N LEU 232.A O no hydrogen 2.948 N/A ALA 237.A N LYS 233.A O no hydrogen 2.879 N/A GLU 238.A N GLU 234.A O no hydrogen 2.902 N/A HIS 239.A N ALA 235.A O no hydrogen 2.935 N/A ASN 240.A N GLN 236.A O no hydrogen 3.155 N/A ASN 240.A N ALA 237.A O no hydrogen 3.248 N/A ASN 240.A ND2 GLN 236.A O no hydrogen 2.588 N/A