Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6lij_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 4.A N SER 2.A OG no hydrogen 2.940 N/A ARG 5.A N SER 2.A O no hydrogen 3.022 N/A ARG 5.A NE TYR 8.A O no hydrogen 2.800 N/A ARG 5.A NH1 TYR 8.A O no hydrogen 2.861 N/A ARG 5.A NH1 GLU 13.A OE1 no hydrogen 2.829 N/A ARG 5.A NH2 GLU 13.A OE1 no hydrogen 2.671 N/A ASN 7.A ND2 GLN 121.A O no hydrogen 3.054 N/A TYR 8.A OH GLN 69.A OE1 no hydrogen 2.553 N/A GLU 11.A N HIS 9.A ND1 no hydrogen 2.863 N/A GLU 13.A N HIS 9.A O no hydrogen 3.018 N/A ALA 14.A N GLN 10.A O no hydrogen 2.988 N/A GLY 15.A N GLU 11.A O no hydrogen 2.918 N/A ILE 16.A N SER 12.A O no hydrogen 2.917 N/A ASN 17.A N GLU 13.A O no hydrogen 3.261 N/A ASN 17.A ND2 ARG 75.A O no hydrogen 3.177 N/A ARG 18.A N ALA 14.A O no hydrogen 2.975 N/A ARG 18.A NH1 SER 109.A OG no hydrogen 2.661 N/A ARG 18.A NH2 SER 109.A O no hydrogen 3.344 N/A GLN 19.A N GLY 15.A O no hydrogen 2.870 N/A GLN 19.A NE2 GLU 23.A OE2 no hydrogen 2.944 N/A ILE 20.A N ILE 16.A O no hydrogen 2.847 N/A ASN 21.A N ASN 17.A O no hydrogen 3.267 N/A ASN 21.A ND2 ASP 80.A O no hydrogen 2.854 N/A MET 22.A N ARG 18.A O no hydrogen 3.106 N/A GLU 23.A N GLN 19.A O no hydrogen 2.823 N/A LEU 24.A N ILE 20.A O no hydrogen 3.015 N/A TYR 25.A N ASN 21.A O no hydrogen 2.808 N/A ALA 26.A N MET 22.A O no hydrogen 3.013 N/A CYS 27.A N GLU 23.A O no hydrogen 2.903 N/A CYS 27.A SG SER 55.A O no hydrogen 3.421 N/A CYS 27.A SG SER 55.A OG no hydrogen 3.490 N/A TYR 28.A N LEU 24.A O no hydrogen 2.984 N/A THR 29.A N TYR 25.A O no hydrogen 3.020 N/A THR 29.A OG1 TYR 25.A O no hydrogen 3.495 N/A TYR 30.A N ALA 26.A O no hydrogen 2.970 N/A TYR 30.A OH GLU 103.A OE2 no hydrogen 2.527 N/A GLN 31.A N CYS 27.A O no hydrogen 2.980 N/A SER 32.A N TYR 28.A O no hydrogen 2.953 N/A MET 33.A N THR 29.A O no hydrogen 3.007 N/A ALA 34.A N TYR 30.A O no hydrogen 2.864 N/A TYR 35.A N GLN 31.A O no hydrogen 3.179 N/A TYR 36.A N SER 32.A O no hydrogen 2.867 N/A TYR 36.A OH GLY 90.A O no hydrogen 2.605 N/A PHE 37.A N MET 33.A O no hydrogen 2.986 N/A ASP 38.A N TYR 35.A O no hydrogen 3.269 N/A ARG 39.A N TYR 36.A O no hydrogen 3.120 N/A ARG 39.A NE ASP 41.A OD1 no hydrogen 2.866 N/A ARG 39.A NH2 ASP 41.A OD1 no hydrogen 3.338 N/A ARG 39.A NH2 ASP 41.A OD2 no hydrogen 2.701 N/A VAL 42.A N ARG 39.A O no hydrogen 3.001 N/A ALA 43.A N ARG 39.A O no hydrogen 2.765 N/A LEU 44.A N PHE 37.A O no hydrogen 3.006 N/A GLY 46.A N ASP 164.A OD2 no hydrogen 3.212 N/A PHE 47.A N ASP 164.A OD1 no hydrogen 2.820 N/A SER 48.A N LEU 44.A O no hydrogen 2.970 N/A SER 48.A OG ALA 34.A O no hydrogen 2.619 N/A LYS 49.A N PRO 45.A O no hydrogen 2.950 N/A LYS 49.A NZ ASP 168.A O no hydrogen 2.853 N/A LYS 49.A NZ ASP 168.A OD1 no hydrogen 2.844 N/A PHE 50.A N GLY 46.A O no hydrogen 2.865 N/A PHE 51.A N PHE 47.A O no hydrogen 3.027 N/A LYS 52.A N SER 48.A O no hydrogen 2.868 N/A LYS 52.A NZ ASP 56.A OD1 no hydrogen 2.892 N/A ASN 53.A N LYS 49.A O no hydrogen 2.929 N/A SER 54.A N PHE 50.A O no hydrogen 2.918 N/A SER 54.A OG PHE 50.A O no hydrogen 2.905 N/A SER 55.A N PHE 51.A O no hydrogen 2.805 N/A SER 55.A OG CYS 27.A O no hydrogen 2.917 N/A ASP 56.A N LYS 52.A O no hydrogen 2.982 N/A GLU 57.A N ASN 53.A O no hydrogen 3.027 N/A GLU 58.A N SER 54.A O no hydrogen 2.998 N/A ARG 59.A N SER 55.A O no hydrogen 3.033 N/A GLU 60.A N ASP 56.A O no hydrogen 3.046 N/A HIS 61.A N GLU 57.A O no hydrogen 2.825 N/A ALA 62.A N GLU 58.A O no hydrogen 2.973 N/A GLU 63.A N ARG 59.A O no hydrogen 3.110 N/A LYS 64.A N GLU 60.A O no hydrogen 3.000 N/A LYS 64.A NZ HIS 132.A ND1 no hydrogen 3.106 N/A LEU 65.A N HIS 61.A O no hydrogen 3.274 N/A MET 66.A N ALA 62.A O no hydrogen 2.982 N/A LYS 67.A N GLU 63.A O no hydrogen 2.801 N/A TYR 68.A N LYS 64.A O no hydrogen 2.888 N/A TYR 68.A OH GLN 124.A OE1 no hydrogen 2.514 N/A GLN 69.A N LEU 65.A O no hydrogen 2.847 N/A GLN 69.A NE2 GLU 13.A O no hydrogen 2.966 N/A GLN 69.A NE2 ASN 17.A OD1 no hydrogen 3.110 N/A ASN 70.A N MET 66.A O no hydrogen 3.299 N/A LYS 71.A N LYS 67.A O no hydrogen 2.935 N/A ARG 72.A N TYR 68.A O no hydrogen 3.056 N/A ARG 72.A NH1 TYR 68.A OH no hydrogen 2.907 N/A ARG 72.A NH1 ASP 122.A OD1 no hydrogen 2.923 N/A ARG 72.A NH1 ASP 122.A OD2 no hydrogen 3.250 N/A ARG 72.A NH2 GLN 6.A O no hydrogen 2.985 N/A ARG 72.A NH2 ASN 7.A O no hydrogen 2.991 N/A ARG 72.A NH2 ASP 122.A OD1 no hydrogen 3.395 N/A ARG 72.A NH2 ASP 122.A OD2 no hydrogen 3.305 N/A GLY 73.A N ASN 70.A O no hydrogen 2.999 N/A ARG 75.A N GLU 13.A OE2 no hydrogen 2.875 N/A ARG 75.A NH1 GLY 74.A O no hydrogen 2.725 N/A VAL 77.A N ASN 17.A OD1 no hydrogen 3.183 N/A ARG 86.A NE GLU 88.A O no hydrogen 2.942 N/A ARG 86.A NH2 GLU 88.A OE1 no hydrogen 2.997 N/A TRP 89.A NE1 SER 32.A OG no hydrogen 2.928 N/A GLY 90.A N GLU 88.A OE2 no hydrogen 2.953 N/A THR 91.A N ASP 94.A OD2 no hydrogen 2.973 N/A GLY 92.A N GLU 160.A OE2 no hydrogen 2.897 N/A ASP 94.A N THR 91.A OG1 no hydrogen 3.028 N/A ALA 95.A N THR 91.A O no hydrogen 3.040 N/A MET 96.A N GLY 92.A O no hydrogen 3.036 N/A GLN 97.A N LEU 93.A O no hydrogen 2.908 N/A VAL 98.A N ASP 94.A O no hydrogen 3.013 N/A ALA 99.A N ALA 95.A O no hydrogen 2.801 N/A LEU 100.A N MET 96.A O no hydrogen 2.818 N/A GLN 101.A N GLN 97.A O no hydrogen 3.215 N/A LEU 102.A N VAL 98.A O no hydrogen 2.885 N/A GLU 103.A N ALA 99.A O no hydrogen 2.863 N/A LYS 104.A N LEU 100.A O no hydrogen 2.972 N/A THR 105.A N GLN 101.A O no hydrogen 2.884 N/A THR 105.A OG1 GLN 101.A O no hydrogen 2.800 N/A VAL 106.A N LEU 102.A O no hydrogen 2.893 N/A ASN 107.A N GLU 103.A O no hydrogen 2.856 N/A GLN 108.A N LYS 104.A O no hydrogen 2.885 N/A GLN 108.A NE2 GLN 108.A O no hydrogen 3.295 N/A GLN 108.A NE2 ASP 112.A OD1 no hydrogen 3.096 N/A SER 109.A N THR 105.A O no hydrogen 3.057 N/A SER 109.A OG GLN 19.A OE1 no hydrogen 2.568 N/A LEU 110.A N VAL 106.A O no hydrogen 2.943 N/A LEU 111.A N ASN 107.A O no hydrogen 2.852 N/A ASP 112.A N GLN 108.A O no hydrogen 2.904 N/A LEU 113.A N SER 109.A O no hydrogen 2.887 N/A HIS 114.A N LEU 110.A O no hydrogen 2.772 N/A HIS 114.A NE2 GLU 130.A OE2 no hydrogen 2.638 N/A LYS 115.A N LEU 111.A O no hydrogen 2.970 N/A VAL 116.A N ASP 112.A O no hydrogen 3.060 N/A ALA 117.A N LEU 113.A O no hydrogen 3.038 N/A ASP 118.A N HIS 114.A O no hydrogen 2.826 N/A SER 119.A N LYS 115.A O no hydrogen 2.878 N/A SER 119.A OG VAL 116.A O no hydrogen 2.691 N/A HIS 120.A N VAL 116.A O no hydrogen 3.306 N/A HIS 120.A N ALA 117.A O no hydrogen 3.108 N/A HIS 120.A NE2 GLU 11.A OE1 no hydrogen 2.939 N/A GLN 121.A N ASP 118.A O no hydrogen 2.989 N/A ASP 122.A N ALA 117.A O no hydrogen 2.906 N/A MET 125.A N ASP 122.A OD1 no hydrogen 3.128 N/A CYS 126.A N ASP 122.A O no hydrogen 3.035 N/A CYS 126.A SG HIS 114.A O no hydrogen 3.886 N/A CYS 126.A SG ASP 122.A O no hydrogen 3.542 N/A ASP 127.A N ALA 123.A O no hydrogen 3.083 N/A PHE 128.A N GLN 124.A O no hydrogen 2.890 N/A LEU 129.A N MET 125.A O no hydrogen 2.926 N/A GLU 130.A N CYS 126.A O no hydrogen 2.928 N/A THR 131.A N ASP 127.A O no hydrogen 2.815 N/A THR 131.A OG1 ASP 127.A O no hydrogen 2.760 N/A THR 131.A OG1 ASP 127.A OD1 no hydrogen 3.286 N/A HIS 132.A N PHE 128.A O no hydrogen 2.982 N/A TYR 133.A N LEU 129.A O no hydrogen 2.879 N/A TYR 133.A OH HIS 61.A O no hydrogen 2.602 N/A LEU 134.A N LEU 129.A O no hydrogen 2.836 N/A GLU 135.A N GLU 130.A O no hydrogen 3.374 N/A GLN 137.A N TYR 133.A O no hydrogen 3.046 N/A GLN 137.A NE2 GLU 103.A O no hydrogen 3.029 N/A GLN 137.A NE2 GLU 103.A OE1 no hydrogen 2.761 N/A VAL 138.A N LEU 134.A O no hydrogen 3.227 N/A ASN 139.A N GLU 135.A O no hydrogen 3.063 N/A ALA 140.A N GLU 136.A O no hydrogen 2.744 N/A ILE 141.A N GLN 137.A O no hydrogen 2.778 N/A LYS 142.A N VAL 138.A O no hydrogen 3.042 N/A LYS 142.A NZ ASP 146.A OD1 no hydrogen 2.935 N/A LYS 142.A NZ ASP 146.A OD2 no hydrogen 2.986 N/A GLU 143.A N ASN 139.A O no hydrogen 2.911 N/A ILE 144.A N ALA 140.A O no hydrogen 3.005 N/A SER 145.A N ILE 141.A O no hydrogen 2.952 N/A SER 145.A OG ILE 141.A O no hydrogen 2.841 N/A ASP 146.A N LYS 142.A O no hydrogen 2.934 N/A HIS 147.A N GLU 143.A O no hydrogen 3.026 N/A HIS 147.A ND1 TYR 163.A OH no hydrogen 2.572 N/A ILE 148.A N ILE 144.A O no hydrogen 2.865 N/A THR 149.A N SER 145.A O no hydrogen 2.994 N/A THR 149.A OG1 SER 145.A O no hydrogen 3.255 N/A GLN 150.A N ASP 146.A O no hydrogen 2.953 N/A LEU 151.A N HIS 147.A O no hydrogen 2.813 N/A LYS 152.A N ILE 148.A O no hydrogen 2.930 N/A ARG 153.A N THR 149.A O no hydrogen 2.970 N/A ARG 153.A NH1 GLN 150.A OE1 no hydrogen 2.783 N/A VAL 154.A N GLN 150.A O no hydrogen 2.893 N/A GLY 155.A N LEU 151.A O no hydrogen 3.197 N/A TYR 161.A N GLY 157.A O no hydrogen 3.023 N/A GLU 162.A N LEU 158.A O no hydrogen 2.787 N/A TYR 163.A N GLY 159.A O no hydrogen 2.952 N/A TYR 163.A OH HIS 147.A ND1 no hydrogen 2.572 N/A ASP 164.A N GLU 160.A O no hydrogen 2.972 N/A ARG 165.A N TYR 161.A O no hydrogen 3.079 N/A ARG 165.A NH1 GLU 162.A OE1 no hydrogen 2.523 N/A ARG 166.A N GLU 162.A O no hydrogen 3.132 N/A LEU 167.A N TYR 163.A O no hydrogen 2.981 N/A ASP 168.A N ASP 164.A O no hydrogen 2.974 N/A ASP 168.A N ARG 165.A O no hydrogen 3.000 N/A SER 169.A N ARG 166.A O no hydrogen 3.270 N/A SER 169.A OG ARG 166.A O no hydrogen 2.880 N/A