Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5agy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 4.A N ASN 60.A OD1 no hydrogen 2.828 N/A VAL 6.A N ILE 58.A O no hydrogen 2.920 N/A LEU 7.A N GLU 31.A O no hydrogen 2.750 N/A LEU 8.A N VAL 56.A O no hydrogen 2.870 N/A ASP 9.A N LYS 33.A O no hydrogen 3.065 N/A PHE 10.A N ASP 9.A OD1 no hydrogen 2.611 N/A TRP 11.A N GLU 34.A OE2 no hydrogen 2.930 N/A SER 13.A N PHE 10.A O no hydrogen 2.881 N/A GLY 16.A N SER 13.A OG no hydrogen 3.135 N/A MET 17.A N SER 13.A O no hydrogen 3.030 N/A ARG 18.A N PRO 14.A O no hydrogen 3.129 N/A ARG 18.A NE ALA 156.A O no hydrogen 2.927 N/A ARG 18.A NH1 SER 67.A OG no hydrogen 2.905 N/A ARG 18.A NH1 ASP 103.A OD1 no hydrogen 2.701 N/A ARG 18.A NH2 ASP 103.A OD1 no hydrogen 2.924 N/A ARG 18.A NH2 ALA 156.A O no hydrogen 3.214 N/A ARG 20.A N GLY 16.A O no hydrogen 2.981 N/A ARG 20.A NE ASP 9.A OD2 no hydrogen 2.707 N/A ARG 20.A NH1 TRP 11.A O no hydrogen 3.152 N/A ARG 20.A NH1 SER 198.A O no hydrogen 3.221 N/A ARG 20.A NH2 ASP 9.A OD1 no hydrogen 3.230 N/A ARG 20.A NH2 ASP 9.A OD2 no hydrogen 3.168 N/A ARG 20.A NH2 TRP 11.A O no hydrogen 3.023 N/A ILE 21.A N MET 17.A O no hydrogen 2.898 N/A ALA 22.A N ARG 18.A O no hydrogen 2.963 N/A LEU 23.A N VAL 19.A O no hydrogen 2.928 N/A ALA 24.A N ARG 20.A O no hydrogen 2.930 N/A GLU 25.A N ILE 21.A O no hydrogen 2.824 N/A LYS 26.A N ALA 22.A O no hydrogen 3.218 N/A LYS 26.A N LEU 23.A O no hydrogen 3.154 N/A LYS 26.A NZ GLU 75.A OE1 no hydrogen 2.845 N/A LYS 26.A NZ TRP 78.A O no hydrogen 2.865 N/A LYS 26.A NZ ARG 81.A O no hydrogen 2.872 N/A LYS 26.A NZ ASN 82.A O no hydrogen 2.949 N/A GLY 27.A N ALA 24.A O no hydrogen 2.920 N/A ILE 28.A N LEU 23.A O no hydrogen 2.964 N/A LYS 29.A NZ TYR 30.A O no hydrogen 3.531 N/A GLU 31.A N VAL 5.A O no hydrogen 2.873 N/A TYR 32.A OH GLU 34.A OE1 no hydrogen 2.704 N/A LYS 33.A N LEU 7.A O no hydrogen 2.803 N/A GLU 35.A N ASP 9.A O no hydrogen 2.750 N/A GLN 38.A N ASP 36.A OD1 no hydrogen 2.897 N/A ASN 39.A N ASP 36.A O no hydrogen 2.878 N/A LYS 40.A NZ LYS 52.A O no hydrogen 2.725 N/A SER 41.A N GLU 35.A OE1 no hydrogen 3.056 N/A SER 41.A OG GLU 35.A OE1 no hydrogen 3.374 N/A SER 41.A OG GLU 35.A OE2 no hydrogen 2.649 N/A LEU 44.A N SER 41.A OG no hydrogen 2.945 N/A LEU 45.A N SER 41.A O no hydrogen 3.045 N/A LYS 46.A N PRO 42.A O no hydrogen 2.895 N/A MET 47.A N LEU 43.A O no hydrogen 2.893 N/A ASN 48.A N LEU 44.A O no hydrogen 2.853 N/A ASN 48.A ND2 LYS 53.A O no hydrogen 2.800 N/A HIS 51.A N ASN 48.A OD1 no hydrogen 3.126 N/A LYS 52.A N ASN 48.A O no hydrogen 2.708 N/A LYS 52.A NZ PRO 49.A O no hydrogen 2.676 N/A VAL 56.A N LEU 8.A O no hydrogen 3.002 N/A LEU 57.A N ILE 64.A O no hydrogen 2.990 N/A ILE 58.A N VAL 6.A O no hydrogen 2.811 N/A HIS 59.A N LYS 62.A O no hydrogen 2.853 N/A HIS 59.A ND1 TYR 73.A OH no hydrogen 2.618 N/A HIS 59.A NE2 ASP 3.A OD2 no hydrogen 2.748 N/A ASN 60.A N GLU 4.A O no hydrogen 2.833 N/A ASN 60.A ND2 ASP 3.A OD2 no hydrogen 3.339 N/A LYS 62.A N HIS 59.A O no hydrogen 3.060 N/A ILE 64.A N LEU 57.A O no hydrogen 2.751 N/A CYS 65.A SG MET 47.A O no hydrogen 3.605 N/A ALA 70.A N GLU 66.A O no hydrogen 2.901 N/A VAL 71.A N SER 67.A O no hydrogen 2.886 N/A GLN 72.A N LEU 68.A O no hydrogen 2.993 N/A GLN 72.A NE2 LEU 68.A O no hydrogen 2.997 N/A TYR 73.A N ILE 69.A O no hydrogen 2.921 N/A TYR 73.A OH HIS 59.A ND1 no hydrogen 2.618 N/A ILE 74.A N ALA 70.A O no hydrogen 2.908 N/A GLU 75.A N VAL 71.A O no hydrogen 2.946 N/A GLU 76.A N GLN 72.A O no hydrogen 2.947 N/A VAL 77.A N TYR 73.A O no hydrogen 2.882 N/A TRP 78.A N ILE 74.A O no hydrogen 2.976 N/A ARG 81.A NE LYS 26.A O no hydrogen 2.823 N/A ARG 81.A NH1 ASP 80.A OD1 no hydrogen 3.020 N/A ARG 81.A NH2 LYS 26.A O no hydrogen 2.933 N/A ASN 82.A ND2 GLU 25.A OE2 no hydrogen 3.030 N/A LEU 84.A N GLU 75.A OE1 no hydrogen 2.855 N/A LEU 84.A N GLU 75.A OE2 no hydrogen 3.222 N/A LEU 85.A N GLU 75.A OE2 no hydrogen 3.401 N/A GLN 91.A N ASP 88.A OD2 no hydrogen 3.017 N/A ARG 92.A N ASP 88.A O no hydrogen 2.849 N/A ARG 92.A NH1.A PRO 86.A O no hydrogen 2.815 N/A ARG 92.A NH1.B PRO 86.A O no hydrogen 2.849 N/A ARG 92.A NH1.B SER 87.A O no hydrogen 2.666 N/A ARG 92.A NH2.B SER 87.A O no hydrogen 3.512 N/A ALA 93.A N PRO 89.A O no hydrogen 2.909 N/A GLN 94.A N TYR 90.A O no hydrogen 2.975 N/A THR 95.A N GLN 91.A O no hydrogen 2.918 N/A THR 95.A OG1.A GLN 91.A O no hydrogen 2.881 N/A THR 95.A OG1.B ARG 92.A O no hydrogen 2.933 N/A ARG 96.A N ARG 92.A O no hydrogen 2.918 N/A PHE 97.A N ALA 93.A O no hydrogen 2.868 N/A TRP 98.A N GLN 94.A O no hydrogen 2.993 N/A ALA 99.A N THR 95.A O no hydrogen 2.972 N/A ASP 100.A N ARG 96.A O no hydrogen 2.913 N/A TYR 101.A N PHE 97.A O no hydrogen 2.931 N/A VAL 102.A N TRP 98.A O no hydrogen 2.958 N/A ASP 103.A N ALA 99.A O no hydrogen 2.939 N/A LYS 104.A N ASP 100.A O no hydrogen 2.902 N/A LYS 104.A NZ ASP 100.A OD2 no hydrogen 2.868 N/A LYS 105.A N TYR 101.A O no hydrogen 2.998 N/A LYS 105.A N VAL 102.A O no hydrogen 3.256 N/A ILE 106.A N VAL 102.A O no hydrogen 2.993 N/A LEU 109.A N LYS 105.A O no hydrogen 3.090 N/A GLY 110.A N ILE 106.A O no hydrogen 2.915 N/A ARG 111.A N TYR 107.A O no hydrogen 2.847 N/A LYS 112.A N ASP 108.A O no hydrogen 2.967 N/A ILE 113.A N LEU 109.A O no hydrogen 2.947 N/A CYS 114.A N GLY 110.A O no hydrogen 2.923 N/A CYS 114.A SG GLY 110.A O no hydrogen 3.427 N/A THR 115.A N LYS 112.A O no hydrogen 3.391 N/A THR 115.A OG1 ARG 111.A O no hydrogen 2.758 N/A SER 116.A N LYS 112.A O no hydrogen 2.862 N/A SER 116.A OG.A LYS 112.A O no hydrogen 3.186 N/A SER 116.A OG.A GLU 120.A OE2 no hydrogen 2.986 N/A SER 116.A OG.B LYS 112.A O no hydrogen 2.502 N/A LYS 117.A NZ GLU 219.A OXT no hydrogen 2.732 N/A LYS 121.A N LYS 117.A O no hydrogen 3.367 N/A LYS 121.A NZ PHE 170.A O no hydrogen 2.640 N/A GLU 122.A N GLY 118.A O no hydrogen 2.971 N/A ALA 123.A N GLU 119.A O no hydrogen 2.891 N/A ALA 124.A N GLU 120.A O no hydrogen 2.945 N/A LYS 125.A N LYS 121.A O no hydrogen 2.884 N/A LYS 125.A NZ GLU 122.A OE1 no hydrogen 3.244 N/A LYS 125.A NZ GLU 122.A OE2 no hydrogen 3.158 N/A LYS 125.A NZ GLY 171.A O no hydrogen 2.868 N/A LYS 126.A N GLU 122.A O no hydrogen 3.022 N/A GLU 127.A N ALA 123.A O no hydrogen 2.950 N/A PHE 128.A N ALA 124.A O no hydrogen 2.886 N/A ILE 129.A N LYS 125.A O no hydrogen 3.036 N/A GLU 130.A N LYS 126.A O no hydrogen 2.980 N/A ALA 131.A N GLU 127.A O no hydrogen 2.899 N/A LEU 132.A N PHE 128.A O no hydrogen 2.964 N/A LYS 133.A N ILE 129.A O no hydrogen 2.929 N/A LYS 133.A NZ GLU 178.A OE1 no hydrogen 3.309 N/A LEU 134.A N GLU 130.A O no hydrogen 2.960 N/A LEU 135.A N ALA 131.A O no hydrogen 2.968 N/A GLU 136.A N LEU 132.A O no hydrogen 2.879 N/A GLU 137.A N LYS 133.A O no hydrogen 2.977 N/A GLN 138.A N LEU 134.A O no hydrogen 3.044 N/A LEU 139.A N LEU 135.A O no hydrogen 2.910 N/A GLY 140.A N GLU 136.A O no hydrogen 3.071 N/A LYS 142.A N LEU 139.A O no hydrogen 3.245 N/A LYS 142.A NZ GLN 138.A O no hydrogen 3.169 N/A LYS 142.A NZ LEU 139.A O no hydrogen 2.828 N/A TYR 144.A N GLY 147.A O no hydrogen 2.905 N/A PHE 145.A N ASP 154.A OD1 no hydrogen 2.804 N/A GLY 146.A N ASP 154.A OD2 no hydrogen 2.885 N/A GLY 147.A N TYR 144.A O no hydrogen 2.881 N/A GLY 151.A N ASP 154.A OD2 no hydrogen 2.731 N/A PHE 152.A N LEU 84.A O no hydrogen 2.812 N/A ILE 155.A N.A GLY 151.A O no hydrogen 2.953 N/A ILE 155.A N.B GLY 151.A O no hydrogen 2.952 N/A ALA 156.A N PHE 152.A O no hydrogen 2.917 N/A LEU 157.A N VAL 153.A O no hydrogen 2.974 N/A LEU 157.A N ASP 154.A O no hydrogen 3.292 N/A VAL 158.A N ASP 154.A O no hydrogen 2.890 N/A PHE 160.A N LEU 157.A O no hydrogen 2.989 N/A TYR 161.A N VAL 158.A O no hydrogen 2.849 N/A THR 162.A N PRO 159.A O no hydrogen 3.073 N/A THR 162.A OG1 PRO 159.A O no hydrogen 2.740 N/A TRP 163.A N PHE 160.A O no hydrogen 2.939 N/A TRP 163.A NE1 PRO 12.A O no hydrogen 2.857 N/A PHE 164.A N TYR 161.A O no hydrogen 2.974 N/A LYS 165.A NZ GLN 203.A OE1 no hydrogen 2.636 N/A TYR 167.A N TRP 163.A O no hydrogen 2.917 N/A GLU 168.A N PHE 164.A O no hydrogen 2.866 N/A THR 169.A N LYS 165.A O no hydrogen 2.904 N/A THR 169.A OG1 LYS 165.A O no hydrogen 2.789 N/A PHE 170.A N ALA 166.A O no hydrogen 2.861 N/A GLY 171.A N TYR 167.A O no hydrogen 2.874 N/A LEU 173.A N GLU 168.A O no hydrogen 2.848 N/A ILE 175.A N GLU 168.A OE2 no hydrogen 2.723 N/A SER 177.A N ASN 174.A OD1 no hydrogen 3.130 N/A GLU 178.A N ASN 174.A O no hydrogen 3.159 N/A CYS 179.A N ILE 175.A O no hydrogen 2.698 N/A LYS 181.A NZ GLU 136.A O no hydrogen 2.913 N/A LYS 181.A NZ GLY 140.A O no hydrogen 3.030 N/A PHE 182.A N GLU 136.A OE2 no hydrogen 2.970 N/A VAL 183.A N CYS 179.A O no hydrogen 3.132 N/A ALA 184.A N PRO 180.A O no hydrogen 2.919 N/A TRP 185.A N LYS 181.A O no hydrogen 2.932 N/A TRP 185.A NE1 ASP 154.A OD1 no hydrogen 2.795 N/A ALA 186.A N PHE 182.A O no hydrogen 2.968 N/A LYS 187.A N VAL 183.A O no hydrogen 2.961 N/A ARG 188.A N ALA 184.A O no hydrogen 2.954 N/A ARG 188.A NE THR 143.A O no hydrogen 2.882 N/A ARG 188.A NH2 THR 143.A O no hydrogen 2.921 N/A CYS 189.A N TRP 185.A O no hydrogen 2.971 N/A CYS 189.A SG TRP 185.A O no hydrogen 3.530 N/A LEU 190.A N ALA 186.A O no hydrogen 2.944 N/A GLN 191.A N LYS 187.A O no hydrogen 3.094 N/A GLN 191.A N ARG 188.A O no hydrogen 3.053 N/A LYS 192.A N CYS 189.A O no hydrogen 2.935 N/A SER 194.A OG GLU 25.A OE1 no hydrogen 2.645 N/A VAL 195.A N LYS 192.A O no hydrogen 2.994 N/A ALA 196.A N LYS 192.A O no hydrogen 2.853 N/A LYS 197.A N GLU 193.A O no hydrogen 2.938 N/A SER 198.A N VAL 195.A O no hydrogen 2.991 N/A SER 198.A OG SER 194.A O no hydrogen 2.693 N/A GLN 203.A N ASP 201.A OD1.B no hydrogen 2.630 N/A GLN 203.A NE2 GLU 207.A OE2 no hydrogen 3.316 N/A LYS 204.A N ASP 201.A O no hydrogen 2.954 N/A VAL 205.A N ASP 201.A O no hydrogen 3.146 N/A TYR 206.A N GLN 202.A O no hydrogen 2.896 N/A GLU 207.A N GLN 203.A O no hydrogen 2.923 N/A PHE 208.A N LYS 204.A O no hydrogen 2.960 N/A ILE 209.A N VAL 205.A O no hydrogen 2.898 N/A MET 210.A N TYR 206.A O no hydrogen 2.859 N/A ASP 211.A N GLU 207.A O no hydrogen 3.016 N/A LEU 212.A N PHE 208.A O no hydrogen 2.957 N/A ARG 213.A N ILE 209.A O no hydrogen 2.848 N/A ARG 213.A NE CYS 114.A O no hydrogen 2.625 N/A LYS 214.A N MET 210.A O no hydrogen 3.050 N/A LYS 215.A N ASP 211.A O no hydrogen 2.903 N/A LEU 216.A N LEU 212.A O no hydrogen 2.915 N/A GLY 217.A N LYS 214.A O no hydrogen 3.071 N/A ILE 218.A N ARG 213.A O no hydrogen 2.863 N/A