Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4f0b_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 6.A N THR 71.A O no hydrogen 2.970 N/A HIS 7.A N GLU 35.A O no hydrogen 2.733 N/A TYR 8.A N ALA 69.A O no hydrogen 2.807 N/A THR 9.A N VAL 37.A O no hydrogen 2.954 N/A THR 9.A OG1 ALA 10.A O no hydrogen 3.436 N/A THR 9.A OG1 GLY 15.A O no hydrogen 2.834 N/A ALA 10.A N THR 9.A OG1 no hydrogen 2.776 N/A THR 12.A OG1 ALA 10.A O no hydrogen 3.349 N/A GLY 15.A N THR 12.A OG1 no hydrogen 2.884 N/A TRP 16.A N THR 12.A O no hydrogen 2.997 N/A VAL 17.A N ASN 14.A O no hydrogen 3.298 N/A ILE 20.A N TRP 16.A O no hydrogen 3.001 N/A LEU 21.A N VAL 17.A O no hydrogen 3.114 N/A LEU 22.A N PRO 18.A O no hydrogen 2.875 N/A GLU 23.A N ALA 19.A O no hydrogen 2.945 N/A GLU 24.A N ILE 20.A O no hydrogen 2.897 N/A LEU 25.A N LEU 21.A O no hydrogen 2.833 N/A LYS 26.A N LEU 22.A O no hydrogen 2.882 N/A LYS 26.A NZ GLU 23.A OE1 no hydrogen 3.533 N/A LYS 26.A NZ GLU 23.A OE2 no hydrogen 2.838 N/A ALA 27.A N GLU 23.A O no hydrogen 3.029 N/A VAL 28.A N GLU 24.A O no hydrogen 3.239 N/A VAL 28.A N LEU 25.A O no hydrogen 3.155 N/A TYR 29.A N LEU 25.A O no hydrogen 2.797 N/A TYR 29.A OH ASP 92.A OD1 no hydrogen 2.620 N/A GLY 30.A N LYS 26.A O no hydrogen 2.871 N/A TYR 34.A OH GLU 23.A OE2 no hydrogen 2.623 N/A GLU 35.A N VAL 5.A O no hydrogen 2.974 N/A VAL 37.A N HIS 7.A O no hydrogen 2.857 N/A LYS 38.A NZ ASN 220.A O no hydrogen 2.754 N/A MET 39.A N THR 9.A O no hydrogen 2.805 N/A SER 40.A N ASN 51.A O no hydrogen 2.828 N/A SER 40.A OG ASP 45.A OD2 no hydrogen 2.666 N/A ARG 42.A N SER 40.A OG no hydrogen 3.121 N/A ARG 42.A NE ASP 45.A OD2 no hydrogen 2.953 N/A ARG 42.A NH1 ASP 45.A OD1 no hydrogen 2.932 N/A ASP 45.A N ARG 42.A O no hydrogen 2.997 N/A ILE 46.A N ASP 43.A O no hydrogen 3.120 N/A LYS 48.A N.A ASP 45.A O no hydrogen 2.917 N/A LYS 48.A N.B ASP 45.A O no hydrogen 2.893 N/A HIS 50.A ND1 ASN 51.A OD1 no hydrogen 3.091 N/A GLN 52.A N HIS 50.A O no hydrogen 2.977 N/A GLN 52.A NE2 ARG 42.A O no hydrogen 3.007 N/A VAL 53.A N SER 40.A O no hydrogen 3.093 N/A LYS 54.A N GLN 52.A OE1 no hydrogen 2.832 N/A LYS 54.A NZ ASN 64.A O no hydrogen 3.394 N/A LYS 54.A NZ GLY 65.A O no hydrogen 2.799 N/A SER 55.A N.A GLN 52.A O no hydrogen 3.040 N/A SER 55.A N.B GLN 52.A O no hydrogen 3.051 N/A SER 55.A OG.A HIS 50.A O no hydrogen 3.082 N/A SER 55.A OG.A GLN 52.A O no hydrogen 3.067 N/A TRP 57.A NE1 HIS 50.A O no hydrogen 2.903 N/A PHE 58.A N SER 55.A O.A no hydrogen 2.991 N/A PHE 58.A N SER 55.A O.B no hydrogen 2.837 N/A LEU 59.A N SER 55.A O.A no hydrogen 3.183 N/A LEU 59.A N SER 55.A O.B no hydrogen 3.262 N/A LEU 59.A N ASP 56.A O no hydrogen 3.057 N/A LYS 60.A N TRP 57.A O no hydrogen 3.373 N/A ILE 61.A N PHE 58.A O no hydrogen 2.852 N/A CYS 62.A N PHE 58.A O no hydrogen 2.833 N/A CYS 62.A SG ARG 66.A O no hydrogen 3.252 N/A GLY 65.A N CYS 62.A O no hydrogen 2.934 N/A ALA 69.A N TYR 8.A O no hydrogen 3.048 N/A ILE 70.A N VAL 77.A O no hydrogen 2.865 N/A THR 71.A N VAL 6.A O no hydrogen 3.000 N/A HIS 72.A N PHE 75.A O no hydrogen 2.871 N/A HIS 72.A ND1 TYR 86.A OH no hydrogen 2.677 N/A GLU 73.A N PRO 4.A O no hydrogen 3.135 N/A PHE 75.A N HIS 72.A O no hydrogen 2.895 N/A VAL 77.A N ILE 70.A O no hydrogen 2.872 N/A SER 81.A OG HIS 119.A ND1 no hydrogen 2.841 N/A ILE 83.A N GLU 79.A O no hydrogen 2.943 N/A LEU 84.A N THR 80.A O no hydrogen 2.963 N/A LEU 85.A N SER 81.A O no hydrogen 2.982 N/A TYR 86.A N ALA 82.A O no hydrogen 2.883 N/A TYR 86.A OH HIS 72.A ND1 no hydrogen 2.677 N/A LEU 87.A N ILE 83.A O no hydrogen 2.897 N/A ALA 88.A N LEU 84.A O no hydrogen 2.941 N/A GLN 89.A N LEU 85.A O no hydrogen 2.930 N/A HIS 90.A N.A TYR 86.A O no hydrogen 3.006 N/A HIS 90.A N.B TYR 86.A O no hydrogen 3.015 N/A HIS 90.A ND1.A TYR 86.A O no hydrogen 2.923 N/A PHE 91.A N LEU 87.A O no hydrogen 2.833 N/A ASP 92.A N ALA 88.A O no hydrogen 2.879 N/A LYS 93.A NZ GLN 89.A O no hydrogen 2.996 N/A GLU 94.A N TYR 29.A OH no hydrogen 2.926 N/A ASN 95.A N ASP 92.A O no hydrogen 2.924 N/A ASN 95.A ND2 SER 98.A O no hydrogen 3.058 N/A ALA 96.A N ASP 92.A OD1 no hydrogen 2.880 N/A PHE 97.A N ASP 92.A OD2 no hydrogen 2.827 N/A SER 98.A OG ASP 92.A OD2 no hydrogen 2.693 N/A ARG 99.A N.A GLU 111.A OE1.B no hydrogen 2.916 N/A ARG 99.A N.A GLU 111.A OE2.A no hydrogen 3.023 N/A ARG 99.A N.B GLU 111.A OE1.B no hydrogen 2.899 N/A ARG 99.A N.B GLU 111.A OE2.A no hydrogen 3.010 N/A ARG 99.A NH1.B ASP 104.A OD2 no hydrogen 3.082 N/A ARG 99.A NH2.A LEU 169.A O no hydrogen 3.136 N/A ARG 99.A NH2.A THR 171.A O no hydrogen 3.272 N/A VAL 102.A N ASP 100.A OD2 no hydrogen 2.904 N/A LYS 103.A N ASP 100.A OD2 no hydrogen 2.878 N/A ASP 104.A N ASP 100.A O no hydrogen 2.885 N/A GLY 107.A N ASP 104.A OD1 no hydrogen 2.948 N/A TYR 108.A N ASP 104.A O no hydrogen 2.844 N/A SER 109.A N PRO 105.A O no hydrogen 2.922 N/A GLU 110.A N LYS 106.A O no hydrogen 2.935 N/A GLU 111.A N.A GLY 107.A O no hydrogen 2.926 N/A GLU 111.A N.B GLY 107.A O no hydrogen 2.936 N/A LEU 112.A N TYR 108.A O no hydrogen 2.933 N/A GLN 113.A N SER 109.A O no hydrogen 2.807 N/A GLN 113.A NE2 SER 109.A OG no hydrogen 3.021 N/A TRP 114.A N GLU 110.A O no hydrogen 2.998 N/A LEU 115.A N GLU 111.A O.A no hydrogen 2.938 N/A LEU 115.A N GLU 111.A O.B no hydrogen 2.989 N/A PHE 116.A N LEU 112.A O no hydrogen 2.805 N/A PHE 117.A N GLN 113.A O no hydrogen 2.823 N/A ALA 118.A N TRP 114.A O no hydrogen 3.042 N/A HIS 119.A N LEU 115.A O no hydrogen 2.826 N/A HIS 119.A ND1 SER 81.A OG no hydrogen 2.841 N/A HIS 119.A NE2 GLU 79.A OE1 no hydrogen 2.743 N/A GLY 120.A N PHE 116.A O no hydrogen 2.863 N/A GLY 123.A N ALA 118.A O no hydrogen 2.915 N/A MET 125.A N GLY 121.A O no hydrogen 2.905 N/A GLN 126.A N ILE 122.A O no hydrogen 2.821 N/A GLN 126.A NE2 TRP 182.A O no hydrogen 3.046 N/A GLN 126.A NE2 THR 189.A OG1 no hydrogen 2.965 N/A GLY 127.A N GLY 123.A O no hydrogen 2.883 N/A GLN 128.A N PRO 124.A O no hydrogen 2.991 N/A GLN 128.A NE2 PRO 124.A O no hydrogen 2.959 N/A ALA 129.A N MET 125.A O no hydrogen 2.909 N/A ASN 130.A N GLN 126.A O no hydrogen 2.856 N/A HIS 131.A N GLY 127.A O no hydrogen 2.897 N/A PHE 132.A N GLN 128.A O no hydrogen 2.950 N/A ASN 133.A N ALA 129.A O no hydrogen 2.817 N/A ASN 133.A ND2 THR 189.A O no hydrogen 2.948 N/A LEU 134.A N ASN 130.A O no hydrogen 2.820 N/A TYR 135.A N HIS 131.A O no hydrogen 3.041 N/A ALA 136.A N HIS 131.A O no hydrogen 2.757 N/A LYS 139.A NZ ASN 133.A O no hydrogen 3.036 N/A ILE 144.A N ILE 140.A O no hydrogen 2.986 N/A ASN 145.A N.A PRO 141.A O no hydrogen 2.867 N/A ASN 145.A N.B PRO 141.A O no hydrogen 2.895 N/A ARG 146.A N TYR 142.A O no hydrogen 2.891 N/A ARG 146.A NE TYR 147.A OH no hydrogen 3.316 N/A TYR 147.A N ALA 143.A O no hydrogen 3.068 N/A LEU 148.A N ILE 144.A O no hydrogen 2.909 N/A ASN 149.A N ASN 145.A O.A no hydrogen 2.944 N/A ASN 149.A N ASN 145.A O.B no hydrogen 2.820 N/A GLU 150.A N ARG 146.A O no hydrogen 2.879 N/A SER 151.A N TYR 147.A O no hydrogen 2.916 N/A SER 151.A OG TYR 147.A O no hydrogen 2.881 N/A LYS 152.A N LEU 148.A O no hydrogen 2.891 N/A ARG 153.A N ASN 149.A O no hydrogen 2.958 N/A ARG 153.A NE GLU 150.A OE1 no hydrogen 3.021 N/A ARG 153.A NE GLU 150.A OE2 no hydrogen 3.303 N/A ARG 153.A NH2 GLU 150.A OE2 no hydrogen 2.847 N/A LEU 154.A N GLU 150.A O no hydrogen 2.944 N/A TYR 155.A N SER 151.A O no hydrogen 2.820 N/A TYR 155.A OH GLN 126.A OE1 no hydrogen 2.660 N/A ARG 156.A N LYS 152.A O no hydrogen 2.891 N/A ARG 156.A NH1 GLU 195.A O no hydrogen 3.025 N/A ARG 156.A NH2 GLU 195.A O no hydrogen 2.953 N/A VAL 157.A N ARG 153.A O no hydrogen 3.109 N/A LEU 158.A N LEU 154.A O no hydrogen 3.049 N/A ASP 159.A N TYR 155.A O no hydrogen 2.765 N/A ASP 160.A N ARG 156.A O no hydrogen 2.913 N/A ARG 161.A N VAL 157.A O no hydrogen 3.024 N/A ARG 161.A NE ILE 168.A O no hydrogen 2.908 N/A ARG 161.A NH2 ILE 168.A O no hydrogen 2.873 N/A LEU 162.A N LEU 158.A O no hydrogen 2.900 N/A LYS 163.A N ASP 159.A O no hydrogen 3.071 N/A LYS 163.A N ASP 160.A O no hydrogen 3.227 N/A ARG 165.A N LEU 162.A O no hydrogen 2.846 N/A ILE 168.A N ASP 176.A OD1 no hydrogen 2.897 N/A GLY 170.A N TYR 167.A O no hydrogen 3.137 N/A THR 171.A N LEU 169.A O no hydrogen 3.089 N/A TYR 172.A OH GLU 24.A OE2 no hydrogen 2.764 N/A GLY 173.A N ASP 176.A OD2 no hydrogen 2.896 N/A ILE 174.A N PHE 97.A O no hydrogen 2.873 N/A ILE 177.A N GLY 173.A O no hydrogen 3.025 N/A LYS 178.A N ILE 174.A O no hydrogen 3.013 N/A LYS 178.A NZ ASN 14.A OD1 no hydrogen 3.012 N/A LYS 178.A NZ THR 80.A OG1 no hydrogen 2.778 N/A ILE 179.A N ALA 175.A O no hydrogen 3.388 N/A PHE 180.A N ASP 176.A O no hydrogen 2.819 N/A GLY 181.A N ILE 177.A O no hydrogen 3.455 N/A TRP 182.A N ILE 179.A O no hydrogen 2.992 N/A TRP 182.A NE1 ASN 14.A OD1 no hydrogen 3.005 N/A ALA 183.A N ILE 179.A O no hydrogen 2.863 N/A ARG 184.A N PHE 180.A O no hydrogen 2.998 N/A ARG 184.A NE GLU 207.A OE1 no hydrogen 2.885 N/A ARG 184.A NH2 GLU 207.A OE1 no hydrogen 3.401 N/A ARG 184.A NH2 GLU 207.A OE2 no hydrogen 2.791 N/A ILE 185.A N TRP 182.A O no hydrogen 3.094 N/A ALA 186.A N ALA 183.A O no hydrogen 3.010 N/A THR 189.A N ILE 185.A O no hydrogen 2.997 N/A THR 189.A OG1 ASN 130.A OD1 no hydrogen 2.717 N/A THR 189.A OG1 ILE 185.A O no hydrogen 3.292 N/A GLY 190.A N ALA 186.A O no hydrogen 2.966 N/A LEU 191.A N ALA 186.A O no hydrogen 2.998 N/A ASP 194.A N ASP 192.A OD1 no hydrogen 2.979 N/A GLU 195.A N ASP 192.A O no hydrogen 2.911 N/A PHE 196.A N LEU 193.A O no hydrogen 2.921 N/A ASN 198.A ND2 ASP 159.A OD2 no hydrogen 2.918 N/A VAL 199.A N ASP 159.A OD1 no hydrogen 2.942 N/A LYS 200.A N.A PHE 196.A O no hydrogen 2.875 N/A LYS 200.A N.B PHE 196.A O no hydrogen 2.872 N/A LYS 200.A NZ.A ASP 194.A OD1 no hydrogen 2.603 N/A LYS 200.A NZ.B GLU 204.A OE2 no hydrogen 2.992 N/A ALA 201.A N PRO 197.A O no hydrogen 3.094 N/A TRP 202.A N ASN 198.A O no hydrogen 3.060 N/A TRP 202.A NE1 ASP 176.A OD1 no hydrogen 2.849 N/A VAL 203.A N VAL 199.A O no hydrogen 2.878 N/A GLU 204.A N LYS 200.A O.A no hydrogen 3.016 N/A GLU 204.A N LYS 200.A O.B no hydrogen 3.069 N/A ARG 205.A N ALA 201.A O no hydrogen 3.009 N/A ARG 205.A NH2 GLU 166.A O no hydrogen 2.881 N/A ILE 206.A N TRP 202.A O no hydrogen 3.131 N/A GLU 207.A N VAL 203.A O no hydrogen 2.835 N/A LYS 208.A N GLU 204.A O no hydrogen 3.261 N/A ARG 209.A N ILE 206.A O no hydrogen 3.008 N/A ARG 209.A NE GLU 24.A OE2 no hydrogen 2.766 N/A ARG 209.A NH2 GLU 24.A OE1 no hydrogen 2.955 N/A GLN 213.A N ARG 209.A O no hydrogen 3.138 N/A GLN 213.A NE2 GLU 207.A O no hydrogen 2.839 N/A GLN 213.A NE2 GLU 207.A OE2 no hydrogen 2.866 N/A ALA 214.A N PRO 210.A O no hydrogen 2.911 N/A GLY 215.A N ALA 211.A O no hydrogen 2.875 N/A ILE 216.A N VAL 212.A O no hydrogen 2.924 N/A ASN 217.A N GLN 213.A O no hydrogen 2.896 N/A SER 218.A N ALA 214.A O no hydrogen 3.056 N/A SER 218.A N GLY 215.A O no hydrogen 3.213 N/A SER 218.A OG GLY 215.A O no hydrogen 2.683 N/A CYS 219.A N ILE 216.A O no hydrogen 3.182 N/A CYS 219.A SG GLY 15.A O no hydrogen 3.599 N/A CYS 219.A SG GLY 215.A O no hydrogen 3.664 N/A ASN 220.A N ASN 217.A O no hydrogen 3.211 N/A