Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4u2f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N VAL 40.A O no hydrogen 2.796 N/A THR 3.A N ALA 18.A O no hydrogen 2.866 N/A THR 3.A OG1 VAL 20.A O no hydrogen 3.530 N/A ILE 6.A N THR 3.A O no hydrogen 3.268 N/A ILE 8.A N PHE 16.A O no hydrogen 2.907 N/A GLN 9.A NE2 GLY 13.A O no hydrogen 2.794 N/A SER 10.A N HIS 14.A O no hydrogen 2.817 N/A SER 10.A OG ASP 99.A OD1 no hydrogen 2.729 N/A GLY 13.A N SER 10.A O no hydrogen 3.084 N/A HIS 14.A N ASP 12.A OD1 no hydrogen 3.224 N/A PHE 16.A N ILE 8.A O no hydrogen 2.928 N/A LEU 19.A N CYS 60.A O no hydrogen 2.946 N/A VAL 20.A N THR 3.A OG1 no hydrogen 2.813 N/A GLY 21.A N ALA 58.A O no hydrogen 2.876 N/A ALA 28.A N TYR 112.A O no hydrogen 2.734 N/A VAL 30.A N LYS 116.A O no hydrogen 3.136 N/A ILE 31.A N ALA 57.A O no hydrogen 2.841 N/A VAL 32.A N GLY 118.A O no hydrogen 2.791 N/A ILE 33.A N VAL 59.A O no hydrogen 2.795 N/A ALA 34.A N VAL 120.A O no hydrogen 2.833 N/A HIS 35.A ND1 GLU 36.A O no hydrogen 2.746 N/A GLY 39.A N GLU 36.A O no hydrogen 3.351 N/A VAL 40.A N THR 71.A O no hydrogen 3.023 N/A ASN 41.A ND2 LEU 73.A O no hydrogen 2.863 N/A PHE 43.A N ASN 41.A OD1 no hydrogen 3.207 N/A MET 44.A N ASN 41.A OD1 no hydrogen 3.394 N/A ARG 45.A N ASN 41.A O no hydrogen 2.977 N/A GLU 46.A N ALA 42.A O no hydrogen 2.967 N/A THR 47.A N PHE 43.A O no hydrogen 2.943 N/A THR 47.A OG1 PHE 43.A O no hydrogen 2.849 N/A VAL 48.A N MET 44.A O no hydrogen 2.897 N/A SER 49.A N ARG 45.A O no hydrogen 3.032 N/A SER 49.A OG.A ARG 45.A O no hydrogen 3.249 N/A TRP 50.A N GLU 46.A O no hydrogen 2.910 N/A LEU 51.A N THR 47.A O no hydrogen 3.012 N/A VAL 52.A N VAL 48.A O no hydrogen 2.976 N/A ASP 53.A N SER 49.A O no hydrogen 2.932 N/A GLN 54.A N LEU 51.A O no hydrogen 3.024 N/A GLY 55.A N VAL 52.A O no hydrogen 3.156 N/A TYR 56.A N LEU 51.A O no hydrogen 2.999 N/A ALA 57.A N PRO 29.A O no hydrogen 3.021 N/A ALA 58.A N GLY 21.A O no hydrogen 2.955 N/A VAL 59.A N ILE 31.A O no hydrogen 2.861 N/A CYS 60.A N LEU 19.A O no hydrogen 2.805 N/A CYS 60.A SG ILE 33.A O no hydrogen 3.594 N/A ASP 62.A N GLY 17.A O no hydrogen 2.794 N/A LEU 63.A N HIS 35.A NE2 no hydrogen 3.090 N/A HIS 64.A NE2 ILE 37.A O no hydrogen 2.976 N/A ALA 65.A N ASP 62.A O no hydrogen 3.327 N/A ARG 66.A NE ASP 99.A OD2 no hydrogen 2.995 N/A ARG 66.A NH1 ASP 12.A OD2 no hydrogen 2.881 N/A ARG 66.A NH2 ASP 12.A OD1 no hydrogen 3.069 N/A ARG 66.A NH2 ASP 12.A OD2 no hydrogen 3.566 N/A ARG 66.A NH2 ASP 99.A OD1 no hydrogen 2.770 N/A GLN 67.A N HIS 64.A O no hydrogen 2.867 N/A ALA 68.A N HIS 64.A O no hydrogen 2.812 N/A GLY 70.A N ASP 62.A OD2 no hydrogen 2.813 N/A THR 71.A OG1 ALA 68.A O no hydrogen 2.961 N/A LEU 73.A N LEU 38.A O no hydrogen 2.803 N/A ASP 74.A N GLN 80.A OE1 no hydrogen 2.771 N/A GLN 76.A N ASP 74.A OD1 no hydrogen 2.861 N/A ASP 77.A N ASP 74.A O no hydrogen 3.148 N/A ALA 79.A N ASP 77.A OD1 no hydrogen 2.888 N/A GLN 80.A NE2 ASP 77.A OD2 no hydrogen 3.072 N/A ARG 81.A N ASP 77.A O no hydrogen 2.830 N/A ARG 81.A NH1.A PRO 75.A O no hydrogen 2.839 N/A ARG 81.A NH1.B PRO 75.A O no hydrogen 3.030 N/A GLU 82.A N GLU 78.A O no hydrogen 2.868 N/A GLN 83.A N ALA 79.A O no hydrogen 3.075 N/A ALA 84.A N GLN 80.A O no hydrogen 2.960 N/A TYR 85.A N ARG 81.A O no hydrogen 2.895 N/A LYS 86.A N GLU 82.A O no hydrogen 3.100 N/A LEU 87.A N GLN 83.A O no hydrogen 2.930 N/A TRP 88.A N ALA 84.A O no hydrogen 2.867 N/A GLN 89.A N TYR 85.A O no hydrogen 2.957 N/A ALA 90.A N LYS 86.A O no hydrogen 3.311 N/A PHE 91.A N TRP 88.A O no hydrogen 2.946 N/A ALA 95.A N ASP 92.A OD1 no hydrogen 3.000 N/A GLY 96.A N ASP 92.A O no hydrogen 2.945 N/A VAL 97.A N MET 93.A O no hydrogen 2.905 N/A GLY 98.A N GLU 94.A O no hydrogen 2.992 N/A ASP 99.A N ALA 95.A O no hydrogen 2.872 N/A LEU 100.A N GLY 96.A O no hydrogen 2.876 N/A GLU 101.A N VAL 97.A O no hydrogen 2.802 N/A ALA 102.A N GLY 98.A O no hydrogen 2.952 N/A ALA 103.A N ASP 99.A O no hydrogen 2.864 N/A ILE 104.A N LEU 100.A O no hydrogen 2.894 N/A ARG 105.A N GLU 101.A O no hydrogen 3.067 N/A TYR 106.A N ALA 102.A O no hydrogen 2.956 N/A ALA 107.A N ALA 103.A O no hydrogen 2.801 N/A ARG 108.A N ILE 104.A O no hydrogen 2.878 N/A ARG 108.A NH1 ASP 139.A OD2 no hydrogen 3.437 N/A ARG 108.A NH2 CYS 137.A O no hydrogen 2.777 N/A HIS 109.A N ARG 105.A O no hydrogen 3.327 N/A HIS 109.A N TYR 106.A O no hydrogen 3.156 N/A LEU 110.A N ALA 107.A O no hydrogen 3.257 N/A SER 113.A N LEU 110.A O no hydrogen 3.079 N/A SER 113.A OG ARG 108.A O no hydrogen 3.379 N/A ASN 114.A N ALA 28.A O no hydrogen 2.906 N/A ASN 114.A ND2 LEU 231.A O no hydrogen 2.858 N/A ASN 114.A ND2 SER 233.A OG no hydrogen 3.000 N/A GLY 115.A N SER 113.A OG no hydrogen 2.900 N/A LYS 116.A N ASN 114.A OD1 no hydrogen 3.022 N/A VAL 117.A N ASP 139.A OD2 no hydrogen 2.874 N/A GLY 118.A N VAL 30.A O no hydrogen 2.905 N/A LEU 119.A N ARG 140.A O no hydrogen 3.021 N/A VAL 120.A N VAL 32.A O no hydrogen 2.915 N/A GLY 121.A N VAL 142.A O no hydrogen 2.817 N/A TYR 122.A N ALA 34.A O no hydrogen 3.084 N/A SER 123.A N TYR 144.A O no hydrogen 2.828 N/A LEU 124.A N SER 123.A OG no hydrogen 2.190 N/A GLY 125.A N TYR 122.A O no hydrogen 2.878 N/A GLY 126.A N SER 123.A O no hydrogen 2.660 N/A ALA 127.A N SER 123.A O no hydrogen 3.269 N/A LEU 128.A N LEU 124.A O no hydrogen 3.064 N/A ALA 129.A N GLY 125.A O no hydrogen 2.860 N/A PHE 130.A N GLY 126.A O no hydrogen 3.378 N/A LEU 131.A N ALA 127.A O no hydrogen 3.253 N/A VAL 132.A N LEU 128.A O no hydrogen 2.882 N/A ALA 133.A N ALA 129.A O no hydrogen 2.876 N/A ALA 134.A N PHE 130.A O no hydrogen 2.919 N/A LYS 135.A N LEU 131.A O no hydrogen 3.170 N/A GLY 136.A N VAL 132.A O no hydrogen 2.975 N/A CYS 137.A SG GLU 101.A OE2 no hydrogen 3.278 N/A CYS 137.A SG VAL 132.A O no hydrogen 4.024 N/A ASP 139.A N VAL 117.A O no hydrogen 2.961 N/A ARG 140.A NH1 PHE 227.A O no hydrogen 2.836 N/A ALA 141.A N PRO 162.A O no hydrogen 3.298 N/A VAL 142.A N LEU 119.A O no hydrogen 2.768 N/A GLY 143.A N LEU 164.A O no hydrogen 2.866 N/A TYR 144.A N GLY 121.A O no hydrogen 2.778 N/A TYR 144.A OH ASN 221.A OD1 no hydrogen 2.755 N/A TYR 144.A OH THR 224.A OG1 no hydrogen 2.652 N/A CYS 145.A N HIS 166.A O no hydrogen 2.878 N/A CYS 145.A SG HIS 166.A O no hydrogen 4.015 N/A CYS 145.A SG HIS 202.A O no hydrogen 3.026 N/A GLU 150.A N GLU 150.A OE1 no hydrogen 2.865 N/A LYS 151.A N GLY 148.A O no hydrogen 3.030 N/A GLN 152.A N LEU 149.A O no hydrogen 3.004 N/A LYS 155.A N GLN 152.A O no hydrogen 2.996 N/A VAL 156.A N LEU 153.A O no hydrogen 3.075 N/A GLU 158.A N LYS 155.A O no hydrogen 2.922 N/A VAL 159.A N VAL 156.A O no hydrogen 3.172 N/A ALA 163.A N LEU 191.A O no hydrogen 2.948 N/A LEU 164.A N ALA 141.A O no hydrogen 2.921 N/A PHE 165.A N GLN 193.A O no hydrogen 2.775 N/A HIS 166.A N GLY 143.A O no hydrogen 2.923 N/A HIS 166.A NE2 THR 224.A OG1 no hydrogen 2.832 N/A MET 167.A N HIS 195.A O no hydrogen 2.806 N/A GLY 169.A N TYR 197.A O no hydrogen 2.791 N/A GLN 170.A N ALA 200.A O no hydrogen 2.793 N/A PHE 173.A N ASP 171.A OD1 no hydrogen 2.945 N/A VAL 174.A N ASP 171.A O no hydrogen 2.845 N/A ARG 179.A N PRO 175.A O no hydrogen 2.938 N/A ARG 179.A NH1 GLU 198.A OE1 no hydrogen 3.001 N/A ARG 179.A NH1 GLU 198.A OE2 no hydrogen 3.454 N/A ARG 179.A NH2 GLU 198.A OE2 no hydrogen 2.730 N/A GLN 180.A N ALA 176.A O no hydrogen 2.972 N/A LEU 181.A N PRO 177.A O no hydrogen 2.963 N/A ILE 182.A N SER 178.A O no hydrogen 2.903 N/A THR 183.A N ARG 179.A O no hydrogen 2.834 N/A THR 183.A OG1 ARG 179.A O no hydrogen 2.732 N/A GLU 184.A N GLN 180.A O no hydrogen 2.924 N/A GLY 185.A N LEU 181.A O no hydrogen 2.843 N/A PHE 186.A N ILE 182.A O no hydrogen 2.822 N/A GLY 187.A N THR 183.A O no hydrogen 3.194 N/A ALA 188.A N GLY 185.A O no hydrogen 3.373 N/A ASN 189.A N PHE 186.A O no hydrogen 3.102 N/A ASN 189.A ND2 VAL 156.A O no hydrogen 2.894 N/A ASN 189.A ND2 VAL 159.A O no hydrogen 3.068 N/A LEU 191.A N ASN 189.A OD1 no hydrogen 2.941 N/A LEU 192.A N ASN 189.A O no hydrogen 2.903 N/A GLN 193.A N ALA 163.A O no hydrogen 2.892 N/A HIS 195.A N PHE 165.A O no hydrogen 2.827 N/A HIS 195.A NE2 GLN 193.A OE1 no hydrogen 2.836 N/A TYR 197.A N MET 167.A O no hydrogen 2.886 N/A TYR 197.A OH HIS 166.A ND1 no hydrogen 2.756 N/A ALA 200.A N TYR 197.A O no hydrogen 3.221 N/A HIS 202.A ND1 ASP 171.A OD2 no hydrogen 2.746 N/A SER 203.A N ASP 211.A OD2 no hydrogen 2.769 N/A ARG 206.A N SER 203.A O no hydrogen 3.073 N/A ARG 206.A NH1 GLU 36.A OE2 no hydrogen 2.622 N/A THR 207.A OG1 GLU 46.A OE1.A no hydrogen 2.513 N/A THR 207.A OG1 GLU 46.A OE1.B no hydrogen 3.086 N/A THR 207.A OG1 GLU 46.A OE2.A no hydrogen 2.856 N/A SER 209.A N ARG 206.A O no hydrogen 3.066 N/A ASP 211.A N SER 209.A OG no hydrogen 2.881 N/A TYR 212.A N SER 209.A O no hydrogen 3.028 N/A VAL 213.A N PHE 204.A O no hydrogen 3.044 N/A ALA 217.A N VAL 213.A O no hydrogen 2.866 N/A ALA 218.A N ALA 214.A O no hydrogen 2.814 N/A LEU 219.A N SER 215.A O no hydrogen 3.072 N/A ALA 220.A N ALA 216.A O no hydrogen 2.930 N/A ASN 221.A N ALA 217.A O no hydrogen 2.808 N/A GLU 222.A N ALA 218.A O no hydrogen 2.889 N/A ARG 223.A N LEU 219.A O no hydrogen 2.952 N/A ARG 223.A NH1 TYR 197.A OH no hydrogen 2.972 N/A THR 224.A N ALA 220.A O no hydrogen 2.792 N/A THR 224.A OG1 TYR 144.A OH no hydrogen 2.652 N/A THR 224.A OG1 HIS 166.A NE2 no hydrogen 2.832 N/A THR 224.A OG1 ALA 220.A O no hydrogen 3.108 N/A LEU 225.A N ASN 221.A O no hydrogen 2.936 N/A ASP 226.A N GLU 222.A O no hydrogen 2.949 N/A PHE 227.A N ARG 223.A O no hydrogen 2.944 N/A LEU 228.A N THR 224.A O no hydrogen 2.913 N/A ALA 229.A N LEU 225.A O no hydrogen 2.957 N/A LEU 231.A N LEU 228.A O no hydrogen 2.929 N/A GLN 232.A N ALA 229.A O no hydrogen 2.836 N/A GLN 232.A NE2 GLN 54.A O no hydrogen 2.870 N/A