Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1fdr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N VAL 86.A O no hydrogen 2.795 N/A GLY 6.A N VAL 84.A O no hydrogen 2.754 N/A LYS 7.A N HIS 24.A O no hydrogen 2.946 N/A LYS 7.A NZ GLY 81.A O no hydrogen 2.687 N/A LYS 7.A NZ GLU 83.A OE2 no hydrogen 3.340 N/A VAL 8.A N ASP 82.A O no hydrogen 2.903 N/A THR 9.A N THR 22.A O no hydrogen 2.729 N/A THR 9.A OG1 THR 22.A O no hydrogen 2.941 N/A LYS 10.A N THR 22.A O no hydrogen 3.150 N/A GLN 12.A N SER 20.A O no hydrogen 2.815 N/A TRP 14.A N LEU 18.A O no hydrogen 2.831 N/A TRP 14.A NE1 SER 20.A OG no hydrogen 2.793 N/A THR 15.A N LEU 18.A O no hydrogen 3.206 N/A ALA 17.A N THR 15.A OG1 no hydrogen 3.085 N/A LEU 18.A N THR 15.A OG1 no hydrogen 2.916 N/A PHE 19.A N LEU 63.A O no hydrogen 2.995 N/A SER 20.A N GLN 12.A O no hydrogen 2.675 N/A SER 20.A OG PHE 61.A O no hydrogen 3.542 N/A SER 20.A OG TYR 147.A OH no hydrogen 2.789 N/A LEU 21.A N PHE 61.A O no hydrogen 2.842 N/A THR 22.A N LYS 10.A O no hydrogen 2.970 N/A VAL 23.A N LEU 59.A O no hydrogen 2.766 N/A HIS 24.A N LYS 7.A O no hydrogen 2.924 N/A HIS 24.A NE2 ASP 58.A OD1 no hydrogen 2.718 N/A VAL 27.A N ALA 25.A O no hydrogen 2.728 N/A LEU 28.A N SER 88.A O no hydrogen 2.966 N/A THR 31.A N GLN 34.A OE1 no hydrogen 2.811 N/A GLN 34.A N THR 31.A O no hydrogen 2.978 N/A GLN 34.A NE2 GLY 92.A O no hydrogen 3.115 N/A PHE 35.A N ALA 91.A O no hydrogen 2.844 N/A THR 36.A N TYR 48.A O no hydrogen 3.025 N/A THR 36.A OG1 VAL 87.A O no hydrogen 2.599 N/A LYS 37.A N THR 36.A OG1 no hydrogen 2.846 N/A LEU 38.A N ARG 46.A O no hydrogen 2.828 N/A GLY 39.A N GLN 85.A O no hydrogen 2.884 N/A LEU 40.A N VAL 44.A O no hydrogen 3.036 N/A ARG 43.A NH1 GLN 85.A OE1 no hydrogen 2.814 N/A VAL 44.A N LEU 40.A O no hydrogen 2.741 N/A ARG 46.A N LEU 38.A O no hydrogen 2.990 N/A ARG 46.A NH1 GLN 45.A O no hydrogen 2.936 N/A TYR 48.A N THR 36.A O no hydrogen 2.835 N/A SER 49.A OG TYR 243.A OH no hydrogen 2.734 N/A TYR 50.A N GLN 34.A O no hydrogen 3.161 N/A VAL 51.A N GLU 60.A O no hydrogen 2.910 N/A ASN 52.A ND2 SER 53.A O no hydrogen 3.093 N/A ASN 52.A ND2 ASN 56.A O no hydrogen 3.028 N/A ASN 56.A N SER 53.A O no hydrogen 2.853 N/A ASP 58.A N ASN 56.A OD1 no hydrogen 3.012 N/A LEU 59.A N VAL 23.A O no hydrogen 2.995 N/A GLU 60.A N ASN 52.A OD1 no hydrogen 2.993 N/A PHE 61.A N LEU 21.A O no hydrogen 2.822 N/A TYR 62.A OH SER 146.A OG no hydrogen 2.672 N/A LEU 63.A N PHE 19.A O no hydrogen 2.858 N/A THR 65.A N ALA 17.A O no hydrogen 2.859 N/A THR 65.A OG1 ALA 17.A O no hydrogen 3.567 N/A VAL 66.A N SER 72.A OG no hydrogen 2.894 N/A GLY 69.A N VAL 66.A O no hydrogen 2.773 N/A SER 72.A OG VAL 66.A O no hydrogen 3.494 N/A ARG 74.A NH1 LYS 70.A O no hydrogen 2.924 N/A LEU 75.A N LEU 71.A O no hydrogen 2.960 N/A ALA 76.A N SER 72.A O no hydrogen 2.922 N/A ALA 77.A N ARG 74.A O no hydrogen 3.073 N/A LEU 78.A N LEU 75.A O no hydrogen 3.052 N/A LYS 79.A N ASP 82.A OD2 no hydrogen 2.671 N/A LYS 79.A NZ ALA 77.A O no hydrogen 3.044 N/A GLY 81.A N VAL 8.A O no hydrogen 2.683 N/A ASP 82.A N LYS 79.A O no hydrogen 2.972 N/A VAL 84.A N GLY 6.A O no hydrogen 2.991 N/A GLN 85.A N GLY 39.A O no hydrogen 2.980 N/A GLN 85.A NE2 VAL 4.A O no hydrogen 3.698 N/A VAL 86.A N VAL 4.A O no hydrogen 2.900 N/A VAL 87.A N LYS 37.A O no hydrogen 3.129 N/A SER 88.A N ASP 2.A O no hydrogen 3.010 N/A SER 88.A OG ASP 2.A O no hydrogen 3.474 N/A SER 88.A OG ASP 2.A OD2 no hydrogen 3.071 N/A ALA 91.A N PHE 35.A O no hydrogen 2.901 N/A GLU 98.A N VAL 95.A O no hydrogen 2.961 N/A VAL 99.A N LEU 96.A O no hydrogen 2.702 N/A CYS 102.A SG PRO 100.A O no hydrogen 3.945 N/A CYS 102.A SG THR 104.A O no hydrogen 3.588 N/A THR 104.A N THR 202.A O no hydrogen 2.922 N/A LEU 105.A N ASN 132.A O no hydrogen 2.833 N/A TRP 106.A N HIS 204.A O no hydrogen 2.878 N/A TRP 106.A NE1 SER 203.A OG no hydrogen 3.038 N/A MET 107.A N VAL 134.A O no hydrogen 2.633 N/A LEU 108.A N MET 206.A O no hydrogen 2.882 N/A ALA 109.A N VAL 136.A O no hydrogen 2.953 N/A THR 110.A N CYS 208.A O no hydrogen 3.302 N/A GLY 111.A N ALA 138.A O no hydrogen 2.877 N/A ALA 113.A N THR 110.A O no hydrogen 2.903 N/A GLY 115.A N THR 112.A O no hydrogen 3.509 N/A TYR 117.A OH LEU 108.A O no hydrogen 3.008 N/A LEU 118.A N ILE 114.A O no hydrogen 3.161 N/A SER 119.A N GLY 115.A O no hydrogen 3.081 N/A SER 119.A OG ASN 52.A O no hydrogen 2.712 N/A ILE 120.A N PRO 116.A O no hydrogen 3.084 N/A LEU 121.A N TYR 117.A O no hydrogen 2.900 N/A ARG 122.A N LEU 118.A O no hydrogen 2.941 N/A ARG 122.A NH1 VAL 51.A O no hydrogen 2.862 N/A ARG 122.A NH1 GLU 60.A OE1 no hydrogen 3.021 N/A LEU 123.A N SER 119.A O no hydrogen 3.026 N/A GLY 124.A N ILE 120.A O no hydrogen 2.934 N/A ARG 129.A NH1 VAL 99.A O no hydrogen 2.887 N/A ARG 129.A NH1 PRO 100.A O no hydrogen 3.166 N/A ARG 129.A NH2 VAL 99.A O no hydrogen 2.735 N/A PHE 130.A N LEU 127.A O no hydrogen 3.067 N/A ASN 132.A N GLU 103.A O no hydrogen 2.761 N/A ASN 132.A ND2 THR 104.A OG1 no hydrogen 2.961 N/A LEU 133.A N LYS 161.A O no hydrogen 2.974 N/A VAL 134.A N LEU 105.A O no hydrogen 2.822 N/A LEU 135.A N ARG 163.A O no hydrogen 2.805 N/A VAL 136.A N MET 107.A O no hydrogen 2.797 N/A HIS 137.A N GLN 165.A O no hydrogen 3.034 N/A HIS 137.A NE2 GLY 111.A O no hydrogen 2.660 N/A ALA 138.A N ALA 109.A O no hydrogen 2.919 N/A ALA 139.A N VAL 167.A O no hydrogen 2.978 N/A ALA 142.A N GLU 171.A OE2 no hydrogen 2.907 N/A ASP 144.A N TYR 141.A O no hydrogen 2.912 N/A LEU 145.A N ALA 142.A O no hydrogen 3.231 N/A SER 146.A OG TYR 62.A OH no hydrogen 2.672 N/A SER 146.A OG ASP 144.A O no hydrogen 3.384 N/A TYR 147.A OH SER 20.A OG no hydrogen 2.789 N/A TYR 147.A OH GLU 60.A OE2 no hydrogen 2.586 N/A LEU 148.A N LEU 145.A O no hydrogen 3.270 N/A MET 151.A N TYR 147.A O no hydrogen 2.888 N/A GLN 152.A N LEU 148.A O no hydrogen 2.908 N/A GLU 153.A N PRO 149.A O no hydrogen 3.048 N/A LEU 154.A N LEU 150.A O no hydrogen 2.913 N/A GLU 155.A N MET 151.A O no hydrogen 2.905 N/A LYS 156.A N GLN 152.A O no hydrogen 3.196 N/A LYS 156.A NZ GLN 152.A O no hydrogen 3.275 N/A ARG 157.A N GLU 153.A O no hydrogen 2.922 N/A ARG 157.A NH1 ARG 122.A O no hydrogen 2.943 N/A ARG 157.A NH2 ARG 122.A O no hydrogen 3.105 N/A TYR 158.A N LEU 154.A O no hydrogen 2.894 N/A TYR 158.A OH LEU 121.A O no hydrogen 2.660 N/A GLU 159.A N LYS 156.A O no hydrogen 3.074 N/A LYS 161.A N TYR 158.A O no hydrogen 3.034 N/A LYS 161.A NZ LEU 127.A O no hydrogen 2.885 N/A LYS 161.A NZ PHE 130.A O no hydrogen 2.609 N/A ARG 163.A N LEU 133.A O no hydrogen 2.861 N/A ARG 163.A NH1 ILE 194.A O no hydrogen 2.804 N/A GLN 165.A N LEU 135.A O no hydrogen 2.948 N/A GLN 165.A NE2 THR 166.A O no hydrogen 2.967 N/A GLN 165.A NE2 GLY 175.A O no hydrogen 3.479 N/A THR 166.A OG1 SER 176.A OG no hydrogen 2.819 N/A VAL 167.A N HIS 137.A O no hydrogen 2.916 N/A VAL 168.A N LEU 177.A O no hydrogen 2.918 N/A SER 169.A N ALA 139.A O no hydrogen 3.080 N/A ARG 170.A N ARG 140.A O no hydrogen 2.909 N/A SER 176.A N ALA 173.A O no hydrogen 3.045 N/A SER 176.A OG THR 166.A OG1 no hydrogen 2.819 N/A LEU 177.A N THR 166.A O no hydrogen 3.071 N/A THR 178.A OG1 GLU 171.A O no hydrogen 2.981 N/A GLY 179.A N VAL 168.A O no hydrogen 2.785 N/A LEU 184.A N ARG 180.A O no hydrogen 3.195 N/A ILE 185.A N ILE 181.A O no hydrogen 3.075 N/A GLU 186.A N PRO 182.A O no hydrogen 3.044 N/A SER 187.A N ALA 183.A O no hydrogen 2.946 N/A SER 187.A OG ALA 183.A O no hydrogen 3.300 N/A SER 187.A OG LEU 184.A O no hydrogen 3.468 N/A SER 187.A OG GLU 189.A OE2 no hydrogen 2.636 N/A GLY 188.A N ILE 185.A O no hydrogen 2.972 N/A LEU 190.A N LEU 184.A O no hydrogen 3.082 N/A SER 192.A N GLY 188.A O no hydrogen 3.134 N/A SER 192.A OG GLY 188.A O no hydrogen 2.624 N/A THR 193.A N GLU 189.A O no hydrogen 2.903 N/A THR 193.A OG1 GLU 189.A O no hydrogen 2.595 N/A ILE 194.A N LEU 190.A O no hydrogen 2.692 N/A GLY 195.A N GLU 191.A O no hydrogen 2.589 N/A LEU 196.A N GLU 191.A O no hydrogen 3.146 N/A MET 198.A N GLU 191.A OE2 no hydrogen 2.814 N/A ASN 199.A N SER 203.A OG no hydrogen 3.370 N/A LYS 200.A NZ GLN 226.A O no hydrogen 2.844 N/A THR 202.A N ASN 199.A O no hydrogen 3.211 N/A THR 202.A N ASN 199.A OD1 no hydrogen 2.803 N/A THR 202.A OG1 ASN 199.A OD1 no hydrogen 2.870 N/A THR 202.A OG1 SER 203.A OG no hydrogen 3.119 N/A SER 203.A N ASN 199.A O no hydrogen 2.889 N/A SER 203.A OG ASN 199.A O no hydrogen 3.491 N/A SER 203.A OG THR 202.A OG1 no hydrogen 3.119 N/A HIS 204.A N THR 104.A O no hydrogen 3.114 N/A HIS 204.A NE2 THR 239.A OG1 no hydrogen 2.785 N/A VAL 205.A N HIS 237.A O no hydrogen 2.732 N/A MET 206.A N TRP 106.A O no hydrogen 2.732 N/A LEU 207.A N THR 239.A O no hydrogen 2.777 N/A CYS 208.A N LEU 108.A O no hydrogen 3.049 N/A CYS 208.A SG ALA 113.A O no hydrogen 3.553 N/A CYS 208.A SG GLU 241.A O no hydrogen 3.430 N/A CYS 208.A SG GLU 241.A OE1 no hydrogen 3.893 N/A GLY 209.A N GLU 241.A O no hydrogen 3.003 N/A ASN 210.A N THR 110.A OG1 no hydrogen 2.948 N/A GLN 212.A N ASN 210.A OD1 no hydrogen 2.905 N/A VAL 214.A N ASN 210.A O no hydrogen 3.132 N/A ARG 215.A N PRO 211.A O no hydrogen 2.809 N/A ASP 216.A N GLN 212.A O no hydrogen 2.813 N/A THR 217.A N MET 213.A O no hydrogen 2.834 N/A THR 217.A OG1 MET 213.A O no hydrogen 2.857 N/A GLN 218.A N VAL 214.A O no hydrogen 2.893 N/A GLN 219.A N ARG 215.A O no hydrogen 2.971 N/A GLN 219.A NE2 GLU 223.A OE2 no hydrogen 3.526 N/A LEU 220.A N ASP 216.A O no hydrogen 2.951 N/A LEU 221.A N THR 217.A O no hydrogen 2.919 N/A LYS 222.A N GLN 218.A O no hydrogen 3.047 N/A GLU 223.A N GLN 219.A O no hydrogen 3.090 N/A THR 224.A N LEU 220.A O no hydrogen 2.911 N/A THR 224.A OG1 LEU 220.A O no hydrogen 2.882 N/A ARG 225.A N LEU 221.A O no hydrogen 2.982 N/A ARG 225.A NH1 GLU 191.A OE1 no hydrogen 2.997 N/A ARG 225.A NH1 GLU 191.A OE2 no hydrogen 2.875 N/A ARG 225.A NH1 MET 198.A O no hydrogen 2.916 N/A ARG 225.A NH2 GLU 191.A OE1 no hydrogen 3.097 N/A MET 227.A N LEU 221.A O no hydrogen 2.983 N/A THR 228.A N HIS 237.A ND1 no hydrogen 2.910 N/A THR 228.A OG1 HIS 237.A ND1 no hydrogen 3.118 N/A LYS 229.A NZ GLN 218.A OE1 no hydrogen 3.007 N/A HIS 230.A N MET 238.A O no hydrogen 2.845 N/A HIS 230.A NE2 GLU 98.A O no hydrogen 3.010 N/A LEU 231.A N ARG 234.A O no hydrogen 2.841 N/A ARG 232.A NE GLU 98.A OE1 no hydrogen 2.962 N/A ARG 232.A NH2 GLU 98.A OE1 no hydrogen 3.471 N/A ARG 232.A NH2 GLU 98.A OE2 no hydrogen 2.817 N/A ARG 234.A N LEU 231.A O no hydrogen 2.988 N/A ARG 234.A NH2 LYS 229.A O no hydrogen 2.706 N/A GLY 236.A N HIS 230.A ND1 no hydrogen 2.871 N/A HIS 237.A N THR 228.A O no hydrogen 2.744 N/A MET 238.A N THR 228.A O no hydrogen 2.922 N/A THR 239.A N VAL 205.A O no hydrogen 2.829 N/A THR 239.A OG1 HIS 204.A NE2 no hydrogen 2.785 N/A GLU 241.A N LEU 207.A O no hydrogen 2.817 N/A TYR 243.A N GLY 209.A O no hydrogen 2.957 N/A TYR 243.A OH SER 49.A OG no hydrogen 2.734 N/A