Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pg4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N THR 15.A O no hydrogen 2.889 N/A ARG 5.A N GLN 13.A O no hydrogen 2.990 N/A GLN 6.A NE2 ALA 8.A O no hydrogen 3.318 N/A GLN 6.A NE2 PRO 9.A O no hydrogen 3.205 N/A LEU 7.A N VAL 11.A O no hydrogen 2.759 N/A ALA 8.A N VAL 11.A O no hydrogen 3.189 N/A ASN 10.A ND2 ARG 34.A O no hydrogen 3.178 N/A VAL 11.A N ALA 8.A O no hydrogen 2.964 N/A TRP 12.A N ILE 32.A O no hydrogen 2.891 N/A GLN 13.A N ARG 5.A O no hydrogen 2.653 N/A HIS 14.A N GLY 30.A O no hydrogen 2.872 N/A HIS 14.A NE2 ASP 43.A O no hydrogen 2.916 N/A THR 15.A N VAL 3.A O no hydrogen 2.732 N/A THR 15.A OG1 ASN 29.A OD1 no hydrogen 2.542 N/A SER 16.A N SER 28.A O no hydrogen 3.020 N/A LEU 18.A N VAL 26.A O no hydrogen 2.940 N/A MET 20.A N GLY 24.A O no hydrogen 2.831 N/A PHE 23.A N MET 20.A O no hydrogen 2.766 N/A GLY 24.A N MET 20.A O no hydrogen 2.813 N/A VAL 26.A N LEU 18.A O no hydrogen 2.840 N/A SER 28.A N SER 16.A O no hydrogen 2.918 N/A SER 28.A OG ASP 77.A O no hydrogen 3.147 N/A ASN 29.A N SER 202.A O no hydrogen 2.704 N/A ASN 29.A ND2 MET 201.A O no hydrogen 3.050 N/A GLY 30.A N HIS 14.A O no hydrogen 2.848 N/A LEU 31.A N VAL 42.A O no hydrogen 3.006 N/A ILE 32.A N TRP 12.A O no hydrogen 2.816 N/A VAL 33.A N LEU 40.A O no hydrogen 2.792 N/A ARG 34.A N ASN 10.A O no hydrogen 2.900 N/A ASP 35.A N ARG 38.A O no hydrogen 2.675 N/A ARG 38.A N ASP 35.A O no hydrogen 2.924 N/A ARG 38.A NH1 ASN 129.A O no hydrogen 2.959 N/A ARG 38.A NH2 ASP 35.A OD2 no hydrogen 2.568 N/A ARG 38.A NH2 ASN 129.A O no hydrogen 3.062 N/A VAL 39.A N PRO 65.A O no hydrogen 2.932 N/A LEU 40.A N VAL 33.A O no hydrogen 2.728 N/A VAL 41.A N LEU 68.A O no hydrogen 2.948 N/A VAL 42.A N LEU 31.A O no hydrogen 2.931 N/A ASP 43.A N VAL 70.A O no hydrogen 2.668 N/A THR 44.A N LYS 78.A O no hydrogen 3.159 N/A THR 44.A OG1 ALA 45.A O no hydrogen 2.879 N/A THR 44.A OG1 LYS 78.A O no hydrogen 2.989 N/A ALA 45.A N THR 51.A OG1 no hydrogen 2.962 N/A TRP 46.A N SER 16.A OG no hydrogen 3.328 N/A TRP 46.A NE1 SER 16.A O no hydrogen 3.030 N/A TRP 46.A NE1 VAL 26.A O no hydrogen 3.069 N/A THR 47.A N GLN 50.A OE1 no hydrogen 3.147 N/A GLN 50.A N THR 47.A OG1 no hydrogen 3.120 N/A GLN 50.A NE2 TYR 17.A O no hydrogen 3.051 N/A THR 51.A N THR 47.A O no hydrogen 2.849 N/A THR 51.A OG1 THR 47.A O no hydrogen 2.881 N/A ALA 52.A N ASP 48.A O no hydrogen 2.834 N/A GLN 53.A N ASP 49.A O no hydrogen 3.027 N/A ILE 54.A N GLN 50.A O no hydrogen 2.900 N/A LEU 55.A N THR 51.A O no hydrogen 3.137 N/A ASN 56.A N ALA 52.A O no hydrogen 2.989 N/A TRP 57.A N GLN 53.A O no hydrogen 2.881 N/A ILE 58.A N ILE 54.A O no hydrogen 2.947 N/A LYS 59.A N LEU 55.A O no hydrogen 2.982 N/A GLN 60.A N ASN 56.A O no hydrogen 2.897 N/A GLU 61.A N TRP 57.A O no hydrogen 2.788 N/A ILE 62.A N ILE 58.A O no hydrogen 2.713 N/A ASN 63.A N ILE 58.A O no hydrogen 2.843 N/A ALA 67.A N VAL 39.A O no hydrogen 2.984 N/A ALA 69.A N ALA 91.A O no hydrogen 3.019 N/A VAL 70.A N VAL 41.A O no hydrogen 2.757 N/A VAL 71.A N TYR 93.A O no hydrogen 2.892 N/A THR 72.A N ASP 43.A OD1 no hydrogen 2.683 N/A THR 72.A OG1 ASP 43.A OD1 no hydrogen 3.291 N/A THR 72.A OG1 ASP 43.A OD2 no hydrogen 2.842 N/A ALA 74.A N ASP 145.A OD2 no hydrogen 3.035 N/A LYS 78.A N HIS 75.A O no hydrogen 2.894 N/A LYS 78.A NZ SER 28.A OG no hydrogen 2.643 N/A LYS 78.A NZ ASN 29.A O no hydrogen 2.780 N/A LYS 78.A NZ SER 202.A O no hydrogen 3.450 N/A MET 79.A N HIS 75.A O no hydrogen 2.760 N/A GLY 81.A N THR 44.A OG1 no hydrogen 3.034 N/A ALA 84.A N ASP 48.A OD1 no hydrogen 3.100 N/A LEU 85.A N GLY 81.A O no hydrogen 3.336 N/A HIS 86.A N MET 82.A O no hydrogen 3.130 N/A HIS 86.A NE2 THR 92.A OG1 no hydrogen 2.681 N/A ALA 87.A N ASP 83.A O no hydrogen 2.907 N/A ALA 88.A N ALA 84.A O no hydrogen 3.250 N/A ALA 88.A N LEU 85.A O no hydrogen 3.016 N/A GLY 89.A N HIS 86.A O no hydrogen 2.878 N/A ILE 90.A N LEU 85.A O no hydrogen 3.031 N/A THR 92.A OG1 HIS 86.A NE2 no hydrogen 2.681 N/A TYR 93.A N ALA 69.A O no hydrogen 2.870 N/A ALA 94.A N HIS 112.A O no hydrogen 3.088 N/A ASN 95.A ND2 LEU 114.A O no hydrogen 3.517 N/A ALA 96.A N LEU 114.A O no hydrogen 2.879 N/A SER 98.A OG ASP 145.A OD2 no hydrogen 2.392 N/A ASN 99.A N ASN 95.A O no hydrogen 3.027 N/A GLN 100.A N ALA 96.A O no hydrogen 3.122 N/A GLN 100.A NE2 ALA 96.A O no hydrogen 3.020 N/A LEU 101.A N LEU 97.A O no hydrogen 3.057 N/A LEU 101.A N SER 98.A O no hydrogen 2.963 N/A ALA 102.A N SER 98.A O no hydrogen 2.755 N/A GLU 105.A N LEU 101.A O no hydrogen 3.191 N/A GLY 106.A N PRO 103.A O no hydrogen 2.719 N/A MET 107.A N ALA 102.A O no hydrogen 2.531 N/A GLN 111.A N THR 92.A OG1 no hydrogen 2.923 N/A HIS 112.A N THR 92.A O no hydrogen 2.857 N/A SER 113.A OG ASN 99.A OD1 no hydrogen 2.852 N/A LEU 114.A N ALA 94.A O no hydrogen 2.710 N/A THR 115.A OG1 GLU 123.A OE1 no hydrogen 2.503 N/A ALA 117.A N TRP 121.A O no hydrogen 2.909 N/A GLY 120.A N ALA 117.A O no hydrogen 2.975 N/A TRP 121.A N ASN 119.A OD1 no hydrogen 3.240 N/A VAL 122.A N VAL 135.A O no hydrogen 3.196 N/A GLU 123.A N THR 115.A O no hydrogen 2.922 N/A THR 126.A N GLU 123.A O no hydrogen 2.790 N/A THR 126.A OG1 GLU 123.A O no hydrogen 2.757 N/A ALA 127.A N PRO 124.A O no hydrogen 2.995 N/A LEU 133.A N PHE 130.A O no hydrogen 3.018 N/A LYS 134.A N GLY 150.A O no hydrogen 2.758 N/A PHE 136.A N THR 148.A O no hydrogen 2.833 N/A TYR 137.A N GLY 120.A O no hydrogen 2.706 N/A TYR 137.A OH SER 144.A O no hydrogen 2.663 N/A GLY 141.A N THR 143.A O no hydrogen 2.937 N/A HIS 142.A N ASN 146.A OD1 no hydrogen 2.907 N/A THR 143.A N ASN 146.A OD1 no hydrogen 3.422 N/A THR 143.A OG1 ASP 145.A OD1 no hydrogen 2.664 N/A ASN 146.A ND2 GLY 139.A O no hydrogen 3.091 N/A ASN 146.A ND2 ASN 146.A O no hydrogen 2.586 N/A ILE 147.A N THR 72.A O no hydrogen 2.946 N/A THR 148.A N PHE 136.A O no hydrogen 2.840 N/A THR 148.A OG1 PHE 136.A O no hydrogen 2.978 N/A VAL 149.A N PHE 158.A O no hydrogen 3.029 N/A GLY 150.A N LYS 134.A O no hydrogen 2.803 N/A ILE 151.A N ILE 156.A O no hydrogen 3.194 N/A ASP 152.A N PRO 132.A O no hydrogen 2.856 N/A THR 154.A N ILE 151.A O no hydrogen 3.175 N/A THR 154.A OG1 ILE 151.A O no hydrogen 2.643 N/A ILE 156.A N THR 154.A OG1 no hydrogen 3.062 N/A ALA 157.A N MET 198.A O no hydrogen 3.034 N/A PHE 158.A N VAL 149.A O no hydrogen 2.682 N/A GLY 159.A N VAL 200.A O no hydrogen 2.797 N/A CYS 161.A SG HIS 73.A NE2 no hydrogen 3.414 N/A CYS 161.A SG ASP 77.A OD2 no hydrogen 3.558 N/A CYS 161.A SG HIS 203.A NE2 no hydrogen 3.806 N/A LEU 162.A N GLY 159.A O no hydrogen 3.196 N/A LYS 164.A N THR 215.A OG1 no hydrogen 2.833 N/A LYS 164.A NZ CYS 161.A O no hydrogen 2.562 N/A SER 166.A N ASP 207.A OD2 no hydrogen 2.885 N/A SER 166.A OG ASP 207.A OD2 no hydrogen 2.805 N/A LYS 167.A N ASP 165.A OD2 no hydrogen 2.979 N/A LYS 167.A NZ SER 166.A OG no hydrogen 2.905 N/A ALA 168.A N ASP 165.A O no hydrogen 2.961 N/A GLY 172.A N SER 170.A OG no hydrogen 3.162 N/A ALA 177.A N LEU 174.A O no hydrogen 3.159 N/A ASP 178.A N GLY 141.A O no hydrogen 2.915 N/A THR 179.A OG1 HIS 227.A NE2 no hydrogen 2.422 N/A HIS 181.A N ASP 178.A OD1 no hydrogen 2.877 N/A HIS 181.A ND1 ASP 178.A OD1 no hydrogen 2.955 N/A TYR 182.A N ASP 178.A O no hydrogen 2.912 N/A TYR 182.A OH LEU 162.A O no hydrogen 2.599 N/A SER 185.A N HIS 181.A O no hydrogen 3.048 N/A SER 185.A OG PRO 138.A O no hydrogen 3.357 N/A SER 185.A OG PRO 140.A O no hydrogen 2.527 N/A SER 185.A OG HIS 181.A O no hydrogen 3.066 N/A ALA 186.A N TYR 182.A O no hydrogen 2.922 N/A ARG 187.A N ALA 183.A O no hydrogen 2.987 N/A ARG 187.A NH1 ASP 220.A OD2 no hydrogen 2.762 N/A ARG 187.A NH2 ASP 220.A OD1 no hydrogen 3.041 N/A ARG 187.A NH2 ASP 220.A OD2 no hydrogen 3.540 N/A ALA 188.A N ALA 184.A O no hydrogen 2.822 N/A PHE 189.A N SER 185.A O no hydrogen 3.086 N/A GLY 190.A N ALA 186.A O no hydrogen 3.115 N/A ALA 191.A N ARG 187.A O no hydrogen 2.887 N/A ALA 192.A N ALA 188.A O no hydrogen 2.793 N/A PHE 193.A N PHE 189.A O no hydrogen 3.209 N/A ALA 196.A N PHE 193.A O no hydrogen 3.265 N/A SER 197.A N ASP 155.A O no hydrogen 2.883 N/A MET 198.A N ASP 155.A O no hydrogen 2.915 N/A ILE 199.A N ASP 207.A O no hydrogen 2.853 N/A VAL 200.A N ALA 157.A O no hydrogen 2.899 N/A SER 202.A N GLY 160.A O no hydrogen 2.911 N/A HIS 203.A ND1 ALA 27.A O no hydrogen 2.954 N/A SER 204.A OG ASP 165.A OD1 no hydrogen 3.188 N/A ASP 207.A N ILE 199.A O no hydrogen 2.907 N/A SER 208.A N ASP 207.A OD1 no hydrogen 2.615 N/A ARG 209.A NH1 PHE 193.A O no hydrogen 2.843 N/A ARG 209.A NH1 ALA 196.A O no hydrogen 2.936 N/A ARG 209.A NH2 GLY 190.A O no hydrogen 2.912 N/A ALA 210.A N SER 208.A OG no hydrogen 3.116 N/A ALA 211.A N SER 208.A O no hydrogen 3.049 N/A ILE 212.A N ARG 209.A O no hydrogen 2.985 N/A THR 213.A N ARG 209.A O no hydrogen 3.243 N/A HIS 214.A N ALA 210.A O no hydrogen 2.887 N/A HIS 214.A NE2 ALA 168.A O no hydrogen 2.765 N/A THR 215.A N ALA 211.A O no hydrogen 2.883 N/A THR 215.A OG1 ALA 211.A O no hydrogen 2.736 N/A ALA 216.A N ILE 212.A O no hydrogen 2.908 N/A ARG 217.A N THR 213.A O no hydrogen 2.982 N/A MET 218.A N HIS 214.A O no hydrogen 3.083 N/A ALA 219.A N THR 215.A O no hydrogen 2.928 N/A ASP 220.A N ALA 216.A O no hydrogen 2.886 N/A LYS 221.A N ARG 217.A O no hydrogen 3.183 N/A LEU 222.A N MET 218.A O no hydrogen 2.941 N/A ARG 223.A N ALA 219.A O no hydrogen 2.949 N/A ARG 223.A NE GLU 180.A OE2 no hydrogen 2.611 N/A LEU 224.A N ASP 220.A O no hydrogen 3.455 N/A GLU 225.A N LYS 221.A O no hydrogen 3.015 N/A HIS 227.A N ARG 223.A O no hydrogen 2.967 N/A HIS 227.A NE2 THR 179.A OG1 no hydrogen 2.422 N/A HIS 228.A N LEU 224.A O no hydrogen 3.171 N/A