Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pgv_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG LEU 3.A O no hydrogen 2.961 N/A THR 15.A N LYS 12.A O no hydrogen 3.141 N/A CYS 17.A SG GLY 35.A O no hydrogen 3.505 N/A ARG 18.A NE ASP 20.A OD2 no hydrogen 2.925 N/A ARG 18.A NH1 GLU 34.A O no hydrogen 2.858 N/A ARG 18.A NH2 ASP 20.A OD1 no hydrogen 2.838 N/A ARG 18.A NH2 ASP 20.A OD2 no hydrogen 3.460 N/A ARG 18.A NH2 VAL 261.A O no hydrogen 3.007 N/A THR 25.A N ALA 29.A O no hydrogen 2.804 N/A THR 25.A OG1 ALA 29.A O no hydrogen 3.558 N/A TRP 27.A N THR 25.A OG1 no hydrogen 3.249 N/A TRP 27.A NE1 PRO 241.A O no hydrogen 2.706 N/A LEU 28.A N THR 25.A O no hydrogen 2.934 N/A ALA 29.A N THR 25.A OG1 no hydrogen 3.061 N/A ILE 31.A N VAL 23.A O no hydrogen 2.899 N/A VAL 32.A N VAL 244.A O no hydrogen 2.845 N/A TRP 33.A NE1 LEU 22.A O no hydrogen 2.941 N/A GLU 34.A N GLU 248.A OE1 no hydrogen 2.672 N/A GLU 34.A N GLU 248.A OE2 no hydrogen 3.162 N/A THR 36.A N TRP 33.A O no hydrogen 3.087 N/A THR 36.A OG1 TRP 33.A O no hydrogen 2.709 N/A ILE 41.A N ASN 38.A OD1 no hydrogen 3.154 N/A LEU 42.A N ASN 38.A O no hydrogen 3.267 N/A ASN 43.A N ILE 39.A O no hydrogen 2.778 N/A GLU 44.A N ASP 40.A O no hydrogen 3.052 N/A GLN 45.A N ILE 41.A O no hydrogen 3.019 N/A PHE 46.A N LEU 42.A O no hydrogen 3.021 N/A ARG 47.A N ASN 43.A O no hydrogen 2.873 N/A ARG 47.A NH2 ASN 50.A OD1.B no hydrogen 2.970 N/A LEU 48.A N GLU 44.A O no hydrogen 3.022 N/A GLN 49.A N PHE 46.A O no hydrogen 3.165 N/A GLN 49.A NE2 GLN 45.A O no hydrogen 3.557 N/A ASN 50.A N.A ARG 47.A O no hydrogen 2.811 N/A ASN 50.A N.B ARG 47.A O no hydrogen 2.786 N/A THR 51.A N PHE 46.A O no hydrogen 3.279 N/A THR 51.A OG1 PHE 46.A O no hydrogen 2.753 N/A THR 52.A N ASP 131.A OD2 no hydrogen 2.821 N/A ILE 53.A N ARG 83.A O no hydrogen 2.777 N/A GLY 54.A N TYR 132.A O no hydrogen 2.834 N/A LEU 55.A N HIS 85.A O no hydrogen 2.916 N/A THR 56.A N VAL 134.A O no hydrogen 2.763 N/A THR 56.A OG1 VAL 134.A O no hydrogen 3.309 N/A VAL 57.A N TYR 87.A O no hydrogen 3.013 N/A ALA 59.A N PHE 89.A O no hydrogen 2.808 N/A LYS 61.A N ASP 91.A OD1 no hydrogen 3.058 N/A LYS 61.A N ASP 91.A OD2 no hydrogen 3.115 N/A TYR 63.A N ILE 60.A O no hydrogen 2.969 N/A VAL 64.A N LYS 61.A O no hydrogen 3.406 N/A ALA 65.A N LYS 62.A O no hydrogen 3.248 N/A PHE 66.A N TYR 63.A O no hydrogen 2.983 N/A LEU 67.A N VAL 64.A O no hydrogen 3.248 N/A LYS 68.A NZ GLU 72.A OE1 no hydrogen 3.496 N/A LYS 68.A NZ GLU 72.A OE2 no hydrogen 2.695 N/A PHE 70.A N PHE 66.A O no hydrogen 3.094 N/A LEU 71.A N LEU 67.A O no hydrogen 2.880 N/A GLU 72.A N LYS 68.A O no hydrogen 2.919 N/A THR 73.A N LEU 69.A O no hydrogen 3.046 N/A THR 73.A OG1 LEU 69.A O no hydrogen 2.813 N/A THR 73.A OG1 PHE 70.A O no hydrogen 3.183 N/A ALA 74.A N PHE 70.A O no hydrogen 2.962 N/A GLU 75.A N LEU 71.A O no hydrogen 2.969 N/A HIS 77.A N ALA 74.A O no hydrogen 3.186 N/A PHE 78.A N ALA 74.A O no hydrogen 2.803 N/A MET 79.A N VAL 146.A O no hydrogen 2.831 N/A HIS 82.A N MET 79.A O no hydrogen 2.970 N/A HIS 82.A NE2 ASN 43.A OD1 no hydrogen 2.856 N/A ARG 83.A NE ASN 50.A OD1.B no hydrogen 2.893 N/A VAL 84.A N GLY 104.A O no hydrogen 3.197 N/A HIS 85.A N ILE 53.A O no hydrogen 2.920 N/A HIS 85.A NE2 SER 108.A OG no hydrogen 2.688 N/A TYR 86.A N GLN 106.A O no hydrogen 2.736 N/A TYR 86.A OH GLU 75.A OE2 no hydrogen 2.620 N/A TYR 87.A N LEU 55.A O no hydrogen 2.677 N/A TYR 87.A OH GLU 129.A OE1 no hydrogen 2.672 N/A VAL 88.A N SER 108.A O no hydrogen 2.866 N/A PHE 89.A N VAL 57.A O no hydrogen 2.857 N/A THR 90.A N LEU 110.A O no hydrogen 3.040 N/A THR 90.A OG1 ALA 59.A O no hydrogen 2.815 N/A GLN 92.A N THR 90.A OG1 no hydrogen 2.877 N/A ALA 95.A N GLN 92.A O no hydrogen 2.996 N/A VAL 96.A N PRO 93.A O no hydrogen 3.264 N/A GLY 102.A N GLU 75.A OE1 no hydrogen 2.654 N/A ARG 105.A NE GLU 75.A OE2 no hydrogen 2.764 N/A ARG 105.A NH1 GLU 75.A OE2 no hydrogen 3.547 N/A ARG 105.A NH1 PHE 78.A O no hydrogen 2.776 N/A ARG 105.A NH1 TYR 86.A OH no hydrogen 2.917 N/A ARG 105.A NH2 PHE 78.A O no hydrogen 2.984 N/A ARG 105.A NH2 MET 79.A O no hydrogen 3.329 N/A GLN 106.A N VAL 84.A O no hydrogen 2.894 N/A SER 108.A N TYR 86.A O no hydrogen 2.825 N/A SER 108.A OG HIS 85.A NE2 no hydrogen 2.688 N/A LEU 110.A N VAL 88.A O no hydrogen 2.756 N/A VAL 112.A N THR 90.A O no hydrogen 2.863 N/A ARG 114.A NE ASP 228.A OD2 no hydrogen 3.416 N/A ILE 118.A N ARG 114.A O no hydrogen 3.028 N/A SER 119.A N MET 115.A O no hydrogen 3.255 N/A SER 119.A OG MET 115.A O no hydrogen 2.643 N/A ASP 120.A N GLU 116.A O no hydrogen 2.771 N/A CYS 122.A SG MET 117.A O no hydrogen 3.368 N/A PHE 126.A N CYS 122.A O no hydrogen 3.133 N/A LEU 127.A N GLU 123.A O no hydrogen 3.309 N/A SER 128.A N ARG 124.A O no hydrogen 3.192 N/A SER 128.A N ARG 125.A O no hydrogen 3.122 N/A GLU 129.A N ARG 125.A O no hydrogen 3.019 N/A GLU 129.A N PHE 126.A O no hydrogen 3.152 N/A VAL 130.A N PHE 126.A O no hydrogen 3.009 N/A ASP 131.A N THR 52.A O no hydrogen 2.919 N/A TYR 132.A N THR 52.A O no hydrogen 3.318 N/A LEU 133.A N GLY 198.A O no hydrogen 2.777 N/A VAL 134.A N GLY 54.A O no hydrogen 2.893 N/A ALA 135.A N PHE 196.A O no hydrogen 2.808 N/A VAL 136.A N THR 56.A O no hydrogen 3.197 N/A ASP 137.A N ALA 194.A O no hydrogen 3.237 N/A MET 140.A N VAL 138.A O no hydrogen 2.786 N/A GLU 141.A N THR 268.A O no hydrogen 2.834 N/A PHE 142.A N THR 73.A OG1 no hydrogen 2.956 N/A ARG 143.A N ARG 266.A O no hydrogen 2.764 N/A ARG 143.A NE THR 268.A OG1 no hydrogen 3.136 N/A ASP 144.A N ARG 266.A O no hydrogen 3.225 N/A HIS 145.A N ASP 144.A OD1 no hydrogen 2.769 N/A HIS 145.A NE2 GLU 149.A OE2 no hydrogen 2.741 N/A VAL 146.A N HIS 77.A O no hydrogen 2.933 N/A GLY 147.A N GLU 149.A OE1 no hydrogen 2.889 N/A GLU 149.A N GLU 149.A OE2 no hydrogen 2.882 N/A ILE 150.A N GLY 147.A O no hydrogen 3.175 N/A LEU 151.A N VAL 148.A O no hydrogen 2.937 N/A THR 152.A OG1 THR 242.A OG1 no hydrogen 2.756 N/A LEU 154.A N THR 242.A OG1 no hydrogen 2.931 N/A PHE 155.A N GLY 197.A O no hydrogen 2.870 N/A THR 157.A OG1 PHE 195.A O no hydrogen 2.729 N/A LEU 158.A N LEU 245.A O no hydrogen 2.866 N/A HIS 159.A N TYR 190.A O no hydrogen 2.906 N/A SER 161.A N HIS 159.A ND1 no hydrogen 3.051 N/A PHE 162.A N HIS 159.A O no hydrogen 3.201 N/A SER 165.A N PHE 162.A O no hydrogen 2.865 N/A ARG 167.A NE GLY 187.A O no hydrogen 2.886 N/A ARG 167.A NH1 GLY 187.A O no hydrogen 2.946 N/A ALA 169.A N SER 166.A O no hydrogen 2.810 N/A PHE 170.A N ARG 167.A O no hydrogen 3.138 N/A THR 171.A OG1 TYR 190.A OH no hydrogen 3.307 N/A TYR 172.A OH PHE 189.A O no hydrogen 2.694 N/A ARG 174.A NH1 ILE 182.A O no hydrogen 2.785 N/A ARG 174.A NH2 ARG 167.A O no hydrogen 2.943 N/A ARG 174.A NH2 PHE 170.A O no hydrogen 2.990 N/A ARG 175.A N GLU 173.A OE2 no hydrogen 2.842 N/A ARG 175.A NE GLU 173.A OE2 no hydrogen 2.800 N/A ARG 175.A NH2 GLU 173.A OE1 no hydrogen 2.781 N/A ARG 175.A NH2 GLU 173.A OE2 no hydrogen 3.417 N/A ARG 175.A NH2 GLU 223.A O no hydrogen 2.869 N/A SER 178.A N ARG 175.A O no hydrogen 2.953 N/A SER 178.A OG ASP 217.A OD2 no hydrogen 2.699 N/A GLN 179.A N ASP 217.A OD1 no hydrogen 2.854 N/A ALA 180.A N SER 178.A OG no hydrogen 3.133 N/A TYR 181.A N SER 178.A O no hydrogen 3.005 N/A ILE 182.A N GLU 173.A O no hydrogen 2.872 N/A GLU 186.A N PRO 183.A O no hydrogen 3.062 N/A TYR 190.A OH GLU 229.A OE2 no hydrogen 2.663 N/A TYR 191.A N ASN 233.A OD1 no hydrogen 2.870 N/A MET 192.A N THR 157.A O no hydrogen 2.965 N/A GLY 193.A N GLU 229.A OE1 no hydrogen 2.763 N/A PHE 196.A N ALA 135.A O no hydrogen 3.192 N/A GLY 197.A N PHE 155.A O no hydrogen 3.233 N/A GLY 198.A N LEU 133.A O no hydrogen 2.994 N/A SER 199.A N PRO 153.A O no hydrogen 2.895 N/A VAL 200.A N ASP 131.A O no hydrogen 3.296 N/A GLU 202.A N SER 199.A OG no hydrogen 3.175 N/A VAL 203.A N SER 199.A O no hydrogen 2.907 N/A GLN 204.A N VAL 200.A O no hydrogen 2.850 N/A GLN 204.A NE2 ILE 118.A O no hydrogen 2.530 N/A ARG 205.A N GLN 201.A O no hydrogen 3.065 N/A ARG 205.A NH1 GLU 202.A OE2 no hydrogen 2.713 N/A LEU 206.A N GLU 202.A O no hydrogen 2.978 N/A THR 207.A N VAL 203.A O no hydrogen 2.935 N/A THR 207.A OG1 VAL 203.A O no hydrogen 3.015 N/A THR 207.A OG1 GLN 204.A O no hydrogen 3.237 N/A ARG 208.A N GLN 204.A O no hydrogen 2.834 N/A ARG 208.A NH1 GLU 123.A OE2 no hydrogen 2.851 N/A ALA 209.A N ARG 205.A O no hydrogen 2.868 N/A CYS 210.A N.A LEU 206.A O no hydrogen 2.916 N/A CYS 210.A N.B LEU 206.A O no hydrogen 2.936 N/A CYS 210.A SG.B LEU 206.A O no hydrogen 3.429 N/A HIS 211.A N THR 207.A O no hydrogen 2.934 N/A GLN 212.A N ARG 208.A O no hydrogen 2.968 N/A ALA 213.A N ALA 209.A O no hydrogen 2.929 N/A MET 214.A N CYS 210.A O.A no hydrogen 2.803 N/A MET 214.A N CYS 210.A O.B no hydrogen 2.902 N/A MET 215.A N HIS 211.A O no hydrogen 3.008 N/A VAL 216.A N GLN 212.A O no hydrogen 3.105 N/A ASP 217.A N ALA 213.A O no hydrogen 3.016 N/A GLN 218.A N MET 214.A O no hydrogen 2.887 N/A ALA 219.A N MET 215.A O no hydrogen 2.890 N/A ASN 220.A N VAL 216.A O no hydrogen 2.900 N/A GLY 221.A N GLN 218.A O no hydrogen 2.915 N/A ILE 222.A N ASP 217.A O no hydrogen 2.839 N/A VAL 225.A N GLU 173.A OE1 no hydrogen 2.766 N/A TRP 226.A N SER 230.A OG no hydrogen 2.872 N/A HIS 227.A N ALA 224.A O no hydrogen 3.003 N/A GLU 229.A N TRP 226.A O no hydrogen 3.146 N/A HIS 231.A N HIS 227.A O no hydrogen 3.376 N/A LEU 232.A N ASP 228.A O no hydrogen 2.735 N/A ASN 233.A N GLU 229.A O no hydrogen 2.982 N/A ASN 233.A ND2 TYR 191.A O no hydrogen 2.828 N/A ASN 233.A ND2 GLU 229.A O no hydrogen 2.940 N/A LYS 234.A N SER 230.A O no hydrogen 3.143 N/A LYS 234.A NZ GLN 179.A O no hydrogen 2.810 N/A LYS 234.A NZ TYR 181.A O no hydrogen 2.926 N/A TYR 235.A N HIS 231.A O no hydrogen 2.967 N/A LEU 236.A N LEU 232.A O no hydrogen 2.976 N/A LEU 237.A N ASN 233.A O no hydrogen 2.920 N/A ARG 238.A N LYS 234.A O no hydrogen 3.148 N/A ARG 238.A NH1 GLU 186.A OE2 no hydrogen 3.107 N/A ARG 238.A NH2 GLU 186.A OE2 no hydrogen 2.776 N/A HIS 239.A N TYR 235.A O no hydrogen 2.725 N/A HIS 239.A ND1 TYR 235.A O no hydrogen 3.216 N/A LYS 240.A NZ ASP 188.A OD2 no hydrogen 2.729 N/A LYS 240.A NZ LEU 237.A O no hydrogen 2.760 N/A THR 242.A N LEU 154.A O no hydrogen 2.666 N/A THR 242.A OG1 THR 152.A OG1 no hydrogen 2.756 N/A THR 242.A OG1 LEU 154.A O no hydrogen 3.037 N/A LYS 243.A N LEU 154.A O no hydrogen 3.345 N/A LYS 243.A NZ GLU 149.A O no hydrogen 2.708 N/A LYS 243.A NZ LEU 151.A O no hydrogen 2.790 N/A VAL 244.A N PRO 30.A O no hydrogen 2.907 N/A LEU 245.A N GLY 156.A O no hydrogen 2.894 N/A SER 246.A N VAL 32.A O no hydrogen 3.162 N/A SER 246.A OG VAL 32.A O no hydrogen 2.767 N/A TYR 249.A N SER 246.A O no hydrogen 2.974 N/A TYR 249.A OH GLU 149.A OE1 no hydrogen 2.689 N/A LEU 250.A N PRO 247.A O no hydrogen 3.131 N/A TRP 251.A N PHE 267.A O no hydrogen 2.966 N/A TRP 251.A NE1 GLY 257.A O no hydrogen 2.672 N/A LEU 255.A N ASP 252.A OD1 no hydrogen 3.094 N/A LEU 256.A N ASP 252.A O no hydrogen 2.781 N/A GLY 257.A N GLN 253.A O no hydrogen 2.778 N/A TRP 258.A NE1 LEU 262.A O no hydrogen 2.707 N/A LEU 262.A N PRO 259.A O no hydrogen 3.104 N/A ARG 266.A N GLU 248.A O no hydrogen 2.862 N/A ARG 266.A NE GLU 248.A OE2 no hydrogen 2.853 N/A ARG 266.A NH1 HIS 145.A O no hydrogen 2.926 N/A ARG 266.A NH2 GLU 34.A OE2 no hydrogen 2.811 N/A ARG 266.A NH2 GLU 248.A OE2 no hydrogen 2.879 N/A THR 268.A N GLU 141.A O no hydrogen 2.927 N/A THR 268.A OG1 GLU 141.A O no hydrogen 3.536 N/A ALA 269.A N TRP 251.A O no hydrogen 2.892 N/A VAL 270.A N ASP 139.A O no hydrogen 3.227 N/A