Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pfg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A N GLU 198.A O no hydrogen 3.404 N/A GLN 2.A NE2 SER 6.A O no hydrogen 2.958 N/A TYR 5.A OH HIS 114.A NE2 no hydrogen 2.776 N/A SER 6.A N GLN 2.A OE1 no hydrogen 2.944 N/A SER 6.A OG ASP 4.A OD2 no hydrogen 2.572 N/A GLY 7.A N ASP 74.A OD2 no hydrogen 2.759 N/A ALA 10.A N SER 6.A O no hydrogen 3.292 N/A GLU 11.A N GLY 7.A O no hydrogen 3.136 N/A LEU 12.A N GLU 8.A O no hydrogen 2.915 N/A LEU 12.A N ILE 9.A O no hydrogen 3.275 N/A TYR 13.A N ALA 10.A O no hydrogen 3.352 N/A VAL 16.A N LEU 12.A O no hydrogen 2.992 N/A HIS 17.A N TYR 13.A O no hydrogen 3.040 N/A GLN 18.A N ASP 14.A O no hydrogen 2.889 N/A GLY 19.A N LEU 15.A O no hydrogen 2.914 N/A LYS 20.A N VAL 16.A O no hydrogen 3.148 N/A GLY 21.A N GLN 18.A O no hydrogen 2.844 N/A LYS 22.A N HIS 17.A O no hydrogen 3.092 N/A LYS 22.A NZ GLU 27.A OE1 no hydrogen 3.366 N/A LYS 22.A NZ GLU 27.A OE2 no hydrogen 2.856 N/A ARG 26.A N ASP 23.A OD1 no hydrogen 2.972 N/A GLU 27.A N ASP 23.A O no hydrogen 2.901 N/A ALA 28.A N TYR 24.A O no hydrogen 2.874 N/A ALA 29.A N HIS 25.A O no hydrogen 2.981 N/A ASP 30.A N ARG 26.A O no hydrogen 2.899 N/A LEU 31.A N GLU 27.A O no hydrogen 2.840 N/A ALA 32.A N ALA 28.A O no hydrogen 2.815 N/A ALA 33.A N ALA 29.A O no hydrogen 2.975 N/A LEU 34.A N ASP 30.A O no hydrogen 2.870 N/A VAL 35.A N LEU 31.A O no hydrogen 2.862 N/A ARG 36.A N ALA 32.A O no hydrogen 3.006 N/A ARG 36.A NH2 SER 62.A O no hydrogen 3.059 N/A ARG 37.A N ALA 33.A O no hydrogen 2.978 N/A HIS 38.A N LEU 34.A O no hydrogen 3.372 N/A HIS 38.A N VAL 35.A O no hydrogen 3.102 N/A SER 39.A N VAL 35.A O no hydrogen 2.735 N/A SER 39.A OG ASP 135.A O no hydrogen 3.037 N/A LYS 41.A NZ SER 39.A OG no hydrogen 3.331 N/A LYS 41.A NZ ASP 135.A O no hydrogen 3.335 N/A LYS 41.A NZ ASP 135.A OD2 no hydrogen 2.633 N/A ALA 42.A N SER 39.A O no hydrogen 2.936 N/A ALA 43.A N SER 103.A OG no hydrogen 2.811 N/A SER 44.A N SER 103.A OG no hydrogen 3.131 N/A LEU 45.A N THR 65.A O no hydrogen 2.949 N/A LEU 46.A N ALA 104.A O no hydrogen 2.885 N/A ASP 47.A N GLU 67.A O no hydrogen 2.845 N/A VAL 48.A N THR 106.A O no hydrogen 2.739 N/A CYS 50.A N LEU 69.A O no hydrogen 3.113 N/A CYS 50.A SG LEU 69.A O no hydrogen 3.726 N/A GLY 51.A N GLU 70.A OE1 no hydrogen 2.800 N/A THR 52.A OG1 ASP 14.A OD1 no hydrogen 2.591 N/A THR 52.A OG1 ASP 14.A OD2 no hydrogen 3.487 N/A GLY 53.A N CYS 50.A O no hydrogen 2.915 N/A HIS 55.A NE2 GLU 27.A OE1 no hydrogen 2.725 N/A ARG 57.A N GLY 53.A O no hydrogen 3.029 N/A LEU 59.A N HIS 55.A O no hydrogen 2.766 N/A ALA 60.A N LEU 56.A O no hydrogen 3.019 N/A ASP 61.A N HIS 58.A O no hydrogen 3.000 N/A SER 62.A N LEU 59.A O no hydrogen 2.854 N/A PHE 63.A N LEU 59.A O no hydrogen 2.954 N/A THR 65.A N ALA 43.A O no hydrogen 3.196 N/A GLU 67.A N LEU 45.A O no hydrogen 2.875 N/A GLY 68.A N VAL 87.A O no hydrogen 3.001 N/A LEU 69.A N ASP 47.A O no hydrogen 3.062 N/A GLU 70.A N HIS 89.A O no hydrogen 2.920 N/A SER 72.A N GLU 70.A OE2 no hydrogen 2.809 N/A SER 72.A OG ASP 4.A O no hydrogen 3.506 N/A SER 72.A OG TYR 5.A O no hydrogen 2.710 N/A MET 75.A N SER 72.A OG no hydrogen 3.186 N/A LEU 76.A N SER 72.A O no hydrogen 2.874 N/A ALA 77.A N ALA 73.A O no hydrogen 2.888 N/A ALA 79.A N MET 75.A O no hydrogen 3.006 N/A ARG 80.A N LEU 76.A O no hydrogen 2.779 N/A ARG 80.A NE LEU 88.A O no hydrogen 3.049 N/A ARG 80.A NH1 LEU 88.A O no hydrogen 2.614 N/A ARG 81.A N ALA 77.A O no hydrogen 3.244 N/A ARG 82.A N ILE 78.A O no hydrogen 3.078 N/A ARG 82.A NH1 ASP 14.A OD2 no hydrogen 3.161 N/A ARG 82.A NH2 ASP 14.A OD2 no hydrogen 2.845 N/A ARG 82.A NH2 THR 52.A O no hydrogen 2.929 N/A ASN 83.A N ARG 80.A O no hydrogen 3.249 N/A ASN 83.A ND2 GLY 53.A O no hydrogen 3.029 N/A ASN 83.A ND2 ALA 79.A O no hydrogen 3.002 N/A ALA 86.A N ASN 83.A O no hydrogen 3.235 N/A HIS 89.A N GLY 68.A O no hydrogen 2.795 N/A HIS 89.A NE2 GLU 67.A OE1 no hydrogen 2.692 N/A HIS 90.A NE2 LEU 71.A O no hydrogen 2.826 N/A GLY 91.A N GLU 70.A O no hydrogen 3.022 N/A ARG 94.A N ASP 92.A OD1 no hydrogen 2.895 N/A ARG 94.A NE ASP 92.A OD1 no hydrogen 2.973 N/A ARG 94.A NE ASP 92.A OD2 no hydrogen 3.342 N/A ARG 94.A NH1 GLU 120.A OE2 no hydrogen 3.017 N/A ARG 94.A NH2 ASP 92.A OD2 no hydrogen 2.683 N/A ASP 95.A N ASP 92.A O no hydrogen 3.052 N/A PHE 96.A N ASP 92.A O no hydrogen 3.172 N/A LEU 98.A N HIS 131.A NE2 no hydrogen 2.915 N/A ARG 101.A NH1 ALA 129.A O no hydrogen 2.935 N/A ARG 101.A NH1 VAL 132.A O no hydrogen 2.919 N/A PHE 102.A N HIS 131.A O no hydrogen 2.893 N/A SER 103.A N SER 44.A OG no hydrogen 2.995 N/A ALA 104.A N SER 44.A O no hydrogen 3.065 N/A VAL 105.A N VAL 137.A O no hydrogen 2.988 N/A THR 106.A N LEU 46.A O no hydrogen 2.828 N/A THR 106.A OG1 LEU 46.A O no hydrogen 3.526 N/A THR 106.A OG1 ASP 47.A OD1 no hydrogen 2.743 N/A CYS 107.A N VAL 139.A O no hydrogen 2.840 N/A CYS 107.A SG VAL 48.A O no hydrogen 3.710 N/A PHE 109.A N GLU 141.A OE1 no hydrogen 2.765 N/A SER 110.A N GLU 141.A O no hydrogen 3.183 N/A SER 110.A OG PRO 142.A O no hydrogen 2.875 N/A SER 111.A OG MET 108.A O no hydrogen 2.893 N/A GLY 113.A N SER 110.A O no hydrogen 2.923 N/A HIS 114.A N SER 111.A O no hydrogen 3.011 N/A HIS 114.A NE2 TYR 5.A OH no hydrogen 2.776 N/A LEU 115.A N ILE 112.A O no hydrogen 3.217 N/A ALA 116.A N GLU 120.A OE1 no hydrogen 2.855 N/A GLN 118.A NE2 ASP 122.A OD1 no hydrogen 2.801 N/A GLN 118.A NE2 GLN 210.A O no hydrogen 3.196 N/A LEU 121.A N GLY 117.A O no hydrogen 3.056 N/A ASP 122.A N GLN 118.A O no hydrogen 2.801 N/A ALA 123.A N ALA 119.A O no hydrogen 2.953 N/A ALA 124.A N GLU 120.A O no hydrogen 2.928 N/A LEU 125.A N LEU 121.A O no hydrogen 3.033 N/A GLU 126.A N ASP 122.A O no hydrogen 2.946 N/A ARG 127.A N ALA 123.A O no hydrogen 2.982 N/A ARG 127.A NE PHE 96.A O no hydrogen 2.957 N/A ARG 127.A NH1 PHE 96.A O no hydrogen 2.925 N/A ARG 127.A NH2 GLU 126.A OE1 no hydrogen 2.938 N/A ARG 127.A NH2 GLU 126.A OE2 no hydrogen 3.333 N/A PHE 128.A N ALA 124.A O no hydrogen 2.921 N/A ALA 129.A N LEU 125.A O no hydrogen 2.915 N/A ALA 130.A N GLU 126.A O no hydrogen 2.893 N/A HIS 131.A N PHE 128.A O no hydrogen 3.067 N/A HIS 131.A ND1 ARG 127.A O no hydrogen 2.817 N/A VAL 132.A N ALA 129.A O no hydrogen 3.481 N/A LEU 133.A N PHE 102.A O no hydrogen 2.836 N/A GLY 136.A N LEU 133.A O no hydrogen 2.932 N/A VAL 137.A N SER 103.A O no hydrogen 2.933 N/A VAL 138.A N GLY 237.A O no hydrogen 2.883 N/A VAL 139.A N VAL 105.A O no hydrogen 2.889 N/A VAL 140.A N PHE 235.A O no hydrogen 2.887 N/A GLU 141.A N CYS 107.A O no hydrogen 2.922 N/A TRP 143.A N TYR 211.A OH no hydrogen 3.243 N/A TRP 143.A NE1 THR 179.A OG1 no hydrogen 2.975 N/A PHE 145.A N ASN 148.A OD1 no hydrogen 2.727 N/A ASN 148.A N PHE 145.A O no hydrogen 3.151 N/A PHE 149.A N PHE 145.A O no hydrogen 3.011 N/A GLY 152.A N SER 172.A O no hydrogen 2.779 N/A ALA 155.A N SER 170.A O no hydrogen 3.054 N/A GLY 157.A N ARG 168.A O no hydrogen 2.995 N/A THR 158.A OG1 THR 167.A OG1 no hydrogen 2.845 N/A VAL 159.A N VAL 166.A O no hydrogen 2.902 N/A ALA 161.A N THR 164.A O no hydrogen 2.861 N/A THR 164.A N ALA 161.A O no hydrogen 3.013 N/A THR 165.A N ALA 188.A O no hydrogen 2.855 N/A VAL 166.A N VAL 159.A O no hydrogen 2.824 N/A THR 167.A N LEU 186.A O no hydrogen 2.879 N/A THR 167.A OG1 THR 158.A OG1 no hydrogen 2.845 N/A ARG 168.A N GLY 157.A O no hydrogen 2.887 N/A VAL 169.A N HIS 184.A O no hydrogen 2.881 N/A SER 170.A N ALA 155.A O no hydrogen 2.840 N/A HIS 171.A N GLU 182.A O no hydrogen 2.898 N/A SER 172.A N TYR 153.A O no hydrogen 3.004 N/A SER 173.A N ARG 180.A O no hydrogen 2.912 N/A SER 173.A OG ARG 180.A O no hydrogen 3.492 N/A ARG 174.A NE GLY 176.A O no hydrogen 2.767 N/A GLU 175.A N ALA 178.A O no hydrogen 2.761 N/A ALA 178.A N GLU 175.A O no hydrogen 3.103 N/A THR 179.A N ILE 203.A O no hydrogen 2.751 N/A ARG 180.A N SER 173.A O no hydrogen 2.812 N/A ARG 180.A NE GLU 175.A OE1 no hydrogen 2.828 N/A ARG 180.A NH1 SER 200.A OG no hydrogen 2.966 N/A ARG 180.A NH2 GLU 175.A OE1 no hydrogen 3.407 N/A ARG 180.A NH2 GLU 175.A OE2 no hydrogen 3.056 N/A ILE 181.A N HIS 201.A O no hydrogen 2.901 N/A GLU 182.A N HIS 171.A O no hydrogen 2.966 N/A VAL 183.A N GLU 199.A O no hydrogen 2.914 N/A HIS 184.A N VAL 169.A O no hydrogen 2.884 N/A HIS 184.A ND1 HIS 196.A NE2 no hydrogen 2.829 N/A HIS 184.A NE2 GLU 182.A OE1.B no hydrogen 2.811 N/A TYR 185.A N HIS 197.A O no hydrogen 2.807 N/A TYR 185.A OH GLU 199.A OE1 no hydrogen 2.562 N/A LEU 186.A N THR 167.A O no hydrogen 2.967 N/A VAL 187.A N THR 195.A O no hydrogen 2.843 N/A ALA 188.A N THR 165.A O no hydrogen 2.825 N/A GLY 189.A N GLY 193.A O no hydrogen 3.048 N/A ARG 192.A NH1 THR 195.A OG1 no hydrogen 2.785 N/A ARG 192.A NH2 GLY 193.A O no hydrogen 3.111 N/A GLY 193.A N GLY 189.A O no hydrogen 2.973 N/A THR 195.A N VAL 187.A O no hydrogen 2.901 N/A THR 195.A OG1 HIS 197.A NE2 no hydrogen 2.806 N/A HIS 196.A NE2 HIS 184.A ND1 no hydrogen 2.829 N/A HIS 197.A N TYR 185.A O no hydrogen 3.042 N/A HIS 197.A NE2 THR 195.A OG1 no hydrogen 2.806 N/A GLU 199.A N VAL 183.A O no hydrogen 2.838 N/A SER 200.A N GLN 2.A O no hydrogen 2.903 N/A SER 200.A OG GLU 182.A OE1.A no hydrogen 2.582 N/A HIS 201.A N ILE 181.A O no hydrogen 2.885 N/A HIS 201.A NE2 GLU 199.A OE2 no hydrogen 2.872 N/A ARG 202.A NH1 GLU 175.A O no hydrogen 3.031 N/A ARG 202.A NH1 GLU 175.A OE2 no hydrogen 2.859 N/A ILE 203.A N THR 179.A O no hydrogen 2.913 N/A THR 204.A N GLY 113.A O no hydrogen 2.823 N/A THR 204.A OG1 LEU 115.A O no hydrogen 2.673 N/A LEU 205.A N GLU 177.A O no hydrogen 2.866 N/A THR 207.A N GLN 210.A OE1 no hydrogen 2.955 N/A ARG 208.A NE GLU 212.A OE2 no hydrogen 2.730 N/A ARG 208.A NH1 GLU 212.A OE2 no hydrogen 3.401 N/A GLN 210.A N THR 207.A OG1 no hydrogen 3.017 N/A GLN 210.A NE2 GLN 118.A OE1 no hydrogen 3.155 N/A TYR 211.A N THR 207.A O no hydrogen 3.038 N/A GLU 212.A N ARG 208.A O no hydrogen 2.836 N/A ARG 213.A N GLU 209.A O no hydrogen 2.839 N/A ALA 214.A N GLN 210.A O no hydrogen 3.155 N/A PHE 215.A N TYR 211.A O no hydrogen 3.100 N/A THR 216.A N GLU 212.A O no hydrogen 2.882 N/A THR 216.A OG1 GLU 212.A O no hydrogen 3.072 N/A ALA 217.A N ARG 213.A O no hydrogen 2.936 N/A ALA 218.A N PHE 215.A O no hydrogen 3.073 N/A GLY 219.A N THR 216.A O no hydrogen 2.919 N/A LEU 220.A N PHE 215.A O no hydrogen 2.990 N/A SER 221.A N LEU 238.A O no hydrogen 2.920 N/A GLU 223.A N THR 236.A O no hydrogen 2.874 N/A MET 225.A N LEU 234.A O no hydrogen 2.780 N/A SER 230.A OG GLU 141.A OE2 no hydrogen 2.708 N/A ARG 232.A NE SER 230.A O no hydrogen 3.127 N/A ARG 232.A NH1 SER 110.A OG no hydrogen 3.054 N/A ARG 232.A NH2 SER 230.A O no hydrogen 2.943 N/A GLY 233.A N GLY 227.A O no hydrogen 2.830 N/A LEU 234.A N MET 225.A O no hydrogen 2.944 N/A PHE 235.A N VAL 140.A O no hydrogen 2.880 N/A THR 236.A N GLU 223.A O no hydrogen 2.972 N/A GLY 237.A N VAL 138.A O no hydrogen 2.812 N/A LEU 238.A N SER 221.A O no hydrogen 2.884 N/A GLY 240.A N GLY 219.A O no hydrogen 3.229 N/A ALA 241.A N GLY 219.A O no hydrogen 2.810 N/A