Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6pgx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 5.A N ASN 10.A O no hydrogen 2.835 N/A GLY 7.A N ASN 10.A OD1 no hydrogen 2.939 N/A ASN 10.A N GLY 7.A O no hydrogen 3.297 N/A ASN 10.A ND2 HIS 3.A O no hydrogen 3.276 N/A HIS 14.A N GLY 11.A O no hydrogen 2.760 N/A HIS 14.A NE2 LYS 8.A O no hydrogen 2.983 N/A TRP 15.A N PRO 12.A O no hydrogen 3.463 N/A TRP 15.A NE1 GLY 5.A O no hydrogen 3.015 N/A TRP 15.A NE1 ASN 10.A O no hydrogen 3.120 N/A LYS 17.A N HIS 14.A O no hydrogen 3.118 N/A LYS 17.A NZ HIS 14.A ND1 no hydrogen 2.852 N/A ASP 18.A N TRP 15.A O no hydrogen 3.140 N/A PHE 19.A N TRP 15.A O no hydrogen 2.886 N/A ALA 22.A N PHE 19.A O no hydrogen 2.854 N/A LYS 23.A N PRO 20.A O no hydrogen 3.139 N/A GLY 24.A N ILE 21.A O.A no hydrogen 2.747 N/A GLY 24.A N ILE 21.A O.B no hydrogen 2.726 N/A ARG 26.A N GLU 203.A OE2 no hydrogen 2.954 N/A ARG 26.A NE GLY 194.A O no hydrogen 2.986 N/A ARG 26.A NH1 PRO 136.A O no hydrogen 3.423 N/A ARG 26.A NH2 PRO 136.A O no hydrogen 3.119 N/A ARG 26.A NH2 GLY 194.A O no hydrogen 3.013 N/A ARG 26.A NH2 VAL 205.A O no hydrogen 3.063 N/A GLN 27.A NE2 LEU 201.A O no hydrogen 3.091 N/A GLN 27.A NE2 GLU 203.A OE2 no hydrogen 3.039 N/A SER 28.A N SER 195.A OG no hydrogen 2.895 N/A SER 28.A OG TYR 192.A OH no hydrogen 2.746 N/A SER 28.A OG SER 195.A O no hydrogen 3.520 N/A ILE 32.A N THR 107.A O no hydrogen 2.779 N/A THR 34.A N ASP 109.A OD1 no hydrogen 2.826 N/A THR 34.A OG1 ASP 109.A OD1 no hydrogen 3.321 N/A THR 34.A OG1 ASP 109.A OD2 no hydrogen 2.662 N/A HIS 35.A N ASP 33.A OD1.A no hydrogen 2.861 N/A THR 36.A N ASP 33.A O.A no hydrogen 3.133 N/A THR 36.A N ASP 33.A O.B no hydrogen 3.105 N/A THR 36.A N ASP 33.A OD1.A no hydrogen 3.266 N/A THR 36.A OG1 ASP 33.A OD2.B no hydrogen 2.778 N/A ALA 37.A N ASP 33.A O.A no hydrogen 3.056 N/A ALA 37.A N ASP 33.A O.B no hydrogen 3.105 N/A LYS 38.A N ILE 254.A O no hydrogen 3.246 N/A ASP 40.A N ALA 256.A O no hydrogen 2.986 N/A SER 42.A N ASP 40.A OD1 no hydrogen 2.778 N/A SER 42.A OG ASP 40.A OD1 no hydrogen 2.637 N/A SER 42.A OG ASP 40.A OD2 no hydrogen 3.174 N/A LEU 43.A N ASP 40.A O no hydrogen 3.343 N/A SER 47.A N LYS 79.A O no hydrogen 2.883 N/A SER 47.A OG SER 49.A OG.A no hydrogen 3.349 N/A SER 49.A N.A VAL 77.A O no hydrogen 2.913 N/A SER 49.A N.B VAL 77.A O no hydrogen 2.893 N/A SER 49.A OG.A SER 47.A OG no hydrogen 3.349 N/A TYR 50.A OH HIS 121.A NE2 no hydrogen 2.728 N/A GLN 52.A NE2 ASP 51.A OD2 no hydrogen 2.868 N/A ALA 53.A N TYR 50.A O no hydrogen 3.091 N/A THR 54.A OG1 GLN 52.A O no hydrogen 3.556 N/A SER 55.A OG PHE 174.A O no hydrogen 2.594 N/A LEU 56.A N GLU 68.A O no hydrogen 2.758 N/A ARG 57.A NE GLU 68.A OE2 no hydrogen 2.731 N/A ARG 57.A NH1 GLU 68.A OE1 no hydrogen 2.870 N/A ARG 57.A NH1 GLU 68.A OE2 no hydrogen 3.189 N/A ILE 58.A N ALA 172.A O no hydrogen 2.930 N/A LEU 59.A N ASN 66.A O no hydrogen 2.915 N/A ASN 60.A N LYS 170.A O no hydrogen 2.882 N/A ASN 60.A ND2 ILE 165.A O no hydrogen 3.101 N/A ASN 60.A ND2 ASN 228.A O no hydrogen 3.169 N/A ASN 61.A N ALA 64.A O no hydrogen 3.143 N/A GLY 62.A N ASN 60.A OD1 no hydrogen 2.820 N/A HIS 63.A N ASN 61.A OD1 no hydrogen 2.848 N/A ALA 64.A N ASN 61.A OD1 no hydrogen 2.953 N/A ASN 66.A N LEU 59.A O no hydrogen 2.843 N/A VAL 67.A N PHE 92.A O no hydrogen 2.883 N/A GLU 68.A N ARG 57.A O no hydrogen 2.837 N/A PHE 69.A N ILE 90.A O no hydrogen 2.906 N/A ASP 70.A N THR 54.A O no hydrogen 2.913 N/A SER 72.A N ASP 70.A OD1 no hydrogen 2.918 N/A SER 72.A OG ASP 70.A OD1 no hydrogen 2.671 N/A LYS 75.A N GLN 73.A O no hydrogen 2.899 N/A LYS 75.A NZ THR 54.A OG1 no hydrogen 2.930 N/A LYS 75.A NZ ASP 70.A OD2 no hydrogen 3.180 N/A VAL 77.A N SER 49.A O.A no hydrogen 2.988 N/A VAL 77.A N SER 49.A O.B no hydrogen 2.905 N/A LEU 78.A N TYR 87.A O no hydrogen 2.796 N/A LYS 79.A N SER 47.A O no hydrogen 2.951 N/A LYS 79.A NZ GLY 85.A O no hydrogen 3.465 N/A LYS 79.A NZ THR 86.A OG1 no hydrogen 2.926 N/A GLY 81.A N PRO 45.A O no hydrogen 3.045 N/A LEU 83.A N GLY 80.A O no hydrogen 2.913 N/A TYR 87.A N LEU 78.A O no hydrogen 3.046 N/A TYR 87.A OH ASP 137.A O no hydrogen 2.981 N/A ARG 88.A N TRP 122.A O no hydrogen 2.811 N/A ARG 88.A NE ASP 74.A OD1 no hydrogen 2.630 N/A ARG 88.A NH1 ASP 71.A O no hydrogen 2.927 N/A ARG 88.A NH2 ASP 74.A OD1 no hydrogen 3.190 N/A LEU 89.A N ALA 76.A O no hydrogen 2.862 N/A ILE 90.A N VAL 120.A O no hydrogen 2.908 N/A PHE 92.A N VAL 67.A O no hydrogen 2.947 N/A HIS 93.A N HIS 118.A O no hydrogen 3.079 N/A HIS 93.A ND1 GLN 91.A OE1 no hydrogen 2.742 N/A HIS 95.A N GLU 116.A O no hydrogen 2.874 N/A HIS 95.A ND1 ASN 242.A O no hydrogen 2.764 N/A HIS 95.A NE2 HIS 93.A NE2 no hydrogen 3.187 N/A TRP 96.A N ASN 242.A OD1 no hydrogen 2.821 N/A TRP 96.A NE1 MET 239.A O no hydrogen 2.801 N/A SER 98.A N ASP 241.A OD1 no hydrogen 3.056 N/A SER 98.A OG ASP 241.A OD2 no hydrogen 2.690 N/A GLN 102.A N.A LEU 99.A O.A no hydrogen 3.359 N/A GLN 102.A N.A LEU 99.A O.B no hydrogen 3.358 N/A GLN 102.A N.B LEU 99.A O.A no hydrogen 3.353 N/A GLN 102.A N.B LEU 99.A O.B no hydrogen 3.352 N/A GLN 102.A NE2.A ASP 241.A OD1 no hydrogen 2.881 N/A GLN 102.A NE2.B ASP 241.A OD1 no hydrogen 2.915 N/A GLN 102.A NE2.B ASP 241.A OD2 no hydrogen 3.426 N/A SER 104.A N TYR 113.A O no hydrogen 2.965 N/A SER 104.A OG HIS 106.A O no hydrogen 2.816 N/A GLU 105.A N GLU 116.A OE1 no hydrogen 2.854 N/A HIS 106.A N GLU 116.A OE1 no hydrogen 2.834 N/A HIS 106.A ND1 GLU 116.A OE2 no hydrogen 2.739 N/A HIS 106.A NE2 TYR 192.A OH no hydrogen 2.647 N/A THR 107.A N VAL 30.A O no hydrogen 3.494 N/A THR 107.A OG1 ASP 31.A OD1 no hydrogen 2.656 N/A VAL 108.A N LYS 111.A O no hydrogen 3.096 N/A ASP 109.A N ILE 32.A O no hydrogen 2.844 N/A LYS 110.A N ASP 31.A OD1 no hydrogen 2.797 N/A LYS 111.A N VAL 108.A O no hydrogen 2.859 N/A TYR 113.A N SER 104.A OG no hydrogen 2.916 N/A ALA 115.A N LEU 146.A O no hydrogen 3.360 N/A GLU 116.A N HIS 95.A O no hydrogen 2.885 N/A LEU 117.A N ILE 144.A O no hydrogen 2.794 N/A HIS 118.A N HIS 93.A O no hydrogen 2.823 N/A HIS 118.A NE2 GLU 116.A OE2 no hydrogen 2.711 N/A LEU 119.A N LEU 142.A O no hydrogen 2.895 N/A VAL 120.A N GLN 91.A O no hydrogen 2.867 N/A HIS 121.A N ALA 140.A O no hydrogen 2.922 N/A HIS 121.A ND1 ALA 140.A O no hydrogen 2.978 N/A HIS 121.A NE2 TYR 50.A OH no hydrogen 2.728 N/A TRP 122.A N ARG 88.A O no hydrogen 2.922 N/A TRP 122.A NE1 ASP 71.A OD2 no hydrogen 2.806 N/A ASN 123.A N GLY 138.A O no hydrogen 2.810 N/A ASN 123.A ND2 ASP 137.A O no hydrogen 3.125 N/A THR 124.A N THR 86.A O no hydrogen 2.976 N/A THR 124.A OG1 THR 86.A O no hydrogen 3.294 N/A LYS 125.A N ASN 123.A OD1 no hydrogen 3.028 N/A LYS 125.A NZ TYR 126.A OH no hydrogen 3.217 N/A TYR 126.A N ASN 123.A O no hydrogen 3.046 N/A TYR 126.A OH ASP 137.A OD1 no hydrogen 2.585 N/A GLY 127.A N THR 124.A O no hydrogen 3.111 N/A ASP 128.A N TYR 126.A O no hydrogen 2.910 N/A LYS 131.A N.A ASP 128.A OD1 no hydrogen 2.949 N/A LYS 131.A N.B ASP 128.A OD1 no hydrogen 2.947 N/A ALA 132.A N ASP 128.A O no hydrogen 3.000 N/A VAL 133.A N PHE 129.A O no hydrogen 3.046 N/A GLN 134.A N LYS 131.A O.A no hydrogen 3.088 N/A GLN 134.A N LYS 131.A O.B no hydrogen 3.083 N/A GLN 134.A NE2 GLY 130.A O no hydrogen 3.158 N/A GLN 135.A N ALA 132.A O no hydrogen 3.001 N/A GLN 135.A NE2 LYS 131.A O.A no hydrogen 3.484 N/A GLN 135.A NE2 LYS 131.A O.B no hydrogen 3.499 N/A GLY 138.A N GLN 135.A O no hydrogen 3.118 N/A LEU 139.A N CYS 204.A O no hydrogen 2.841 N/A ALA 140.A N HIS 121.A O no hydrogen 2.884 N/A VAL 141.A N THR 206.A O no hydrogen 3.151 N/A LEU 142.A N LEU 119.A O no hydrogen 2.939 N/A GLY 143.A N ILE 208.A O no hydrogen 2.802 N/A ILE 144.A N LEU 117.A O no hydrogen 2.854 N/A LEU 146.A N ALA 115.A O no hydrogen 2.913 N/A LYS 147.A N ILE 214.A O no hydrogen 2.902 N/A GLY 149.A N VAL 216.A O no hydrogen 2.755 N/A LYS 152.A N GLN 220.A OE1 no hydrogen 3.005 N/A LYS 152.A NZ LEU 183.A O no hydrogen 3.025 N/A LEU 155.A N LYS 152.A O no hydrogen 2.970 N/A GLN 156.A N PRO 153.A O no hydrogen 3.110 N/A GLN 156.A NE2 ASP 160.A OD1 no hydrogen 3.111 N/A GLN 156.A NE2 ASP 160.A OD2 no hydrogen 3.171 N/A VAL 159.A N LEU 155.A O no hydrogen 3.133 N/A ASP 160.A N GLN 156.A O no hydrogen 2.889 N/A VAL 161.A N VAL 158.A O no hydrogen 3.179 N/A LEU 162.A N VAL 159.A O no hydrogen 3.279 N/A SER 164.A N VAL 161.A O no hydrogen 2.970 N/A SER 164.A OG VAL 161.A O no hydrogen 2.728 N/A ILE 165.A N LEU 162.A O no hydrogen 3.031 N/A LYS 168.A N ASN 230.A O no hydrogen 2.947 N/A GLY 169.A N ASN 60.A O no hydrogen 2.762 N/A LYS 170.A N THR 167.A O no hydrogen 3.140 N/A LYS 170.A NZ SER 164.A O no hydrogen 3.257 N/A ALA 172.A N ILE 58.A O no hydrogen 2.896 N/A PHE 174.A N LEU 56.A O no hydrogen 3.008 N/A THR 175.A N ASP 173.A OD1 no hydrogen 3.087 N/A THR 175.A OG1 ASP 173.A OD1 no hydrogen 2.971 N/A PHE 177.A N SER 55.A OG no hydrogen 2.950 N/A ARG 180.A N ASP 178.A OD1 no hydrogen 2.962 N/A ARG 180.A NE ASP 178.A OD1 no hydrogen 3.041 N/A ARG 180.A NE ASP 178.A OD2 no hydrogen 3.210 N/A ARG 180.A NH2 ASP 178.A OD2 no hydrogen 2.987 N/A GLY 181.A N ASP 178.A O no hydrogen 3.248 N/A LEU 182.A N PRO 179.A O no hydrogen 3.023 N/A LEU 183.A N ARG 180.A O no hydrogen 3.384 N/A SER 186.A N GLU 212.A OE1 no hydrogen 2.987 N/A ASP 188.A N SER 186.A OG no hydrogen 3.084 N/A TYR 189.A N SER 257.A OG no hydrogen 2.931 N/A TRP 190.A N VAL 209.A O no hydrogen 2.851 N/A THR 191.A N LYS 255.A O.A no hydrogen 2.843 N/A THR 191.A N LYS 255.A O.B no hydrogen 2.855 N/A THR 191.A OG1 TRP 207.A O no hydrogen 2.751 N/A TYR 192.A N TRP 207.A O no hydrogen 3.263 N/A TYR 192.A OH SER 28.A OG no hydrogen 2.746 N/A TYR 192.A OH HIS 106.A NE2 no hydrogen 2.647 N/A GLY 194.A N VAL 205.A O no hydrogen 2.809 N/A SER 195.A N SER 28.A OG no hydrogen 2.940 N/A SER 195.A OG LEU 196.A O no hydrogen 2.752 N/A LEU 196.A N LEU 202.A O no hydrogen 2.925 N/A THR 197.A OG1 GLU 105.A OE1 no hydrogen 2.618 N/A THR 197.A OG1 GLU 105.A OE2 no hydrogen 3.471 N/A THR 198.A OG1 PRO 199.A O no hydrogen 3.070 N/A LEU 201.A N THR 198.A O no hydrogen 2.778 N/A CYS 204.A SG LEU 202.A O no hydrogen 3.672 N/A VAL 205.A N GLY 194.A O no hydrogen 3.221 N/A THR 206.A N LEU 139.A O no hydrogen 2.874 N/A TRP 207.A N TYR 192.A O no hydrogen 2.972 N/A TRP 207.A NE1 SER 195.A O no hydrogen 2.949 N/A ILE 208.A N VAL 141.A O no hydrogen 2.961 N/A VAL 209.A N TRP 190.A O no hydrogen 2.805 N/A LEU 210.A N GLY 143.A O no hydrogen 2.863 N/A LYS 211.A N ASP 188.A O no hydrogen 2.938 N/A ILE 214.A N PHE 145.A O no hydrogen 2.847 N/A SER 215.A OG.B SER 150.A O.A no hydrogen 2.895 N/A SER 215.A OG.B SER 150.A O.B no hydrogen 2.910 N/A VAL 216.A N LYS 147.A O no hydrogen 2.879 N/A SER 217.A N GLN 220.A OE1 no hydrogen 3.070 N/A SER 218.A OG.A GLU 219.A OE1 no hydrogen 3.023 N/A GLU 219.A N GLU 219.A OE1 no hydrogen 2.786 N/A GLN 220.A N SER 217.A OG no hydrogen 3.185 N/A GLN 220.A NE2 LYS 152.A O no hydrogen 3.015 N/A GLN 220.A NE2 GLN 156.A OE1 no hydrogen 2.956 N/A VAL 221.A N SER 217.A O no hydrogen 3.114 N/A LEU 222.A N SER 218.A O.A no hydrogen 2.869 N/A LEU 222.A N SER 218.A O.B no hydrogen 2.888 N/A LYS 223.A N GLU 219.A O no hydrogen 3.301 N/A LYS 223.A N GLN 220.A O no hydrogen 3.210 N/A ARG 225.A N VAL 221.A O no hydrogen 3.241 N/A ARG 225.A NE GLY 97.A O no hydrogen 2.814 N/A ARG 225.A NH2 ASP 100.A OD1 no hydrogen 2.865 N/A LYS 226.A N LYS 223.A O no hydrogen 3.244 N/A LEU 227.A N PHE 224.A O no hydrogen 3.261 N/A ASN 228.A N LYS 166.A O no hydrogen 2.830 N/A ASN 228.A ND2 GLU 236.A OE2 no hydrogen 2.984 N/A PHE 229.A N GLU 237.A O no hydrogen 2.908 N/A ASN 230.A ND2 ASN 228.A OD1 no hydrogen 3.393 N/A ASN 230.A ND2 GLY 231.A O no hydrogen 2.987 N/A GLY 231.A N GLU 234.A OE1 no hydrogen 2.843 N/A GLU 234.A N GLY 231.A O no hydrogen 3.154 N/A GLU 237.A N ASN 230.A OD1 no hydrogen 2.833 N/A MET 239.A N LEU 227.A O no hydrogen 2.806 N/A ASN 242.A N TRP 96.A O no hydrogen 3.323 N/A ASN 242.A ND2 HIS 63.A O no hydrogen 2.948 N/A TRP 243.A NE1 ASP 241.A OD1 no hydrogen 3.016 N/A ARG 244.A N GLU 105.A OE2 no hydrogen 2.807 N/A ARG 244.A NH1 GLN 27.A OE1 no hydrogen 2.782 N/A ARG 244.A NH1 SER 28.A O no hydrogen 2.842 N/A ARG 244.A NH2 ALA 22.A O no hydrogen 3.181 N/A ARG 244.A NH2 GLN 27.A OE1 no hydrogen 3.372 N/A GLN 247.A N PRO 29.A O no hydrogen 2.806 N/A GLN 247.A NE2 PRO 245.A O no hydrogen 2.841 N/A LYS 250.A NZ.A GLY 24.A O no hydrogen 2.995 N/A LYS 250.A NZ.A GLU 25.A OE1 no hydrogen 3.508 N/A ARG 252.A NE LEU 249.A O no hydrogen 2.847 N/A ARG 252.A NH1 GLN 27.A O no hydrogen 3.006 N/A ARG 252.A NH1 PRO 193.A O no hydrogen 2.897 N/A ARG 252.A NH2 GLN 27.A O no hydrogen 2.832 N/A ARG 252.A NH2 PRO 248.A O no hydrogen 2.878 N/A ARG 252.A NH2 LEU 249.A O no hydrogen 3.551 N/A LYS 255.A N.A THR 191.A O no hydrogen 2.955 N/A LYS 255.A N.B THR 191.A O no hydrogen 2.951 N/A ALA 256.A N LYS 38.A O no hydrogen 2.867 N/A SER 257.A N TYR 189.A O no hydrogen 2.867 N/A SER 257.A OG TYR 189.A O no hydrogen 3.374 N/A