Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pgx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A N GLU 28.A OE1 no hydrogen 3.432 N/A SER 2.A OG GLU 28.A OE1 no hydrogen 2.563 N/A LEU 3.A N GLU 28.A O no hydrogen 2.826 N/A GLN 4.A N GLY 1.A O no hydrogen 3.367 N/A GLY 5.A N GLY 29.A O no hydrogen 3.397 N/A ARG 6.A N LEU 3.A O no hydrogen 3.002 N/A ARG 6.A NH1 ASP 251.A OD1 no hydrogen 3.238 N/A ARG 6.A NH2 ASP 251.A OD2 no hydrogen 2.824 N/A VAL 7.A N ASP 97.A OD2 no hydrogen 2.892 N/A ALA 8.A N ASP 31.A O no hydrogen 3.010 N/A PHE 9.A N VAL 98.A O no hydrogen 2.811 N/A ILE 10.A N ILE 33.A O no hydrogen 2.858 N/A THR 11.A N VAL 100.A O no hydrogen 3.123 N/A ALA 13.A N CYS 35.A O no hydrogen 3.195 N/A ALA 14.A N ASP 36.A OD2 no hydrogen 3.062 N/A ARG 15.A NH1 ALA 48.A O no hydrogen 2.858 N/A ARG 15.A NH2 ALA 48.A O no hydrogen 2.939 N/A ARG 19.A N ARG 15.A O no hydrogen 3.163 N/A ARG 19.A NE THR 58.A OG1 no hydrogen 3.080 N/A ARG 19.A NH2 ALA 14.A O no hydrogen 2.930 N/A ARG 19.A NH2 ASP 54.A O no hydrogen 2.878 N/A SER 20.A N GLY 16.A O no hydrogen 3.110 N/A SER 20.A OG GLY 16.A O no hydrogen 3.501 N/A SER 20.A OG ASP 239.A OD1 no hydrogen 2.730 N/A HIS 21.A N GLN 17.A O no hydrogen 2.843 N/A ALA 22.A N GLY 18.A O no hydrogen 2.990 N/A VAL 23.A N ARG 19.A O no hydrogen 2.931 N/A ARG 24.A N SER 20.A O no hydrogen 2.910 N/A ARG 24.A NE GLU 28.A OE2 no hydrogen 2.893 N/A ARG 24.A NH1 ASP 243.A OD1 no hydrogen 2.641 N/A ARG 24.A NH2 GLU 28.A OE2 no hydrogen 3.464 N/A LEU 25.A N HIS 21.A O no hydrogen 2.866 N/A ALA 26.A N ALA 22.A O no hydrogen 3.058 N/A ALA 27.A N VAL 23.A O no hydrogen 2.831 N/A GLU 28.A N ARG 24.A O no hydrogen 2.895 N/A GLY 29.A N ALA 26.A O no hydrogen 2.857 N/A ALA 30.A N LEU 25.A O no hydrogen 3.056 N/A ASP 31.A N ARG 6.A O no hydrogen 3.030 N/A ILE 32.A N LYS 68.A O no hydrogen 3.063 N/A ILE 33.A N ALA 8.A O no hydrogen 2.833 N/A ALA 34.A N LEU 70.A O no hydrogen 2.842 N/A CYS 35.A N ILE 10.A O no hydrogen 3.113 N/A ASP 36.A N ARG 72.A O no hydrogen 3.289 N/A CYS 38.A N ASP 36.A OD1 no hydrogen 2.930 N/A CYS 38.A SG ASP 36.A O no hydrogen 3.664 N/A CYS 38.A SG SER 51.A O no hydrogen 3.526 N/A SER 42.A OG SER 44.A OG no hydrogen 2.696 N/A SER 42.A OG GLU 117.A OE2 no hydrogen 2.613 N/A SER 44.A N SER 42.A OG no hydrogen 2.910 N/A SER 44.A OG SER 42.A OG no hydrogen 2.696 N/A VAL 45.A N SER 42.A O no hydrogen 3.188 N/A THR 46.A OG1 GLU 207.A OE1 no hydrogen 2.542 N/A SER 51.A N ASP 54.A OD2 no hydrogen 2.984 N/A ASP 54.A N SER 51.A OG no hydrogen 3.118 N/A LEU 55.A N SER 51.A O no hydrogen 3.364 N/A ASP 56.A N PRO 52.A O no hydrogen 3.058 N/A GLU 57.A N GLU 53.A O no hydrogen 3.067 N/A THR 58.A N ASP 54.A O no hydrogen 3.059 N/A THR 58.A OG1 ALA 13.A O no hydrogen 2.670 N/A THR 58.A OG1 ALA 14.A O no hydrogen 3.231 N/A THR 58.A OG1 ASP 54.A O no hydrogen 3.512 N/A ALA 59.A N LEU 55.A O no hydrogen 3.047 N/A ARG 60.A N ASP 56.A O no hydrogen 2.959 N/A ARG 60.A NH1.A GLU 53.A OE1.B no hydrogen 2.695 N/A ARG 60.A NH1.A GLU 57.A OE1 no hydrogen 3.428 N/A ARG 60.A NH2.A GLU 53.A OE1.B no hydrogen 3.367 N/A LEU 61.A N GLU 57.A O no hydrogen 2.878 N/A VAL 62.A N THR 58.A O no hydrogen 2.866 N/A GLU 63.A N ALA 59.A O no hydrogen 2.936 N/A ASP 64.A N ARG 60.A O no hydrogen 2.904 N/A GLN 65.A N VAL 62.A O no hydrogen 2.982 N/A GLY 66.A N GLU 63.A O no hydrogen 2.845 N/A ARG 67.A NE ASP 31.A OD1 no hydrogen 3.349 N/A LYS 68.A N ASP 31.A OD1 no hydrogen 2.907 N/A LEU 70.A N ILE 32.A O no hydrogen 2.879 N/A ARG 72.A N ALA 34.A O no hydrogen 2.975 N/A ARG 72.A NH1 ASP 88.A OD2 no hydrogen 3.001 N/A ARG 72.A NH2 ASP 88.A OD2 no hydrogen 2.684 N/A LEU 74.A N ASP 36.A O no hydrogen 2.992 N/A ARG 77.A N ASP 75.A OD1 no hydrogen 2.966 N/A ARG 77.A NE ASP 75.A OD1 no hydrogen 2.930 N/A ARG 77.A NE ASP 75.A OD2 no hydrogen 3.376 N/A ARG 77.A NH2 ASP 75.A OD1 no hydrogen 3.552 N/A ARG 77.A NH2 ASP 75.A OD2 no hydrogen 2.808 N/A ASP 78.A N ASP 75.A O no hydrogen 2.876 N/A ALA 81.A N ASP 78.A OD1 no hydrogen 3.054 N/A LEU 82.A N ASP 78.A O no hydrogen 3.051 N/A ARG 83.A N ASP 79.A O no hydrogen 2.958 N/A ARG 83.A NE.A ASP 79.A OD2 no hydrogen 2.658 N/A ARG 83.A NE.B ASP 79.A OD2 no hydrogen 3.139 N/A ARG 83.A NH2.A ASP 79.A OD2 no hydrogen 3.027 N/A ARG 83.A NH2.B ASP 79.A OD2 no hydrogen 3.175 N/A GLU 84.A N ALA 80.A O no hydrogen 3.010 N/A LEU 85.A N ALA 81.A O no hydrogen 2.966 N/A VAL 86.A N LEU 82.A O no hydrogen 2.931 N/A ALA 87.A N ARG 83.A O no hydrogen 2.886 N/A ASP 88.A N GLU 84.A O no hydrogen 2.898 N/A GLY 89.A N LEU 85.A O no hydrogen 2.832 N/A MET 90.A N VAL 86.A O no hydrogen 2.851 N/A GLU 91.A N ALA 87.A O no hydrogen 3.024 N/A GLN 92.A N ASP 88.A O no hydrogen 2.947 N/A PHE 93.A N GLY 89.A O no hydrogen 2.717 N/A ARG 95.A NE ASP 97.A OD1 no hydrogen 3.357 N/A ARG 95.A NE ASP 97.A OD2 no hydrogen 2.849 N/A ARG 95.A NH2 ASP 97.A OD1 no hydrogen 2.824 N/A ARG 95.A NH2 ASP 97.A OD2 no hydrogen 3.553 N/A ASP 97.A N VAL 7.A O no hydrogen 2.776 N/A VAL 98.A N VAL 7.A O no hydrogen 3.016 N/A VAL 99.A N SER 149.A O no hydrogen 3.098 N/A VAL 100.A N PHE 9.A O no hydrogen 2.818 N/A ALA 101.A N VAL 151.A O no hydrogen 2.859 N/A ASN 102.A N THR 11.A OG1 no hydrogen 3.019 N/A ASN 102.A ND2 THR 11.A O no hydrogen 3.059 N/A ALA 103.A N THR 11.A OG1 no hydrogen 3.051 N/A VAL 105.A N ASN 126.A OD1 no hydrogen 2.923 N/A LEU 106.A N TYR 47.A OH no hydrogen 3.131 N/A SER 107.A OG HIS 167.A NE2 no hydrogen 2.875 N/A GLY 109.A N GLY 164.A O no hydrogen 2.697 N/A ARG 110.A NE GLU 113.A OE1 no hydrogen 2.894 N/A ARG 110.A NH2 GLU 113.A OE1 no hydrogen 3.453 N/A ARG 110.A NH2 GLU 113.A OE2 no hydrogen 2.972 N/A GLU 113.A N ARG 110.A O no hydrogen 2.816 N/A THR 115.A N GLN 118.A OE1 no hydrogen 2.965 N/A THR 115.A OG1 GLN 118.A OE1 no hydrogen 3.542 N/A GLN 118.A N THR 115.A OG1 no hydrogen 2.985 N/A GLN 118.A NE2 TRP 108.A O no hydrogen 2.991 N/A TRP 119.A N THR 115.A O no hydrogen 2.941 N/A ASP 120.A N ASP 116.A O no hydrogen 2.784 N/A THR 121.A N GLU 117.A O no hydrogen 3.035 N/A THR 121.A OG1 GLU 117.A O no hydrogen 2.850 N/A THR 121.A OG1 GLU 117.A OE2 no hydrogen 3.333 N/A VAL 122.A N GLN 118.A O no hydrogen 3.248 N/A ILE 123.A N TRP 119.A O no hydrogen 2.922 N/A GLY 124.A N ASP 120.A O no hydrogen 2.777 N/A VAL 125.A N THR 121.A O no hydrogen 2.889 N/A ASN 126.A N VAL 122.A O no hydrogen 2.835 N/A ASN 126.A ND2 VAL 105.A O no hydrogen 2.982 N/A ASN 126.A ND2 SER 171.A OG no hydrogen 3.249 N/A LEU 127.A N ILE 123.A O no hydrogen 2.898 N/A THR 128.A N ILE 123.A O no hydrogen 3.039 N/A GLY 129.A N GLY 124.A O no hydrogen 2.842 N/A THR 130.A OG1 ASN 126.A O no hydrogen 2.616 N/A TRP 131.A N LEU 127.A O no hydrogen 3.000 N/A ARG 132.A N THR 128.A O no hydrogen 2.831 N/A ARG 132.A NH1 ASP 79.A OD1 no hydrogen 2.994 N/A THR 133.A N GLY 129.A O no hydrogen 2.986 N/A THR 133.A OG1 GLY 129.A O no hydrogen 2.854 N/A LEU 134.A N THR 130.A O no hydrogen 2.866 N/A ARG 135.A N TRP 131.A O no hydrogen 2.787 N/A ARG 135.A NH2 ASP 79.A OD1 no hydrogen 2.947 N/A ALA 136.A N ARG 132.A O no hydrogen 2.941 N/A THR 137.A N THR 133.A O no hydrogen 3.035 N/A THR 137.A N LEU 134.A O no hydrogen 3.275 N/A THR 137.A OG1 THR 133.A O no hydrogen 2.819 N/A THR 137.A OG1 LEU 134.A O no hydrogen 3.450 N/A VAL 138.A N LEU 134.A O no hydrogen 2.960 N/A MET 141.A N THR 137.A O no hydrogen 3.137 N/A ILE 142.A N VAL 138.A O no hydrogen 2.874 N/A GLU 143.A N PRO 139.A O no hydrogen 2.894 N/A ALA 144.A N ALA 140.A O no hydrogen 2.900 N/A GLY 145.A N ILE 142.A O no hydrogen 3.025 N/A GLY 148.A N GLY 190.A O no hydrogen 3.309 N/A SER 149.A N ASP 97.A O no hydrogen 2.932 N/A SER 149.A OG LEU 248.A O no hydrogen 2.677 N/A ILE 150.A N ARG 192.A O no hydrogen 2.805 N/A VAL 151.A N VAL 99.A O no hydrogen 2.790 N/A VAL 152.A N ASN 194.A O no hydrogen 2.873 N/A VAL 153.A N ALA 101.A O no hydrogen 2.865 N/A SER 154.A N ILE 196.A O no hydrogen 2.936 N/A SER 154.A OG LYS 172.A O no hydrogen 2.801 N/A SER 154.A OG HIS 197.A ND1 no hydrogen 3.244 N/A SER 156.A N PRO 198.A O no hydrogen 2.887 N/A SER 156.A OG PRO 198.A O no hydrogen 3.223 N/A ALA 157.A N SER 155.A OG no hydrogen 2.865 N/A GLY 158.A N SER 155.A O no hydrogen 2.868 N/A LEU 159.A N SER 156.A O no hydrogen 2.966 N/A LYS 160.A N SER 156.A O no hydrogen 2.895 N/A LYS 160.A NZ SER 224.A O no hydrogen 2.990 N/A THR 162.A N SER 169.A OG no hydrogen 3.136 N/A THR 162.A OG1 ASN 165.A OD1 no hydrogen 2.540 N/A THR 162.A OG1 SER 169.A OG no hydrogen 3.387 N/A HIS 167.A NE2 SER 107.A OG no hydrogen 2.875 N/A SER 169.A N ASN 165.A O no hydrogen 2.802 N/A SER 169.A OG ASN 165.A O no hydrogen 3.269 N/A ALA 170.A N GLY 166.A O no hydrogen 2.745 N/A SER 171.A N HIS 167.A O no hydrogen 2.913 N/A SER 171.A OG TYR 168.A O no hydrogen 2.756 N/A LYS 172.A N TYR 168.A O no hydrogen 2.941 N/A LYS 172.A NZ VAL 153.A O no hydrogen 3.135 N/A LYS 172.A NZ SER 154.A O no hydrogen 3.454 N/A HIS 173.A N SER 169.A O no hydrogen 2.869 N/A HIS 173.A ND1 SER 169.A O no hydrogen 2.929 N/A GLY 174.A N ALA 170.A O no hydrogen 2.905 N/A LEU 175.A N SER 171.A O no hydrogen 3.135 N/A THR 176.A N LYS 172.A O no hydrogen 3.145 N/A THR 176.A OG1 GLY 158.A O no hydrogen 2.912 N/A THR 176.A OG1 LYS 172.A O no hydrogen 3.368 N/A ALA 177.A N HIS 173.A O no hydrogen 3.150 N/A LEU 178.A N GLY 174.A O no hydrogen 2.973 N/A THR 179.A N LEU 175.A O no hydrogen 3.000 N/A THR 179.A OG1 LEU 175.A O no hydrogen 2.841 N/A ASN 180.A N THR 176.A O no hydrogen 3.132 N/A ASN 180.A ND2 GLN 260.A OE1 no hydrogen 3.079 N/A THR 181.A N ALA 177.A O no hydrogen 2.905 N/A THR 181.A OG1 ALA 177.A O no hydrogen 3.435 N/A LEU 182.A N LEU 178.A O no hydrogen 2.893 N/A ALA 183.A N THR 179.A O no hydrogen 2.875 N/A ILE 184.A N ASN 180.A O no hydrogen 3.262 N/A GLU 185.A N THR 181.A O no hydrogen 2.965 N/A LEU 186.A N LEU 182.A O no hydrogen 2.785 N/A TYR 189.A N LEU 186.A O no hydrogen 2.928 N/A GLY 190.A N GLY 187.A O no hydrogen 3.116 N/A ILE 191.A N LEU 186.A O no hydrogen 3.410 N/A ARG 192.A N GLY 148.A O no hydrogen 2.992 N/A ARG 192.A NH1 LEU 248.A O no hydrogen 3.514 N/A ARG 192.A NH1 SER 253.A OG no hydrogen 2.999 N/A ARG 192.A NH1 LEU 256.A O no hydrogen 3.344 N/A ARG 192.A NH2 LEU 248.A O no hydrogen 3.146 N/A VAL 193.A N THR 257.A OG1 no hydrogen 2.945 N/A ASN 194.A N ILE 150.A O no hydrogen 2.922 N/A ASN 194.A ND2 LEU 256.A O no hydrogen 2.995 N/A SER 195.A N THR 259.A O no hydrogen 2.932 N/A SER 195.A OG HIS 197.A NE2 no hydrogen 2.722 N/A SER 195.A OG THR 259.A O no hydrogen 3.454 N/A ILE 196.A N VAL 152.A O no hydrogen 3.054 N/A HIS 197.A N ILE 261.A O no hydrogen 2.790 N/A HIS 197.A ND1 SER 155.A O no hydrogen 2.847 N/A HIS 197.A NE2 SER 195.A OG no hydrogen 2.722 N/A TYR 199.A OH PRO 226.A O no hydrogen 2.559 N/A GLU 202.A N MET 236.A O no hydrogen 2.904 N/A MET 205.A N THR 203.A OG1 no hydrogen 3.376 N/A ILE 206.A N THR 203.A O no hydrogen 3.278 N/A MET 211.A N GLU 207.A O no hydrogen 3.274 N/A MET 212.A N PRO 208.A O no hydrogen 3.025 N/A GLU 213.A N GLU 209.A O no hydrogen 3.057 N/A ILE 214.A N ALA 210.A O no hydrogen 3.065 N/A PHE 215.A N MET 211.A O no hydrogen 2.916 N/A ALA 216.A N MET 212.A O no hydrogen 2.795 N/A ARG 217.A N GLU 213.A O no hydrogen 3.119 N/A HIS 218.A N ILE 214.A O no hydrogen 2.836 N/A PHE 221.A N HIS 218.A O no hydrogen 3.014 N/A VAL 222.A N PRO 219.A O no hydrogen 3.377 N/A HIS 223.A N SER 220.A O no hydrogen 3.366 N/A SER 224.A N PHE 221.A O no hydrogen 2.990 N/A PHE 225.A N VAL 222.A O no hydrogen 2.977 N/A VAL 230.A N LYS 265.A O no hydrogen 3.251 N/A GLN 231.A N MET 228.A O no hydrogen 2.959 N/A GLN 231.A NE2 ASN 233.A O no hydrogen 3.190 N/A GLN 231.A NE2 PHE 235.A O no hydrogen 2.916 N/A MET 236.A N SER 200.A O no hydrogen 2.999 N/A THR 237.A N GLU 240.A OE1 no hydrogen 2.871 N/A THR 237.A OG1 GLU 240.A OE1 no hydrogen 3.466 N/A GLU 240.A N THR 237.A O no hydrogen 3.063 N/A GLU 240.A N THR 237.A OG1 no hydrogen 3.123 N/A VAL 241.A N THR 237.A O no hydrogen 3.301 N/A ALA 242.A N ALA 238.A O no hydrogen 3.065 N/A ASP 243.A N GLU 240.A O no hydrogen 3.143 N/A VAL 244.A N VAL 241.A O no hydrogen 2.969 N/A VAL 245.A N VAL 241.A O no hydrogen 3.295 N/A ALA 246.A N ALA 242.A O no hydrogen 2.925 N/A TRP 247.A N ASP 243.A O no hydrogen 3.277 N/A LEU 248.A N VAL 244.A O no hydrogen 2.956 N/A ALA 249.A N VAL 245.A O no hydrogen 2.801 N/A GLY 250.A N TRP 247.A O no hydrogen 3.318 N/A SER 253.A N GLY 250.A O no hydrogen 3.325 N/A SER 253.A OG TRP 247.A O no hydrogen 2.907 N/A SER 253.A OG LEU 248.A O no hydrogen 3.006 N/A SER 253.A OG GLY 250.A O no hydrogen 3.068 N/A GLY 254.A N ASP 251.A O no hydrogen 3.015 N/A LEU 256.A N SER 253.A O no hydrogen 2.837 N/A THR 257.A OG1 VAL 193.A O no hydrogen 3.419 N/A GLY 258.A N VAL 193.A O no hydrogen 2.726 N/A THR 259.A N ASN 194.A OD1 no hydrogen 2.912 N/A THR 259.A OG1 ASN 194.A OD1 no hydrogen 2.830 N/A GLN 260.A NE2 ASN 180.A OD1 no hydrogen 2.859 N/A GLN 260.A NE2 SER 195.A OG no hydrogen 3.180 N/A GLN 260.A NE2 GLY 258.A O no hydrogen 3.562 N/A ILE 261.A N SER 195.A O no hydrogen 2.870 N/A VAL 263.A N HIS 197.A O no hydrogen 2.924 N/A LYS 265.A NZ GLN 231.A OE1 no hydrogen 2.696 N/A LYS 265.A NZ GLU 240.A OE2 no hydrogen 2.789 N/A GLY 266.A N ASP 264.A OD1 no hydrogen 2.942 N/A ALA 267.A N ASP 264.A O no hydrogen 3.113 N/A LEU 268.A N ASP 264.A OD2 no hydrogen 2.761 N/A LYS 269.A N GLY 266.A O no hydrogen 2.834 N/A TYR 270.A N ALA 267.A O no hydrogen 3.191 N/A