Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7pyn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 1.A N HIS 1.A ND1 no hydrogen 3.035 N/A HIS 1.A N TYR 164.A OH no hydrogen 3.254 N/A THR 2.A OG1 TYR 65.A O no hydrogen 3.037 N/A THR 2.A OG1 ILE 73.A O no hydrogen 2.873 N/A LEU 3.A N TYR 65.A O no hydrogen 2.904 N/A TRP 5.A N GLU 63.A O no hydrogen 2.751 N/A VAL 7.A N TYR 21.A OH no hydrogen 2.884 N/A TRP 8.A N THR 61.A O no hydrogen 2.845 N/A TRP 8.A NE1 GLU 63.A OE1 no hydrogen 2.882 N/A VAL 9.A N VAL 12.A O no hydrogen 2.874 N/A ASN 10.A N THR 59.A O no hydrogen 2.823 N/A ASN 10.A ND2 ASP 58.A OD1 no hydrogen 2.913 N/A VAL 12.A N VAL 9.A O no hydrogen 2.953 N/A GLN 14.A N VAL 7.A O no hydrogen 2.869 N/A GLN 14.A NE2 VAL 12.A O no hydrogen 2.975 N/A GLY 15.A N ASP 13.A OD1 no hydrogen 2.888 N/A GLY 17.A N TRP 5.A O no hydrogen 2.841 N/A ARG 18.A N ASP 16.A OD1 no hydrogen 3.006 N/A ARG 18.A NE ASP 16.A OD1 no hydrogen 2.910 N/A ARG 18.A NH1 TYR 65.A OH no hydrogen 3.128 N/A ARG 18.A NH2 ASP 16.A OD2 no hydrogen 2.805 N/A ASN 19.A N SER 24.A OG no hydrogen 3.090 N/A ILE 20.A N GLY 17.A O no hydrogen 2.835 N/A TYR 21.A N GLY 17.A O no hydrogen 2.986 N/A TYR 21.A OH GLY 15.A O no hydrogen 2.597 N/A ILE 22.A N GLY 17.A O no hydrogen 2.953 N/A ARG 23.A N CYS 167.A O no hydrogen 2.945 N/A ARG 23.A NE GLN 169.A OE1 no hydrogen 2.834 N/A ARG 23.A NH1 ASN 45.A OD1 no hydrogen 2.786 N/A ARG 23.A NH1 ASN 92.A OD1 no hydrogen 2.819 N/A ARG 23.A NH2 GLN 169.A OE1 no hydrogen 3.069 N/A SER 24.A OG ILE 22.A O no hydrogen 3.435 N/A ASN 28.A ND2 HIS 66.A O no hydrogen 3.022 N/A VAL 31.A N PHE 163.A O no hydrogen 2.927 N/A LYS 32.A NZ PRO 157.A O no hydrogen 2.916 N/A LYS 32.A NZ ARG 159.A O no hydrogen 3.067 N/A THR 35.A N ASN 33.A OD1 no hydrogen 3.180 N/A THR 35.A OG1 ASN 33.A OD1 no hydrogen 3.257 N/A SER 36.A N ASN 33.A O no hydrogen 2.971 N/A ASP 38.A N SER 36.A OG no hydrogen 2.943 N/A MET 39.A N SER 36.A O no hydrogen 2.974 N/A THR 40.A N PRO 37.A O no hydrogen 3.144 N/A THR 40.A OG1 PRO 37.A O no hydrogen 3.157 N/A THR 40.A OG1 PHE 187.A O no hydrogen 2.615 N/A ASN 42.A N ASP 38.A O no hydrogen 2.836 N/A ASN 45.A ND2 ASN 92.A O no hydrogen 3.355 N/A ASN 45.A ND2 ASN 92.A OD1 no hydrogen 3.484 N/A ARG 46.A NH1 SER 24.A O no hydrogen 2.860 N/A ARG 46.A NH1 ASP 44.A O no hydrogen 2.988 N/A ARG 46.A NH2 ASN 19.A OD1 no hydrogen 2.827 N/A VAL 48.A N GLN 169.A OE1 no hydrogen 3.018 N/A LYS 50.A N ILE 20.A O no hydrogen 2.928 N/A SER 51.A OG THR 171.A OG1 no hydrogen 2.710 N/A VAL 52.A N GLN 169.A O no hydrogen 2.901 N/A VAL 54.A N THR 171.A O no hydrogen 2.842 N/A ASN 55.A N ASP 58.A OD2 no hydrogen 2.816 N/A ALA 56.A N SER 174.A O no hydrogen 2.844 N/A GLY 57.A N VAL 129.A O no hydrogen 2.853 N/A ASP 58.A N ASN 55.A O no hydrogen 3.009 N/A THR 59.A N ASN 10.A OD1 no hydrogen 2.869 N/A LEU 60.A N VAL 127.A O no hydrogen 2.891 N/A THR 61.A N TRP 8.A O no hydrogen 2.877 N/A THR 61.A OG1 SER 126.A OG no hydrogen 2.726 N/A PHE 62.A N HIS 125.A O no hydrogen 2.818 N/A GLU 63.A N GLY 6.A O no hydrogen 2.989 N/A TRP 64.A N GLY 123.A O no hydrogen 2.832 N/A TYR 65.A N LEU 3.A O no hydrogen 2.800 N/A HIS 66.A N ASP 71.A OD1 no hydrogen 2.973 N/A HIS 66.A ND1 ASP 72.A OD1 no hydrogen 2.970 N/A HIS 66.A ND1 ASP 72.A OD2 no hydrogen 2.960 N/A ASN 67.A N ASP 71.A OD2 no hydrogen 2.734 N/A THR 68.A N ASP 71.A OD2 no hydrogen 2.990 N/A ARG 69.A NE GLU 63.A OE2 no hydrogen 2.845 N/A ARG 69.A NH1 ASP 13.A OD2 no hydrogen 3.456 N/A ARG 69.A NH1 GLU 235.A OE1 no hydrogen 2.873 N/A ARG 69.A NH2 ASP 13.A OD2 no hydrogen 2.891 N/A ARG 69.A NH2 GLU 63.A OE1 no hydrogen 2.864 N/A ILE 73.A N ASP 71.A OD1 no hydrogen 2.904 N/A ILE 74.A N ASP 72.A O no hydrogen 2.877 N/A SER 77.A OG HIS 78.A ND1 no hydrogen 2.864 N/A HIS 78.A N ALA 75.A O no hydrogen 2.994 N/A HIS 78.A ND1 SER 77.A OG no hydrogen 2.864 N/A HIS 79.A N SER 77.A O no hydrogen 2.879 N/A HIS 79.A ND1 ASP 116.A OD1 no hydrogen 2.659 N/A ILE 82.A N ASP 104.A O no hydrogen 2.863 N/A ALA 83.A N GLU 142.A O no hydrogen 2.901 N/A VAL 84.A N PHE 102.A O no hydrogen 3.127 N/A TYR 85.A N ARG 140.A O no hydrogen 2.833 N/A TYR 85.A OH TYR 191.A OH no hydrogen 2.732 N/A ILE 86.A N VAL 99.A O no hydrogen 2.836 N/A ALA 87.A N LEU 138.A O no hydrogen 2.998 N/A ALA 89.A N ASP 136.A O no hydrogen 2.881 N/A SER 91.A N PRO 88.A O no hydrogen 3.179 N/A SER 91.A OG PRO 88.A O no hydrogen 2.660 N/A ASN 92.A N ALA 89.A O no hydrogen 2.912 N/A GLY 93.A N SER 91.A OG no hydrogen 2.948 N/A GLN 94.A N SER 91.A O no hydrogen 2.909 N/A VAL 97.A N VAL 185.A O no hydrogen 3.350 N/A TRP 98.A N VAL 185.A O no hydrogen 2.910 N/A TRP 98.A NE1 GLY 93.A O no hydrogen 3.012 N/A VAL 99.A N ILE 86.A O no hydrogen 2.936 N/A LYS 100.A NZ GLU 103.A OE1 no hydrogen 2.763 N/A LYS 100.A NZ PRO 213.A O no hydrogen 3.053 N/A LYS 100.A NZ PRO 215.A O no hydrogen 2.773 N/A LEU 101.A N VAL 84.A O no hydrogen 2.759 N/A ASP 104.A N ILE 82.A O no hydrogen 2.946 N/A ASN 107.A N THR 112.A O no hydrogen 2.811 N/A ASN 110.A N ASN 107.A OD1 no hydrogen 2.878 N/A SER 111.A N VAL 108.A O no hydrogen 3.263 N/A THR 112.A N ASN 107.A O no hydrogen 3.276 N/A THR 112.A OG1 ASN 110.A OD1 no hydrogen 2.616 N/A TRP 113.A N ASP 116.A OD2 no hydrogen 2.999 N/A ALA 114.A N ALA 105.A O no hydrogen 2.876 N/A VAL 115.A N GLY 80.A O no hydrogen 3.174 N/A ARG 117.A N TRP 113.A O no hydrogen 3.186 N/A ARG 117.A NE THR 112.A OG1 no hydrogen 2.750 N/A ARG 117.A NH1 ASP 104.A OD1 no hydrogen 3.500 N/A ARG 117.A NH1 ASP 104.A OD2 no hydrogen 2.897 N/A ARG 117.A NH2 ASP 104.A OD1 no hydrogen 2.863 N/A ARG 117.A NH2 THR 112.A O no hydrogen 3.127 N/A LEU 118.A N ALA 114.A O no hydrogen 2.779 N/A ILE 119.A N VAL 115.A O no hydrogen 3.077 N/A THR 120.A N ASP 116.A O no hydrogen 3.346 N/A THR 120.A OG1 ASP 116.A O no hydrogen 3.363 N/A ALA 121.A N ARG 117.A O no hydrogen 2.946 N/A HIS 122.A N ILE 119.A O no hydrogen 2.984 N/A HIS 122.A ND1 ASP 70.A OD1 no hydrogen 2.700 N/A GLY 123.A N LEU 118.A O no hydrogen 2.866 N/A GLN 124.A N ALA 121.A O no hydrogen 3.144 N/A GLN 124.A NE2 GLY 230.A O no hydrogen 2.879 N/A HIS 125.A N PHE 62.A O no hydrogen 3.147 N/A SER 126.A N SER 225.A O no hydrogen 2.815 N/A SER 126.A OG THR 61.A OG1 no hydrogen 2.726 N/A VAL 127.A N LEU 60.A O no hydrogen 2.849 N/A VAL 128.A N GLY 223.A O no hydrogen 3.016 N/A VAL 129.A N ASP 58.A O no hydrogen 2.865 N/A HIS 131.A ND1 ASP 176.A OD1 no hydrogen 2.757 N/A GLY 135.A N ILE 172.A O no hydrogen 2.921 N/A TYR 137.A N ILE 170.A O no hydrogen 2.806 N/A TYR 137.A OH ALA 133.A O no hydrogen 2.570 N/A LEU 138.A N ALA 87.A O no hydrogen 2.866 N/A PHE 139.A N ALA 168.A O no hydrogen 2.942 N/A ARG 140.A N TYR 85.A O no hydrogen 2.788 N/A ARG 140.A NE MET 39.A O no hydrogen 3.298 N/A ARG 140.A NE THR 40.A O no hydrogen 2.858 N/A ARG 140.A NH1 GLU 142.A OE2 no hydrogen 2.877 N/A ARG 140.A NH2 MET 39.A O no hydrogen 2.810 N/A ARG 140.A NH2 GLU 142.A OE2 no hydrogen 2.910 N/A ALA 141.A N SER 166.A O no hydrogen 2.849 N/A GLU 142.A N ALA 83.A O no hydrogen 2.896 N/A ILE 143.A N TYR 164.A O no hydrogen 2.912 N/A ILE 144.A N PRO 81.A O no hydrogen 3.070 N/A ALA 145.A N GLN 162.A O no hydrogen 2.849 N/A LEU 146.A N HIS 79.A O no hydrogen 2.830 N/A ALA 149.A N LEU 146.A O no hydrogen 3.073 N/A SER 154.A OG ASP 193.A OD2 no hydrogen 2.603 N/A GLN 155.A N LEU 152.A O no hydrogen 2.900 N/A ASN 156.A N LEU 152.A O no hydrogen 2.920 N/A ILE 158.A N ASN 156.A OD1 no hydrogen 3.036 N/A ARG 159.A N ASN 156.A O no hydrogen 2.979 N/A ARG 159.A NE ASP 150.A OD1 no hydrogen 3.211 N/A ARG 159.A NH2 ASP 150.A OD1 no hydrogen 2.797 N/A GLY 160.A N GLU 148.A O no hydrogen 2.885 N/A GLN 162.A N ALA 145.A O no hydrogen 3.073 N/A PHE 163.A N VAL 31.A O no hydrogen 2.813 N/A TYR 164.A N ILE 143.A O no hydrogen 2.833 N/A TYR 164.A OH HIS 1.A ND1 no hydrogen 3.343 N/A TYR 164.A OH GLN 162.A OE1 no hydrogen 2.620 N/A SER 166.A N ALA 141.A O no hydrogen 2.896 N/A CYS 167.A SG THR 40.A O no hydrogen 3.730 N/A ALA 168.A N PHE 139.A O no hydrogen 2.813 N/A GLN 169.A N TYR 21.A O no hydrogen 2.841 N/A GLN 169.A NE2 VAL 48.A O no hydrogen 2.882 N/A GLN 169.A NE2 LYS 50.A O no hydrogen 2.877 N/A ILE 170.A N TYR 137.A O no hydrogen 3.002 N/A THR 171.A N VAL 52.A O no hydrogen 2.780 N/A THR 171.A OG1 SER 51.A OG no hydrogen 2.710 N/A THR 171.A OG1 ASP 136.A OD1 no hydrogen 2.750 N/A ILE 172.A N GLY 135.A O no hydrogen 2.816 N/A ASN 173.A N VAL 54.A O no hydrogen 2.880 N/A SER 174.A N ASN 55.A OD1 no hydrogen 2.978 N/A SER 175.A OG VAL 132.A O no hydrogen 2.597 N/A ASP 177.A N SER 175.A OG no hydrogen 3.275 N/A SER 178.A N ASP 176.A OD1 no hydrogen 3.099 N/A SER 178.A OG HIS 131.A ND1 no hydrogen 3.420 N/A SER 178.A OG ASP 176.A OD1 no hydrogen 3.300 N/A THR 179.A N HIS 131.A O no hydrogen 2.973 N/A THR 179.A OG1 HIS 131.A O no hydrogen 3.177 N/A GLY 184.A N ASN 96.A O no hydrogen 2.942 N/A VAL 185.A N TRP 98.A O no hydrogen 2.872 N/A ALA 190.A N PRO 186.A O no hydrogen 2.854 N/A TYR 191.A OH TYR 85.A OH no hydrogen 2.732 N/A TYR 191.A OH GLU 142.A OE1 no hydrogen 2.539 N/A THR 192.A N THR 195.A OG1 no hydrogen 2.759 N/A THR 192.A OG1 SER 194.A OG no hydrogen 3.160 N/A THR 192.A OG1 THR 195.A OG1 no hydrogen 3.295 N/A SER 194.A N THR 192.A OG1 no hydrogen 3.253 N/A SER 194.A OG THR 192.A OG1 no hydrogen 3.160 N/A THR 195.A N THR 192.A O no hydrogen 2.964 N/A THR 195.A OG1 THR 192.A O no hydrogen 3.195 N/A THR 195.A OG1 THR 192.A OG1 no hydrogen 3.295 N/A ILE 198.A N THR 195.A O no hydrogen 3.340 N/A GLN 199.A NE2 ASP 150.A O no hydrogen 2.967 N/A PHE 200.A N ALA 149.A O no hydrogen 2.857 N/A TYR 203.A N ASN 201.A OD1 no hydrogen 2.853 N/A THR 204.A N ASN 201.A OD1 no hydrogen 3.057 N/A THR 205.A N ASN 201.A O no hydrogen 2.743 N/A THR 205.A OG1 ASN 201.A O no hydrogen 3.466 N/A SER 209.A N PRO 206.A O no hydrogen 2.927 N/A TYR 210.A N ALA 207.A O no hydrogen 3.031 N/A TYR 210.A OH GLY 197.A O no hydrogen 2.696 N/A TRP 218.A N LYS 100.A O no hydrogen 2.876 N/A ALA 221.A N TRP 218.A O no hydrogen 2.995 N/A SER 225.A N SER 126.A O no hydrogen 3.077 N/A ALA 227.A N GLN 124.A O no hydrogen 3.196 N/A GLN 228.A NE2 GLY 230.A O no hydrogen 3.374 N/A VAL 229.A N GLN 124.A OE1 no hydrogen 2.774 N/A GLY 230.A N GLN 124.A OE1 no hydrogen 3.017 N/A SER 233.A N ASP 231.A OD1 no hydrogen 2.974 N/A SER 233.A OG ASP 231.A OD1 no hydrogen 2.493 N/A LEU 234.A N ASP 231.A O no hydrogen 3.228 N/A GLU 235.A N ALA 232.A O no hydrogen 3.142 N/A