Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pny_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A NH1 GLU 49.A OE1 no hydrogen 3.563 N/A ARG 4.A NH1 GLU 49.A OE2 no hydrogen 3.078 N/A ARG 4.A NH2 GLU 49.A OE1 no hydrogen 3.251 N/A SER 6.A OG SER 8.A OG no hydrogen 2.800 N/A SER 8.A N SER 6.A OG no hydrogen 2.988 N/A SER 8.A OG SER 6.A OG no hydrogen 2.800 N/A ASP 9.A N SER 6.A O no hydrogen 3.195 N/A ILE 10.A N MET 7.A O.A no hydrogen 3.089 N/A ILE 10.A N MET 7.A O.B no hydrogen 2.760 N/A ASN 11.A N SER 8.A O no hydrogen 3.217 N/A ASN 11.A ND2 ASP 13.A OD1 no hydrogen 3.349 N/A ASP 13.A N ASN 11.A OD1 no hydrogen 2.867 N/A TRP 14.A NE1 LYS 80.A O no hydrogen 2.803 N/A VAL 15.A N LEU 12.A O no hydrogen 3.104 N/A ARG 18.A NH1 ASP 170.A OD2 no hydrogen 2.542 N/A GLN 19.A N ASP 16.A OD1 no hydrogen 2.844 N/A GLN 19.A NE2 SER 172.A O no hydrogen 3.612 N/A GLN 19.A NE2 SER 172.A OG no hydrogen 2.936 N/A GLN 19.A NE2 GLU 173.A OE2 no hydrogen 2.817 N/A LEU 20.A N ASP 16.A O no hydrogen 2.967 N/A GLN 21.A N ARG 17.A O no hydrogen 2.958 N/A ARG 22.A N ARG 18.A O no hydrogen 3.128 N/A ARG 22.A NH1 GLN 19.A OE1 no hydrogen 2.953 N/A ARG 22.A NH2 GLU 25.A OE2 no hydrogen 3.084 N/A LEU 23.A N LEU 20.A O no hydrogen 3.192 N/A GLU 24.A N GLN 21.A O no hydrogen 3.155 N/A GLU 25.A N ARG 22.A O no hydrogen 2.988 N/A LEU 27.A N ASP 40.A O no hydrogen 2.786 N/A VAL 29.A N GLY 38.A O no hydrogen 2.824 N/A VAL 30.A N LEU 56.A O no hydrogen 2.962 N/A ASP 31.A N LYS 35.A O no hydrogen 2.930 N/A ASN 33.A N ASP 31.A OD1 no hydrogen 2.920 N/A ASP 34.A N ASP 31.A O no hydrogen 2.958 N/A LYS 35.A N ASP 31.A OD1 no hydrogen 2.982 N/A ILE 37.A N VAL 29.A O no hydrogen 2.800 N/A GLY 38.A N VAL 29.A O no hydrogen 3.337 N/A ASP 40.A N LEU 27.A O no hydrogen 3.306 N/A THR 41.A N ASP 40.A OD1 no hydrogen 2.875 N/A LYS 42.A N GLU 25.A O no hydrogen 2.892 N/A ARG 43.A N LEU 23.A O no hydrogen 3.001 N/A ARG 43.A NE GLU 24.A OE2 no hydrogen 3.269 N/A ASN 44.A N THR 41.A OG1 no hydrogen 3.066 N/A ASN 44.A ND2 ASP 40.A OD1 no hydrogen 2.827 N/A CYS 45.A N THR 41.A O no hydrogen 2.893 N/A CYS 45.A SG ASP 40.A O no hydrogen 4.024 N/A CYS 45.A SG THR 41.A O no hydrogen 3.323 N/A HIS 46.A N LYS 42.A O no hydrogen 3.111 N/A HIS 46.A N ARG 43.A O no hydrogen 3.182 N/A HIS 46.A ND1 LYS 42.A O no hydrogen 2.874 N/A HIS 46.A NE2 HIS 94.A NE2 no hydrogen 3.042 N/A LEU 47.A N ASN 44.A O no hydrogen 3.395 N/A ASN 48.A N ILE 149.A O no hydrogen 2.770 N/A ASN 48.A ND2 ASP 147.A O no hydrogen 2.956 N/A ASN 48.A ND2 ARG 148.A O no hydrogen 3.050 N/A ASN 48.A ND2 TRP 150.A O no hydrogen 3.220 N/A ASN 50.A N LEU 47.A O no hydrogen 2.992 N/A ASN 50.A ND2 ASN 44.A O no hydrogen 3.008 N/A ILE 51.A N LEU 47.A O no hydrogen 2.978 N/A GLU 52.A N ASN 48.A O no hydrogen 2.836 N/A LYS 53.A N ASN 50.A O no hydrogen 2.996 N/A GLY 54.A N ILE 51.A O no hydrogen 2.855 N/A LEU 55.A N ASN 50.A O no hydrogen 3.192 N/A HIS 57.A N HIS 153.A O no hydrogen 3.378 N/A HIS 57.A NE2 HIS 94.A NE2 no hydrogen 3.085 N/A ARG 58.A N ILE 28.A O no hydrogen 2.940 N/A ARG 58.A NE ASP 34.A OD1 no hydrogen 2.757 N/A ARG 58.A NH1 GLU 104.A OE2 no hydrogen 3.384 N/A ARG 58.A NH2 ASP 34.A O no hydrogen 2.905 N/A ARG 58.A NH2 ASP 34.A OD1 no hydrogen 3.260 N/A ARG 58.A NH2 GLU 104.A OE2 no hydrogen 2.833 N/A ALA 59.A N ILE 155.A O no hydrogen 2.946 N/A PHE 60.A N SER 93.A O no hydrogen 2.852 N/A SER 61.A N TYR 157.A O no hydrogen 2.832 N/A SER 61.A OG ASP 89.A OD2 no hydrogen 2.941 N/A SER 61.A OG TYR 140.A OH no hydrogen 2.750 N/A VAL 62.A N CYS 91.A O no hydrogen 2.748 N/A VAL 63.A N LEU 159.A O no hydrogen 2.770 N/A LEU 64.A N SER 90.A OG no hydrogen 2.816 N/A PHE 65.A N VAL 161.A O no hydrogen 2.840 N/A ASN 66.A N ARG 70.A O no hydrogen 2.901 N/A THR 67.A N ASN 164.A OD1 no hydrogen 2.901 N/A LYS 68.A N ASN 66.A OD1 no hydrogen 2.979 N/A ASN 69.A N ASN 66.A O no hydrogen 2.968 N/A ARG 70.A N ASN 66.A OD1 no hydrogen 2.995 N/A ARG 70.A NH1 TYR 179.A O no hydrogen 3.019 N/A ARG 70.A NH1 GLU 184.A OE1 no hydrogen 2.750 N/A ILE 71.A N LEU 180.A O no hydrogen 2.768 N/A LEU 72.A N LEU 64.A O no hydrogen 2.841 N/A ILE 73.A N LEU 178.A O no hydrogen 2.736 N/A GLN 74.A N ASP 89.A O no hydrogen 3.305 N/A GLN 74.A NE2 SER 90.A O no hydrogen 2.769 N/A GLN 74.A NE2 GLU 121.A OE1 no hydrogen 2.823 N/A GLN 75.A N SER 176.A O no hydrogen 2.839 N/A GLN 75.A NE2 GLY 85.A O no hydrogen 3.067 N/A ARG 76.A N TYR 86.A O no hydrogen 2.855 N/A ARG 76.A NE THR 82.A O no hydrogen 2.973 N/A ARG 76.A NE PHE 83.A O no hydrogen 3.199 N/A ARG 76.A NH2 THR 82.A O no hydrogen 2.970 N/A SER 77.A N.A GLU 173.A O no hydrogen 2.941 N/A SER 77.A N.B GLU 173.A O no hydrogen 2.928 N/A SER 77.A OG.A THR 79.A OG1 no hydrogen 2.940 N/A SER 77.A OG.A SER 172.A O no hydrogen 2.658 N/A SER 77.A OG.B THR 79.A OG1 no hydrogen 2.682 N/A SER 77.A OG.B PRO 171.A O no hydrogen 2.928 N/A SER 77.A OG.B SER 172.A O no hydrogen 3.403 N/A THR 79.A N SER 77.A OG.A no hydrogen 3.327 N/A THR 79.A N SER 77.A OG.B no hydrogen 3.174 N/A THR 79.A OG1 ASP 16.A OD2 no hydrogen 3.482 N/A THR 79.A OG1 SER 77.A OG.A no hydrogen 2.940 N/A THR 79.A OG1 SER 77.A OG.B no hydrogen 2.682 N/A THR 79.A OG1 SER 172.A O no hydrogen 2.794 N/A LYS 80.A N SER 77.A O.A no hydrogen 3.493 N/A LYS 80.A N SER 77.A O.B no hydrogen 3.287 N/A LYS 80.A NZ GLN 19.A OE1 no hydrogen 2.939 N/A LYS 80.A NZ GLU 173.A OE1 no hydrogen 2.738 N/A PHE 83.A N SER 146.A OG no hydrogen 2.780 N/A GLY 85.A N SER 77.A O.A no hydrogen 2.999 N/A GLY 85.A N SER 77.A O.B no hydrogen 3.197 N/A TYR 86.A N PHE 83.A O no hydrogen 3.232 N/A PHE 87.A N LYS 198.A O no hydrogen 2.867 N/A THR 88.A N GLN 74.A O no hydrogen 2.812 N/A THR 88.A OG1 THR 200.A OG1 no hydrogen 2.788 N/A ASP 89.A N THR 88.A OG1 no hydrogen 2.792 N/A SER 90.A N VAL 62.A O no hydrogen 2.989 N/A SER 90.A OG LEU 72.A O no hydrogen 2.629 N/A CYS 91.A N ASP 89.A OD1 no hydrogen 3.087 N/A CYS 91.A SG GLU 121.A OE1 no hydrogen 3.542 N/A SER 93.A N PHE 60.A O no hydrogen 3.165 N/A HIS 94.A NE2 GLU 154.A OE2 no hydrogen 2.815 N/A LEU 96.A N GLU 101.A OE1 no hydrogen 2.899 N/A TYR 97.A N MET 26.A O no hydrogen 2.885 N/A ASN 98.A N LEU 96.A O no hydrogen 2.923 N/A GLU 101.A N ASN 98.A OD1 no hydrogen 2.973 N/A LEU 102.A N ASN 98.A O no hydrogen 2.955 N/A LYS 105.A NZ GLU 103.A OE1 no hydrogen 3.075 N/A ALA 107.A N GLU 104.A O no hydrogen 2.905 N/A ILE 108.A N LYS 105.A O.A no hydrogen 3.048 N/A ILE 108.A N LYS 105.A O.B no hydrogen 2.956 N/A GLY 109.A N GLU 103.A O no hydrogen 2.844 N/A ARG 111.A N ALA 107.A O no hydrogen 2.991 N/A ARG 111.A NE ILE 134.A O no hydrogen 2.954 N/A ARG 111.A NH1 ASP 106.A O no hydrogen 2.845 N/A ARG 111.A NH2 PRO 131.A O no hydrogen 2.890 N/A ARG 111.A NH2 GLU 132.A OE2 no hydrogen 3.418 N/A ARG 112.A N ILE 108.A O no hydrogen 2.780 N/A ARG 112.A NH1 GLU 103.A OE2 no hydrogen 3.465 N/A ARG 112.A NH2 ALA 100.A O no hydrogen 2.795 N/A ARG 112.A NH2 GLU 103.A OE2 no hydrogen 2.797 N/A ALA 113.A N GLY 109.A O no hydrogen 3.039 N/A ALA 114.A N VAL 110.A O no hydrogen 2.863 N/A GLN 115.A N.A ARG 111.A O no hydrogen 3.011 N/A GLN 115.A N.B ARG 111.A O no hydrogen 2.986 N/A GLN 115.A NE2.A GLN 119.A OE1 no hydrogen 2.928 N/A GLN 115.A NE2.B ILE 129.A O no hydrogen 3.002 N/A ARG 116.A N ARG 112.A O no hydrogen 2.996 N/A ARG 116.A NE GLU 101.A OE2 no hydrogen 2.733 N/A ARG 116.A NH2 HIS 94.A O no hydrogen 3.188 N/A ARG 116.A NH2 GLU 101.A OE1 no hydrogen 2.822 N/A ARG 117.A N ALA 113.A O no hydrogen 2.909 N/A ARG 117.A NE GLU 121.A OE2 no hydrogen 3.390 N/A ARG 117.A NH2 GLU 121.A OE2 no hydrogen 3.151 N/A ARG 117.A NH2 GLU 173.A OE2 no hydrogen 2.898 N/A LEU 118.A N ALA 114.A O no hydrogen 2.814 N/A GLN 119.A N GLN 115.A O.A no hydrogen 2.913 N/A GLN 119.A N GLN 115.A O.B no hydrogen 3.146 N/A ALA 120.A N ARG 116.A O no hydrogen 2.882 N/A GLU 121.A N ARG 117.A O no hydrogen 2.837 N/A LEU 122.A N LEU 118.A O no hydrogen 3.127 N/A GLY 123.A N GLN 119.A O no hydrogen 2.938 N/A ILE 124.A N LEU 118.A O no hydrogen 3.318 N/A GLU 127.A N GLU 127.A OE1 no hydrogen 2.640 N/A GLN 128.A N PRO 125.A O no hydrogen 2.971 N/A GLN 128.A NE2 THR 166.A OG1 no hydrogen 2.801 N/A ILE 129.A N PRO 125.A O no hydrogen 3.317 N/A SER 130.A N ASP 133.A OD2 no hydrogen 3.011 N/A SER 130.A OG ASP 133.A OD2 no hydrogen 3.477 N/A GLU 132.A N SER 130.A OG no hydrogen 3.324 N/A ASP 133.A N SER 130.A O no hydrogen 2.935 N/A ILE 134.A N PRO 131.A O no hydrogen 3.014 N/A VAL 135.A N LEU 160.A O no hydrogen 2.764 N/A MET 137.A N LEU 158.A O no hydrogen 2.927 N/A THR 138.A N LEU 158.A O no hydrogen 3.471 N/A THR 138.A OG1 GLU 226.A OE1 no hydrogen 2.782 N/A ILE 139.A N THR 138.A OG1 no hydrogen 2.810 N/A TYR 140.A N CYS 156.A O no hydrogen 2.876 N/A TYR 140.A OH SER 61.A OG no hydrogen 2.750 N/A HIS 141.A N HIS 231.A O no hydrogen 2.674 N/A HIS 141.A NE2 HIS 153.A NE2 no hydrogen 3.011 N/A HIS 142.A N GLU 154.A O no hydrogen 3.106 N/A LYS 143.A NZ GLU 52.A OE1 no hydrogen 2.992 N/A ALA 144.A N GLU 152.A O no hydrogen 3.003 N/A SER 146.A N TRP 150.A O no hydrogen 2.824 N/A ASP 147.A N TRP 150.A O no hydrogen 3.140 N/A ARG 148.A NH2 ASP 9.A OD1 no hydrogen 2.386 N/A ILE 149.A N ASP 147.A OD1 no hydrogen 2.817 N/A TRP 150.A N ASP 147.A OD1 no hydrogen 2.787 N/A GLY 151.A N HIS 46.A O no hydrogen 2.849 N/A GLU 152.A N ALA 144.A O no hydrogen 2.797 N/A HIS 153.A ND1 LEU 55.A O no hydrogen 2.812 N/A GLU 154.A N HIS 142.A O no hydrogen 3.084 N/A ILE 155.A N HIS 57.A O no hydrogen 2.987 N/A CYS 156.A N TYR 140.A O no hydrogen 2.761 N/A CYS 156.A SG SER 61.A OG no hydrogen 3.532 N/A CYS 156.A SG TYR 140.A OH no hydrogen 3.458 N/A CYS 156.A SG GLU 154.A OE1 no hydrogen 3.865 N/A CYS 156.A SG TYR 157.A O no hydrogen 3.945 N/A TYR 157.A N ALA 59.A O no hydrogen 2.820 N/A TYR 157.A OH ASP 34.A OD2 no hydrogen 2.405 N/A LEU 158.A N THR 138.A O no hydrogen 2.787 N/A LEU 159.A N SER 61.A O no hydrogen 2.826 N/A LEU 160.A N VAL 135.A O no hydrogen 2.895 N/A VAL 161.A N VAL 63.A O no hydrogen 2.992 N/A ARG 162.A NH1.B ASN 69.A OD1 no hydrogen 2.553 N/A ARG 162.A NH2.B ASN 69.A OD1 no hydrogen 2.885 N/A LYS 163.A N PHE 65.A O no hydrogen 2.906 N/A LYS 163.A NZ GLN 128.A O no hydrogen 2.550 N/A ASN 164.A ND2 THR 67.A OG1 no hydrogen 2.914 N/A THR 166.A N GLN 128.A OE1 no hydrogen 2.908 N/A ASN 168.A N LEU 122.A O no hydrogen 2.743 N/A ASP 170.A N GLU 121.A O no hydrogen 2.862 N/A SER 172.A N ASP 170.A OD1 no hydrogen 2.912 N/A SER 172.A OG ASP 16.A OD1 no hydrogen 3.267 N/A SER 172.A OG ASP 16.A OD2 no hydrogen 2.615 N/A GLU 173.A N ASP 170.A O no hydrogen 2.843 N/A THR 174.A N ASP 170.A O no hydrogen 2.836 N/A THR 174.A OG1 GLN 74.A OE1 no hydrogen 2.891 N/A LYS 175.A N GLN 75.A O no hydrogen 2.859 N/A LYS 175.A NZ ASP 78.A OD2 no hydrogen 2.918 N/A SER 176.A OG GLN 75.A OE1 no hydrogen 2.716 N/A LEU 178.A N ILE 73.A O no hydrogen 2.936 N/A LEU 180.A N ILE 71.A O no hydrogen 2.863 N/A SER 181.A N GLU 184.A OE1 no hydrogen 2.955 N/A SER 181.A OG GLU 183.A OE1.A no hydrogen 3.533 N/A GLN 182.A NE2 TYR 212.A O no hydrogen 3.581 N/A GLU 184.A N SER 181.A OG no hydrogen 3.002 N/A LEU 185.A N SER 181.A O no hydrogen 2.901 N/A TRP 186.A N GLN 182.A O no hydrogen 2.994 N/A GLU 187.A N GLU 183.A O.A no hydrogen 2.957 N/A GLU 187.A N GLU 183.A O.B no hydrogen 3.037 N/A LEU 188.A N GLU 184.A O no hydrogen 2.782 N/A LEU 189.A N LEU 185.A O no hydrogen 3.063 N/A GLU 190.A N TRP 186.A O no hydrogen 2.939 N/A ARG 191.A N GLU 187.A O no hydrogen 2.908 N/A ARG 191.A NE GLU 187.A OE2 no hydrogen 2.865 N/A ARG 191.A NH1 GLU 196.A OE1 no hydrogen 2.775 N/A ARG 191.A NH2 GLU 187.A OE2 no hydrogen 2.839 N/A GLU 192.A N LEU 188.A O no hydrogen 2.842 N/A ALA 193.A N LEU 189.A O no hydrogen 2.961 N/A ARG 194.A N GLU 190.A O no hydrogen 3.369 N/A ARG 194.A NH1 GLU 196.A OE2 no hydrogen 2.890 N/A GLY 195.A N ARG 191.A O no hydrogen 3.202 N/A GLY 195.A N GLU 192.A O no hydrogen 2.948 N/A GLU 196.A N ARG 191.A O no hydrogen 2.958 N/A LYS 198.A NZ TYR 86.A OH no hydrogen 3.292 N/A THR 200.A N PHE 87.A O no hydrogen 2.825 N/A THR 200.A OG1 PHE 87.A O no hydrogen 3.526 N/A THR 200.A OG1 THR 88.A OG1 no hydrogen 2.788 N/A TRP 202.A NE1 ASP 89.A OD2 no hydrogen 2.853 N/A LEU 203.A N THR 200.A O no hydrogen 3.145 N/A ARG 204.A NH1 GLU 208.A OE2 no hydrogen 3.143 N/A ARG 204.A NH2 LEU 189.A O no hydrogen 2.813 N/A ARG 204.A NH2 GLU 192.A OE1 no hydrogen 2.839 N/A THR 205.A N PRO 201.A O no hydrogen 3.389 N/A THR 205.A OG1 PRO 201.A O no hydrogen 3.358 N/A ILE 206.A N TRP 202.A O no hydrogen 2.862 N/A ALA 207.A N LEU 203.A O no hydrogen 2.929 N/A GLU 208.A N ARG 204.A O no hydrogen 2.882 N/A ARG 209.A N THR 205.A O no hydrogen 2.922 N/A PHE 210.A N ILE 206.A O no hydrogen 2.924 N/A LEU 211.A N ILE 206.A O no hydrogen 2.895 N/A TYR 212.A N ALA 207.A O no hydrogen 3.081 N/A TRP 214.A N PHE 210.A O no hydrogen 3.025 N/A TRP 215.A N LEU 211.A O no hydrogen 2.882 N/A TRP 215.A NE1 ASN 69.A O no hydrogen 2.813 N/A HIS 217.A N TRP 214.A O no hydrogen 2.761 N/A ASP 220.A N.A HIS 217.A O no hydrogen 2.978 N/A ASP 220.A N.B HIS 217.A O no hydrogen 2.888 N/A THR 222.A N ASP 220.A OD1.A no hydrogen 3.044 N/A THR 222.A OG1 ASP 220.A OD1.A no hydrogen 2.723 N/A PHE 224.A N VAL 221.A O no hydrogen 2.874 N/A VAL 225.A N THR 222.A O no hydrogen 3.247 N/A GLU 226.A N MET 137.A O no hydrogen 2.798 N/A HIS 231.A N ILE 139.A O no hydrogen 2.826 N/A HIS 231.A NE2 GLU 226.A OE1 no hydrogen 2.660 N/A ARG 232.A NH1 GLU 32.A O no hydrogen 2.975 N/A ARG 232.A NH1 HIS 141.A ND1 no hydrogen 2.896 N/A ARG 232.A NH2 GLU 32.A O no hydrogen 2.971 N/A VAL 233.A N HIS 141.A O no hydrogen 3.004 N/A