Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pnl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A N LYS 1.A O no hydrogen 3.078 N/A VAL 6.A N GLU 2.A O no hydrogen 3.339 N/A GLU 7.A N PHE 3.A O no hydrogen 2.803 N/A GLU 8.A N GLN 4.A O no hydrogen 2.895 N/A GLU 9.A N SER 5.A O no hydrogen 3.089 N/A MET 10.A N VAL 6.A O no hydrogen 3.001 N/A GLN 11.A N GLU 7.A O no hydrogen 2.927 N/A GLN 11.A NE2 GLU 7.A OE1 no hydrogen 3.177 N/A GLN 11.A NE2 TYR 30.A O no hydrogen 2.827 N/A SER 12.A N GLU 8.A O no hydrogen 2.896 N/A SER 12.A OG GLU 8.A O no hydrogen 2.777 N/A THR 13.A OG1 GLU 9.A O no hydrogen 2.754 N/A THR 13.A OG1 MET 10.A O no hydrogen 3.539 N/A THR 13.A OG1 SER 103.A OG no hydrogen 3.354 N/A VAL 14.A N GLN 11.A O no hydrogen 3.478 N/A ARG 15.A N SER 104.A OG no hydrogen 2.978 N/A ARG 15.A NH1 SER 12.A O no hydrogen 3.077 N/A ARG 15.A NH1 VAL 14.A O no hydrogen 2.757 N/A HIS 17.A NE2 SER 104.A OG no hydrogen 2.710 N/A GLY 20.A N HIS 17.A O no hydrogen 3.012 N/A GLY 21.A N ASP 19.A OD1 no hydrogen 3.015 N/A HIS 22.A N ASP 19.A O no hydrogen 3.150 N/A ALA 23.A N ASP 19.A OD2 no hydrogen 2.797 N/A GLY 25.A N GLY 21.A O no hydrogen 2.818 N/A ILE 26.A N SER 126.A OG no hydrogen 2.990 N/A ARG 29.A NE TYR 30.A O no hydrogen 2.972 N/A ARG 29.A NH2 TYR 30.A O no hydrogen 2.998 N/A TYR 30.A N GLN 11.A OE1 no hydrogen 2.854 N/A TYR 30.A OH SER 103.A OG no hydrogen 2.786 N/A ASN 31.A N GLN 194.A O no hydrogen 2.828 N/A ASN 31.A ND2 GLN 194.A OE1 no hydrogen 2.942 N/A LEU 33.A N THR 192.A O no hydrogen 2.808 N/A LYS 34.A N THR 192.A O no hydrogen 3.089 N/A GLN 36.A N LEU 190.A O no hydrogen 2.934 N/A LYS 37.A NZ GLU 2.A OE2 no hydrogen 2.821 N/A VAL 38.A N GLU 188.A O no hydrogen 2.806 N/A CYS 39.A SG LYS 37.A O no hydrogen 3.924 N/A ASN 40.A N TYR 186.A OH no hydrogen 3.107 N/A ASN 40.A ND2 ILE 78.A O no hydrogen 3.081 N/A ASN 40.A ND2 HIS 79.A O no hydrogen 3.205 N/A LEU 43.A N ASN 40.A OD1 no hydrogen 3.191 N/A TRP 44.A N ASN 40.A O no hydrogen 2.839 N/A GLU 45.A N LYS 41.A O no hydrogen 2.962 N/A ARG 46.A N LYS 42.A O no hydrogen 3.092 N/A ARG 46.A NH2 PHE 82.A O no hydrogen 2.920 N/A TYR 47.A N LEU 43.A O no hydrogen 2.934 N/A TYR 47.A OH GLU 64.A OE1 no hydrogen 2.605 N/A TYR 47.A OH THR 140.A OG1 no hydrogen 2.772 N/A THR 48.A N TRP 44.A O no hydrogen 2.799 N/A THR 48.A OG1 TRP 44.A O no hydrogen 3.251 N/A THR 48.A OG1 GLU 45.A O no hydrogen 3.282 N/A HIS 49.A N GLU 45.A O no hydrogen 2.850 N/A ARG 50.A N ARG 46.A O no hydrogen 3.257 N/A ARG 50.A NE GLN 184.A OE1 no hydrogen 2.874 N/A ARG 50.A NH1 GLU 53.A OE1 no hydrogen 3.048 N/A ARG 50.A NH2 GLN 184.A OE1 no hydrogen 2.941 N/A ARG 51.A N TYR 47.A O no hydrogen 2.842 N/A ARG 51.A NH1 GLU 64.A OE1 no hydrogen 2.866 N/A LYS 52.A N THR 48.A O no hydrogen 2.996 N/A LYS 52.A NZ GLU 56.A OE1 no hydrogen 2.837 N/A GLU 53.A N HIS 49.A O no hydrogen 3.300 N/A VAL 54.A N ARG 50.A O no hydrogen 2.857 N/A SER 55.A N.A ARG 51.A O no hydrogen 2.931 N/A SER 55.A N.B ARG 51.A O no hydrogen 2.932 N/A SER 55.A OG.A ARG 51.A O no hydrogen 2.718 N/A GLU 56.A N LYS 52.A O no hydrogen 3.083 N/A GLU 57.A N GLU 53.A O no hydrogen 3.283 N/A GLU 57.A N VAL 54.A O no hydrogen 2.969 N/A ASN 58.A N SER 55.A O.A no hydrogen 3.031 N/A ASN 58.A N SER 55.A O.B no hydrogen 3.089 N/A ASN 58.A ND2 HIS 61.A O no hydrogen 2.796 N/A HIS 61.A N SER 55.A O.B no hydrogen 3.321 N/A HIS 61.A N ASN 58.A O no hydrogen 3.239 N/A ASN 63.A ND2 GLY 142.A O no hydrogen 2.869 N/A ARG 65.A N VAL 139.A O no hydrogen 2.916 N/A ARG 65.A NH1 GLU 101.A OE1 no hydrogen 3.563 N/A ARG 65.A NH1 TYR 177.A OH no hydrogen 2.847 N/A ARG 65.A NH2 GLU 101.A OE1 no hydrogen 2.913 N/A LEU 67.A N CYS 137.A O no hydrogen 2.828 N/A PHE 68.A N ALA 100.A O no hydrogen 2.782 N/A HIS 69.A N LEU 135.A O no hydrogen 2.907 N/A HIS 69.A ND1 TYR 98.A O no hydrogen 2.685 N/A PHE 73.A N SER 71.A OG no hydrogen 2.962 N/A ILE 77.A N PHE 73.A O no hydrogen 3.042 N/A ILE 78.A N VAL 74.A O no hydrogen 2.943 N/A HIS 79.A ND1 ASN 75.A O no hydrogen 2.613 N/A LYS 80.A N ALA 76.A O no hydrogen 2.825 N/A GLY 81.A N ILE 77.A O no hydrogen 2.763 N/A GLU 84.A N GLU 84.A OE2 no hydrogen 2.826 N/A ARG 85.A N ASP 83.A OD1 no hydrogen 2.953 N/A ARG 85.A NE ASP 83.A OD1 no hydrogen 2.928 N/A ARG 85.A NE ASP 83.A OD2 no hydrogen 3.326 N/A ARG 85.A NH2 ASP 83.A OD2 no hydrogen 2.995 N/A HIS 86.A N ASP 83.A O no hydrogen 3.064 N/A ALA 87.A N GLU 84.A O no hydrogen 2.969 N/A PHE 93.A N TYR 98.A OH no hydrogen 2.837 N/A GLY 94.A N GLY 91.A O no hydrogen 3.015 N/A ALA 95.A N MET 153.A O no hydrogen 2.886 N/A GLY 96.A N GLY 94.A O no hydrogen 2.864 N/A ILE 97.A N ILE 179.A O no hydrogen 2.800 N/A TYR 98.A OH GLY 94.A O no hydrogen 2.721 N/A PHE 99.A N TYR 177.A O no hydrogen 2.799 N/A ALA 100.A N PHE 68.A O no hydrogen 2.955 N/A ASN 102.A ND2 THR 13.A O no hydrogen 2.980 N/A SER 103.A N THR 13.A OG1 no hydrogen 3.022 N/A SER 103.A OG MET 10.A O no hydrogen 2.630 N/A SER 103.A OG THR 13.A OG1 no hydrogen 3.354 N/A SER 103.A OG TYR 30.A OH no hydrogen 2.786 N/A SER 104.A OG ARG 15.A O no hydrogen 3.524 N/A SER 104.A OG HIS 17.A NE2 no hydrogen 2.710 N/A LYS 105.A N ASN 102.A O no hydrogen 3.006 N/A LYS 105.A NZ LEU 174.A O no hydrogen 2.964 N/A LYS 105.A NZ ALA 175.A O no hydrogen 3.059 N/A LYS 105.A NZ GLU 176.A OE1 no hydrogen 2.764 N/A SER 106.A N ASN 102.A O no hydrogen 3.468 N/A ASN 107.A N SER 103.A O no hydrogen 2.894 N/A ASN 107.A ND2 GLY 24.A O no hydrogen 2.919 N/A GLN 108.A N LYS 105.A O no hydrogen 3.158 N/A TYR 109.A N SER 106.A O no hydrogen 3.005 N/A VAL 110.A N ASN 107.A O no hydrogen 3.368 N/A GLY 112.A N TYR 109.A O no hydrogen 3.160 N/A GLY 115.A N GLY 112.A O no hydrogen 3.034 N/A GLY 116.A N ILE 113.A O no hydrogen 3.140 N/A GLY 118.A N GLY 115.A O no hydrogen 2.975 N/A CYS 119.A N ASP 124.A O no hydrogen 3.242 N/A CYS 119.A SG HIS 122.A ND1 no hydrogen 3.647 N/A CYS 119.A SG ASP 124.A O no hydrogen 3.776 N/A LYS 123.A N CYS 119.A O no hydrogen 2.882 N/A ARG 125.A NE HIS 22.A O no hydrogen 2.870 N/A ARG 125.A NH1 GLY 116.A O no hydrogen 3.013 N/A SER 126.A N ASP 124.A OD1 no hydrogen 2.901 N/A SER 126.A OG TYR 128.A OH no hydrogen 3.335 N/A CYS 127.A N ASP 124.A O no hydrogen 3.325 N/A CYS 127.A SG HIS 122.A ND1 no hydrogen 3.357 N/A TYR 128.A OH ILE 26.A O no hydrogen 2.574 N/A CYS 130.A SG HIS 122.A ND1 no hydrogen 3.561 N/A ARG 132.A N TYR 193.A O no hydrogen 2.683 N/A ARG 132.A NH1 GLY 24.A O no hydrogen 2.850 N/A ARG 132.A NH1 ASN 107.A OD1 no hydrogen 3.131 N/A ARG 132.A NH2 ARG 125.A O no hydrogen 2.774 N/A ARG 132.A NH2 CYS 127.A O no hydrogen 3.187 N/A GLN 133.A NE2 THR 192.A OG1 no hydrogen 3.140 N/A LEU 134.A N ILE 191.A O no hydrogen 3.029 N/A LEU 135.A N HIS 69.A O no hydrogen 2.899 N/A PHE 136.A N TYR 189.A O no hydrogen 2.880 N/A CYS 137.A N LEU 67.A O no hydrogen 2.706 N/A ARG 138.A N TYR 186.A O no hydrogen 2.997 N/A ARG 138.A NE GLU 188.A OE1 no hydrogen 2.855 N/A ARG 138.A NE GLU 188.A OE2 no hydrogen 3.463 N/A ARG 138.A NH1 GLU 64.A OE2 no hydrogen 3.015 N/A ARG 138.A NH2 GLU 188.A OE2 no hydrogen 3.518 N/A VAL 139.A N ARG 65.A O no hydrogen 2.801 N/A THR 140.A N GLN 184.A O no hydrogen 2.812 N/A THR 140.A OG1 TYR 47.A OH no hydrogen 2.772 N/A LEU 141.A N ASN 63.A O no hydrogen 2.970 N/A GLY 142.A N ALA 62.A O no hydrogen 2.884 N/A LYS 143.A N HIS 161.A ND1 no hydrogen 2.945 N/A LYS 143.A NZ ASN 58.A OD1 no hydrogen 3.234 N/A LYS 143.A NZ HIS 59.A NE2 no hydrogen 3.564 N/A SER 144.A OG SER 162.A OG no hydrogen 2.774 N/A SER 144.A OG THR 164.A OG1 no hydrogen 2.662 N/A PHE 145.A N SER 162.A O no hydrogen 2.852 N/A GLN 147.A N THR 164.A O no hydrogen 2.903 N/A GLN 147.A NE2 SER 149.A O no hydrogen 3.006 N/A MET 151.A N MET 92.A O no hydrogen 3.081 N/A HIS 160.A N PRO 157.A O no hydrogen 2.946 N/A HIS 160.A ND1 PRO 158.A O no hydrogen 2.824 N/A HIS 161.A N LYS 143.A O no hydrogen 2.809 N/A HIS 161.A NE2 GLU 57.A OE1 no hydrogen 2.855 N/A SER 162.A OG LEU 141.A O no hydrogen 2.621 N/A SER 162.A OG SER 144.A OG no hydrogen 2.774 N/A VAL 163.A N VAL 178.A O no hydrogen 2.907 N/A THR 164.A N PHE 145.A O no hydrogen 2.804 N/A THR 164.A OG1 SER 144.A OG no hydrogen 2.662 N/A GLY 165.A N GLU 176.A O no hydrogen 2.766 N/A ARG 166.A N GLN 147.A O no hydrogen 2.856 N/A SER 168.A N LEU 172.A O no hydrogen 3.137 N/A GLU 176.A N GLY 165.A O no hydrogen 3.131 N/A TYR 177.A N PHE 99.A O no hydrogen 2.907 N/A VAL 178.A N VAL 163.A O no hydrogen 2.814 N/A ILE 179.A N ILE 97.A O no hydrogen 3.047 N/A TYR 180.A OH PHE 93.A O no hydrogen 2.681 N/A ARG 181.A NE GLU 183.A OE2 no hydrogen 2.723 N/A ARG 181.A NH1 GLU 183.A OE2 no hydrogen 2.968 N/A GLY 182.A N GLU 84.A OE2 no hydrogen 2.929 N/A GLU 183.A N GLU 183.A OE1 no hydrogen 2.797 N/A GLN 184.A N ARG 181.A O no hydrogen 3.065 N/A GLN 184.A NE2 THR 140.A O no hydrogen 3.041 N/A GLN 184.A NE2 HIS 161.A O no hydrogen 2.841 N/A ALA 185.A N GLY 182.A O no hydrogen 3.439 N/A TYR 186.A N ARG 138.A O no hydrogen 2.861 N/A TYR 186.A OH VAL 38.A O no hydrogen 2.637 N/A TYR 189.A N PHE 136.A O no hydrogen 2.931 N/A TYR 189.A OH GLU 2.A OE2 no hydrogen 2.583 N/A LEU 190.A N GLN 36.A O no hydrogen 2.853 N/A ILE 191.A N LEU 134.A O no hydrogen 2.889 N/A THR 192.A N LYS 34.A O no hydrogen 2.825 N/A TYR 193.A N ARG 132.A O no hydrogen 2.848 N/A TYR 193.A OH ASN 107.A OD1 no hydrogen 2.650 N/A GLN 194.A N ASN 31.A O no hydrogen 2.910 N/A GLN 194.A NE2 ILE 129.A O no hydrogen 3.320 N/A MET 196.A N ARG 29.A O no hydrogen 3.094 N/A