Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1wpn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ GLU 34.A OE1 no hydrogen 2.918 N/A ILE 3.A N ASN 32.A O no hydrogen 2.843 N/A ILE 5.A N GLU 34.A O no hydrogen 2.974 N/A PHE 6.A N ILE 71.A O no hydrogen 3.069 N/A HIS 8.A N THR 15.A OG1 no hydrogen 3.007 N/A HIS 8.A ND1 GLN 9.A O.A no hydrogen 2.829 N/A HIS 8.A ND1 GLN 9.A O.B no hydrogen 2.758 N/A HIS 8.A NE2 ASP 12.A OD1 no hydrogen 3.117 N/A GLN 9.A N.A GLN 80.A O no hydrogen 2.877 N/A GLN 9.A N.B GLN 80.A O no hydrogen 2.867 N/A GLN 9.A NE2.A SER 81.A O no hydrogen 2.825 N/A GLN 9.A NE2.B SER 81.A O no hydrogen 3.083 N/A THR 13.A OG1 GLU 44.A OE1 no hydrogen 2.650 N/A THR 13.A OG1 THR 45.A OG1 no hydrogen 2.704 N/A THR 15.A N ASP 12.A OD2 no hydrogen 2.985 N/A THR 15.A OG1 ASP 74.A OD1 no hydrogen 2.807 N/A ILE 16.A N ASP 12.A O no hydrogen 3.025 N/A CYS 17.A N THR 13.A O no hydrogen 2.851 N/A SER 18.A N ASP 14.A O no hydrogen 2.817 N/A SER 18.A OG ASP 14.A OD1 no hydrogen 2.778 N/A ILE 20.A N ILE 16.A O no hydrogen 3.109 N/A ALA 21.A N CYS 17.A O no hydrogen 2.846 N/A TYR 22.A N SER 18.A O no hydrogen 2.889 N/A TYR 22.A OH GLU 92.A OE1 no hydrogen 2.518 N/A ALA 23.A N ALA 19.A O no hydrogen 3.038 N/A ASP 24.A N ILE 20.A O no hydrogen 3.032 N/A LEU 25.A N ALA 21.A O no hydrogen 2.993 N/A LYS 26.A N.A TYR 22.A O no hydrogen 2.889 N/A LYS 26.A N.B TYR 22.A O no hydrogen 2.880 N/A LYS 26.A NZ.A TYR 22.A OH no hydrogen 3.460 N/A LYS 26.A NZ.A GLU 92.A OE2 no hydrogen 2.727 N/A LYS 26.A NZ.B GLU 92.A OE2 no hydrogen 2.815 N/A ASN 27.A N ALA 23.A O no hydrogen 2.847 N/A ASN 27.A ND2 ALA 33.A O no hydrogen 2.887 N/A LYS 28.A N.A ASP 24.A O no hydrogen 2.862 N/A LYS 28.A N.B ASP 24.A O no hydrogen 2.890 N/A LYS 28.A NZ.A ASP 24.A OD1 no hydrogen 3.547 N/A LYS 28.A NZ.A ASP 24.A OD2 no hydrogen 2.830 N/A LYS 28.A NZ.A GLU 134.A OE1 no hydrogen 2.712 N/A LYS 28.A NZ.B ASP 24.A OD2 no hydrogen 2.834 N/A LYS 28.A NZ.B GLU 134.A OE1 no hydrogen 2.917 N/A LEU 29.A N LEU 25.A O no hydrogen 3.058 N/A LEU 29.A N LYS 26.A O.A no hydrogen 2.937 N/A GLY 30.A N ASN 27.A O no hydrogen 3.044 N/A PHE 31.A N LYS 26.A O.A no hydrogen 3.107 N/A PHE 31.A N LYS 26.A O.B no hydrogen 2.934 N/A ALA 33.A N ASN 27.A OD1 no hydrogen 2.868 N/A GLU 34.A N ILE 3.A O no hydrogen 3.026 N/A VAL 36.A N ILE 5.A O no hydrogen 2.893 N/A ARG 37.A N ARG 58.A O no hydrogen 2.859 N/A ARG 37.A NE PRO 57.A O no hydrogen 2.742 N/A ARG 37.A NH1 GLY 39.A O no hydrogen 2.803 N/A THR 45.A N ASN 42.A OD1 no hydrogen 2.878 N/A THR 45.A OG1 THR 13.A OG1 no hydrogen 2.704 N/A THR 45.A OG1 ASN 42.A OD1 no hydrogen 3.192 N/A GLN 46.A N ASN 42.A O no hydrogen 2.835 N/A GLN 46.A NE2 GLN 46.A O no hydrogen 3.687 N/A GLN 46.A NE2 ASP 50.A OD2 no hydrogen 2.914 N/A TYR 47.A N GLY 43.A O no hydrogen 3.028 N/A ALA 48.A N GLU 44.A O no hydrogen 3.347 N/A LEU 49.A N THR 45.A O no hydrogen 2.917 N/A ASP 50.A N GLN 46.A O no hydrogen 2.886 N/A TYR 51.A N TYR 47.A O no hydrogen 2.804 N/A PHE 52.A N ALA 48.A O no hydrogen 3.054 N/A LYS 53.A N ASP 50.A O no hydrogen 3.333 N/A GLN 54.A N LEU 49.A O no hydrogen 2.919 N/A GLN 54.A NE2 PHE 52.A O no hydrogen 3.538 N/A SER 56.A OG.A PRO 57.A O no hydrogen 3.561 N/A ARG 58.A NE GLU 34.A OE2 no hydrogen 2.898 N/A ARG 58.A NH1 GLU 66.A OE1 no hydrogen 2.890 N/A ARG 58.A NH1 GLU 66.A OE2 no hydrogen 3.561 N/A ARG 58.A NH2 GLU 34.A OE1 no hydrogen 2.952 N/A ARG 58.A NH2 GLU 66.A OE2 no hydrogen 2.729 N/A VAL 60.A N ARG 37.A O no hydrogen 2.937 N/A ALA 63.A N ASP 84.A OD1 no hydrogen 2.958 N/A ALA 63.A N ASP 84.A OD2 no hydrogen 3.114 N/A ALA 64.A N ASP 84.A OD2 no hydrogen 2.779 N/A GLU 66.A N ALA 63.A O no hydrogen 2.910 N/A VAL 67.A N ALA 63.A O no hydrogen 3.005 N/A ASN 68.A ND2 GLU 1.A OE1 no hydrogen 3.155 N/A VAL 70.A N GLN 89.A O no hydrogen 2.934 N/A ILE 71.A N LEU 4.A O no hydrogen 2.928 N/A LEU 72.A N GLU 92.A O no hydrogen 2.969 N/A VAL 73.A N PHE 6.A O no hydrogen 2.906 N/A ASP 74.A N ILE 94.A O no hydrogen 2.865 N/A HIS 75.A ND1 VAL 73.A O no hydrogen 2.925 N/A HIS 75.A NE2 SER 81.A OG no hydrogen 2.861 N/A ASN 76.A ND2 ASP 95.A OD1 no hydrogen 3.074 N/A ASN 76.A ND2 ARG 98.A O no hydrogen 2.929 N/A ARG 78.A N ASN 101.A O no hydrogen 2.898 N/A ARG 78.A NE GLU 86.A OE2 no hydrogen 2.889 N/A GLN 79.A N GLN 79.A OE1 no hydrogen 2.826 N/A GLN 79.A NE2 GLU 77.A OE1 no hydrogen 2.848 N/A GLN 80.A N GLU 77.A O no hydrogen 2.936 N/A SER 81.A N ARG 78.A O no hydrogen 2.980 N/A SER 81.A OG HIS 75.A NE2 no hydrogen 2.861 N/A ILE 85.A N ILE 82.A O no hydrogen 3.091 N/A GLU 87.A N ASP 84.A O no hydrogen 2.866 N/A VAL 88.A N ILE 85.A O no hydrogen 3.404 N/A GLN 89.A N ASN 68.A O no hydrogen 2.892 N/A LEU 91.A N VAL 70.A O no hydrogen 2.834 N/A VAL 93.A N TYR 109.A O no hydrogen 2.899 N/A ILE 94.A N LEU 72.A O no hydrogen 2.886 N/A ASP 95.A N ARG 111.A O no hydrogen 2.918 N/A HIS 96.A NE2 ASP 74.A OD2 no hydrogen 3.077 N/A HIS 97.A N ASP 95.A OD1 no hydrogen 3.370 N/A HIS 97.A ND1 ASP 95.A OD2 no hydrogen 2.640 N/A ALA 100.A N ASN 76.A OD1 no hydrogen 3.094 N/A ASN 101.A ND2 GLU 77.A OE1 no hydrogen 2.899 N/A THR 104.A OG1 GLU 106.A O no hydrogen 2.784 N/A TYR 109.A N LEU 91.A O no hydrogen 3.174 N/A ARG 111.A N VAL 93.A O no hydrogen 2.824 N/A ARG 111.A NE GLU 113.A OE1 no hydrogen 3.027 N/A ARG 111.A NH1 TYR 109.A OH no hydrogen 3.104 N/A ARG 111.A NH1 GLU 128.A OE1 no hydrogen 2.826 N/A ARG 111.A NH1 GLU 128.A OE2 no hydrogen 3.542 N/A ARG 111.A NH2 GLU 113.A OE1 no hydrogen 3.080 N/A ARG 111.A NH2 GLU 128.A OE2 no hydrogen 2.916 N/A GLU 113.A N ASP 95.A O no hydrogen 3.170 N/A VAL 115.A N GLU 113.A O no hydrogen 2.834 N/A GLY 116.A N ASP 161.A OD1 no hydrogen 3.110 N/A GLY 116.A N ASP 161.A OD2 no hydrogen 2.733 N/A CYS 117.A SG ASP 14.A OD1 no hydrogen 3.325 N/A CYS 117.A SG ASP 148.A OD2 no hydrogen 3.762 N/A THR 118.A N ASP 14.A OD2 no hydrogen 2.940 N/A THR 118.A OG1 ASP 14.A OD2 no hydrogen 2.958 N/A THR 118.A OG1 ASP 74.A OD2 no hydrogen 3.182 N/A THR 120.A N CYS 117.A O no hydrogen 3.303 N/A THR 120.A OG1 ASP 161.A OD1 no hydrogen 2.662 N/A LEU 122.A N THR 118.A O no hydrogen 3.038 N/A ASN 123.A N ALA 119.A O no hydrogen 2.903 N/A ASN 123.A ND2 GLU 167.A OE2 no hydrogen 3.069 N/A LYS 124.A N.A THR 120.A O no hydrogen 3.472 N/A LYS 124.A N.B THR 120.A O no hydrogen 3.465 N/A LYS 124.A NZ.A GLU 113.A OE2 no hydrogen 2.786 N/A LYS 124.A NZ.A GLN 160.A OE1 no hydrogen 2.934 N/A LYS 124.A NZ.B GLU 113.A OE2 no hydrogen 2.811 N/A LYS 124.A NZ.B GLN 160.A OE1 no hydrogen 2.827 N/A MET 125.A N ILE 121.A O no hydrogen 3.045 N/A TYR 126.A N LEU 122.A O no hydrogen 2.869 N/A TYR 126.A OH ALA 21.A O no hydrogen 2.905 N/A TYR 126.A OH ASP 24.A OD1 no hydrogen 2.672 N/A LYS 127.A N ASN 123.A O no hydrogen 3.331 N/A LYS 127.A NZ GLU 167.A OE1 no hydrogen 3.481 N/A LYS 127.A NZ GLU 167.A OE2 no hydrogen 2.832 N/A GLU 128.A N LYS 124.A O.A no hydrogen 2.872 N/A GLU 128.A N LYS 124.A O.B no hydrogen 2.859 N/A ASN 129.A N MET 125.A O no hydrogen 3.086 N/A ASN 129.A N TYR 126.A O no hydrogen 3.203 N/A ASN 129.A ND2 MET 125.A O no hydrogen 2.824 N/A ASN 130.A N LYS 127.A O no hydrogen 3.102 N/A VAL 131.A N TYR 126.A O no hydrogen 3.039 N/A ALA 138.A N GLU 134.A O no hydrogen 2.880 N/A GLY 139.A N LYS 135.A O no hydrogen 2.993 N/A LEU 140.A N GLU 136.A O.A no hydrogen 3.061 N/A LEU 140.A N GLU 136.A O.B no hydrogen 2.997 N/A MET 141.A N ILE 137.A O no hydrogen 2.889 N/A LEU 142.A N ALA 138.A O no hydrogen 2.836 N/A SER 143.A N GLY 139.A O no hydrogen 2.941 N/A SER 143.A OG GLY 139.A O no hydrogen 2.750 N/A SER 143.A OG TYR 179.A OH no hydrogen 2.700 N/A ALA 144.A N LEU 140.A O no hydrogen 2.993 N/A ILE 145.A N MET 141.A O no hydrogen 3.114 N/A ILE 146.A N.A LEU 142.A O no hydrogen 2.921 N/A ILE 146.A N.B LEU 142.A O no hydrogen 2.924 N/A SER 147.A N SER 143.A O no hydrogen 2.899 N/A SER 147.A OG GLU 44.A OE1 no hydrogen 2.626 N/A ASP 148.A N ALA 144.A O no hydrogen 2.906 N/A SER 149.A N ILE 145.A O no hydrogen 2.913 N/A SER 149.A OG ILE 145.A O no hydrogen 2.741 N/A SER 149.A OG ILE 146.A O.A no hydrogen 3.503 N/A SER 149.A OG ILE 146.A O.B no hydrogen 3.524 N/A LEU 150.A N SER 147.A O no hydrogen 3.303 N/A LEU 151.A N ILE 146.A O.A no hydrogen 2.991 N/A LEU 151.A N ILE 146.A O.B no hydrogen 2.990 N/A PHE 152.A N SER 149.A OG no hydrogen 2.908 N/A LYS 153.A N SER 149.A O no hydrogen 2.821 N/A LYS 153.A N LEU 150.A O no hydrogen 3.247 N/A SER 154.A N.A SER 149.A O no hydrogen 2.863 N/A SER 154.A N.B SER 149.A O no hydrogen 2.859 N/A SER 154.A OG.A THR 156.A OG1 no hydrogen 2.867 N/A SER 154.A OG.B THR 156.A OG1 no hydrogen 2.860 N/A THR 156.A N SER 154.A OG.A no hydrogen 3.259 N/A THR 156.A OG1 SER 154.A OG.A no hydrogen 2.867 N/A THR 156.A OG1 SER 154.A OG.B no hydrogen 2.860 N/A CYS 157.A N SER 154.A O.A no hydrogen 3.059 N/A CYS 157.A N SER 154.A O.B no hydrogen 3.067 N/A CYS 157.A SG THR 158.A O no hydrogen 3.886 N/A THR 158.A N ASP 161.A OD2 no hydrogen 2.911 N/A THR 158.A OG1 ASP 161.A OD2 no hydrogen 2.795 N/A ASP 161.A N THR 158.A OG1 no hydrogen 3.357 N/A VAL 162.A N THR 158.A O no hydrogen 3.111 N/A ALA 163.A N ASP 159.A O no hydrogen 3.015 N/A ALA 164.A N GLN 160.A O no hydrogen 3.028 N/A ALA 165.A N ASP 161.A O no hydrogen 2.907 N/A LYS 166.A N VAL 162.A O no hydrogen 3.108 N/A GLU 167.A N ALA 163.A O no hydrogen 3.154 N/A LEU 168.A N ALA 164.A O no hydrogen 2.840 N/A ALA 169.A N ALA 165.A O no hydrogen 2.893 N/A GLU 170.A N LYS 166.A O no hydrogen 3.180 N/A ILE 171.A N GLU 167.A O no hydrogen 3.171 N/A ALA 172.A N LEU 168.A O no hydrogen 2.844 N/A GLY 173.A N GLU 170.A O no hydrogen 3.282 N/A VAL 174.A N ALA 169.A O no hydrogen 2.977 N/A GLU 178.A N ASP 175.A OD2 no hydrogen 2.990 N/A TYR 179.A N ASP 175.A O no hydrogen 2.854 N/A TYR 179.A OH SER 143.A OG no hydrogen 2.700 N/A GLY 180.A N ALA 176.A O no hydrogen 2.804 N/A LEU 181.A N GLU 177.A O.A no hydrogen 2.957 N/A LEU 181.A N GLU 177.A O.B no hydrogen 2.957 N/A ASN 182.A N GLU 178.A O no hydrogen 3.379 N/A MET 183.A N TYR 179.A O no hydrogen 2.925 N/A LEU 184.A N GLY 180.A O no hydrogen 2.866 N/A LYS 185.A N LEU 181.A O no hydrogen 3.010 N/A ALA 186.A N ASN 182.A O no hydrogen 3.127 N/A ALA 186.A N MET 183.A O no hydrogen 3.179 N/A GLY 187.A N LEU 184.A O no hydrogen 3.056 N/A