Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2xsh_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 6.A N PHE 4.A O no hydrogen 3.052 N/A GLN 16.A N GLY 12.A O no hydrogen 2.940 N/A GLN 16.A NE2 GLU 20.A OE1 no hydrogen 2.820 N/A GLN 16.A NE2 VAL 109.A O no hydrogen 2.907 N/A ASN 17.A N LEU 13.A O no hydrogen 2.866 N/A GLU 18.A N GLU 14.A O no hydrogen 2.881 N/A ILE 19.A N LEU 15.A O no hydrogen 3.173 N/A GLU 20.A N GLN 16.A O no hydrogen 3.092 N/A GLN 21.A N ASN 17.A O no hydrogen 2.860 N/A PHE 22.A N GLU 18.A O no hydrogen 2.929 N/A TYR 23.A N ILE 19.A O no hydrogen 3.138 N/A TYR 23.A OH ASP 146.A OD1 no hydrogen 2.485 N/A TYR 24.A N GLU 20.A O no hydrogen 3.030 N/A ARG 25.A N GLN 21.A O no hydrogen 2.969 N/A ARG 25.A NH1 LEU 155.A O no hydrogen 3.183 N/A GLU 26.A N PHE 22.A O no hydrogen 2.834 N/A ALA 27.A N TYR 23.A O no hydrogen 2.814 N/A GLN 28.A N TYR 24.A O no hydrogen 3.013 N/A LEU 29.A N ARG 25.A O no hydrogen 3.007 N/A LEU 30.A N GLU 26.A O no hydrogen 3.102 N/A ASP 31.A N ALA 27.A O no hydrogen 2.890 N/A HIS 32.A N GLN 28.A O no hydrogen 3.007 N/A HIS 32.A N LEU 29.A O no hydrogen 3.289 N/A ARG 33.A N LEU 30.A O no hydrogen 3.034 N/A ARG 33.A NE SER 100.A O no hydrogen 3.289 N/A ARG 33.A NH2 SER 100.A O no hydrogen 2.967 N/A ALA 34.A N LEU 29.A O no hydrogen 2.775 N/A TRP 38.A N ALA 34.A O no hydrogen 2.877 N/A TRP 38.A NE1 GLU 26.A OE1 no hydrogen 2.746 N/A PHE 39.A N TYR 35.A O no hydrogen 2.871 N/A ALA 40.A N GLU 36.A O no hydrogen 3.175 N/A LEU 41.A N TRP 38.A O no hydrogen 2.973 N/A LEU 42.A N PHE 39.A O no hydrogen 3.033 N/A ASP 43.A N ILE 159.A O no hydrogen 3.167 N/A ILE 46.A N ASP 43.A O no hydrogen 2.803 N/A HIS 47.A NE2 ASP 75.A OD2 no hydrogen 2.597 N/A TYR 48.A N GLU 76.A O no hydrogen 3.086 N/A PHE 49.A N ARG 162.A O no hydrogen 2.794 N/A MET 50.A N PHE 74.A O no hydrogen 2.996 N/A LEU 52.A N SER 66.A OG no hydrogen 2.754 N/A ARG 53.A NE GLU 64.A OE2 no hydrogen 2.799 N/A ARG 53.A NH1 LEU 166.A O no hydrogen 3.139 N/A ARG 53.A NH1 ASP 167.A OD1 no hydrogen 2.655 N/A ARG 53.A NH2 GLU 64.A OE2 no hydrogen 3.243 N/A THR 54.A N GLU 64.A O no hydrogen 2.791 N/A THR 54.A OG1 LEU 63.A O no hydrogen 3.461 N/A THR 54.A OG1 GLU 64.A O no hydrogen 3.061 N/A ARG 56.A NE THR 54.A OG1 no hydrogen 2.740 N/A GLU 60.A N MET 57.A O no hydrogen 2.707 N/A GLY 61.A N ILE 58.A O no hydrogen 3.072 N/A GLU 62.A N GLU 62.A OE1 no hydrogen 2.861 N/A LEU 63.A N GLU 60.A O no hydrogen 3.069 N/A GLU 64.A N GLY 61.A O no hydrogen 3.426 N/A SER 66.A N LEU 52.A O no hydrogen 3.082 N/A SER 66.A OG LEU 71.A O no hydrogen 3.322 N/A GLY 67.A N ASP 70.A OD2 no hydrogen 2.738 N/A ASP 70.A N GLY 67.A O no hydrogen 3.216 N/A HIS 73.A N MET 50.A O no hydrogen 2.881 N/A PHE 74.A N MET 50.A O no hydrogen 3.450 N/A ASP 75.A N GLU 76.A OE2 no hydrogen 2.963 N/A GLU 76.A N TYR 48.A O no hydrogen 2.835 N/A THR 77.A N THR 80.A OG1 no hydrogen 2.946 N/A THR 80.A OG1 GLU 76.A OE1 no hydrogen 2.844 N/A THR 80.A OG1 THR 77.A O no hydrogen 3.170 N/A MET 81.A N THR 77.A O no hydrogen 2.954 N/A TYR 82.A N HIS 78.A O no hydrogen 3.035 N/A GLY 83.A N GLU 79.A O no hydrogen 3.389 N/A ARG 84.A N THR 80.A O no hydrogen 3.166 N/A ARG 84.A NE GLU 76.A OE1 no hydrogen 2.709 N/A ARG 84.A NH2 GLU 76.A OE2 no hydrogen 2.787 N/A ILE 85.A N MET 81.A O no hydrogen 2.857 N/A ARG 86.A N TYR 82.A O no hydrogen 3.039 N/A LYS 87.A N GLY 83.A O no hydrogen 3.124 N/A VAL 88.A N ARG 84.A O no hydrogen 3.061 N/A THR 89.A N ILE 85.A O no hydrogen 3.164 N/A THR 89.A OG1 ILE 85.A O no hydrogen 2.796 N/A THR 89.A OG1 ARG 86.A O no hydrogen 3.421 N/A SER 90.A N LYS 87.A O no hydrogen 3.254 N/A VAL 92.A N SER 90.A OG no hydrogen 3.220 N/A GLY 93.A N SER 90.A O no hydrogen 3.243 N/A GLU 96.A N GLY 93.A O no hydrogen 3.232 N/A ASN 97.A N TRP 94.A O no hydrogen 3.155 N/A ASN 97.A ND2 ASP 91.A O no hydrogen 2.641 N/A SER 100.A N GLU 96.A OE1 no hydrogen 2.909 N/A SER 100.A OG GLU 96.A OE1 no hydrogen 3.477 N/A SER 100.A OG GLU 96.A OE2 no hydrogen 2.794 N/A ARG 101.A N ASN 131.A O no hydrogen 2.713 N/A ARG 101.A NE ASN 131.A OD1 no hydrogen 2.784 N/A ARG 101.A NH2 ASN 131.A OD1 no hydrogen 2.663 N/A ARG 101.A NH2 LEU 133.A O no hydrogen 2.846 N/A THR 102.A OG1 ASP 31.A OD1 no hydrogen 2.718 N/A ARG 103.A N TYR 129.A O no hydrogen 2.865 N/A HIS 104.A N ASP 31.A OD2 no hydrogen 2.928 N/A HIS 104.A ND1 ASP 31.A OD1 no hydrogen 2.543 N/A HIS 104.A NE2 PHE 179.A O no hydrogen 2.606 N/A LEU 105.A N ILE 127.A O no hydrogen 2.975 N/A SER 107.A N ALA 125.A O no hydrogen 3.156 N/A SER 107.A OG ASN 108.A OD1 no hydrogen 3.435 N/A ILE 110.A N ASN 123.A O no hydrogen 2.811 N/A LYS 112.A N GLU 121.A O no hydrogen 2.811 N/A LYS 112.A NZ GLU 5.A O no hydrogen 2.858 N/A THR 114.A OG1 THR 116.A O no hydrogen 2.935 N/A THR 114.A OG1 THR 119.A O no hydrogen 2.718 N/A THR 119.A N THR 116.A O no hydrogen 3.418 N/A PHE 120.A N LEU 148.A O no hydrogen 2.950 N/A GLU 121.A N LYS 112.A O no hydrogen 2.669 N/A VAL 122.A N ASP 146.A O no hydrogen 2.890 N/A ASN 123.A N ILE 110.A O no hydrogen 2.836 N/A ASN 123.A ND2 GLU 143.A OE1 no hydrogen 2.744 N/A ASN 123.A ND2 ARG 144.A O no hydrogen 3.172 N/A SER 124.A N ARG 144.A O no hydrogen 3.136 N/A ALA 125.A N SER 107.A O no hydrogen 2.826 N/A PHE 126.A N GLY 142.A O no hydrogen 2.997 N/A ILE 127.A N LEU 105.A O no hydrogen 3.200 N/A LEU 128.A N PHE 140.A O no hydrogen 2.819 N/A TYR 129.A N ARG 103.A O no hydrogen 2.913 N/A ARG 130.A N ASP 138.A O no hydrogen 2.828 N/A ARG 130.A NE ASP 138.A OD2 no hydrogen 2.599 N/A ARG 130.A NH1 ASN 175.A OD1 no hydrogen 3.480 N/A ARG 130.A NH1 SER 177.A OG no hydrogen 2.873 N/A ARG 130.A NH2 ASP 138.A OD2 no hydrogen 3.063 N/A ARG 130.A NH2 SER 173.A OG no hydrogen 3.003 N/A ARG 130.A NH2 ASN 175.A OD1 no hydrogen 2.801 N/A ASN 131.A N ARG 101.A O no hydrogen 2.854 N/A ARG 132.A N GLN 136.A O no hydrogen 2.792 N/A ARG 132.A NH1 PRO 98.A O no hydrogen 2.792 N/A ARG 132.A NH1 SER 100.A OG no hydrogen 3.121 N/A ARG 132.A NH2 PRO 98.A O no hydrogen 2.934 N/A GLN 136.A N ARG 132.A O no hydrogen 3.111 N/A GLN 136.A NE2 ASP 138.A OD2 no hydrogen 2.795 N/A GLN 136.A NE2 ASN 174.A OD1 no hydrogen 2.804 N/A ASP 138.A N ARG 130.A O no hydrogen 2.780 N/A PHE 140.A N LEU 128.A O no hydrogen 2.832 N/A GLY 142.A N PHE 126.A O no hydrogen 3.260 N/A GLU 143.A N LEU 165.A O no hydrogen 2.937 N/A ARG 144.A N SER 124.A O no hydrogen 2.890 N/A ARG 144.A NH1 GLU 26.A OE2 no hydrogen 3.283 N/A ARG 144.A NH1 PHE 180.A O no hydrogen 2.547 N/A ARG 145.A N THR 163.A O no hydrogen 2.802 N/A ARG 145.A NE GLU 143.A OE1 no hydrogen 2.850 N/A ARG 145.A NH1 LYS 2.A O no hydrogen 3.341 N/A ARG 145.A NH2 LYS 2.A O no hydrogen 2.783 N/A ARG 145.A NH2 GLU 143.A OE1 no hydrogen 3.268 N/A ASP 146.A N VAL 122.A O no hydrogen 2.843 N/A VAL 147.A N LYS 161.A O no hydrogen 2.855 N/A LEU 148.A N PHE 120.A O no hydrogen 2.875 N/A ARG 149.A N SER 158.A O no hydrogen 2.881 N/A ARG 149.A NH1 ASP 43.A OD2 no hydrogen 3.077 N/A ARG 149.A NH1 ASP 45.A OD1 no hydrogen 2.896 N/A ARG 149.A NH1 ASP 45.A OD2 no hydrogen 3.420 N/A ARG 149.A NH2 ASP 45.A OD2 no hydrogen 2.719 N/A ARG 150.A N ASP 118.A O no hydrogen 2.977 N/A ARG 150.A NH1 ASP 118.A OD1 no hydrogen 3.389 N/A ARG 150.A NH2 GLU 18.A OE1 no hydrogen 2.723 N/A ARG 150.A NH2 GLU 18.A OE2 no hydrogen 3.513 N/A ALA 151.A N GLY 156.A O no hydrogen 3.025 N/A ASN 153.A ND2 PHE 157.A O no hydrogen 3.294 N/A LEU 155.A N ASN 153.A OD1 no hydrogen 2.780 N/A GLY 156.A N ASN 153.A OD1 no hydrogen 3.054 N/A SER 158.A N ARG 149.A O no hydrogen 2.705 N/A SER 158.A OG ASP 43.A OD1 no hydrogen 3.085 N/A SER 158.A OG ASP 43.A OD2 no hydrogen 2.681 N/A ILE 159.A N LEU 41.A O no hydrogen 2.785 N/A ALA 160.A N VAL 147.A O no hydrogen 2.733 N/A LYS 161.A N VAL 147.A O no hydrogen 3.243 N/A ARG 162.A N HIS 47.A O no hydrogen 2.858 N/A ARG 162.A NE ASP 146.A OD1 no hydrogen 3.244 N/A ARG 162.A NE ASP 146.A OD2 no hydrogen 2.938 N/A ARG 162.A NH1 GLU 26.A OE1 no hydrogen 2.691 N/A ARG 162.A NH2 GLU 26.A OE1 no hydrogen 3.158 N/A ARG 162.A NH2 GLU 26.A OE2 no hydrogen 3.081 N/A ARG 162.A NH2 ASP 146.A OD1 no hydrogen 2.912 N/A THR 163.A N ARG 145.A O no hydrogen 2.889 N/A ILE 164.A N PHE 49.A O no hydrogen 2.731 N/A LEU 165.A N GLU 143.A O no hydrogen 2.786 N/A ASP 167.A N ALA 141.A O no hydrogen 2.869 N/A ALA 168.A N LEU 166.A O no hydrogen 2.931 N/A SER 173.A OG ASN 175.A O no hydrogen 2.640 N/A SER 177.A OG GLU 96.A OE2 no hydrogen 2.691 N/A SER 177.A OG ASN 175.A OD1 no hydrogen 3.227 N/A PHE 180.A N TYR 48.A OH no hydrogen 2.896 N/A