Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ws6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N SER 1.A OG no hydrogen 3.188 N/A THR 3.A OG1 SER 1.A OG no hydrogen 3.070 N/A ALA 4.A N SER 1.A O no hydrogen 3.094 N/A ALA 4.A N SER 1.A OG no hydrogen 3.219 N/A ARG 5.A N SER 1.A O no hydrogen 2.914 N/A ARG 5.A NH1 GLU 9.A OE1.B no hydrogen 3.315 N/A ARG 5.A NH1 GLU 9.A OE2.A no hydrogen 2.701 N/A GLU 9.A N.A PRO 6.A O no hydrogen 2.897 N/A GLU 9.A N.B PRO 6.A O no hydrogen 2.888 N/A LEU 10.A N PRO 6.A O no hydrogen 3.113 N/A LEU 10.A N LEU 7.A O no hydrogen 3.014 N/A VAL 11.A N LEU 7.A O no hydrogen 2.989 N/A GLU 12.A N PHE 54.A O no hydrogen 2.946 N/A ARG 13.A NH1 ASP 59.A OD2 no hydrogen 2.937 N/A GLY 14.A N GLU 12.A OE2 no hydrogen 2.911 N/A TRP 15.A N GLU 12.A OE1 no hydrogen 3.004 N/A ALA 16.A N GLU 12.A O no hydrogen 2.812 N/A ALA 17.A N ARG 13.A O no hydrogen 3.241 N/A ALA 18.A N GLY 14.A O no hydrogen 2.924 N/A LEU 19.A N TRP 15.A O no hydrogen 2.885 N/A GLU 20.A N ALA 17.A O no hydrogen 3.176 N/A VAL 22.A N LEU 19.A O no hydrogen 2.861 N/A ALA 23.A N GLU 20.A O no hydrogen 3.106 N/A GLN 25.A NE2 GLY 145.A O no hydrogen 2.879 N/A VAL 26.A N VAL 22.A O no hydrogen 2.853 N/A ALA 27.A N ALA 23.A O no hydrogen 3.156 N/A HIS 28.A N.A ASP 24.A O no hydrogen 2.853 N/A HIS 28.A N.B ASP 24.A O no hydrogen 2.879 N/A HIS 28.A ND1.B GLN 31.A OE1 no hydrogen 3.231 N/A MET 29.A N GLN 25.A O no hydrogen 2.900 N/A GLY 30.A N VAL 26.A O no hydrogen 3.057 N/A GLN 31.A N ALA 27.A O no hydrogen 3.046 N/A PHE 32.A N HIS 28.A O.A no hydrogen 2.872 N/A PHE 32.A N HIS 28.A O.B no hydrogen 2.853 N/A LEU 33.A N MET 29.A O no hydrogen 2.977 N/A ARG 34.A N GLY 30.A O no hydrogen 3.016 N/A ALA 35.A N GLN 31.A O no hydrogen 2.940 N/A GLU 36.A N PHE 32.A O no hydrogen 2.890 N/A ILE 37.A N LEU 33.A O no hydrogen 3.102 N/A ALA 38.A N ARG 34.A O no hydrogen 2.910 N/A ALA 39.A N ALA 35.A O no hydrogen 2.928 N/A GLY 40.A N ILE 37.A O no hydrogen 3.049 N/A ARG 41.A N GLU 36.A O no hydrogen 2.905 N/A ARG 41.A NE GLU 36.A OE1 no hydrogen 2.787 N/A ARG 41.A NH2 GLU 36.A OE2 no hydrogen 2.942 N/A LEU 44.A N VAL 133.A O no hydrogen 2.816 N/A ASN 49.A N ALA 46.A O no hydrogen 2.820 N/A VAL 50.A N GLY 47.A O no hydrogen 3.259 N/A ARG 52.A N ASN 49.A O no hydrogen 3.029 N/A ARG 52.A NH1 VAL 78.A O no hydrogen 3.099 N/A PHE 54.A N LEU 51.A O no hydrogen 2.930 N/A THR 55.A N ARG 52.A O no hydrogen 2.967 N/A THR 55.A OG1 ARG 52.A O no hydrogen 2.713 N/A PHE 58.A N GLU 12.A OE1 no hydrogen 3.012 N/A ASN 60.A N PRO 57.A O no hydrogen 3.109 N/A VAL 61.A N PHE 58.A O no hydrogen 3.307 N/A ARG 62.A N GLY 123.A O no hydrogen 2.801 N/A ARG 62.A NE GLU 221.A O no hydrogen 2.996 N/A ARG 62.A NH2 GLU 221.A O no hydrogen 3.420 N/A ARG 62.A NH2 PRO 222.A O no hydrogen 3.013 N/A VAL 63.A N GLY 123.A O no hydrogen 3.198 N/A LEU 64.A N.A VAL 165.A O no hydrogen 2.837 N/A LEU 64.A N.B VAL 165.A O no hydrogen 2.924 N/A ILE 65.A N LEU 125.A O no hydrogen 2.858 N/A VAL 66.A N ILE 167.A O no hydrogen 2.909 N/A GLY 67.A N LEU 127.A O no hydrogen 2.971 N/A GLN 68.A NE2 ASP 69.A OD1 no hydrogen 2.951 N/A TYR 71.A OH PHE 82.A O no hydrogen 2.682 N/A HIS 76.A N THR 73.A O no hydrogen 3.041 N/A SER 81.A N LEU 126.A O no hydrogen 2.906 N/A SER 81.A OG LEU 127.A O no hydrogen 2.971 N/A SER 83.A N LEU 80.A O no hydrogen 3.151 N/A VAL 84.A N GLY 114.A O no hydrogen 3.001 N/A VAL 88.A N ALA 85.A O no hydrogen 3.020 N/A ARG 89.A NH1.A ASP 87.A O no hydrogen 2.888 N/A ALA 96.A N PRO 92.A O no hydrogen 2.995 N/A ASN 97.A N ARG 93.A O no hydrogen 3.004 N/A ASN 97.A ND2 PRO 193.A O no hydrogen 2.811 N/A ILE 98.A N SER 94.A O.A no hydrogen 2.875 N/A ILE 98.A N SER 94.A O.B no hydrogen 2.885 N/A PHE 99.A N LEU 95.A O no hydrogen 2.860 N/A ASP 100.A N ALA 96.A O no hydrogen 2.952 N/A GLU 101.A N ASN 97.A O no hydrogen 3.055 N/A TYR 102.A N ILE 98.A O no hydrogen 2.820 N/A THR 103.A N.A PHE 99.A O no hydrogen 2.971 N/A THR 103.A N.B PHE 99.A O no hydrogen 2.965 N/A THR 103.A OG1.A ASP 100.A O no hydrogen 2.844 N/A THR 103.A OG1.B PHE 99.A O no hydrogen 3.456 N/A THR 103.A OG1.B TYR 108.A O no hydrogen 2.982 N/A ALA 104.A N ASP 100.A O no hydrogen 3.031 N/A ASP 105.A N GLU 101.A O no hydrogen 2.789 N/A LEU 106.A N TYR 102.A O no hydrogen 2.956 N/A GLY 107.A N THR 103.A O.A no hydrogen 2.807 N/A GLY 107.A N THR 103.A O.B no hydrogen 2.906 N/A SER 112.A N PRO 228.A OXT no hydrogen 2.884 N/A SER 112.A OG PRO 228.A O no hydrogen 2.591 N/A SER 112.A OG PRO 228.A OXT no hydrogen 3.406 N/A ASP 115.A N ASN 113.A OD1 no hydrogen 2.939 N/A LEU 116.A N SER 83.A OG no hydrogen 2.849 N/A THR 117.A N.A ASP 115.A OD1 no hydrogen 2.972 N/A THR 117.A N.B ASP 115.A OD1 no hydrogen 2.954 N/A THR 117.A OG1.A ASP 115.A OD1 no hydrogen 2.870 N/A THR 117.A OG1.A ASP 115.A OD2 no hydrogen 3.365 N/A THR 117.A OG1.B ASP 115.A OD1 no hydrogen 2.556 N/A TRP 119.A NE1 TRP 225.A O no hydrogen 2.842 N/A ALA 120.A N LEU 116.A O no hydrogen 3.377 N/A GLN 121.A N THR 117.A O.A no hydrogen 2.875 N/A GLN 121.A N THR 117.A O.B no hydrogen 2.956 N/A ARG 122.A N TRP 119.A O no hydrogen 3.039 N/A ARG 122.A NH1 ASP 224.A O no hydrogen 2.811 N/A ARG 122.A NH1 ARG 226.A O.A no hydrogen 2.856 N/A ARG 122.A NH1 ARG 226.A O.B no hydrogen 2.876 N/A GLY 123.A N ALA 120.A O no hydrogen 3.492 N/A VAL 124.A N TRP 119.A O no hydrogen 3.017 N/A LEU 125.A N VAL 63.A O no hydrogen 2.795 N/A LEU 127.A N ILE 65.A O no hydrogen 2.886 N/A ARG 129.A N GLY 67.A O no hydrogen 2.870 N/A ARG 129.A NE THR 175.A OG1 no hydrogen 2.916 N/A ARG 129.A NH1 GLU 147.A O no hydrogen 2.860 N/A ARG 129.A NH1 THR 150.A OG1 no hydrogen 2.910 N/A ARG 129.A NH2 THR 175.A OG1 no hydrogen 3.139 N/A VAL 130.A N GLN 68.A O no hydrogen 3.084 N/A THR 132.A OG1 HIS 141.A ND1 no hydrogen 2.719 N/A VAL 133.A N LEU 44.A O no hydrogen 2.984 N/A ARG 134.A N SER 140.A OG no hydrogen 2.902 N/A SER 136.A N PRO 72.A O no hydrogen 2.796 N/A ASN 137.A N ARG 134.A O no hydrogen 3.066 N/A ALA 139.A N ASP 69.A OD2 no hydrogen 2.725 N/A SER 140.A N ASN 137.A O no hydrogen 3.073 N/A SER 140.A OG ASN 137.A O no hydrogen 2.662 N/A HIS 141.A ND1 THR 132.A OG1 no hydrogen 2.719 N/A ARG 142.A N ALA 139.A O no hydrogen 3.012 N/A ARG 142.A NE ASP 172.A OD2 no hydrogen 3.001 N/A ARG 142.A NH2 ASP 172.A OD2 no hydrogen 2.927 N/A GLY 143.A N GLU 147.A OE2 no hydrogen 2.846 N/A LYS 144.A N HIS 141.A O no hydrogen 3.358 N/A TRP 146.A NE1 THR 132.A OG1 no hydrogen 2.791 N/A GLU 147.A N GLU 147.A OE1 no hydrogen 2.783 N/A THR 150.A N TRP 146.A O no hydrogen 3.066 N/A THR 150.A OG1 ARG 129.A O no hydrogen 2.735 N/A THR 150.A OG1 GLU 147.A O no hydrogen 3.476 N/A GLU 151.A N GLU 147.A O no hydrogen 2.857 N/A CYS 152.A N ALA 148.A O no hydrogen 3.056 N/A CYS 152.A SG ALA 18.A O no hydrogen 3.426 N/A ALA 153.A N VAL 149.A O no hydrogen 3.014 N/A ILE 154.A N THR 150.A O no hydrogen 3.044 N/A ARG 155.A N.A GLU 151.A O no hydrogen 2.915 N/A ARG 155.A N.B GLU 151.A O no hydrogen 2.861 N/A ARG 155.A NE.A GLU 151.A OE2 no hydrogen 3.304 N/A ARG 155.A NH1.A GLU 151.A OE2 no hydrogen 2.760 N/A ARG 155.A NH1.B GLU 151.A OE2 no hydrogen 2.819 N/A ALA 156.A N CYS 152.A O no hydrogen 2.939 N/A LEU 157.A N ALA 153.A O no hydrogen 2.984 N/A ALA 158.A N ILE 154.A O no hydrogen 2.900 N/A ALA 159.A N ARG 155.A O.A no hydrogen 2.940 N/A ALA 159.A N ARG 155.A O.B no hydrogen 3.081 N/A ALA 159.A N ALA 156.A O no hydrogen 3.179 N/A ARG 160.A N LEU 157.A O no hydrogen 3.255 N/A ARG 160.A NE LEU 157.A O no hydrogen 3.040 N/A ARG 160.A NH1 VAL 61.A O no hydrogen 2.979 N/A ARG 160.A NH2 PHE 58.A O no hydrogen 2.912 N/A ARG 160.A NH2 VAL 61.A O no hydrogen 2.866 N/A LEU 164.A N ASN 184.A O no hydrogen 3.162 N/A VAL 165.A N ARG 62.A O no hydrogen 3.042 N/A ALA 166.A N VAL 186.A O.A no hydrogen 2.763 N/A ALA 166.A N VAL 186.A O.B no hydrogen 2.882 N/A ILE 167.A N LEU 64.A O.A no hydrogen 2.692 N/A ILE 167.A N LEU 64.A O.B no hydrogen 2.796 N/A LEU 168.A N ILE 188.A O no hydrogen 2.892 N/A TRP 169.A N VAL 66.A O no hydrogen 2.939 N/A GLY 170.A N SER 190.A O.A no hydrogen 3.078 N/A GLY 170.A N SER 190.A O.B no hydrogen 3.016 N/A SER 174.A N.A GLY 170.A O no hydrogen 2.993 N/A SER 174.A N.B GLY 170.A O no hydrogen 3.024 N/A SER 174.A N.B ARG 171.A O no hydrogen 3.147 N/A SER 174.A OG.A ARG 171.A O no hydrogen 2.600 N/A SER 174.A OG.B GLY 170.A O no hydrogen 3.546 N/A SER 174.A OG.B GLU 189.A OE1 no hydrogen 2.703 N/A THR 175.A N ASP 172.A O no hydrogen 3.201 N/A THR 175.A OG1 ASP 172.A O no hydrogen 2.765 N/A LEU 176.A N ALA 173.A O no hydrogen 3.027 N/A LYS 177.A N SER 174.A O.A no hydrogen 2.996 N/A LYS 177.A N SER 174.A O.B no hydrogen 3.049 N/A LYS 177.A NZ GLU 189.A OE2 no hydrogen 3.108 N/A MET 179.A N LEU 176.A O no hydrogen 3.144 N/A LEU 180.A N LYS 177.A O no hydrogen 2.927 N/A ASN 184.A N ASN 184.A OD1 no hydrogen 2.672 N/A ASN 184.A ND2 ALA 158.A O no hydrogen 2.735 N/A ASN 184.A ND2 ALA 162.A O no hydrogen 3.304 N/A CYS 185.A N.A ALA 182.A O no hydrogen 2.935 N/A CYS 185.A N.B ALA 182.A O no hydrogen 2.965 N/A CYS 185.A SG.A ALA 158.A O no hydrogen 3.817 N/A CYS 185.A SG.B LEU 164.A O no hydrogen 3.723 N/A CYS 185.A SG.B LEU 180.A O no hydrogen 3.947 N/A VAL 186.A N.A LEU 164.A O no hydrogen 3.029 N/A VAL 186.A N.B LEU 164.A O no hydrogen 3.180 N/A ILE 188.A N ALA 166.A O no hydrogen 2.728 N/A SER 190.A N.A LEU 168.A O no hydrogen 3.153 N/A SER 190.A N.B LEU 168.A O no hydrogen 3.114 N/A SER 190.A OG.A PRO 191.A O no hydrogen 2.827 N/A SER 194.A N HIS 192.A ND1 no hydrogen 2.915 N/A LEU 196.A N SER 194.A OG no hydrogen 3.146 N/A SER 197.A N SER 194.A O no hydrogen 3.003 N/A SER 197.A OG HIS 192.A O no hydrogen 2.771 N/A ALA 198.A N SER 194.A O no hydrogen 2.820 N/A ARG 200.A N SER 197.A O no hydrogen 2.930 N/A GLY 201.A N ALA 198.A O no hydrogen 3.344 N/A PHE 202.A N ALA 198.A O no hydrogen 2.873 N/A PHE 203.A N ALA 198.A O no hydrogen 3.237 N/A GLY 204.A N GLU 101.A OE1 no hydrogen 2.784 N/A SER 205.A N PHE 202.A O no hydrogen 3.011 N/A SER 205.A OG PHE 202.A O no hydrogen 2.649 N/A ARG 206.A N GLU 101.A OE2 no hydrogen 2.771 N/A ARG 206.A NE ASP 105.A OD1 no hydrogen 2.830 N/A ARG 206.A NH1 ASP 105.A O no hydrogen 3.075 N/A ARG 206.A NH1 ASP 105.A OD1 no hydrogen 3.358 N/A PHE 208.A N ASP 105.A OD2 no hydrogen 3.037 N/A SER 209.A N ASP 105.A OD2 no hydrogen 2.921 N/A SER 209.A OG ASP 105.A OD1 no hydrogen 2.580 N/A SER 209.A OG ASP 105.A OD2 no hydrogen 3.514 N/A ARG 210.A N ARG 206.A O no hydrogen 3.154 N/A ARG 210.A NH2 SER 205.A O no hydrogen 2.837 N/A ALA 211.A N PRO 207.A O no hydrogen 2.916 N/A ASN 212.A N PHE 208.A O no hydrogen 3.142 N/A ASN 212.A ND2 ILE 223.A O no hydrogen 2.938 N/A GLU 213.A N SER 209.A O no hydrogen 2.948 N/A LEU 214.A N ARG 210.A O no hydrogen 2.957 N/A LEU 215.A N ALA 211.A O no hydrogen 2.892 N/A VAL 216.A N ASN 212.A O no hydrogen 2.984 N/A GLY 217.A N GLU 213.A O no hydrogen 2.990 N/A MET 218.A N LEU 214.A O no hydrogen 3.169 N/A MET 218.A N LEU 215.A O no hydrogen 2.983 N/A GLY 219.A N VAL 216.A O no hydrogen 2.987 N/A ALA 220.A N LEU 215.A O no hydrogen 2.854 N/A ILE 223.A N ASN 212.A OD1 no hydrogen 2.820 N/A TRP 225.A NE1 PHE 208.A O no hydrogen 3.140 N/A ARG 226.A N.A ASP 224.A OD1 no hydrogen 3.010 N/A ARG 226.A N.B ASP 224.A OD1 no hydrogen 3.006 N/A ARG 226.A NE.B LEU 227.A O no hydrogen 3.190 N/A ARG 226.A NH2.A LEU 227.A O no hydrogen 2.843 N/A LEU 227.A N TYR 102.A OH no hydrogen 2.868 N/A