Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ws2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N SER 1.A OG no hydrogen 3.164 N/A ALA 4.A N SER 1.A O no hydrogen 3.118 N/A ALA 4.A N SER 1.A OG no hydrogen 3.201 N/A ARG 5.A N SER 1.A O no hydrogen 2.922 N/A ARG 5.A NH1 GLU 9.A OE2.A no hydrogen 2.633 N/A ARG 5.A NH1 GLU 9.A OE2.B no hydrogen 3.353 N/A GLU 9.A N.A PRO 6.A O no hydrogen 2.905 N/A GLU 9.A N.B PRO 6.A O no hydrogen 2.876 N/A LEU 10.A N PRO 6.A O no hydrogen 3.123 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 2.997 N/A ARG 13.A NH1 ASP 59.A OD2 no hydrogen 2.923 N/A GLY 14.A N GLU 12.A OE2 no hydrogen 2.937 N/A TRP 15.A N GLU 12.A OE1 no hydrogen 3.012 N/A ALA 16.A N GLU 12.A O no hydrogen 2.810 N/A ALA 17.A N ARG 13.A O no hydrogen 3.231 N/A ALA 18.A N GLY 14.A O no hydrogen 2.914 N/A LEU 19.A N TRP 15.A O no hydrogen 2.883 N/A GLU 20.A N.A ALA 17.A O no hydrogen 3.207 N/A GLU 20.A N.B ALA 17.A O no hydrogen 3.203 N/A VAL 22.A N LEU 19.A O no hydrogen 2.865 N/A ALA 23.A N GLU 20.A O.A no hydrogen 3.177 N/A ALA 23.A N GLU 20.A O.B no hydrogen 3.060 N/A GLN 25.A NE2 GLY 145.A O no hydrogen 2.873 N/A VAL 26.A N VAL 22.A O no hydrogen 2.836 N/A ALA 27.A N ALA 23.A O no hydrogen 3.185 N/A HIS 28.A N.A ASP 24.A O no hydrogen 2.841 N/A HIS 28.A N.B ASP 24.A O no hydrogen 2.856 N/A MET 29.A N GLN 25.A O no hydrogen 2.876 N/A GLY 30.A N VAL 26.A O no hydrogen 3.074 N/A GLN 31.A N ALA 27.A O no hydrogen 3.050 N/A PHE 32.A N HIS 28.A O.A no hydrogen 2.877 N/A PHE 32.A N HIS 28.A O.B no hydrogen 2.804 N/A LEU 33.A N MET 29.A O no hydrogen 2.957 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 2.909 N/A ILE 37.A N LEU 33.A O no hydrogen 3.113 N/A ALA 38.A N ARG 34.A O no hydrogen 2.886 N/A ALA 39.A N ALA 35.A O no hydrogen 2.918 N/A GLY 40.A N ILE 37.A O no hydrogen 3.036 N/A ARG 41.A N GLU 36.A O no hydrogen 2.906 N/A ARG 41.A NE GLU 36.A OE1 no hydrogen 2.816 N/A ARG 41.A NH2 GLU 36.A OE2 no hydrogen 2.938 N/A LEU 44.A N VAL 133.A O no hydrogen 2.828 N/A ASN 49.A N ALA 46.A O no hydrogen 2.823 N/A VAL 50.A N GLY 47.A O no hydrogen 3.263 N/A ARG 52.A N ASN 49.A O no hydrogen 3.037 N/A ARG 52.A NH1 VAL 78.A O no hydrogen 3.132 N/A PHE 54.A N LEU 51.A O no hydrogen 2.909 N/A THR 55.A N ARG 52.A O no hydrogen 2.959 N/A THR 55.A OG1 ARG 52.A O no hydrogen 2.718 N/A PHE 58.A N GLU 12.A OE1 no hydrogen 3.017 N/A ASN 60.A N PRO 57.A O no hydrogen 3.091 N/A VAL 61.A N PHE 58.A O no hydrogen 3.302 N/A ARG 62.A N.A GLY 123.A O no hydrogen 2.802 N/A ARG 62.A N.B GLY 123.A O no hydrogen 2.771 N/A ARG 62.A NE.A GLU 221.A O no hydrogen 3.023 N/A ARG 62.A NH1.A GLU 221.A O no hydrogen 3.390 N/A ARG 62.A NH1.A PRO 222.A O no hydrogen 2.959 N/A ARG 62.A NH1.B GLU 221.A O no hydrogen 2.626 N/A ARG 62.A NH1.B PRO 222.A O no hydrogen 2.768 N/A ARG 62.A NH2.B ARG 122.A O no hydrogen 2.819 N/A VAL 63.A N GLY 123.A O no hydrogen 3.186 N/A LEU 64.A N VAL 165.A O no hydrogen 2.870 N/A ILE 65.A N LEU 125.A O no hydrogen 2.856 N/A VAL 66.A N ILE 167.A O no hydrogen 2.880 N/A GLY 67.A N LEU 127.A O no hydrogen 2.977 N/A TYR 71.A OH PHE 82.A O no hydrogen 2.653 N/A HIS 76.A N THR 73.A O no hydrogen 3.035 N/A SER 81.A N LEU 126.A O no hydrogen 2.923 N/A SER 81.A OG LEU 127.A O no hydrogen 2.945 N/A SER 83.A N LEU 80.A O no hydrogen 3.173 N/A VAL 84.A N GLY 114.A O no hydrogen 3.022 N/A VAL 88.A N ALA 85.A O no hydrogen 3.032 N/A ARG 89.A NH2.A ASP 87.A O no hydrogen 2.885 N/A ALA 96.A N PRO 92.A O no hydrogen 2.976 N/A ASN 97.A N ARG 93.A O no hydrogen 3.019 N/A ASN 97.A ND2 PRO 193.A O no hydrogen 2.819 N/A ILE 98.A N SER 94.A O no hydrogen 2.900 N/A PHE 99.A N LEU 95.A O no hydrogen 2.860 N/A ASP 100.A N.A ALA 96.A O no hydrogen 2.935 N/A ASP 100.A N.B ALA 96.A O no hydrogen 2.970 N/A GLU 101.A N ASN 97.A O no hydrogen 3.061 N/A TYR 102.A N ILE 98.A O no hydrogen 2.825 N/A THR 103.A N PHE 99.A O no hydrogen 2.948 N/A THR 103.A OG1 ASP 100.A O.A no hydrogen 2.852 N/A THR 103.A OG1 ASP 100.A O.B no hydrogen 2.961 N/A ALA 104.A N ASP 100.A O.A no hydrogen 3.029 N/A ALA 104.A N ASP 100.A O.B no hydrogen 3.008 N/A ASP 105.A N GLU 101.A O no hydrogen 2.783 N/A LEU 106.A N TYR 102.A O no hydrogen 2.972 N/A GLY 107.A N THR 103.A O no hydrogen 2.818 N/A SER 112.A N PRO 228.A OXT no hydrogen 2.881 N/A SER 112.A OG PRO 228.A O no hydrogen 2.565 N/A SER 112.A OG PRO 228.A OXT no hydrogen 3.394 N/A ASP 115.A N ASN 113.A OD1 no hydrogen 2.964 N/A LEU 116.A N SER 83.A OG no hydrogen 2.865 N/A THR 117.A N.A ASP 115.A OD1 no hydrogen 2.977 N/A THR 117.A N.B ASP 115.A OD1 no hydrogen 2.966 N/A THR 117.A OG1.A ASP 115.A OD1 no hydrogen 2.856 N/A THR 117.A OG1.A ASP 115.A OD2 no hydrogen 3.313 N/A THR 117.A OG1.B ASP 115.A OD1 no hydrogen 2.629 N/A TRP 119.A NE1 TRP 225.A O no hydrogen 2.854 N/A ALA 120.A N LEU 116.A O no hydrogen 3.393 N/A GLN 121.A N THR 117.A O.A no hydrogen 2.898 N/A GLN 121.A N THR 117.A O.B no hydrogen 2.943 N/A ARG 122.A N TRP 119.A O no hydrogen 3.028 N/A ARG 122.A NH1 ASP 224.A O no hydrogen 2.817 N/A ARG 122.A NH1 ARG 226.A O.A no hydrogen 2.887 N/A ARG 122.A NH1 ARG 226.A O.B no hydrogen 2.886 N/A VAL 124.A N TRP 119.A O no hydrogen 3.025 N/A LEU 125.A N VAL 63.A O no hydrogen 2.816 N/A LEU 127.A N ILE 65.A O no hydrogen 2.864 N/A ARG 129.A N GLY 67.A O no hydrogen 2.892 N/A ARG 129.A NE THR 175.A OG1 no hydrogen 2.898 N/A ARG 129.A NH1 GLU 147.A O no hydrogen 2.859 N/A ARG 129.A NH1 THR 150.A OG1 no hydrogen 2.916 N/A ARG 129.A NH2 THR 175.A OG1 no hydrogen 3.194 N/A VAL 130.A N GLN 68.A O no hydrogen 3.062 N/A THR 132.A OG1 HIS 141.A ND1 no hydrogen 2.690 N/A VAL 133.A N LEU 44.A O no hydrogen 2.987 N/A ARG 134.A N SER 140.A OG no hydrogen 2.915 N/A SER 136.A N PRO 72.A O no hydrogen 2.780 N/A ASN 137.A N ARG 134.A O no hydrogen 3.070 N/A ALA 139.A N ASP 69.A OD2 no hydrogen 2.720 N/A SER 140.A N ASN 137.A O no hydrogen 3.076 N/A SER 140.A OG ASN 137.A O no hydrogen 2.672 N/A HIS 141.A ND1 THR 132.A OG1 no hydrogen 2.690 N/A ARG 142.A N ALA 139.A O no hydrogen 3.020 N/A ARG 142.A NE ASP 172.A OD2 no hydrogen 2.999 N/A ARG 142.A NH2 ASP 172.A OD2 no hydrogen 2.903 N/A GLY 143.A N GLU 147.A OE2 no hydrogen 2.857 N/A LYS 144.A N HIS 141.A O no hydrogen 3.333 N/A TRP 146.A NE1 THR 132.A OG1 no hydrogen 2.806 N/A GLU 147.A N GLU 147.A OE1 no hydrogen 2.781 N/A THR 150.A N TRP 146.A O no hydrogen 3.094 N/A THR 150.A OG1 ARG 129.A O no hydrogen 2.719 N/A THR 150.A OG1 GLU 147.A O no hydrogen 3.462 N/A GLU 151.A N GLU 147.A O no hydrogen 2.887 N/A CYS 152.A N ALA 148.A O no hydrogen 3.049 N/A CYS 152.A SG ALA 18.A O no hydrogen 3.421 N/A ALA 153.A N VAL 149.A O no hydrogen 3.010 N/A ILE 154.A N THR 150.A O no hydrogen 3.013 N/A ARG 155.A N GLU 151.A O no hydrogen 2.929 N/A ARG 155.A NH1 GLU 151.A OE2 no hydrogen 2.725 N/A ALA 156.A N CYS 152.A O no hydrogen 2.954 N/A LEU 157.A N ALA 153.A O no hydrogen 2.986 N/A ALA 158.A N ILE 154.A O no hydrogen 2.914 N/A ALA 159.A N ARG 155.A O no hydrogen 2.997 N/A ALA 159.A N ALA 156.A O no hydrogen 3.152 N/A ARG 160.A N LEU 157.A O no hydrogen 3.274 N/A ARG 160.A NE LEU 157.A O no hydrogen 3.026 N/A ARG 160.A NH1 VAL 61.A O no hydrogen 2.989 N/A ARG 160.A NH2 PHE 58.A O no hydrogen 2.888 N/A ARG 160.A NH2 VAL 61.A O no hydrogen 2.840 N/A LEU 164.A N ASN 184.A O no hydrogen 3.097 N/A VAL 165.A N ARG 62.A O.A no hydrogen 3.009 N/A VAL 165.A N ARG 62.A O.B no hydrogen 3.025 N/A ALA 166.A N VAL 186.A O no hydrogen 2.806 N/A ILE 167.A N LEU 64.A O no hydrogen 2.723 N/A LEU 168.A N ILE 188.A O no hydrogen 2.878 N/A TRP 169.A N VAL 66.A O no hydrogen 2.879 N/A GLY 170.A N SER 190.A O.A no hydrogen 3.054 N/A GLY 170.A N SER 190.A O.B no hydrogen 3.098 N/A SER 174.A N GLY 170.A O no hydrogen 3.015 N/A SER 174.A OG ARG 171.A O no hydrogen 2.673 N/A THR 175.A N ASP 172.A O no hydrogen 3.148 N/A THR 175.A OG1 ASP 172.A O no hydrogen 2.744 N/A LEU 176.A N ALA 173.A O no hydrogen 3.041 N/A LYS 177.A N SER 174.A O no hydrogen 3.033 N/A LYS 177.A NZ GLU 189.A OE1 no hydrogen 3.005 N/A MET 179.A N LEU 176.A O no hydrogen 3.146 N/A LEU 180.A N LEU 176.A O no hydrogen 3.332 N/A LEU 180.A N LYS 177.A O no hydrogen 2.939 N/A ALA 181.A N PRO 178.A O no hydrogen 3.364 N/A ASN 184.A N ASN 184.A OD1 no hydrogen 2.569 N/A ASN 184.A ND2 ALA 158.A O no hydrogen 2.685 N/A ASN 184.A ND2 ALA 162.A O no hydrogen 3.369 N/A CYS 185.A N.A ALA 182.A O no hydrogen 2.830 N/A CYS 185.A N.B ALA 182.A O no hydrogen 2.839 N/A CYS 185.A SG.A ALA 158.A O no hydrogen 3.739 N/A CYS 185.A SG.B LEU 164.A O no hydrogen 3.714 N/A CYS 185.A SG.B LEU 180.A O no hydrogen 3.875 N/A CYS 185.A SG.B VAL 186.A O no hydrogen 4.007 N/A VAL 186.A N LEU 164.A O no hydrogen 3.100 N/A ILE 188.A N ALA 166.A O no hydrogen 2.731 N/A SER 190.A N.A LEU 168.A O no hydrogen 3.132 N/A SER 190.A N.B LEU 168.A O no hydrogen 3.113 N/A SER 190.A OG.A PRO 191.A O no hydrogen 2.887 N/A SER 194.A N HIS 192.A ND1 no hydrogen 2.963 N/A LEU 196.A N SER 194.A OG no hydrogen 3.077 N/A SER 197.A N SER 194.A O no hydrogen 2.940 N/A SER 197.A OG HIS 192.A O no hydrogen 2.767 N/A ALA 198.A N SER 194.A O no hydrogen 2.839 N/A ARG 200.A N SER 197.A O no hydrogen 2.903 N/A GLY 201.A N ALA 198.A O no hydrogen 3.317 N/A PHE 202.A N ALA 198.A O no hydrogen 2.849 N/A PHE 203.A N ALA 198.A O no hydrogen 3.255 N/A GLY 204.A N GLU 101.A OE1 no hydrogen 2.773 N/A SER 205.A N PHE 202.A O no hydrogen 3.019 N/A SER 205.A OG PHE 202.A O no hydrogen 2.645 N/A ARG 206.A N GLU 101.A OE2 no hydrogen 2.785 N/A ARG 206.A NE ASP 105.A OD1 no hydrogen 2.825 N/A ARG 206.A NH1 ASP 105.A O no hydrogen 3.033 N/A ARG 206.A NH1 ASP 105.A OD1 no hydrogen 3.305 N/A PHE 208.A N ASP 105.A OD2 no hydrogen 3.050 N/A SER 209.A N ASP 105.A OD2 no hydrogen 2.944 N/A SER 209.A OG ASP 105.A OD1 no hydrogen 2.568 N/A SER 209.A OG ASP 105.A OD2 no hydrogen 3.533 N/A ARG 210.A N ARG 206.A O no hydrogen 3.150 N/A ARG 210.A NH2 SER 205.A O no hydrogen 2.868 N/A ALA 211.A N PRO 207.A O no hydrogen 2.948 N/A ASN 212.A N PHE 208.A O no hydrogen 3.173 N/A ASN 212.A ND2 ILE 223.A O no hydrogen 2.972 N/A GLU 213.A N.A SER 209.A O no hydrogen 2.957 N/A GLU 213.A N.B SER 209.A O no hydrogen 2.920 N/A LEU 214.A N ARG 210.A O no hydrogen 2.961 N/A LEU 215.A N ALA 211.A O no hydrogen 2.881 N/A VAL 216.A N ASN 212.A O no hydrogen 3.002 N/A GLY 217.A N GLU 213.A O.A no hydrogen 2.910 N/A GLY 217.A N GLU 213.A O.B no hydrogen 3.067 N/A MET 218.A N.A LEU 214.A O no hydrogen 3.186 N/A MET 218.A N.A LEU 215.A O no hydrogen 2.967 N/A MET 218.A N.B LEU 214.A O no hydrogen 3.228 N/A MET 218.A N.B LEU 215.A O no hydrogen 2.996 N/A GLY 219.A N VAL 216.A O no hydrogen 3.014 N/A ALA 220.A N LEU 215.A O no hydrogen 2.882 N/A ILE 223.A N ASN 212.A OD1 no hydrogen 2.796 N/A TRP 225.A NE1 PHE 208.A O no hydrogen 3.113 N/A ARG 226.A N.A ASP 224.A OD1 no hydrogen 2.996 N/A ARG 226.A N.B ASP 224.A OD1 no hydrogen 2.988 N/A ARG 226.A NE.B LEU 227.A O no hydrogen 3.119 N/A ARG 226.A NH1.A LEU 227.A O no hydrogen 2.775 N/A LEU 227.A N TYR 102.A OH no hydrogen 2.875 N/A