Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ca6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG.B ASP 44.A OD1 no hydrogen 2.727 N/A PHE 3.A N PHE 43.A O no hydrogen 3.187 N/A THR 4.A OG1 THR 42.A OG1 no hydrogen 2.726 N/A ARG 5.A N TRP 41.A O no hydrogen 2.917 N/A ARG 5.A NH1 THR 4.A O no hydrogen 2.973 N/A ASN 6.A N THR 126.A O no hydrogen 2.970 N/A ASN 6.A ND2 GLY 34.A O no hydrogen 3.025 N/A VAL 8.A N THR 124.A O no hydrogen 2.846 N/A GLY 9.A N LEU 13.A O no hydrogen 2.795 N/A ARG 10.A NH1 ALA 101.A O no hydrogen 2.848 N/A ASP 11.A N ASP 172.A OD2 no hydrogen 3.083 N/A GLY 12.A N GLY 9.A O no hydrogen 2.756 N/A LEU 13.A N ARG 10.A O no hydrogen 3.137 N/A CYS 14.A N.A TRP 31.A O no hydrogen 2.849 N/A CYS 14.A N.B TRP 31.A O no hydrogen 2.853 N/A CYS 14.A SG.A ILE 7.A O no hydrogen 3.800 N/A CYS 14.A SG.B ILE 7.A O no hydrogen 3.411 N/A VAL 15.A N ILE 7.A O no hydrogen 2.921 N/A ASP 16.A N GLN 29.A O no hydrogen 2.871 N/A VAL 17.A N ASN 38.A O no hydrogen 2.936 N/A ARG 18.A N PRO 27.A O.A no hydrogen 3.055 N/A ARG 18.A N PRO 27.A O.B no hydrogen 2.973 N/A ARG 18.A NH2 ARG 107.A O no hydrogen 2.856 N/A GLY 20.A N VAL 17.A O no hydrogen 2.863 N/A TYR 21.A N ARG 18.A O no hydrogen 3.313 N/A THR 23.A OG1 THR 26.A OG1 no hydrogen 2.966 N/A GLY 25.A N ILE 69.A O no hydrogen 2.831 N/A THR 26.A N THR 23.A O no hydrogen 3.018 N/A THR 26.A OG1 THR 23.A O no hydrogen 2.732 N/A LEU 28.A N ILE 67.A O no hydrogen 3.064 N/A GLN 29.A N ASP 16.A O no hydrogen 2.872 N/A GLN 29.A NE2 ASP 16.A OD2 no hydrogen 2.953 N/A LEU 30.A N THR 108.A O no hydrogen 2.922 N/A TRP 31.A N CYS 14.A O.A no hydrogen 3.017 N/A TRP 31.A N CYS 14.A O.B no hydrogen 3.030 N/A CYS 33.A SG.A GLY 12.A O no hydrogen 3.404 N/A CYS 33.A SG.B GLY 12.A O no hydrogen 3.013 N/A CYS 33.A SG.B VAL 129.A O no hydrogen 3.608 N/A GLY 34.A N GLN 39.A OE1 no hydrogen 2.909 N/A ASN 38.A ND2 VAL 17.A O no hydrogen 2.932 N/A GLN 39.A N GLN 36.A O no hydrogen 2.889 N/A GLN 39.A NE2 ASP 16.A OD1 no hydrogen 2.907 N/A GLN 39.A NE2 PRO 32.A O no hydrogen 2.907 N/A ARG 40.A N ARG 37.A O no hydrogen 3.111 N/A ARG 40.A NH1 ASN 6.A OD1 no hydrogen 2.851 N/A ARG 40.A NH1 ASN 127.A OD1 no hydrogen 2.806 N/A ARG 40.A NH2 ASN 127.A OD1 no hydrogen 3.090 N/A TRP 41.A N ARG 5.A O no hydrogen 2.830 N/A TRP 41.A NE1 VAL 15.A O no hydrogen 3.082 N/A THR 42.A N ARG 50.A O no hydrogen 2.764 N/A THR 42.A OG1 THR 4.A OG1 no hydrogen 2.726 N/A PHE 43.A N PHE 3.A O no hydrogen 2.758 N/A ASP 44.A N THR 48.A O no hydrogen 3.223 N/A SER 45.A N THR 1.A O no hydrogen 3.118 N/A SER 45.A OG ASP 44.A OD2 no hydrogen 2.661 N/A ASP 46.A N ASP 44.A OD2 no hydrogen 2.642 N/A ASP 47.A N ASP 44.A O no hydrogen 3.032 N/A THR 48.A N ASP 46.A OD1 no hydrogen 3.009 N/A THR 48.A OG1 ASP 46.A OD1 no hydrogen 2.629 N/A THR 48.A OG1 ASP 46.A OD2 no hydrogen 3.448 N/A ARG 50.A N THR 42.A O no hydrogen 2.876 N/A ARG 50.A NE THR 48.A OG1 no hydrogen 2.959 N/A SER 51.A N LYS 54.A O no hydrogen 2.901 N/A SER 51.A OG ARG 37.A O no hydrogen 2.979 N/A SER 51.A OG ARG 40.A O no hydrogen 3.255 N/A LYS 54.A N SER 51.A O no hydrogen 2.990 N/A LYS 54.A NZ ASP 22.A O no hydrogen 2.759 N/A LYS 54.A NZ ASP 24.A OD2 no hydrogen 2.782 N/A CYS 55.A N.A PHE 70.A O no hydrogen 2.862 N/A CYS 55.A N.B PHE 70.A O no hydrogen 2.873 N/A MET 56.A N ILE 49.A O no hydrogen 2.800 N/A THR 57.A N VAL 68.A O no hydrogen 2.798 N/A THR 57.A OG1 CYS 55.A O.A no hydrogen 2.604 N/A THR 57.A OG1 CYS 55.A O.B no hydrogen 3.196 N/A ALA 58.A N ALA 79.A O no hydrogen 2.911 N/A ASN 59.A N ASN 66.A O no hydrogen 2.793 N/A ASN 62.A N SER 65.A OG no hydrogen 3.033 N/A GLY 64.A N LEU 112.A O no hydrogen 2.762 N/A SER 65.A N ASN 62.A O no hydrogen 2.984 N/A SER 65.A OG ASN 62.A O no hydrogen 3.057 N/A ILE 67.A N LEU 110.A O no hydrogen 3.347 N/A VAL 68.A N THR 57.A O no hydrogen 2.878 N/A ILE 69.A N THR 26.A O no hydrogen 2.905 N/A PHE 70.A N CYS 55.A O.A no hydrogen 3.027 N/A PHE 70.A N CYS 55.A O.B no hydrogen 2.935 N/A ASN 71.A N ASP 24.A OD2 no hydrogen 2.887 N/A SER 73.A N ASN 71.A OD1 no hydrogen 2.901 N/A SER 73.A OG ASN 71.A OD1 no hydrogen 2.816 N/A THR 74.A N ASN 71.A OD1 no hydrogen 3.119 N/A ALA 75.A N ASN 71.A O no hydrogen 3.098 N/A ALA 79.A N ALA 76.A O no hydrogen 2.985 N/A ILE 80.A N GLU 77.A O no hydrogen 3.223 N/A TRP 82.A N ASP 47.A O no hydrogen 2.808 N/A TRP 82.A NE1 MET 56.A O no hydrogen 2.934 N/A GLU 83.A N ILE 91.A O no hydrogen 2.926 N/A GLY 88.A N PRO 85.A O no hydrogen 2.935 N/A SER 89.A N ASP 87.A OD2 no hydrogen 3.066 N/A SER 89.A OG ASP 87.A OD2 no hydrogen 2.855 N/A ILE 91.A N GLU 83.A O no hydrogen 3.000 N/A ASN 92.A N LEU 97.A O no hydrogen 2.920 N/A ASN 92.A ND2 ASN 78.A O.A no hydrogen 2.901 N/A ASN 92.A ND2 ASN 78.A O.B no hydrogen 2.928 N/A ASN 92.A ND2 LYS 81.A O no hydrogen 3.181 N/A SER 95.A N ASN 92.A OD1 no hydrogen 3.119 N/A SER 95.A OG ASN 92.A OD1 no hydrogen 2.912 N/A GLY 96.A N ASN 92.A O no hydrogen 2.857 N/A LEU 97.A N SER 95.A OG no hydrogen 3.120 N/A VAL 98.A N GLU 113.A O no hydrogen 2.983 N/A MET 99.A N.A ILE 90.A O no hydrogen 2.935 N/A MET 99.A N.B ILE 90.A O no hydrogen 2.945 N/A THR 100.A N LEU 111.A O no hydrogen 2.795 N/A THR 100.A OG1 VAL 98.A O no hydrogen 2.973 N/A ALA 101.A N SER 120.A O.A no hydrogen 2.991 N/A ALA 101.A N SER 120.A O.B no hydrogen 2.857 N/A ARG 107.A N LEU 30.A O no hydrogen 2.824 N/A THR 108.A N ALA 105.A O no hydrogen 3.167 N/A THR 108.A OG1 ARG 103.A O no hydrogen 3.401 N/A THR 108.A OG1 ALA 105.A O no hydrogen 2.600 N/A LEU 110.A N LEU 28.A O no hydrogen 2.968 N/A LEU 111.A N THR 100.A O no hydrogen 3.036 N/A LEU 112.A N SER 65.A O no hydrogen 2.810 N/A GLU 113.A N VAL 98.A O no hydrogen 2.970 N/A ASP 114.A N ASN 63.A OD1 no hydrogen 2.978 N/A ILE 116.A N GLN 121.A OE1 no hydrogen 2.982 N/A TYR 117.A N ASN 115.A OD1 no hydrogen 2.923 N/A ALA 118.A N GLN 121.A OE1 no hydrogen 3.143 N/A ALA 119.A N LEU 204.A O no hydrogen 3.260 N/A SER 120.A N.A GLY 203.A O no hydrogen 3.123 N/A SER 120.A N.B GLY 203.A O no hydrogen 3.132 N/A SER 120.A OG.B ALA 101.A O no hydrogen 3.472 N/A SER 120.A OG.B GLY 203.A O no hydrogen 3.340 N/A GLN 121.A N ALA 118.A O no hydrogen 2.935 N/A GLN 121.A NE2 THR 100.A OG1 no hydrogen 3.025 N/A GLN 121.A NE2 ASP 114.A O no hydrogen 2.955 N/A GLY 122.A N ALA 119.A O no hydrogen 3.158 N/A TRP 123.A N GLY 88.A O no hydrogen 2.864 N/A TRP 123.A NE1 MET 99.A O.A no hydrogen 3.215 N/A TRP 123.A NE1 MET 99.A O.B no hydrogen 2.860 N/A THR 124.A N VAL 8.A O no hydrogen 2.810 N/A THR 124.A OG1 GLY 171.A O no hydrogen 2.695 N/A THR 126.A N ASN 6.A O no hydrogen 3.059 N/A ASN 128.A N THR 126.A OG1 no hydrogen 3.014 N/A LYS 130.A N ASN 128.A OD1 no hydrogen 2.866 N/A ILE 132.A N LEU 169.A O no hydrogen 3.347 N/A ALA 134.A N TRP 167.A O no hydrogen 2.912 N/A SER 135.A N GLN 254.A O.A no hydrogen 2.957 N/A SER 135.A N GLN 254.A O.B no hydrogen 2.769 N/A VAL 137.A N VAL 252.A O.A no hydrogen 2.793 N/A VAL 137.A N VAL 252.A O.B no hydrogen 2.922 N/A GLY 138.A N MET 142.A O no hydrogen 2.829 N/A TYR 139.A OH SER 231.A O no hydrogen 3.426 N/A MET 142.A N TYR 139.A O no hydrogen 3.109 N/A CYS 143.A N GLU 156.A O.A no hydrogen 2.730 N/A CYS 143.A N GLU 156.A O.B no hydrogen 2.870 N/A LEU 144.A N ILE 136.A O no hydrogen 2.859 N/A GLN 145.A N TRP 154.A O no hydrogen 2.785 N/A SER 146.A N GLN 164.A O no hydrogen 2.913 N/A SER 146.A OG GLN 164.A O no hydrogen 3.233 N/A ASN 150.A N ILE 198.A O no hydrogen 2.736 N/A ASN 151.A N GLY 148.A O no hydrogen 3.084 N/A ASN 151.A ND2 ASN 147.A O no hydrogen 3.002 N/A GLY 152.A N ASN 151.A OD1 no hydrogen 2.918 N/A VAL 153.A N ILE 196.A O no hydrogen 3.188 N/A TRP 154.A N GLN 145.A O no hydrogen 3.065 N/A TRP 154.A NE1 GLU 156.A OE1.B no hydrogen 2.967 N/A GLU 156.A N.A CYS 143.A O no hydrogen 2.870 N/A GLU 156.A N.B CYS 143.A O no hydrogen 2.963 N/A ASP 157.A N GLU 156.A OE1.A no hydrogen 2.788 N/A CYS 158.A SG GLU 141.A O no hydrogen 3.563 N/A GLU 159.A N GLN 165.A OE1 no hydrogen 2.895 N/A SER 162.A N GLU 159.A O no hydrogen 3.082 N/A GLN 165.A N SER 162.A O no hydrogen 3.165 N/A GLN 165.A NE2 GLN 145.A OE1 no hydrogen 3.102 N/A GLN 165.A NE2 ASP 157.A O no hydrogen 2.978 N/A GLN 166.A N LEU 163.A O no hydrogen 3.035 N/A GLN 166.A NE2 ALA 160.A O no hydrogen 3.570 N/A TRP 167.A N ALA 134.A O no hydrogen 2.925 N/A TRP 167.A NE1 LEU 144.A O no hydrogen 3.017 N/A ALA 168.A N ARG 176.A O no hydrogen 2.856 N/A LEU 169.A N ILE 132.A O no hydrogen 2.737 N/A TYR 170.A N THR 174.A O no hydrogen 3.168 N/A ARG 173.A N TYR 170.A O no hydrogen 2.976 N/A ARG 173.A NE TRP 123.A O no hydrogen 3.162 N/A ARG 173.A NH1 TRP 123.A O no hydrogen 3.033 N/A THR 174.A N ASP 172.A OD1 no hydrogen 3.187 N/A THR 174.A OG1 ASP 172.A OD1 no hydrogen 2.605 N/A ARG 176.A N ALA 168.A O no hydrogen 2.906 N/A ARG 176.A NE THR 174.A OG1 no hydrogen 2.806 N/A ARG 176.A NH1 ASP 11.A OD2 no hydrogen 2.862 N/A ARG 176.A NH1 ASP 172.A OD2 no hydrogen 2.873 N/A ARG 176.A NH2 ASP 11.A OD2 no hydrogen 3.344 N/A ARG 176.A NH2 ARG 181.A O no hydrogen 2.946 N/A VAL 177.A N LEU 183.A O no hydrogen 3.103 N/A ASN 178.A N GLN 166.A O no hydrogen 3.061 N/A THR 180.A N VAL 177.A O no hydrogen 3.101 N/A ARG 181.A NE ASN 178.A O no hydrogen 3.264 N/A ARG 181.A NE ASN 178.A OD1 no hydrogen 3.173 N/A ARG 181.A NH1 ASN 178.A OD1 no hydrogen 2.750 N/A LEU 183.A N THR 180.A O no hydrogen 3.005 N/A CYS 184.A N.A LEU 199.A O no hydrogen 2.834 N/A CYS 184.A N.B LEU 199.A O no hydrogen 2.954 N/A CYS 184.A SG.B LEU 199.A O no hydrogen 3.873 N/A VAL 185.A N ILE 175.A O no hydrogen 2.880 N/A THR 186.A N ILE 197.A O no hydrogen 2.847 N/A THR 186.A OG1 CYS 184.A O.A no hydrogen 2.716 N/A THR 186.A OG1 CYS 184.A O.B no hydrogen 3.177 N/A THR 187.A N SER 206.A O no hydrogen 2.959 N/A THR 187.A OG1 GLY 189.A O no hydrogen 2.773 N/A ASN 188.A N LEU 195.A O no hydrogen 2.871 N/A ASN 191.A N ASP 194.A OD1 no hydrogen 2.853 N/A LYS 193.A N ILE 240.A O no hydrogen 2.903 N/A ASP 194.A N ASN 191.A O no hydrogen 3.005 N/A ILE 196.A N ILE 238.A O.A no hydrogen 2.938 N/A ILE 196.A N ILE 238.A O.B no hydrogen 2.855 N/A ILE 197.A N THR 186.A O no hydrogen 2.923 N/A ILE 198.A N ASN 151.A O no hydrogen 2.962 N/A LEU 199.A N CYS 184.A O.A no hydrogen 3.119 N/A LEU 199.A N CYS 184.A O.B no hydrogen 3.015 N/A CYS 201.A N.A GLY 182.A O no hydrogen 2.849 N/A CYS 201.A N.B GLY 182.A O no hydrogen 2.865 N/A CYS 201.A SG.B GLN 207.A OE1 no hydrogen 3.953 N/A GLN 202.A N GLN 207.A OE1 no hydrogen 2.856 N/A LEU 204.A N GLN 207.A OE1 no hydrogen 3.287 N/A GLN 207.A N LEU 204.A O no hydrogen 3.003 N/A GLN 207.A NE2 THR 186.A OG1 no hydrogen 2.983 N/A GLN 207.A NE2 LYS 200.A O no hydrogen 2.978 N/A ARG 208.A N PRO 205.A O no hydrogen 3.456 N/A ARG 208.A NH1 ALA 118.A O no hydrogen 2.887 N/A ARG 208.A NH2 ASP 87.A O no hydrogen 2.946 N/A ARG 208.A NH2 SER 89.A OG no hydrogen 3.158 N/A TRP 209.A N ARG 173.A O no hydrogen 2.947 N/A TRP 209.A NE1 VAL 185.A O no hydrogen 3.000 N/A PHE 210.A N VAL 218.A O no hydrogen 2.798 N/A ASN 212.A N ALA 216.A O no hydrogen 3.096 N/A ASP 214.A N ASN 212.A OD1 no hydrogen 2.906 N/A GLY 215.A N ASN 212.A O no hydrogen 3.194 N/A ALA 216.A N ASN 212.A OD1 no hydrogen 2.990 N/A VAL 218.A N PHE 210.A O no hydrogen 2.815 N/A ASN 219.A N LEU 224.A O no hydrogen 2.816 N/A ASN 219.A ND2 PRO 205.A O no hydrogen 2.899 N/A ASN 219.A ND2 ARG 208.A O no hydrogen 2.969 N/A SER 222.A N ASN 219.A OD1 no hydrogen 3.103 N/A SER 222.A OG ASN 219.A O no hydrogen 3.394 N/A SER 222.A OG ASN 219.A OD1 no hydrogen 2.819 N/A ARG 223.A N ASN 219.A O no hydrogen 2.928 N/A ARG 223.A NH2 SER 222.A O no hydrogen 3.327 N/A LEU 224.A N SER 222.A OG no hydrogen 3.039 N/A VAL 225.A N PHE 241.A O no hydrogen 2.896 N/A MET 226.A N.A ILE 217.A O no hydrogen 2.898 N/A MET 226.A N.B ILE 217.A O no hydrogen 2.894 N/A ASP 227.A N ILE 239.A O no hydrogen 2.858 N/A VAL 228.A N ASN 248.A O no hydrogen 2.890 N/A ARG 229.A N GLU 237.A O no hydrogen 3.104 N/A ARG 229.A NH1 GLU 237.A OE1 no hydrogen 3.003 N/A SER 231.A N VAL 228.A O no hydrogen 2.958 N/A ASN 232.A N ARG 229.A O no hydrogen 2.978 N/A SER 234.A N.A ASN 232.A OD1 no hydrogen 3.056 N/A SER 234.A N.B ASN 232.A OD1 no hydrogen 3.052 N/A SER 234.A OG.A ASN 232.A OD1 no hydrogen 2.681 N/A LEU 235.A N ASN 232.A O no hydrogen 3.157 N/A ARG 236.A N VAL 233.A O no hydrogen 3.137 N/A ILE 239.A N ASP 227.A O no hydrogen 2.899 N/A ILE 240.A N ASP 194.A O no hydrogen 3.002 N/A PHE 241.A N VAL 225.A O no hydrogen 2.969 N/A THR 244.A N GLN 249.A OE1 no hydrogen 2.812 N/A ASN 246.A N THR 244.A OG1 no hydrogen 3.122 N/A ASN 248.A ND2 VAL 228.A O no hydrogen 2.913 N/A GLN 249.A N ASN 246.A O no hydrogen 2.941 N/A GLN 249.A NE2 ASP 227.A OD1 no hydrogen 2.859 N/A GLN 249.A NE2 PRO 242.A O no hydrogen 2.948 N/A GLN 250.A N.A PRO 247.A O no hydrogen 3.313 N/A GLN 250.A N.B PRO 247.A O no hydrogen 3.325 N/A GLN 250.A NE2.A GLY 245.A O no hydrogen 3.236 N/A GLN 250.A NE2.B GLY 245.A O no hydrogen 2.885 N/A TRP 251.A N GLY 215.A O no hydrogen 2.873 N/A TRP 251.A NE1 MET 226.A O.A no hydrogen 3.197 N/A VAL 252.A N.A VAL 137.A O no hydrogen 2.792 N/A VAL 252.A N.B VAL 137.A O no hydrogen 2.786 N/A GLN 254.A N.A SER 135.A O no hydrogen 2.953 N/A GLN 254.A N.B SER 135.A O no hydrogen 2.884 N/A LEU 256.A N VAL 133.A O no hydrogen 3.089 N/A