Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8f78_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N ASP 3.A OD1 no hydrogen 2.880 N/A GLU 6.A N ASP 3.A O no hydrogen 3.199 N/A TYR 8.A N LYS 237.A O no hydrogen 3.014 N/A TYR 8.A OH ASP 157.A OD1 no hydrogen 2.533 N/A TYR 8.A OH THR 235.A OG1 no hydrogen 3.270 N/A HIS 12.A N ASP 83.A OD1 no hydrogen 2.971 N/A ARG 13.A NE ASP 81.A OD2 no hydrogen 3.285 N/A ARG 13.A NH1 TYR 249.A O no hydrogen 2.711 N/A ARG 13.A NH2 ASP 81.A OD2 no hydrogen 2.728 N/A ARG 13.A NH2 GLN 251.A O no hydrogen 3.270 N/A ARG 14.A N ASP 81.A O no hydrogen 3.107 N/A ARG 14.A NE ASP 81.A OD1 no hydrogen 2.759 N/A ARG 14.A NH1 ASP 81.A OD1 no hydrogen 3.242 N/A ARG 15.A NE LEU 52.A O no hydrogen 2.705 N/A ARG 15.A NH2 LEU 52.A O no hydrogen 3.213 N/A ARG 15.A NH2 PHE 241.A O no hydrogen 2.888 N/A ALA 18.A N GLU 55.A O no hydrogen 3.112 N/A LEU 19.A N VAL 86.A O no hydrogen 2.785 N/A ILE 20.A N LYS 57.A O no hydrogen 2.986 N/A PHE 21.A N VAL 88.A O no hydrogen 3.043 N/A ASN 22.A N PHE 59.A O no hydrogen 2.900 N/A HIS 23.A N LEU 90.A O no hydrogen 2.875 N/A GLU 24.A N ASP 61.A OD1 no hydrogen 2.693 N/A ARG 25.A N ASP 61.A OD1 no hydrogen 3.445 N/A PHE 27.A N TYR 101.A O no hydrogen 2.891 N/A LEU 30.A N PHE 27.A O no hydrogen 3.197 N/A THR 31.A N TRP 28.A O no hydrogen 2.844 N/A ARG 35.A N GLU 24.A O no hydrogen 2.772 N/A ARG 35.A NE HIS 23.A O no hydrogen 3.087 N/A THR 38.A N ARG 35.A O no hydrogen 3.149 N/A THR 38.A OG1 ASN 22.A OD1 no hydrogen 2.522 N/A CYS 39.A SG GLU 24.A OE1 no hydrogen 3.266 N/A ASP 41.A N GLY 37.A O no hydrogen 3.478 N/A ARG 42.A N THR 38.A O no hydrogen 2.984 N/A ARG 42.A NH2 ASP 43.A OD1 no hydrogen 2.716 N/A ASP 43.A N CYS 39.A O no hydrogen 3.025 N/A ASN 44.A N ALA 40.A O no hydrogen 2.883 N/A LEU 45.A N ASP 41.A O no hydrogen 2.921 N/A THR 46.A N ARG 42.A O no hydrogen 2.990 N/A THR 46.A OG1 ARG 42.A O no hydrogen 2.516 N/A ARG 47.A N ASP 43.A O no hydrogen 3.075 N/A ARG 48.A N ASN 44.A O no hydrogen 3.069 N/A PHE 49.A N LEU 45.A O no hydrogen 2.969 N/A SER 50.A N THR 46.A O no hydrogen 3.031 N/A SER 50.A OG THR 46.A O no hydrogen 2.985 N/A ASP 51.A N ARG 47.A O no hydrogen 3.043 N/A LEU 52.A N PHE 49.A O no hydrogen 3.138 N/A GLY 53.A N SER 50.A O no hydrogen 2.719 N/A PHE 54.A N PHE 49.A O no hydrogen 3.003 N/A GLU 55.A N GLY 16.A O no hydrogen 2.902 N/A LYS 57.A N ALA 18.A O no hydrogen 2.754 N/A CYS 58.A SG THR 46.A OG1 no hydrogen 3.193 N/A PHE 59.A N ILE 20.A O no hydrogen 2.851 N/A ASP 61.A N ASN 22.A O no hydrogen 2.845 N/A LYS 63.A N GLU 66.A OE1 no hydrogen 3.021 N/A ALA 64.A N ASP 102.A OD1 no hydrogen 2.927 N/A LEU 67.A N LYS 63.A O no hydrogen 2.902 N/A LEU 68.A N ALA 64.A O no hydrogen 2.967 N/A LEU 69.A N GLU 65.A O no hydrogen 2.965 N/A LYS 70.A N GLU 66.A O no hydrogen 3.000 N/A LYS 70.A NZ GLU 73.A OE2 no hydrogen 3.450 N/A ILE 71.A N LEU 67.A O no hydrogen 2.987 N/A HIS 72.A N LEU 68.A O no hydrogen 2.917 N/A GLU 73.A N LEU 69.A O no hydrogen 2.909 N/A VAL 74.A N LYS 70.A O no hydrogen 3.168 N/A SER 75.A N ILE 71.A O no hydrogen 3.191 N/A SER 75.A OG HIS 72.A O no hydrogen 3.129 N/A THR 76.A OG1 HIS 72.A O no hydrogen 2.932 N/A THR 76.A OG1 GLU 73.A O no hydrogen 3.368 N/A VAL 77.A N GLU 73.A O no hydrogen 3.299 N/A HIS 79.A NE2 VAL 74.A O no hydrogen 2.831 N/A ALA 80.A N SER 78.A OG no hydrogen 3.300 N/A ALA 82.A N HIS 79.A O no hydrogen 2.936 N/A ASP 83.A N ARG 14.A O no hydrogen 3.239 N/A ASP 83.A N ARG 15.A O no hydrogen 3.023 N/A CYS 84.A N ARG 15.A O no hydrogen 3.133 N/A CYS 84.A SG ARG 15.A O no hydrogen 3.769 N/A PHE 85.A N PRO 126.A O no hydrogen 3.241 N/A VAL 86.A N ILE 17.A O no hydrogen 3.084 N/A CYS 87.A N ILE 128.A O no hydrogen 2.920 N/A VAL 88.A N LEU 19.A O no hydrogen 2.772 N/A PHE 89.A N ILE 130.A O no hydrogen 2.971 N/A LEU 90.A N PHE 21.A O no hydrogen 2.907 N/A SER 91.A N GLN 132.A O no hydrogen 3.089 N/A SER 91.A OG HIS 92.A O no hydrogen 3.324 N/A SER 91.A OG TYR 99.A O no hydrogen 2.518 N/A GLY 93.A N ALA 134.A O no hydrogen 2.852 N/A GLU 94.A N HIS 97.A O no hydrogen 3.260 N/A GLY 95.A N SER 148.A O no hydrogen 2.936 N/A HIS 97.A N GLU 94.A O no hydrogen 2.873 N/A ILE 98.A N ILE 105.A O no hydrogen 2.860 N/A TYR 99.A N HIS 92.A O no hydrogen 2.960 N/A ALA 100.A N ALA 103.A O no hydrogen 2.907 N/A TYR 101.A N LEU 62.A O no hydrogen 3.018 N/A LYS 104.A NZ GLU 94.A OE1 no hydrogen 2.581 N/A ILE 105.A N ILE 98.A O no hydrogen 2.775 N/A ILE 107.A N ASN 96.A O no hydrogen 2.663 N/A GLN 108.A N GLN 108.A OE1 no hydrogen 2.673 N/A THR 109.A OG1 GLU 106.A O no hydrogen 3.188 N/A THR 111.A N ILE 107.A O no hydrogen 3.033 N/A THR 111.A OG1 ILE 107.A O no hydrogen 3.366 N/A THR 111.A OG1 GLN 108.A O no hydrogen 3.240 N/A GLY 112.A N GLN 108.A O no hydrogen 2.687 N/A LEU 113.A N LEU 110.A O no hydrogen 3.290 N/A PHE 114.A N THR 111.A O no hydrogen 3.269 N/A LYS 118.A N LYS 115.A O no hydrogen 2.665 N/A CYS 119.A N LYS 115.A O no hydrogen 3.093 N/A CYS 119.A SG SER 75.A O no hydrogen 3.455 N/A LEU 122.A N CYS 119.A O no hydrogen 3.162 N/A VAL 123.A N HIS 120.A O no hydrogen 3.000 N/A LYS 125.A N LEU 122.A O no hydrogen 3.000 N/A LYS 125.A NZ HIS 79.A O no hydrogen 2.976 N/A LYS 125.A NZ ALA 80.A O no hydrogen 2.994 N/A LYS 125.A NZ ALA 82.A O no hydrogen 2.622 N/A LYS 125.A NZ SER 121.A O no hydrogen 3.361 N/A LYS 127.A N ASP 157.A O no hydrogen 2.806 N/A LYS 127.A NZ LEU 122.A O no hydrogen 2.842 N/A LYS 127.A NZ LYS 125.A O no hydrogen 2.841 N/A ILE 128.A N PHE 85.A O no hydrogen 2.826 N/A PHE 129.A N LEU 159.A O no hydrogen 2.893 N/A ILE 130.A N CYS 87.A O no hydrogen 3.034 N/A ILE 131.A N CYS 161.A O no hydrogen 2.841 N/A GLN 132.A N PHE 89.A O no hydrogen 3.043 N/A GLN 132.A NE2 SER 170.A OG no hydrogen 2.854 N/A ARG 135.A N ALA 146.A O no hydrogen 3.126 N/A ASN 140.A ND2 GLU 173.A OE1 no hydrogen 3.021 N/A ILE 141.A N THR 174.A OG1 no hydrogen 3.238 N/A GLU 143.A N ARG 172.A O no hydrogen 2.812 N/A ASP 145.A N SER 170.A O no hydrogen 2.734 N/A ALA 147.A N TYR 168.A O no hydrogen 3.121 N/A SER 148.A OG GLY 93.A O no hydrogen 2.613 N/A TYR 150.A N GLY 95.A O no hydrogen 2.864 N/A ASP 157.A N MET 233.A O no hydrogen 3.011 N/A PHE 158.A N GLY 155.A O no hydrogen 3.159 N/A LEU 159.A N LYS 127.A O no hydrogen 2.911 N/A MET 160.A N ALA 231.A O no hydrogen 2.987 N/A CYS 161.A N PHE 129.A O no hydrogen 2.759 N/A CYS 161.A SG PHE 129.A O no hydrogen 3.445 N/A TYR 162.A N CYS 229.A O no hydrogen 2.823 N/A TYR 162.A OH LEU 152.A O no hydrogen 2.773 N/A SER 163.A N ILE 131.A O no hydrogen 3.142 N/A ALA 165.A N VAL 227.A O no hydrogen 3.051 N/A TYR 168.A N ALA 165.A O no hydrogen 3.143 N/A TYR 169.A N LYS 225.A O no hydrogen 2.863 N/A SER 170.A N ASP 145.A O no hydrogen 2.799 N/A HIS 171.A N GLN 226.A OE1 no hydrogen 2.839 N/A HIS 171.A ND1 GLN 226.A OE1 no hydrogen 2.805 N/A ARG 172.A N GLU 143.A O no hydrogen 2.909 N/A ARG 172.A NE ARG 36.A O no hydrogen 3.184 N/A ARG 172.A NH1 ASP 145.A OD2 no hydrogen 3.543 N/A GLU 173.A N GLY 177.A O no hydrogen 3.005 N/A THR 174.A N ILE 141.A O no hydrogen 2.976 N/A THR 174.A OG1 THR 139.A O no hydrogen 2.941 N/A VAL 175.A N ASN 140.A OD1 no hydrogen 2.906 N/A ASN 176.A N ASN 140.A OD1 no hydrogen 3.401 N/A GLY 177.A N GLU 173.A O no hydrogen 2.878 N/A SER 178.A N ASP 41.A OD1 no hydrogen 2.865 N/A SER 178.A N ASP 41.A OD2 no hydrogen 3.365 N/A SER 178.A OG ASP 41.A OD2 no hydrogen 2.532 N/A TRP 179.A N HIS 171.A O no hydrogen 3.377 N/A GLN 182.A N SER 178.A O no hydrogen 2.845 N/A ASP 183.A N TRP 179.A O no hydrogen 3.015 N/A LEU 184.A N TYR 180.A O no hydrogen 2.910 N/A CYS 185.A N ILE 181.A O no hydrogen 2.777 N/A CYS 185.A SG ILE 181.A O no hydrogen 3.214 N/A GLU 186.A N GLN 182.A O no hydrogen 2.821 N/A MET 187.A N ASP 183.A O no hydrogen 3.054 N/A LEU 188.A N LEU 184.A O no hydrogen 2.911 N/A GLY 189.A N CYS 185.A O no hydrogen 3.003 N/A LYS 190.A N GLU 186.A O no hydrogen 3.079 N/A LYS 190.A NZ GLU 186.A OE2 no hydrogen 3.006 N/A TYR 191.A N MET 187.A O no hydrogen 2.926 N/A GLY 192.A N LEU 188.A O no hydrogen 2.889 N/A SER 194.A N TYR 191.A O no hydrogen 3.139 N/A SER 194.A OG TYR 191.A O no hydrogen 3.310 N/A LEU 195.A N TYR 191.A O no hydrogen 2.954 N/A PHE 197.A N LEU 238.A O no hydrogen 2.807 N/A THR 198.A N GLU 196.A OE1 no hydrogen 2.767 N/A THR 198.A OG1 GLU 196.A OE1 no hydrogen 2.414 N/A GLU 199.A N GLU 196.A OE1 no hydrogen 3.288 N/A LEU 200.A N GLU 196.A O no hydrogen 3.076 N/A LEU 201.A N PHE 197.A O no hydrogen 2.868 N/A THR 202.A N THR 198.A O no hydrogen 3.038 N/A THR 202.A OG1 THR 198.A O no hydrogen 2.755 N/A LEU 203.A N GLU 199.A O no hydrogen 3.195 N/A VAL 204.A N LEU 200.A O no hydrogen 3.123 N/A ASN 205.A N LEU 201.A O no hydrogen 2.895 N/A ARG 206.A N THR 202.A O no hydrogen 3.063 N/A LYS 207.A N LEU 203.A O no hydrogen 2.843 N/A LYS 207.A NZ GLU 186.A OE1 no hydrogen 3.235 N/A LYS 207.A NZ GLU 186.A OE2 no hydrogen 2.794 N/A VAL 208.A N VAL 204.A O no hydrogen 3.015 N/A SER 209.A N ASN 205.A O no hydrogen 3.126 N/A SER 209.A OG ASN 205.A O no hydrogen 3.079 N/A SER 209.A OG ARG 206.A O no hydrogen 3.082 N/A GLN 210.A N ARG 206.A O no hydrogen 3.042 N/A ARG 211.A N VAL 208.A O no hydrogen 3.274 N/A ARG 211.A NE ASP 183.A OD2 no hydrogen 2.901 N/A ARG 211.A NH2 ASP 183.A OD1 no hydrogen 3.107 N/A CYS 216.A SG ALA 221.A O no hydrogen 3.966 N/A SER 220.A N ASP 218.A OD1 no hydrogen 2.857 N/A SER 220.A OG ASP 218.A OD1 no hydrogen 2.854 N/A SER 220.A OG ASP 218.A OD2 no hydrogen 3.107 N/A ILE 222.A N PRO 219.A O no hydrogen 3.225 N/A GLY 223.A N VAL 213.A O no hydrogen 2.854 N/A LYS 224.A NZ SER 220.A O no hydrogen 3.493 N/A GLN 226.A NE2 SER 163.A O no hydrogen 2.953 N/A CYS 229.A N TYR 162.A O no hydrogen 3.071 N/A ALA 231.A N MET 160.A O no hydrogen 2.789 N/A MET 233.A N PHE 158.A O no hydrogen 2.930 N/A LEU 234.A N SER 232.A OG no hydrogen 3.284 N/A THR 235.A N TYR 8.A OH no hydrogen 2.888 N/A THR 235.A OG1 TYR 8.A OH no hydrogen 3.270 N/A THR 235.A OG1 ASP 157.A OD1 no hydrogen 3.037 N/A LYS 236.A NZ GLU 6.A OE2 no hydrogen 3.007 N/A LYS 237.A N GLU 6.A O no hydrogen 3.184 N/A LEU 238.A N GLU 196.A OE2 no hydrogen 2.871 N/A LYS 243.A NZ HIS 12.A O no hydrogen 2.970 N/A LYS 243.A NZ ASP 83.A OD1 no hydrogen 3.427 N/A LYS 243.A NZ ASP 83.A OD2 no hydrogen 2.670 N/A