Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8bju_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG GLU 76.A OE1 no hydrogen 2.621 N/A ARG 2.A NE GLU 6.A OE1 no hydrogen 3.072 N/A TYR 3.A N GLU 76.A OE2 no hydrogen 2.813 N/A TYR 3.A OH GLU 9.A OE2 no hydrogen 2.626 N/A THR 4.A N SER 1.A OG no hydrogen 3.256 N/A THR 4.A OG1 SER 1.A O no hydrogen 3.416 N/A THR 5.A N SER 1.A O no hydrogen 2.876 N/A THR 5.A OG1 SER 1.A O no hydrogen 2.805 N/A GLU 6.A N ARG 2.A O no hydrogen 2.830 N/A PHE 7.A N TYR 3.A O no hydrogen 3.065 N/A HIS 8.A N VAL 25.A O no hydrogen 2.866 N/A LEU 10.A N LYS 23.A O no hydrogen 2.806 N/A LYS 12.A NZ SER 20.A OG no hydrogen 3.421 N/A ILE 13.A N VAL 21.A O no hydrogen 2.808 N/A GLY 14.A N VAL 21.A O no hydrogen 3.203 N/A GLY 16.A N GLY 19.A O no hydrogen 3.084 N/A GLY 19.A N GLY 16.A O no hydrogen 3.179 N/A SER 20.A N ARG 37.A O no hydrogen 3.174 N/A VAL 21.A N GLY 14.A O no hydrogen 2.954 N/A PHE 22.A N ILE 35.A O no hydrogen 2.915 N/A LYS 23.A N GLU 11.A O no hydrogen 2.805 N/A CYS 24.A N TYR 33.A O no hydrogen 2.825 N/A CYS 24.A SG TYR 3.A OH no hydrogen 3.603 N/A CYS 24.A SG PHE 22.A O no hydrogen 3.781 N/A VAL 25.A N HIS 8.A O no hydrogen 2.904 N/A LYS 26.A N CYS 31.A O no hydrogen 2.911 N/A ARG 27.A N GLU 6.A O no hydrogen 2.896 N/A ARG 27.A NE THR 5.A O no hydrogen 3.064 N/A ARG 27.A NH2 THR 4.A O no hydrogen 3.326 N/A ARG 27.A NH2 PHE 7.A O no hydrogen 3.181 N/A GLY 30.A N LYS 26.A O no hydrogen 2.869 N/A CYS 31.A N ASP 29.A OD1 no hydrogen 2.889 N/A CYS 31.A SG ASP 29.A O no hydrogen 3.619 N/A TYR 33.A N CYS 24.A O no hydrogen 2.804 N/A TYR 33.A OH ASP 29.A OD2 no hydrogen 2.662 N/A ALA 34.A N ASN 84.A O no hydrogen 2.837 N/A ILE 35.A N PHE 22.A O no hydrogen 2.967 N/A LYS 36.A N ILE 82.A O no hydrogen 2.993 N/A ARG 37.A N SER 20.A O no hydrogen 2.884 N/A SER 38.A N MET 80.A O no hydrogen 2.991 N/A LYS 40.A N ASP 78.A O no hydrogen 2.895 N/A GLY 44.A N GLU 48.A OE2 no hydrogen 2.878 N/A SER 45.A N LEU 42.A O no hydrogen 3.072 N/A SER 45.A OG LEU 42.A O no hydrogen 2.647 N/A GLU 48.A N SER 45.A OG no hydrogen 3.054 N/A GLN 49.A N SER 45.A O no hydrogen 3.208 N/A ASN 50.A N VAL 46.A O no hydrogen 2.815 N/A ALA 51.A N ASP 47.A O no hydrogen 2.984 N/A LEU 52.A N GLU 48.A O no hydrogen 3.032 N/A ARG 53.A N GLN 49.A O no hydrogen 2.985 N/A ARG 53.A NE GLY 154.A O no hydrogen 2.875 N/A ARG 53.A NH1 GLU 165.A OE2 no hydrogen 3.552 N/A ARG 53.A NH2 ASN 50.A OD1 no hydrogen 2.738 N/A ARG 53.A NH2 GLU 165.A OE2 no hydrogen 2.757 N/A GLU 54.A N ASN 50.A O no hydrogen 2.904 N/A VAL 55.A N ALA 51.A O no hydrogen 2.987 N/A TYR 56.A N LEU 52.A O no hydrogen 3.128 N/A ALA 57.A N ARG 53.A O no hydrogen 2.993 N/A HIS 58.A N GLU 54.A O no hydrogen 2.915 N/A ALA 59.A N VAL 55.A O no hydrogen 3.025 N/A ALA 59.A N TYR 56.A O no hydrogen 3.065 N/A VAL 60.A N TYR 56.A O no hydrogen 2.977 N/A VAL 60.A N ALA 57.A O no hydrogen 3.188 N/A LEU 61.A N ALA 57.A O no hydrogen 2.918 N/A GLY 62.A N TYR 124.A OH no hydrogen 2.749 N/A HIS 66.A N HIS 64.A ND1 no hydrogen 3.109 N/A HIS 66.A ND1 PHE 148.A O no hydrogen 2.816 N/A VAL 67.A N HIS 64.A O no hydrogen 3.149 N/A VAL 68.A N ILE 150.A O no hydrogen 2.885 N/A ARG 69.A N GLU 85.A OE1 no hydrogen 2.922 N/A PHE 71.A N GLN 83.A O no hydrogen 2.831 N/A SER 72.A N GLN 83.A O no hydrogen 3.280 N/A TRP 74.A N LEU 81.A O no hydrogen 3.025 N/A TRP 74.A NE1 GLU 76.A OE2 no hydrogen 2.684 N/A GLU 76.A N HIS 79.A O no hydrogen 2.843 N/A HIS 79.A N GLU 76.A O no hydrogen 3.053 N/A HIS 79.A ND1 ASP 77.A O no hydrogen 3.043 N/A MET 80.A N SER 38.A O no hydrogen 2.860 N/A LEU 81.A N TRP 74.A O no hydrogen 2.833 N/A ILE 82.A N LYS 36.A O no hydrogen 2.968 N/A GLN 83.A N SER 72.A O no hydrogen 2.781 N/A ASN 84.A N ALA 34.A O no hydrogen 2.868 N/A GLU 85.A N ARG 69.A O no hydrogen 2.850 N/A CYS 87.A SG SER 143.A OG no hydrogen 3.468 N/A ASN 88.A ND2 ARG 144.A O no hydrogen 2.977 N/A GLY 89.A N ILE 142.A O no hydrogen 2.739 N/A GLY 90.A N CYS 87.A O no hydrogen 3.278 N/A LEU 92.A N ILE 140.A O no hydrogen 2.751 N/A ALA 93.A N PRO 137.A O no hydrogen 3.196 N/A ASP 94.A N SER 91.A OG no hydrogen 3.115 N/A ALA 95.A N SER 91.A O no hydrogen 2.994 N/A ILE 96.A N LEU 92.A O no hydrogen 2.855 N/A SER 97.A N ALA 93.A O no hydrogen 3.001 N/A SER 97.A OG ALA 93.A O no hydrogen 3.398 N/A GLU 98.A N ASP 94.A O no hydrogen 2.906 N/A ASN 99.A N ALA 95.A O no hydrogen 2.971 N/A TYR 100.A N ILE 96.A O no hydrogen 2.912 N/A ARG 101.A N SER 97.A O no hydrogen 3.098 N/A ARG 101.A NE GLU 98.A OE1 no hydrogen 2.966 N/A ARG 101.A NE GLU 98.A OE2 no hydrogen 2.964 N/A ARG 101.A NH2 GLU 98.A OE2 no hydrogen 2.697 N/A ILE 102.A N GLU 98.A O no hydrogen 3.194 N/A MET 103.A N TYR 100.A O no hydrogen 3.106 N/A SER 104.A N ASN 99.A O no hydrogen 2.673 N/A SER 104.A OG TYR 105.A O no hydrogen 3.540 N/A TYR 105.A N SER 104.A OG no hydrogen 2.810 N/A PHE 106.A N ALA 199.A O no hydrogen 3.255 N/A LYS 107.A N GLU 110.A OE1 no hydrogen 2.880 N/A LEU 111.A N LYS 107.A O no hydrogen 2.968 N/A LYS 112.A N GLU 108.A O no hydrogen 2.961 N/A LYS 112.A NZ GLU 108.A OE2 no hydrogen 3.227 N/A ASP 113.A N ALA 109.A O no hydrogen 3.188 N/A LEU 114.A N GLU 110.A O no hydrogen 2.930 N/A LEU 115.A N LEU 111.A O no hydrogen 2.912 N/A LEU 116.A N LYS 112.A O no hydrogen 2.898 N/A GLN 117.A N ASP 113.A O no hydrogen 2.950 N/A GLN 117.A NE2 ASP 113.A OD1 no hydrogen 2.947 N/A GLN 117.A NE2 VAL 146.A O.A no hydrogen 2.944 N/A GLN 117.A NE2 VAL 146.A O.B no hydrogen 2.928 N/A VAL 118.A N LEU 114.A O no hydrogen 3.012 N/A GLY 119.A N LEU 115.A O no hydrogen 2.906 N/A ARG 120.A N LEU 116.A O no hydrogen 2.874 N/A GLY 121.A N GLN 117.A O no hydrogen 3.127 N/A LEU 122.A N VAL 118.A O no hydrogen 2.864 N/A ARG 123.A N GLY 119.A O no hydrogen 2.807 N/A TYR 124.A N ARG 120.A O no hydrogen 3.176 N/A ILE 125.A N GLY 121.A O no hydrogen 2.952 N/A HIS 126.A N LEU 122.A O no hydrogen 2.843 N/A HIS 126.A NE2 ASP 188.A OD2 no hydrogen 2.742 N/A SER 127.A N ARG 123.A O no hydrogen 2.868 N/A SER 127.A OG TYR 124.A O no hydrogen 2.659 N/A MET 128.A N TYR 124.A O no hydrogen 3.094 N/A MET 128.A N ILE 125.A O no hydrogen 3.011 N/A SER 129.A N HIS 126.A O no hydrogen 2.960 N/A LEU 130.A N ILE 125.A O no hydrogen 3.301 N/A VAL 131.A N THR 157.A O no hydrogen 2.942 N/A HIS 132.A N ASP 188.A OD2 no hydrogen 2.853 N/A HIS 132.A NE2 GLY 151.A O no hydrogen 2.926 N/A MET 133.A N ASP 188.A OD1 no hydrogen 2.829 N/A ASP 134.A N HIS 132.A ND1 no hydrogen 3.042 N/A LYS 136.A NZ ASP 134.A OD1 no hydrogen 3.054 N/A LYS 136.A NZ ASP 134.A OD2 no hydrogen 3.495 N/A ASN 139.A N LYS 136.A O no hydrogen 2.921 N/A ASN 139.A ND2 ASP 134.A O no hydrogen 2.796 N/A ASN 139.A ND2 ASP 134.A OD2 no hydrogen 3.056 N/A ILE 140.A N PRO 137.A O no hydrogen 3.243 N/A PHE 141.A N LYS 149.A O no hydrogen 2.812 N/A ILE 142.A N GLY 90.A O no hydrogen 2.849 N/A SER 143.A N MET 147.A O no hydrogen 2.839 N/A ARG 144.A N ASN 88.A OD1 no hydrogen 2.815 N/A MET 147.A N SER 143.A O no hydrogen 2.824 N/A PHE 148.A N GLN 117.A OE1 no hydrogen 2.763 N/A LYS 149.A N PHE 141.A O no hydrogen 2.905 N/A LYS 149.A NZ SER 65.A O no hydrogen 3.335 N/A LYS 149.A NZ GLU 85.A OE2 no hydrogen 3.042 N/A ILE 150.A N HIS 66.A O no hydrogen 2.890 N/A GLY 151.A N ASN 139.A O no hydrogen 2.859 N/A GLY 154.A N ASP 152.A OD1 no hydrogen 3.244 N/A HIS 155.A NE2 GLU 166.A O no hydrogen 3.136 N/A VAL 156.A N LEU 153.A O no hydrogen 2.968 N/A THR 157.A N VAL 131.A O no hydrogen 3.053 N/A THR 157.A OG1 GLN 163.A O no hydrogen 3.307 N/A ILE 159.A N SER 129.A O no hydrogen 2.994 N/A SER 161.A N ARG 158.A O no hydrogen 3.198 N/A GLN 163.A N THR 157.A OG1 no hydrogen 2.895 N/A ARG 170.A N ASP 168.A OD1 no hydrogen 3.077 N/A ARG 170.A NE ASP 168.A OD1 no hydrogen 2.905 N/A ARG 170.A NE ASP 168.A OD2 no hydrogen 3.401 N/A ARG 170.A NH2 ASP 168.A OD2 no hydrogen 2.681 N/A PHE 171.A N ASP 168.A O no hydrogen 2.965 N/A GLU 175.A N GLU 175.A OE2 no hydrogen 2.812 N/A VAL 176.A N ALA 173.A O no hydrogen 3.067 N/A LEU 177.A N ALA 173.A O no hydrogen 3.321 N/A GLN 178.A N ASN 174.A O no hydrogen 2.934 N/A GLU 179.A N VAL 176.A O no hydrogen 2.905 N/A ASN 180.A N GLU 175.A O no hydrogen 2.948 N/A THR 182.A N ASN 180.A OD1 no hydrogen 3.107 N/A THR 182.A OG1 ASN 180.A OD1 no hydrogen 2.739 N/A THR 182.A OG1 HIS 183.A ND1 no hydrogen 3.121 N/A HIS 183.A NE2 GLU 244.A OE1 no hydrogen 3.125 N/A LYS 186.A N HIS 183.A O no hydrogen 2.943 N/A LYS 186.A NZ PRO 243.A O no hydrogen 3.159 N/A LYS 186.A NZ ARG 246.A O no hydrogen 2.835 N/A ALA 187.A N LEU 184.A O no hydrogen 2.807 N/A ASP 188.A N LEU 184.A O no hydrogen 3.366 N/A ILE 189.A N PRO 185.A O no hydrogen 3.153 N/A PHE 190.A N LYS 186.A O no hydrogen 3.043 N/A ALA 191.A N ALA 187.A O no hydrogen 2.935 N/A LEU 192.A N ASP 188.A O no hydrogen 2.865 N/A ALA 193.A N ILE 189.A O no hydrogen 3.009 N/A LEU 194.A N PHE 190.A O no hydrogen 3.186 N/A THR 195.A N ALA 191.A O no hydrogen 2.893 N/A THR 195.A OG1 ALA 191.A O no hydrogen 2.841 N/A VAL 196.A N LEU 192.A O no hydrogen 2.938 N/A VAL 197.A N ALA 193.A O no hydrogen 2.876 N/A CYS 198.A N LEU 194.A O no hydrogen 2.969 N/A CYS 198.A SG LEU 194.A O no hydrogen 3.249 N/A ALA 199.A N THR 195.A O no hydrogen 2.984 N/A ALA 200.A N VAL 196.A O no hydrogen 2.843 N/A GLY 201.A N CYS 198.A O no hydrogen 3.091 N/A ALA 202.A N VAL 197.A O no hydrogen 3.306 N/A TRP 212.A NE1 SER 169.A O no hydrogen 2.767 N/A HIS 213.A ND1 GLY 209.A O no hydrogen 2.783 N/A GLU 214.A N ASP 210.A O no hydrogen 2.895 N/A ILE 215.A N GLN 211.A O no hydrogen 3.252 N/A ARG 216.A N TRP 212.A O no hydrogen 3.167 N/A ARG 216.A NE LEU 172.A O no hydrogen 2.872 N/A ARG 216.A NH1 TRP 212.A O no hydrogen 3.428 N/A ARG 216.A NH2 ARG 170.A O no hydrogen 2.971 N/A ARG 216.A NH2 LEU 172.A O no hydrogen 2.912 N/A GLN 217.A N HIS 213.A O no hydrogen 2.908 N/A GLN 217.A N GLU 214.A O no hydrogen 3.112 N/A GLY 218.A N ILE 215.A O no hydrogen 2.887 N/A ARG 219.A N GLU 214.A O no hydrogen 3.421 N/A ARG 219.A NH1 GLU 214.A OE1 no hydrogen 2.927 N/A GLN 225.A N ILE 223.A O no hydrogen 2.893 N/A GLN 225.A NE2 PHE 106.A O no hydrogen 2.913 N/A GLN 225.A NE2 ALA 200.A O no hydrogen 2.984 N/A SER 228.A N GLU 108.A OE1 no hydrogen 2.785 N/A SER 228.A OG GLU 108.A OE2 no hydrogen 2.593 N/A GLU 230.A N GLU 230.A OE1 no hydrogen 2.951 N/A PHE 231.A N SER 228.A OG no hydrogen 3.210 N/A THR 232.A N SER 228.A O no hydrogen 3.014 N/A THR 232.A OG1 SER 228.A O no hydrogen 2.879 N/A GLU 233.A N GLN 229.A O no hydrogen 3.005 N/A LEU 234.A N GLU 230.A O no hydrogen 3.314 N/A LEU 235.A N PHE 231.A O no hydrogen 3.096 N/A LYS 236.A N THR 232.A O no hydrogen 2.897 N/A VAL 237.A N GLU 233.A O no hydrogen 2.940 N/A MET 238.A N LEU 234.A O no hydrogen 3.083 N/A ILE 239.A N LYS 236.A O no hydrogen 3.187 N/A HIS 240.A N VAL 237.A O no hydrogen 3.264 N/A ASP 242.A N HIS 240.A ND1 no hydrogen 3.005 N/A GLU 244.A N ASP 242.A OD1 no hydrogen 3.216 N/A ARG 245.A N ASP 242.A O no hydrogen 2.883 N/A ARG 246.A N PRO 243.A O no hydrogen 2.975 N/A ARG 246.A NE HIS 240.A O no hydrogen 2.877 N/A ARG 246.A NH1 GLU 175.A OE1 no hydrogen 2.721 N/A ARG 246.A NH1 LYS 186.A O no hydrogen 3.045 N/A ARG 246.A NH2 GLU 175.A OE2 no hydrogen 2.977 N/A ARG 246.A NH2 HIS 240.A O no hydrogen 2.969 N/A ALA 251.A N SER 248.A OG no hydrogen 2.977 N/A LEU 252.A N SER 248.A O no hydrogen 2.885 N/A VAL 253.A N ALA 249.A O no hydrogen 2.992 N/A LYS 254.A N ALA 251.A O no hydrogen 3.228 N/A HIS 255.A N LEU 252.A O no hydrogen 3.213 N/A VAL 257.A N.A HIS 255.A ND1 no hydrogen 3.434 N/A VAL 257.A N.B HIS 255.A ND1 no hydrogen 3.435 N/A LEU 258.A N HIS 255.A O no hydrogen 3.017 N/A LEU 259.A N HIS 255.A O no hydrogen 2.948 N/A SER 260.A N SER 256.A O no hydrogen 2.823 N/A SER 260.A OG SER 256.A O no hydrogen 2.446 N/A SER 260.A OG VAL 257.A O.A no hydrogen 3.245 N/A