Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4u28_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 4.A N GLU 209.A O no hydrogen 2.984 N/A LEU 6.A N SER 211.A O no hydrogen 2.852 N/A ALA 8.A N VAL 213.A O no hydrogen 2.938 N/A VAL 9.A N HIS 49.A O no hydrogen 2.824 N/A VAL 11.A N VAL 51.A O no hydrogen 2.784 N/A ARG 12.A N GLN 15.A O no hydrogen 2.918 N/A ARG 12.A NE ASP 54.A OD1 no hydrogen 2.881 N/A ARG 12.A NH1 SER 24.A OG no hydrogen 2.882 N/A ARG 12.A NH1 GLU 27.A OE2 no hydrogen 2.765 N/A ARG 12.A NH2 THR 59.A OG1 no hydrogen 2.911 N/A ASP 13.A N ASP 54.A OD2 no hydrogen 2.717 N/A GLY 14.A N ASN 62.A OD1 no hydrogen 3.030 N/A GLN 15.A N ARG 12.A O no hydrogen 2.968 N/A ALA 16.A N GLY 31.A O no hydrogen 2.748 N/A VAL 17.A N ASP 10.A O no hydrogen 2.842 N/A ARG 18.A N THR 28.A O.A no hydrogen 2.896 N/A ARG 18.A N THR 28.A O.B no hydrogen 2.906 N/A ARG 18.A NH1 ASP 10.A OD1 no hydrogen 2.987 N/A VAL 20.A N THR 26.A OG1 no hydrogen 2.862 N/A HIS 21.A N ASP 163.A O no hydrogen 2.861 N/A HIS 21.A ND1 ILE 160.A O no hydrogen 2.769 N/A GLU 23.A N.A VAL 20.A O no hydrogen 3.066 N/A GLU 23.A N.B VAL 20.A O no hydrogen 3.075 N/A GLY 25.A N GLU 27.A OE2 no hydrogen 3.484 N/A THR 26.A N GLU 23.A O.A no hydrogen 3.159 N/A THR 26.A N GLU 23.A O.B no hydrogen 3.150 N/A THR 26.A OG1 VAL 20.A O no hydrogen 3.489 N/A THR 26.A OG1 GLU 23.A O.A no hydrogen 2.675 N/A THR 26.A OG1 GLU 23.A O.B no hydrogen 2.671 N/A GLU 27.A N GLU 27.A OE1 no hydrogen 2.829 N/A THR 28.A N.A ARG 18.A O no hydrogen 2.871 N/A THR 28.A N.B ARG 18.A O no hydrogen 2.873 N/A THR 28.A OG1.B ARG 18.A O no hydrogen 3.268 N/A TYR 30.A N ALA 16.A O no hydrogen 2.754 N/A GLU 35.A N SER 32.A OG no hydrogen 3.092 N/A ALA 36.A N SER 32.A O no hydrogen 3.094 N/A ALA 37.A N PRO 33.A O no hydrogen 2.960 N/A LEU 38.A N LEU 34.A O.A no hydrogen 2.926 N/A LEU 38.A N LEU 34.A O.B no hydrogen 2.869 N/A SER 39.A N GLU 35.A O no hydrogen 2.901 N/A SER 39.A OG GLU 35.A O no hydrogen 2.882 N/A TRP 40.A N ALA 36.A O no hydrogen 3.001 N/A TRP 40.A NE1 ALA 8.A O no hydrogen 3.288 N/A GLN 41.A N ALA 37.A O no hydrogen 3.002 N/A ARG 42.A N.A LEU 38.A O no hydrogen 2.874 N/A ARG 42.A N.B LEU 38.A O no hydrogen 2.887 N/A ARG 42.A NH2.A SER 39.A OG no hydrogen 3.365 N/A ALA 43.A N SER 39.A O no hydrogen 3.093 N/A GLY 44.A N GLN 41.A O no hydrogen 3.057 N/A ALA 45.A N TRP 40.A O no hydrogen 3.048 N/A LEU 48.A N LYS 75.A O.A no hydrogen 2.847 N/A LEU 48.A N LYS 75.A O.B no hydrogen 2.840 N/A HIS 49.A N PRO 7.A O no hydrogen 2.934 N/A HIS 49.A ND1 GLU 77.A OE1 no hydrogen 2.613 N/A LEU 50.A N GLU 77.A O no hydrogen 2.789 N/A VAL 51.A N VAL 9.A O no hydrogen 2.876 N/A ASP 52.A N SER 79.A O no hydrogen 2.896 N/A LEU 53.A N VAL 11.A O no hydrogen 2.871 N/A ALA 55.A N ASP 52.A OD1 no hydrogen 3.051 N/A ALA 56.A N ASP 52.A O no hydrogen 2.996 N/A PHE 57.A N LEU 53.A O no hydrogen 2.891 N/A GLY 58.A N ALA 55.A O no hydrogen 3.318 N/A THR 59.A N ASP 54.A O no hydrogen 2.950 N/A THR 59.A OG1 ASP 54.A OD1 no hydrogen 2.842 N/A ASN 62.A N ASP 52.A OD2 no hydrogen 2.767 N/A ASN 62.A ND2 ASP 52.A OD1 no hydrogen 2.896 N/A ASN 62.A ND2 ASP 54.A OD2 no hydrogen 2.841 N/A ARG 63.A N ASP 61.A OD1 no hydrogen 3.011 N/A VAL 66.A N.A ASN 62.A O no hydrogen 2.879 N/A VAL 66.A N.B ASN 62.A O no hydrogen 2.822 N/A ARG 67.A N ARG 63.A O no hydrogen 2.975 N/A ARG 67.A NH1 GLU 71.A OE1 no hydrogen 2.830 N/A GLN 68.A N GLU 64.A O no hydrogen 2.879 N/A VAL 69.A N LEU 65.A O no hydrogen 2.848 N/A THR 70.A N VAL 66.A O.A no hydrogen 3.000 N/A THR 70.A N VAL 66.A O.B no hydrogen 2.958 N/A THR 70.A OG1 VAL 66.A O.A no hydrogen 2.734 N/A THR 70.A OG1 VAL 66.A O.B no hydrogen 2.918 N/A GLU 71.A N ARG 67.A O no hydrogen 2.833 N/A ALA 72.A N GLN 68.A O no hydrogen 3.036 N/A ASP 73.A N GLN 41.A OE1 no hydrogen 2.769 N/A ILE 74.A N GLN 41.A OE1 no hydrogen 3.279 N/A LYS 75.A N.A GLU 46.A O.A no hydrogen 3.218 N/A LYS 75.A N.A GLU 46.A O.B no hydrogen 3.196 N/A LYS 75.A N.B GLU 46.A O.A no hydrogen 3.212 N/A LYS 75.A N.B GLU 46.A O.B no hydrogen 3.190 N/A LYS 75.A NZ.A GLU 46.A OE2.A no hydrogen 2.999 N/A VAL 76.A N THR 97.A OG1 no hydrogen 3.080 N/A GLU 77.A N LEU 48.A O no hydrogen 2.825 N/A LEU 78.A N ARG 98.A O no hydrogen 2.960 N/A SER 79.A N LEU 50.A O no hydrogen 2.905 N/A ARG 83.A N SER 87.A OG no hydrogen 2.926 N/A ASP 84.A N SER 87.A OG no hydrogen 3.083 N/A SER 87.A N ASP 84.A OD1 no hydrogen 2.926 N/A SER 87.A OG GLY 81.A O no hydrogen 3.426 N/A SER 87.A OG ASP 84.A O no hydrogen 3.239 N/A SER 87.A OG ASP 84.A OD1 no hydrogen 2.686 N/A LEU 88.A N ASP 84.A O no hydrogen 2.922 N/A ALA 89.A N ASP 85.A O no hydrogen 2.848 N/A ALA 90.A N ALA 86.A O no hydrogen 2.899 N/A ALA 91.A N SER 87.A O no hydrogen 3.060 N/A LEU 92.A N LEU 88.A O no hydrogen 2.880 N/A ALA 93.A N ALA 89.A O no hydrogen 2.927 N/A THR 94.A N ALA 91.A O no hydrogen 3.120 N/A THR 94.A OG1 ALA 91.A O no hydrogen 2.695 N/A GLY 95.A N LEU 92.A O no hydrogen 3.024 N/A CYS 96.A N THR 94.A OG1 no hydrogen 3.140 N/A CYS 96.A SG ALA 91.A O no hydrogen 3.454 N/A CYS 96.A SG ARG 98.A O no hydrogen 3.565 N/A THR 97.A N VAL 76.A O no hydrogen 2.828 N/A ARG 98.A N VAL 76.A O no hydrogen 3.255 N/A ARG 98.A NE GLU 77.A OE2 no hydrogen 2.801 N/A ARG 98.A NH2 GLU 77.A OE2 no hydrogen 3.095 N/A VAL 99.A N ARG 122.A O.A no hydrogen 2.813 N/A VAL 99.A N ARG 122.A O.B no hydrogen 2.828 N/A ASN 100.A N LEU 78.A O no hydrogen 2.886 N/A LEU 101.A N ALA 124.A O no hydrogen 2.942 N/A ALA 105.A N.B GLY 102.A O.A no hydrogen 2.884 N/A ALA 105.A N.B GLY 102.A O.B no hydrogen 2.951 N/A LEU 106.A N.A GLY 102.A O.A no hydrogen 2.935 N/A LEU 106.A N.A GLY 102.A O.B no hydrogen 3.253 N/A LEU 106.A N.B THR 103.A O.B no hydrogen 2.868 N/A GLU 107.A N.A THR 103.A O.B no hydrogen 2.376 N/A GLU 107.A N.A ALA 104.A O.A no hydrogen 3.228 N/A GLU 107.A N.B THR 103.A O.B no hydrogen 2.818 N/A SER 108.A N ALA 104.A O.B no hydrogen 2.817 N/A SER 108.A N ALA 105.A O.A no hydrogen 2.851 N/A TRP 111.A NE1 ASP 85.A OD1 no hydrogen 2.842 N/A VAL 112.A N SER 108.A O no hydrogen 3.072 N/A ALA 113.A N PRO 109.A O no hydrogen 2.960 N/A LYS 114.A N GLU 110.A O no hydrogen 3.156 N/A VAL 115.A N TRP 111.A O no hydrogen 2.895 N/A ILE 116.A N VAL 112.A O no hydrogen 2.910 N/A ALA 117.A N ALA 113.A O no hydrogen 3.017 N/A GLU 118.A N.A LYS 114.A O no hydrogen 2.932 N/A GLU 118.A N.B LYS 114.A O no hydrogen 2.929 N/A HIS 119.A N VAL 115.A O no hydrogen 2.860 N/A GLY 120.A N ILE 116.A O no hydrogen 2.914 N/A ARG 122.A N.A HIS 119.A O no hydrogen 3.146 N/A ARG 122.A N.B HIS 119.A O no hydrogen 3.168 N/A ARG 122.A NE.B CYS 96.A O no hydrogen 3.276 N/A ARG 122.A NH1.B LEU 92.A O no hydrogen 2.930 N/A ARG 122.A NH1.B CYS 96.A O no hydrogen 2.839 N/A ARG 122.A NH2.A THR 97.A O no hydrogen 3.214 N/A ILE 123.A N GLY 120.A O no hydrogen 2.979 N/A ALA 124.A N VAL 99.A O no hydrogen 2.953 N/A VAL 125.A N ARG 154.A O no hydrogen 3.028 N/A GLY 126.A N LEU 101.A O no hydrogen 2.785 N/A LEU 127.A N VAL 156.A O no hydrogen 2.767 N/A VAL 129.A N THR 158.A O no hydrogen 2.896 N/A ARG 130.A N THR 133.A O no hydrogen 3.000 N/A THR 133.A N ARG 130.A O no hydrogen 2.954 N/A LEU 134.A N GLY 138.A O no hydrogen 2.806 N/A LYS 135.A N ASP 128.A O no hydrogen 2.886 N/A LEU 140.A N THR 132.A O no hydrogen 2.893 N/A GLU 142.A N ASP 139.A OD2 no hydrogen 2.850 N/A ALA 143.A N ASP 139.A O no hydrogen 3.095 N/A LEU 144.A N LEU 140.A O no hydrogen 2.960 N/A GLU 145.A N TYR 141.A O no hydrogen 3.024 N/A ARG 146.A N GLU 142.A O no hydrogen 3.054 N/A ARG 146.A NE GLU 150.A OE2 no hydrogen 3.180 N/A LEU 147.A N ALA 143.A O no hydrogen 2.863 N/A ASP 148.A N LEU 144.A O no hydrogen 2.880 N/A LYS 149.A N.A GLU 145.A O no hydrogen 3.233 N/A LYS 149.A N.B GLU 145.A O no hydrogen 3.267 N/A LYS 149.A NZ.A GLU 145.A OE2 no hydrogen 3.330 N/A GLU 150.A N ARG 146.A O no hydrogen 3.049 N/A GLY 151.A N ASP 148.A O no hydrogen 3.039 N/A CYS 152.A N LEU 147.A O no hydrogen 2.978 N/A CYS 152.A SG ARG 154.A O no hydrogen 3.375 N/A ARG 154.A NE GLU 209.A OE1 no hydrogen 2.784 N/A ARG 154.A NH2 GLU 209.A OE1 no hydrogen 3.457 N/A ARG 154.A NH2 GLU 209.A OE2 no hydrogen 2.865 N/A TYR 155.A N PRO 184.A O no hydrogen 3.027 N/A TYR 155.A OH ASP 148.A OD1 no hydrogen 2.724 N/A VAL 156.A N VAL 125.A O no hydrogen 2.864 N/A VAL 157.A N VAL 186.A O no hydrogen 2.860 N/A THR 158.A N LEU 127.A O no hydrogen 2.931 N/A ASP 159.A N SER 188.A O no hydrogen 3.426 N/A ILE 160.A N VAL 129.A O no hydrogen 2.859 N/A ALA 161.A N ASP 159.A OD1 no hydrogen 2.880 N/A LYS 162.A N ASP 159.A O no hydrogen 3.001 N/A LYS 162.A NZ ASP 159.A OD2 no hydrogen 2.788 N/A ASP 163.A N ASP 159.A O no hydrogen 3.000 N/A THR 165.A N LYS 162.A O no hydrogen 3.120 N/A THR 165.A OG1 LYS 162.A O no hydrogen 2.664 N/A GLN 167.A N THR 165.A OG1 no hydrogen 3.227 N/A GLY 168.A N GLY 190.A O no hydrogen 2.774 N/A ASN 170.A ND2 ASP 159.A OD2 no hydrogen 2.881 N/A LEU 173.A N ASN 170.A OD1 no hydrogen 2.911 N/A LEU 174.A N ASN 170.A O no hydrogen 3.405 N/A ARG 175.A N LEU 171.A O no hydrogen 3.001 N/A ASN 176.A N GLU 172.A O no hydrogen 2.891 N/A VAL 177.A N LEU 173.A O no hydrogen 2.914 N/A CYS 178.A N LEU 174.A O no hydrogen 2.963 N/A CYS 178.A SG LEU 174.A O no hydrogen 3.375 N/A ALA 179.A N ARG 175.A O no hydrogen 2.983 N/A ALA 180.A N ASN 176.A O no hydrogen 3.203 N/A ALA 180.A N VAL 177.A O no hydrogen 2.939 N/A THR 181.A N VAL 177.A O no hydrogen 3.013 N/A THR 181.A OG1 ASP 148.A OD1 no hydrogen 2.752 N/A THR 181.A OG1 ASP 148.A OD2 no hydrogen 3.314 N/A ARG 183.A N.A THR 181.A OG1 no hydrogen 3.057 N/A ARG 183.A N.B THR 181.A OG1 no hydrogen 3.069 N/A ARG 183.A NE.A CYS 152.A O no hydrogen 3.075 N/A ARG 183.A NH1.B ASP 148.A O no hydrogen 2.958 N/A ARG 183.A NH1.B CYS 152.A O no hydrogen 2.754 N/A ARG 183.A NH2.B ASP 148.A O no hydrogen 2.917 N/A VAL 185.A N GLY 207.A O no hydrogen 3.053 N/A VAL 186.A N TYR 155.A O no hydrogen 2.809 N/A ALA 187.A N GLY 210.A O no hydrogen 2.842 N/A SER 188.A N VAL 157.A O no hydrogen 2.971 N/A SER 188.A OG THR 158.A OG1 no hydrogen 3.270 N/A SER 192.A N ASP 196.A OD2 no hydrogen 2.766 N/A SER 192.A OG ASP 196.A OD2 no hydrogen 2.673 N/A ASP 196.A N SER 193.A OG no hydrogen 2.971 N/A LEU 197.A N SER 193.A O no hydrogen 3.271 N/A ARG 198.A N LEU 194.A O no hydrogen 2.919 N/A ARG 198.A NH1 ASP 195.A OD1 no hydrogen 2.761 N/A ALA 199.A N ASP 195.A O no hydrogen 2.899 N/A ILE 200.A N ASP 196.A O no hydrogen 2.973 N/A ALA 201.A N LEU 197.A O no hydrogen 2.842 N/A GLU 202.A N ARG 198.A O no hydrogen 3.112 N/A LEU 203.A N ILE 200.A O no hydrogen 2.872 N/A VAL 204.A N ALA 201.A O no hydrogen 3.177 N/A LEU 206.A N LEU 203.A O no hydrogen 2.922 N/A GLY 207.A N VAL 204.A O no hydrogen 2.971 N/A VAL 208.A N LEU 203.A O no hydrogen 3.410 N/A GLU 209.A N VAL 185.A O no hydrogen 2.767 N/A SER 211.A N GLU 4.A O no hydrogen 2.856 N/A ILE 212.A N ALA 187.A O no hydrogen 2.812 N/A VAL 213.A N LEU 6.A O no hydrogen 3.111 N/A LYS 215.A NZ GLY 164.A O no hydrogen 2.849 N/A LEU 217.A N GLY 214.A O no hydrogen 3.012 N/A TYR 218.A N GLY 214.A O no hydrogen 3.374 N/A TYR 218.A OH ALA 8.A O no hydrogen 2.652 N/A ALA 219.A N LYS 215.A O no hydrogen 2.796 N/A LYS 220.A N LEU 217.A O no hydrogen 3.119 N/A ALA 221.A N ALA 216.A O no hydrogen 2.901 N/A THR 223.A N GLU 226.A OE1 no hydrogen 2.960 N/A THR 223.A OG1 GLU 225.A OE1 no hydrogen 3.563 N/A GLU 225.A N GLU 225.A OE1 no hydrogen 2.817 N/A GLU 226.A N THR 223.A OG1 no hydrogen 3.025 N/A ALA 227.A N THR 223.A O no hydrogen 2.984 N/A LEU 228.A N LEU 224.A O no hydrogen 2.848 N/A GLU 229.A N.A GLU 225.A O no hydrogen 3.024 N/A GLU 229.A N.B GLU 225.A O no hydrogen 3.038 N/A ALA 230.A N GLU 226.A O no hydrogen 2.926 N/A VAL 231.A N ALA 227.A O no hydrogen 3.218 N/A ALA 232.A N GLU 229.A O.A no hydrogen 3.183 N/A ALA 232.A N GLU 229.A O.B no hydrogen 3.191 N/A