Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pj9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NH1 ARG 179.A O no hydrogen 3.220 N/A ARG 2.A NH1 THR 180.A OG1 no hydrogen 2.861 N/A ARG 2.A NH1 SER 253.A OG no hydrogen 3.217 N/A ARG 2.A NH2 LEU 177.A O no hydrogen 3.059 N/A ARG 2.A NH2 ARG 179.A O no hydrogen 2.714 N/A HIS 4.A N LEU 101.A O no hydrogen 3.013 N/A HIS 4.A ND1 ASP 30.A OD2 no hydrogen 2.643 N/A SER 5.A N ASP 30.A OD1 no hydrogen 2.811 N/A LEU 6.A N CYS 99.A O no hydrogen 2.999 N/A ARG 7.A N.A TYR 28.A O no hydrogen 2.911 N/A ARG 7.A N.B TYR 28.A O no hydrogen 2.949 N/A ARG 7.A NH1.B ASP 30.A O no hydrogen 2.744 N/A ARG 7.A NH2.B ASP 30.A O no hydrogen 2.396 N/A TYR 8.A N ILE 97.A O no hydrogen 2.866 N/A PHE 9.A N VAL 26.A O no hydrogen 2.882 N/A ARG 10.A N ARG 95.A O no hydrogen 2.912 N/A LEU 11.A N ILE 24.A O no hydrogen 2.776 N/A GLY 12.A N TYR 93.A O no hydrogen 2.841 N/A VAL 13.A N GLU 22.A O no hydrogen 2.934 N/A SER 14.A N HIS 91.A O no hydrogen 3.053 N/A SER 14.A OG GLY 89.A O no hydrogen 3.256 N/A SER 14.A OG HIS 91.A O no hydrogen 3.445 N/A VAL 20.A N ILE 17.A O no hydrogen 3.078 N/A PHE 23.A N SER 39.A OG no hydrogen 3.118 N/A ILE 24.A N LEU 11.A O no hydrogen 2.922 N/A SER 25.A N TYR 37.A O no hydrogen 2.834 N/A SER 25.A OG PHE 9.A O no hydrogen 2.820 N/A VAL 26.A N PHE 9.A O no hydrogen 3.127 N/A GLY 27.A N THR 35.A O no hydrogen 3.044 N/A TYR 28.A N ARG 7.A O.A no hydrogen 2.781 N/A TYR 28.A N ARG 7.A O.B no hydrogen 2.804 N/A VAL 29.A N HIS 32.A O no hydrogen 2.943 N/A ASP 30.A N SER 5.A O no hydrogen 2.877 N/A SER 31.A OG TYR 235.A OH no hydrogen 3.111 N/A HIS 32.A N VAL 29.A O no hydrogen 2.879 N/A ILE 34.A N GLY 27.A O no hydrogen 2.803 N/A THR 36.A N GLU 45.A O no hydrogen 2.920 N/A TYR 37.A N SER 25.A O no hydrogen 2.891 N/A TYR 37.A OH GLN 71.A OE1 no hydrogen 2.739 N/A SER 39.A N PHE 23.A O no hydrogen 2.916 N/A SER 39.A OG PHE 23.A O no hydrogen 3.486 N/A VAL 40.A N ASP 38.A OD1 no hydrogen 2.852 N/A THR 41.A N ASP 38.A OD1 no hydrogen 2.877 N/A THR 41.A OG1 ASP 38.A O no hydrogen 3.498 N/A THR 41.A OG1 GLN 43.A O no hydrogen 3.292 N/A ARG 42.A N ASP 38.A O no hydrogen 2.804 N/A GLN 43.A N THR 41.A OG1 no hydrogen 3.265 N/A LYS 44.A N THR 64.A OG1 no hydrogen 2.889 N/A GLU 45.A N THR 36.A O no hydrogen 2.774 N/A ARG 47.A N ILE 34.A O no hydrogen 2.878 N/A MET 51.A N ALA 48.A O no hydrogen 3.051 N/A ALA 52.A N ALA 48.A O no hydrogen 3.353 N/A GLU 53.A N PRO 49.A O no hydrogen 3.029 N/A ASN 54.A N MET 51.A O no hydrogen 3.318 N/A ASN 54.A ND2 TRP 50.A O no hydrogen 2.784 N/A LEU 55.A N MET 51.A O no hydrogen 3.195 N/A HIS 59.A N ALA 56.A O no hydrogen 3.024 N/A TRP 60.A NE1 LEU 55.A O no hydrogen 3.058 N/A GLU 61.A N PRO 57.A O no hydrogen 2.880 N/A ARG 62.A N ASP 58.A O no hydrogen 2.890 N/A ARG 62.A NE ASP 58.A OD2 no hydrogen 3.071 N/A TYR 63.A N HIS 59.A O no hydrogen 3.015 N/A THR 64.A N TRP 60.A O no hydrogen 2.907 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.707 N/A GLN 65.A N GLU 61.A O no hydrogen 3.226 N/A GLN 65.A NE2 GLU 61.A OE1 no hydrogen 3.553 N/A GLN 65.A NE2 GLU 61.A OE2 no hydrogen 3.174 N/A LEU 66.A N ARG 62.A O no hydrogen 3.159 N/A LEU 67.A N TYR 63.A O no hydrogen 2.835 N/A ARG 68.A N THR 64.A O no hydrogen 3.020 N/A ARG 68.A NE ARG 42.A O no hydrogen 2.898 N/A ARG 68.A NH2 ARG 42.A O no hydrogen 2.865 N/A GLY 69.A N GLN 65.A O no hydrogen 3.356 N/A TRP 70.A N LEU 66.A O no hydrogen 2.861 N/A GLN 71.A N LEU 67.A O no hydrogen 2.819 N/A GLN 72.A N.A ARG 68.A O no hydrogen 3.309 N/A GLN 72.A N.B ARG 68.A O no hydrogen 3.308 N/A MET 73.A N.A GLY 69.A O no hydrogen 2.950 N/A MET 73.A N.B GLY 69.A O no hydrogen 3.087 N/A PHE 74.A N TRP 70.A O no hydrogen 2.961 N/A LYS 75.A N GLN 71.A O no hydrogen 3.143 N/A LYS 75.A NZ GLU 22.A OE2 no hydrogen 2.701 N/A VAL 76.A N GLN 72.A O.A no hydrogen 3.086 N/A VAL 76.A N GLN 72.A O.B no hydrogen 3.037 N/A GLU 77.A N MET 73.A O.A no hydrogen 2.963 N/A GLU 77.A N MET 73.A O.B no hydrogen 2.800 N/A LEU 78.A N PHE 74.A O no hydrogen 2.955 N/A LYS 79.A N LYS 75.A O no hydrogen 3.035 N/A ARG 80.A N VAL 76.A O no hydrogen 3.017 N/A LEU 81.A N GLU 77.A O no hydrogen 2.911 N/A GLN 82.A N LEU 78.A O no hydrogen 2.959 N/A GLN 82.A NE2 SER 14.A OG no hydrogen 2.725 N/A ARG 83.A N LYS 79.A O no hydrogen 3.033 N/A HIS 84.A N ARG 80.A O no hydrogen 2.997 N/A TYR 85.A N LEU 81.A O no hydrogen 2.947 N/A TYR 85.A OH ASP 134.A OD2 no hydrogen 2.536 N/A ASN 86.A N ARG 83.A O no hydrogen 3.121 N/A HIS 87.A N GLN 82.A O no hydrogen 2.811 N/A HIS 87.A ND1 TYR 115.A OH no hydrogen 2.805 N/A SER 90.A OG SER 14.A O no hydrogen 2.705 N/A HIS 91.A N SER 14.A OG no hydrogen 2.902 N/A THR 92.A N.A ASP 116.A OD1 no hydrogen 2.949 N/A THR 92.A N.B ASP 116.A OD1 no hydrogen 2.941 N/A TYR 93.A N GLY 12.A O no hydrogen 2.928 N/A TYR 93.A OH GLU 77.A OE1 no hydrogen 2.897 N/A GLN 94.A N ALA 114.A O no hydrogen 2.871 N/A ARG 95.A N ARG 10.A O no hydrogen 3.002 N/A ARG 95.A NE TYR 113.A OH no hydrogen 2.897 N/A MET 96.A N.A GLN 112.A O no hydrogen 2.911 N/A MET 96.A N.B GLN 112.A O no hydrogen 2.894 N/A ILE 97.A N TYR 8.A O no hydrogen 3.021 N/A GLY 98.A N PHE 110.A O no hydrogen 2.972 N/A CYS 99.A N LEU 6.A O no hydrogen 2.893 N/A GLU 100.A N THR 108.A O no hydrogen 2.942 N/A LEU 101.A N HIS 4.A O no hydrogen 2.884 N/A LEU 102.A N SER 106.A O no hydrogen 2.879 N/A GLU 103.A N THR 3.A OG1 no hydrogen 3.341 N/A GLY 105.A N LEU 102.A O no hydrogen 2.917 N/A SER 106.A N ASP 104.A OD1 no hydrogen 3.077 N/A SER 106.A OG ASP 104.A OD1 no hydrogen 2.624 N/A THR 108.A N GLU 100.A O no hydrogen 3.077 N/A PHE 110.A N GLY 98.A O no hydrogen 2.945 N/A GLN 112.A N MET 96.A O.A no hydrogen 2.961 N/A GLN 112.A N MET 96.A O.B no hydrogen 2.905 N/A TYR 113.A N LEU 121.A O no hydrogen 2.826 N/A ALA 114.A N GLN 94.A O no hydrogen 2.851 N/A TYR 115.A N GLN 118.A O no hydrogen 3.034 N/A TYR 115.A OH HIS 87.A ND1 no hydrogen 2.805 N/A ASP 116.A N THR 92.A O.A no hydrogen 2.901 N/A ASP 116.A N THR 92.A O.B no hydrogen 2.720 N/A GLN 118.A N TYR 115.A O no hydrogen 3.221 N/A PHE 120.A N TYR 113.A O no hydrogen 2.795 N/A LEU 121.A N TYR 113.A O no hydrogen 3.268 N/A ILE 122.A N LEU 131.A O no hydrogen 3.003 N/A PHE 123.A N LEU 111.A O no hydrogen 2.883 N/A ASN 124.A N SER 129.A O no hydrogen 2.852 N/A LYS 125.A NZ GLU 159.A OE2 no hydrogen 2.896 N/A ASP 126.A N ASN 124.A OD1 no hydrogen 2.976 N/A THR 127.A N ASN 124.A OD1 no hydrogen 3.161 N/A THR 127.A OG1 SER 129.A OG no hydrogen 2.680 N/A SER 129.A N ASN 124.A O no hydrogen 3.166 N/A SER 129.A OG THR 127.A OG1 no hydrogen 2.680 N/A TRP 130.A N GLU 145.A OE2 no hydrogen 2.807 N/A LEU 131.A N ILE 122.A O no hydrogen 2.707 N/A VAL 133.A N PHE 120.A O no hydrogen 3.393 N/A ALA 137.A N ASP 134.A OD1 no hydrogen 2.914 N/A HIS 138.A N ASP 134.A O no hydrogen 2.947 N/A THR 139.A N ASN 135.A O no hydrogen 3.177 N/A THR 139.A OG1 ASN 135.A O no hydrogen 3.364 N/A ILE 140.A N VAL 136.A O no hydrogen 3.258 N/A LYS 141.A N ALA 137.A O no hydrogen 2.771 N/A LYS 141.A NZ TRP 130.A O no hydrogen 2.893 N/A LYS 141.A NZ GLU 145.A OE1 no hydrogen 3.513 N/A LYS 141.A NZ GLU 145.A OE2 no hydrogen 2.892 N/A GLN 142.A N.A HIS 138.A O no hydrogen 2.953 N/A GLN 142.A N.B HIS 138.A O no hydrogen 2.974 N/A ALA 143.A N THR 139.A O no hydrogen 3.281 N/A TRP 144.A N ILE 140.A O no hydrogen 2.868 N/A GLU 145.A N LYS 141.A O no hydrogen 2.787 N/A ALA 146.A N ALA 143.A O no hydrogen 3.359 N/A ASN 147.A N TRP 144.A O no hydrogen 3.197 N/A GLU 150.A N ASN 147.A OD1 no hydrogen 3.401 N/A LEU 151.A N ASN 147.A O no hydrogen 3.330 N/A LEU 152.A N GLN 148.A O no hydrogen 3.102 N/A TYR 153.A N HIS 149.A O no hydrogen 2.926 N/A GLN 154.A N GLU 150.A O no hydrogen 2.940 N/A GLN 154.A NE2 GLU 150.A OE2 no hydrogen 3.231 N/A LYS 155.A N LEU 151.A O no hydrogen 3.050 N/A LYS 155.A NZ LYS 125.A O no hydrogen 2.921 N/A LYS 155.A NZ GLU 159.A OE1 no hydrogen 3.539 N/A LYS 155.A NZ GLU 159.A OE2 no hydrogen 2.730 N/A ASN 156.A N LEU 152.A O no hydrogen 2.943 N/A TRP 157.A N TYR 153.A O no hydrogen 2.903 N/A LEU 158.A N GLN 154.A O no hydrogen 2.997 N/A GLU 159.A N LYS 155.A O no hydrogen 2.995 N/A GLU 160.A N ASN 156.A O no hydrogen 2.856 N/A GLU 161.A N ASN 156.A O no hydrogen 3.383 N/A CYS 162.A N TRP 157.A O no hydrogen 2.789 N/A ALA 164.A N GLU 160.A O no hydrogen 3.074 N/A TRP 165.A N GLU 161.A O no hydrogen 2.821 N/A LEU 166.A N CYS 162.A O no hydrogen 2.887 N/A LYS 167.A N ILE 163.A O no hydrogen 2.927 N/A ARG 168.A N ALA 164.A O no hydrogen 3.111 N/A ARG 168.A NE TYR 172.A OH no hydrogen 2.760 N/A ARG 168.A NH2 TYR 172.A OH no hydrogen 3.329 N/A PHE 169.A N TRP 165.A O no hydrogen 2.946 N/A LEU 170.A N LEU 166.A O no hydrogen 2.814 N/A GLU 171.A N LYS 167.A O no hydrogen 3.221 N/A TYR 172.A N ARG 168.A O no hydrogen 3.098 N/A GLY 173.A N PHE 169.A O no hydrogen 2.833 N/A LYS 174.A N GLU 171.A O no hydrogen 3.208 N/A THR 176.A N GLY 173.A O no hydrogen 2.896 N/A LEU 177.A N GLY 173.A O no hydrogen 2.786 N/A GLN 178.A N LYS 174.A O no hydrogen 2.903 N/A ARG 179.A NE GLU 181.A OE2 no hydrogen 2.729 N/A ARG 179.A NH1 THR 176.A O no hydrogen 2.968 N/A ARG 179.A NH2 GLU 181.A OE2 no hydrogen 2.839 N/A ARG 179.A NH2 GLY 233.A O no hydrogen 3.213 N/A GLU 181.A N TYR 203.A O no hydrogen 2.727 N/A LEU 184.A N HIS 200.A O no hydrogen 2.870 N/A ARG 186.A N LYS 198.A O no hydrogen 2.972 N/A ASN 188.A N PHE 196.A O no hydrogen 2.902 N/A LYS 190.A N ALA 194.A O no hydrogen 2.876 N/A ALA 194.A N LYS 190.A O no hydrogen 2.893 N/A LEU 195.A N ILE 241.A O no hydrogen 2.858 N/A PHE 196.A N ASN 188.A O no hydrogen 2.776 N/A CYS 197.A N ALA 239.A O no hydrogen 2.811 N/A LYS 198.A N ARG 186.A O no hydrogen 2.846 N/A ALA 199.A N ALA 237.A O no hydrogen 2.842 N/A HIS 200.A N LEU 184.A O no hydrogen 3.067 N/A PHE 202.A N TYR 235.A O no hydrogen 3.332 N/A TYR 203.A N GLU 181.A O no hydrogen 2.954 N/A TYR 208.A N GLU 251.A O no hydrogen 2.998 N/A THR 210.A N HIS 249.A O no hydrogen 2.887 N/A TRP 211.A NE1 ALA 239.A O no hydrogen 2.883 N/A MET 212.A N SER 247.A O no hydrogen 2.821 N/A LYS 213.A N GLU 217.A O no hydrogen 2.752 N/A ASN 214.A N LEU 245.A O no hydrogen 2.764 N/A ASN 214.A ND2 ASN 244.A OD1 no hydrogen 3.681 N/A GLU 217.A N LYS 213.A O no hydrogen 3.364 N/A VAL 219.A N TRP 211.A O no hydrogen 3.205 N/A ASP 223.A N SER 240.A O no hydrogen 2.891 N/A GLY 225.A N TRP 238.A O no hydrogen 2.691 N/A LEU 228.A N GLN 236.A O no hydrogen 2.837 N/A SER 230.A N THR 234.A O no hydrogen 2.861 N/A SER 230.A OG THR 234.A O no hydrogen 3.535 N/A SER 230.A OG GLN 236.A OE1 no hydrogen 3.095 N/A THR 234.A N ASP 232.A OD1 no hydrogen 2.994 N/A THR 234.A OG1 ASP 232.A OD1 no hydrogen 2.631 N/A THR 234.A OG1 ASP 232.A OD2 no hydrogen 3.435 N/A TYR 235.A N PHE 202.A O no hydrogen 2.858 N/A TYR 235.A OH SER 31.A OG no hydrogen 3.111 N/A GLN 236.A N LEU 228.A O no hydrogen 2.992 N/A ALA 237.A N ALA 199.A O no hydrogen 2.955 N/A ALA 239.A N CYS 197.A O no hydrogen 2.919 N/A SER 240.A N ASP 223.A O no hydrogen 2.797 N/A ILE 241.A N LEU 195.A O no hydrogen 3.080 N/A LEU 243.A N THR 193.A O no hydrogen 2.684 N/A SER 247.A N MET 212.A O no hydrogen 2.920 N/A CYS 248.A N LEU 259.A O no hydrogen 2.849 N/A CYS 248.A SG THR 210.A O no hydrogen 3.867 N/A HIS 249.A N THR 210.A O no hydrogen 2.794 N/A VAL 250.A N MET 257.A O.A no hydrogen 2.879 N/A VAL 250.A N MET 257.A O.B no hydrogen 2.879 N/A GLU 251.A N TYR 208.A O no hydrogen 2.787 N/A HIS 252.A N VAL 255.A O no hydrogen 2.955 N/A HIS 252.A NE2 PRO 204.A O no hydrogen 2.847 N/A VAL 255.A N HIS 252.A O no hydrogen 2.980 N/A MET 257.A N.A VAL 250.A O no hydrogen 2.767 N/A MET 257.A N.B VAL 250.A O no hydrogen 2.777 N/A LEU 259.A N CYS 248.A O no hydrogen 2.833 N/A GLN 260.A NE2 VAL 261.A O no hydrogen 3.344 N/A VAL 261.A N TYR 246.A O no hydrogen 2.835 N/A