Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2rdq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N THR 1.A OG1 no hydrogen 3.252 N/A THR 4.A N LEU 206.A O no hydrogen 2.881 N/A THR 4.A OG1 LEU 206.A O no hydrogen 2.992 N/A TYR 7.A N SER 209.A OG no hydrogen 2.726 N/A TYR 7.A OH VAL 165.A O no hydrogen 2.622 N/A THR 8.A N TYR 29.A OH no hydrogen 2.912 N/A CYS 10.A N PHE 31.A O no hydrogen 2.870 N/A CYS 10.A SG THR 8.A O no hydrogen 3.415 N/A THR 11.A N ASP 9.A OD1 no hydrogen 3.032 N/A THR 11.A OG1 ASP 9.A OD1 no hydrogen 2.631 N/A LEU 13.A N CYS 10.A O no hydrogen 2.918 N/A LEU 14.A N THR 11.A O no hydrogen 3.289 N/A ASP 16.A N LEU 13.A O no hydrogen 2.916 N/A ARG 17.A NH1 ASP 21.A OD1 no hydrogen 3.039 N/A ARG 17.A NH1 VAL 102.A O no hydrogen 3.014 N/A ARG 17.A NH2 GLN 101.A O no hydrogen 2.671 N/A ALA 19.A N ASP 16.A OD1 no hydrogen 3.122 N/A LEU 20.A N ASP 16.A O no hydrogen 2.877 N/A ASP 21.A N ARG 17.A O no hydrogen 2.926 N/A SER 22.A N ALA 18.A O no hydrogen 2.885 N/A PHE 23.A N ALA 19.A O no hydrogen 3.036 N/A TYR 24.A N LEU 20.A O no hydrogen 3.064 N/A GLU 25.A N ASP 21.A O no hydrogen 2.859 N/A GLU 26.A N SER 22.A O no hydrogen 3.067 N/A HIS 27.A N PHE 23.A O no hydrogen 2.835 N/A HIS 27.A ND1 ASP 169.A OD1 no hydrogen 2.770 N/A GLY 28.A N TYR 24.A O no hydrogen 2.766 N/A LEU 30.A N LEU 218.A O no hydrogen 2.972 N/A LEU 32.A N ILE 216.A O no hydrogen 2.957 N/A ARG 33.A N THR 11.A OG1 no hydrogen 2.849 N/A ARG 33.A NH1 ASP 9.A OD2 no hydrogen 2.914 N/A ASN 34.A N ASP 215.A OD1 no hydrogen 2.803 N/A VAL 35.A N GLY 214.A O no hydrogen 2.970 N/A LEU 36.A N GLY 214.A O no hydrogen 2.922 N/A ARG 38.A NH2 PRO 213.A O no hydrogen 3.444 N/A ASP 39.A N ASP 37.A OD1 no hydrogen 2.823 N/A LEU 40.A N ASP 37.A OD1 no hydrogen 3.209 N/A VAL 41.A N ASP 37.A O no hydrogen 3.015 N/A LYS 42.A N ARG 38.A O no hydrogen 2.922 N/A THR 43.A N ASP 39.A O no hydrogen 3.067 N/A THR 43.A OG1 LEU 40.A O no hydrogen 2.551 N/A VAL 44.A N LEU 40.A O no hydrogen 3.201 N/A ALA 45.A N VAL 41.A O no hydrogen 2.916 N/A GLU 46.A N.A LYS 42.A O no hydrogen 2.876 N/A GLU 46.A N.B LYS 42.A O no hydrogen 2.890 N/A GLN 47.A N THR 43.A O no hydrogen 2.972 N/A MET 48.A N VAL 44.A O no hydrogen 2.969 N/A ARG 49.A N ALA 45.A O no hydrogen 2.867 N/A ARG 49.A NE GLU 46.A OE1.A no hydrogen 2.722 N/A ARG 49.A NH1 GLU 50.A OE1 no hydrogen 3.176 N/A ARG 49.A NH2 GLU 46.A OE1.A no hydrogen 2.925 N/A ARG 49.A NH2 GLU 50.A OE1 no hydrogen 3.510 N/A GLU 50.A N GLU 46.A O.A no hydrogen 2.890 N/A GLU 50.A N GLU 46.A O.B no hydrogen 3.054 N/A GLY 51.A N GLN 47.A O no hydrogen 2.973 N/A LEU 52.A N MET 48.A O no hydrogen 2.959 N/A VAL 53.A N ARG 49.A O no hydrogen 2.958 N/A ALA 54.A N GLU 50.A O no hydrogen 3.012 N/A LEU 55.A N GLY 51.A O no hydrogen 2.737 N/A GLY 56.A N LEU 52.A O no hydrogen 2.650 N/A ALA 58.A N LEU 52.A O no hydrogen 3.234 N/A HIS 61.A N ASP 59.A OD1 no hydrogen 2.899 N/A ALA 62.A N ASP 59.A O no hydrogen 3.229 N/A THR 63.A N GLU 66.A OE1 no hydrogen 2.943 N/A GLU 66.A N THR 63.A O no hydrogen 3.062 N/A GLU 66.A N THR 63.A OG1 no hydrogen 3.160 N/A LEU 67.A N LEU 64.A O no hydrogen 3.400 N/A SER 74.A N SER 71.A OG no hydrogen 3.230 N/A SER 74.A OG SER 71.A O no hydrogen 2.951 N/A VAL 75.A N PHE 72.A O no hydrogen 3.193 N/A ALA 79.A N ASP 76.A OD1 no hydrogen 3.071 N/A MET 80.A N ASP 76.A O no hydrogen 3.000 N/A HIS 81.A N GLU 77.A O no hydrogen 3.198 N/A HIS 81.A N VAL 78.A O no hydrogen 3.158 N/A HIS 81.A ND1 TYR 86.A OH no hydrogen 2.632 N/A ASP 82.A N ALA 79.A O no hydrogen 3.002 N/A TYR 83.A N MET 80.A O no hydrogen 3.006 N/A VAL 84.A N MET 80.A O no hydrogen 3.122 N/A LYS 85.A N GLN 47.A OE1 no hydrogen 2.847 N/A LYS 85.A NZ ASP 82.A O no hydrogen 2.811 N/A TYR 86.A OH HIS 81.A ND1 no hydrogen 2.632 N/A TRP 90.A N TYR 86.A O no hydrogen 2.824 N/A TRP 90.A NE1 THR 113.A OG1 no hydrogen 2.800 N/A ASN 91.A N ASP 87.A O no hydrogen 2.995 N/A ASN 92.A N PHE 89.A O no hydrogen 3.212 N/A SER 94.A N ASN 92.A OD1 no hydrogen 3.063 N/A SER 94.A OG ASN 92.A OD1 no hydrogen 3.079 N/A THR 95.A N ASN 92.A O no hydrogen 2.903 N/A THR 95.A OG1 PHE 89.A O no hydrogen 2.915 N/A ILE 96.A N ASN 92.A O no hydrogen 2.967 N/A LYS 97.A N PRO 93.A O no hydrogen 2.961 N/A LYS 97.A NZ PRO 93.A O no hydrogen 2.802 N/A PHE 99.A N THR 95.A O no hydrogen 3.084 N/A GLU 100.A N ILE 96.A O no hydrogen 2.854 N/A GLN 101.A N LYS 97.A O no hydrogen 2.933 N/A VAL 102.A N VAL 98.A O no hydrogen 3.046 N/A PHE 103.A N PHE 99.A O no hydrogen 3.001 N/A GLY 104.A N GLU 100.A O no hydrogen 2.718 N/A PHE 108.A N GLN 247.A O no hydrogen 2.742 N/A PHE 110.A N ARG 245.A O no hydrogen 2.923 N/A LEU 111.A N ALA 257.A O no hydrogen 2.857 N/A SER 112.A OG ASN 256.A O.A no hydrogen 2.666 N/A SER 112.A OG ASN 256.A O.B no hydrogen 2.805 N/A THR 114.A N ASP 243.A O no hydrogen 2.896 N/A ARG 116.A N SER 241.A O no hydrogen 2.928 N/A ARG 116.A NE ASP 243.A OD1 no hydrogen 2.980 N/A ARG 116.A NH1 TYR 118.A OH no hydrogen 2.769 N/A TYR 118.A N ARG 239.A O no hydrogen 2.865 N/A SER 120.A OG SER 232.A O no hydrogen 2.691 N/A GLN 121.A N ASN 230.A O no hydrogen 2.919 N/A GLN 121.A NE2 SER 128.A O no hydrogen 2.855 N/A ALA 122.A N SER 120.A OG no hydrogen 3.131 N/A SER 124.A N.A GLN 121.A O no hydrogen 3.055 N/A SER 124.A N.B GLN 121.A O no hydrogen 3.060 N/A SER 124.A OG.A GLN 121.A O no hydrogen 3.406 N/A SER 128.A N GLN 121.A OE1 no hydrogen 2.787 N/A HIS 130.A NE2 GLU 73.A OE1 no hydrogen 2.769 N/A LEU 132.A N PHE 129.A O no hydrogen 3.279 N/A THR 133.A N SER 227.A OG no hydrogen 2.808 N/A THR 133.A OG1 SER 227.A OG no hydrogen 2.807 N/A HIS 136.A N HIS 225.A O no hydrogen 2.918 N/A HIS 136.A ND1 PRO 134.A O no hydrogen 2.831 N/A GLN 137.A N HIS 179.A NE2 no hydrogen 3.052 N/A GLY 139.A N ALA 221.A O no hydrogen 2.874 N/A PHE 140.A N GLN 137.A O no hydrogen 3.048 N/A TYR 141.A N ASP 138.A O no hydrogen 2.971 N/A ILE 142.A N ASP 138.A O no hydrogen 2.923 N/A ASN 145.A ND2 ASP 147.A OD1 no hydrogen 2.887 N/A ASN 145.A ND2 GLN 247.A OE1 no hydrogen 2.966 N/A GLN 146.A NE2 GLY 139.A O no hydrogen 3.372 N/A GLN 146.A NE2 ILE 142.A O no hydrogen 2.898 N/A GLN 146.A NE2 PRO 144.A O no hydrogen 3.514 N/A GLN 146.A NE2 ASN 145.A O no hydrogen 3.197 N/A ARG 149.A N VAL 246.A O no hydrogen 2.792 N/A THR 150.A N PHE 219.A O no hydrogen 2.955 N/A THR 150.A OG1 ASP 138.A OD2 no hydrogen 2.615 N/A PHE 151.A N THR 244.A O no hydrogen 2.833 N/A TRP 152.A N LEU 217.A O no hydrogen 2.738 N/A ILE 153.A N MET 242.A O no hydrogen 2.931 N/A LEU 155.A N MET 240.A O no hydrogen 2.803 N/A ARG 157.A NE GLU 65.A OE1 no hydrogen 3.391 N/A ARG 157.A NE GLU 65.A OE2 no hydrogen 3.410 N/A THR 158.A N MET 211.A O no hydrogen 2.956 N/A THR 159.A N SER 162.A OG no hydrogen 2.936 N/A ARG 160.A NH2 ASP 6.A OD1 no hydrogen 2.728 N/A ARG 160.A NH2 ASP 6.A OD2 no hydrogen 3.483 N/A SER 162.A N THR 159.A OG1 no hydrogen 2.991 N/A SER 162.A OG THR 159.A O no hydrogen 3.522 N/A GLY 163.A N THR 159.A O no hydrogen 3.192 N/A ALA 166.A N LYS 226.A O no hydrogen 2.802 N/A LEU 167.A N LEU 207.A O no hydrogen 2.983 N/A ALA 168.A N CYS 224.A O no hydrogen 2.961 N/A ASP 169.A N HIS 205.A O no hydrogen 2.883 N/A GLY 170.A N HIS 27.A O no hydrogen 2.986 N/A SER 171.A N ALA 168.A O no hydrogen 3.083 N/A SER 171.A OG ALA 168.A O no hydrogen 2.676 N/A HIS 172.A N HIS 172.A ND1 no hydrogen 2.858 N/A HIS 172.A NE2 GLU 25.A O no hydrogen 2.910 N/A ARG 173.A NH1 GLU 26.A O no hydrogen 2.903 N/A ARG 174.A NH1 GLU 199.A OE1 no hydrogen 3.565 N/A ARG 174.A NH2 GLU 199.A OE1 no hydrogen 2.995 N/A LYS 176.A NZ GLY 139.A O no hydrogen 3.396 N/A ARG 177.A NH1 GLU 199.A O no hydrogen 2.645 N/A ARG 177.A NH1 GLU 204.A OE2 no hydrogen 2.908 N/A ARG 177.A NH2 GLU 204.A OE1 no hydrogen 2.684 N/A ARG 177.A NH2 GLU 204.A OE2 no hydrogen 3.368 N/A HIS 179.A ND1 ARG 177.A O no hydrogen 2.831 N/A VAL 180.A N.A GLY 194.A O no hydrogen 2.811 N/A VAL 180.A N.B GLY 194.A O no hydrogen 2.781 N/A ASN 182.A N VAL 192.A O no hydrogen 2.956 N/A SER 184.A N ASN 182.A OD1 no hydrogen 2.904 N/A SER 184.A OG ASN 182.A OD1 no hydrogen 2.754 N/A PHE 185.A N ASN 182.A O no hydrogen 3.067 N/A ARG 186.A N HIS 130.A O no hydrogen 2.953 N/A ARG 186.A NH2 GLU 183.A O no hydrogen 2.964 N/A ARG 187.A N HIS 190.A O no hydrogen 2.899 N/A ARG 187.A NH1 GLU 77.A OE1 no hydrogen 3.449 N/A ARG 187.A NH2 GLU 77.A OE1 no hydrogen 2.803 N/A ARG 187.A NH2 GLU 77.A OE2 no hydrogen 3.121 N/A HIS 190.A N ARG 187.A O no hydrogen 2.937 N/A ARG 193.A NE HIS 179.A O no hydrogen 2.705 N/A ARG 193.A NH2 HIS 179.A O no hydrogen 2.824 N/A GLY 194.A N VAL 180.A O.A no hydrogen 2.784 N/A GLY 194.A N VAL 180.A O.B no hydrogen 2.886 N/A ILE 195.A N PHE 135.A O no hydrogen 2.786 N/A GLU 199.A N PRO 196.A O no hydrogen 2.956 N/A SER 201.A N GLU 204.A OE2 no hydrogen 3.136 N/A ASP 203.A N SER 201.A OG no hydrogen 2.933 N/A GLU 204.A N SER 201.A O no hydrogen 3.022 N/A LEU 207.A N LEU 167.A O no hydrogen 2.806 N/A HIS 208.A N GLY 5.A O no hydrogen 2.881 N/A SER 209.A OG ASP 6.A OD1 no hydrogen 3.097 N/A MET 211.A N THR 158.A OG1 no hydrogen 2.879 N/A GLU 212.A N ASP 215.A OD2 no hydrogen 2.803 N/A ASP 215.A N GLU 212.A O no hydrogen 2.914 N/A ILE 216.A N LEU 32.A O no hydrogen 2.881 N/A LEU 217.A N TRP 152.A O no hydrogen 2.985 N/A LEU 218.A N LEU 30.A O no hydrogen 2.993 N/A PHE 219.A N THR 150.A O no hydrogen 2.948 N/A HIS 220.A N GLY 28.A O no hydrogen 2.923 N/A HIS 222.A NE2 GLN 146.A OE1 no hydrogen 2.771 N/A MET 223.A N HIS 220.A O no hydrogen 2.973 N/A CYS 224.A N SER 171.A OG no hydrogen 2.894 N/A CYS 224.A SG SER 171.A O no hydrogen 3.816 N/A CYS 224.A SG HIS 222.A O no hydrogen 3.938 N/A HIS 225.A N HIS 136.A O no hydrogen 2.991 N/A HIS 225.A ND1 MET 223.A O no hydrogen 2.927 N/A LYS 226.A N ALA 166.A O no hydrogen 3.023 N/A SER 227.A N THR 133.A O no hydrogen 3.052 N/A SER 227.A OG THR 133.A O no hydrogen 3.562 N/A SER 227.A OG THR 133.A OG1 no hydrogen 2.807 N/A ILE 228.A N GLY 164.A O no hydrogen 2.827 N/A ASN 230.A ND2 TYR 118.A O no hydrogen 2.957 N/A ASN 230.A ND2 LEU 237.A O no hydrogen 2.776 N/A LEU 231.A N GLU 161.A O no hydrogen 2.816 N/A SER 232.A N ASN 230.A OD1 no hydrogen 3.057 N/A SER 232.A OG ASN 230.A OD1 no hydrogen 2.810 N/A SER 232.A OG LEU 237.A O no hydrogen 3.036 N/A ARG 236.A NH1 ALA 122.A O no hydrogen 3.259 N/A LEU 237.A N SER 232.A OG no hydrogen 2.873 N/A ARG 239.A N TYR 118.A O no hydrogen 2.881 N/A ARG 239.A NH1 SER 241.A OG no hydrogen 2.924 N/A SER 241.A N ARG 116.A O no hydrogen 2.976 N/A MET 242.A N ILE 153.A O no hydrogen 3.043 N/A ASP 243.A N THR 114.A O no hydrogen 2.942 N/A THR 244.A N PHE 151.A O no hydrogen 2.985 N/A THR 244.A OG1 SER 112.A O no hydrogen 2.829 N/A THR 244.A OG1 ARG 245.A O no hydrogen 3.561 N/A ARG 245.A NE ASP 138.A OD2 no hydrogen 3.008 N/A ARG 245.A NH1 ASP 138.A OD2 no hydrogen 2.828 N/A ARG 245.A NH1 ASP 243.A OD2 no hydrogen 2.853 N/A ARG 245.A NH2 ASP 243.A O no hydrogen 3.210 N/A ARG 245.A NH2 ASP 243.A OD2 no hydrogen 2.941 N/A VAL 246.A N ARG 149.A O no hydrogen 2.917 N/A GLN 247.A N PHE 108.A O no hydrogen 3.011 N/A GLN 247.A NE2 SER 251.A O no hydrogen 3.549 N/A GLN 247.A NE2 HIS 252.A O no hydrogen 2.818 N/A ALA 249.A N PRO 106.A O no hydrogen 2.883 N/A SER 251.A N PRO 248.A O no hydrogen 3.048 N/A SER 251.A OG ASP 147.A OD2 no hydrogen 2.663 N/A ARG 253.A NH2 ALA 249.A O no hydrogen 2.942 N/A ASN 256.A ND2.A GLY 143.A O no hydrogen 3.391 N/A MET 258.A N GLY 254.A O no hydrogen 3.190 N/A MET 258.A N PHE 255.A O no hydrogen 3.183 N/A THR 259.A N ASN 256.A O.B no hydrogen 3.382 N/A THR 259.A OG1 PHE 255.A O no hydrogen 2.648 N/A THR 262.A OG1 GLU 263.A OE1 no hydrogen 2.726 N/A GLU 263.A N PRO 260.A O no hydrogen 3.003 N/A SER 264.A N PRO 260.A O no hydrogen 3.309 N/A SER 264.A N TRP 261.A O no hydrogen 3.266 N/A SER 264.A OG PRO 260.A O no hydrogen 3.457 N/A SER 264.A OG TRP 261.A O no hydrogen 3.367 N/A ALA 265.A N TRP 261.A O no hydrogen 2.941 N/A