Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2rdr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N LEU 205.A O.A no hydrogen 2.861 N/A THR 3.A N LEU 205.A O.B no hydrogen 2.884 N/A THR 3.A OG1 LEU 205.A O.B no hydrogen 3.389 N/A GLY 4.A N LEU 205.A O.A no hydrogen 3.350 N/A GLY 4.A N LEU 205.A O.B no hydrogen 3.192 N/A TYR 6.A N SER 208.A OG no hydrogen 2.725 N/A TYR 6.A OH VAL 164.A O no hydrogen 2.583 N/A THR 7.A N TYR 28.A OH no hydrogen 2.921 N/A THR 7.A OG1 TYR 28.A OH no hydrogen 3.414 N/A CYS 9.A N PHE 30.A O no hydrogen 2.780 N/A CYS 9.A SG THR 7.A O no hydrogen 3.370 N/A THR 10.A N ASP 8.A OD1 no hydrogen 3.014 N/A THR 10.A OG1 ASP 8.A OD1 no hydrogen 2.646 N/A LEU 12.A N CYS 9.A O no hydrogen 2.798 N/A LEU 13.A N THR 10.A O no hydrogen 3.134 N/A ASP 15.A N LEU 12.A O no hydrogen 2.853 N/A ARG 16.A NH1 GLN 100.A O no hydrogen 2.977 N/A ARG 16.A NH1 VAL 101.A O no hydrogen 3.160 N/A ARG 16.A NH2 GLN 100.A O no hydrogen 2.687 N/A ALA 18.A N ASP 15.A OD1 no hydrogen 3.185 N/A LEU 19.A N ASP 15.A O no hydrogen 2.854 N/A ASP 20.A N ARG 16.A O no hydrogen 2.909 N/A SER 21.A N ALA 17.A O no hydrogen 3.001 N/A PHE 22.A N ALA 18.A O no hydrogen 2.985 N/A TYR 23.A N LEU 19.A O no hydrogen 3.013 N/A GLU 24.A N ASP 20.A O no hydrogen 2.851 N/A GLU 25.A N SER 21.A O no hydrogen 3.050 N/A HIS 26.A N PHE 22.A O no hydrogen 2.783 N/A HIS 26.A ND1 ASP 168.A OD1 no hydrogen 2.694 N/A GLY 27.A N TYR 23.A O no hydrogen 2.739 N/A LEU 29.A N LEU 217.A O no hydrogen 2.964 N/A LEU 31.A N ILE 215.A O no hydrogen 2.872 N/A ARG 32.A N THR 10.A OG1 no hydrogen 2.793 N/A ARG 32.A NH1 ASP 8.A OD2 no hydrogen 3.145 N/A ASN 33.A N ASP 214.A OD1 no hydrogen 2.924 N/A VAL 34.A N GLY 213.A O no hydrogen 2.925 N/A LEU 35.A N GLY 213.A O no hydrogen 2.988 N/A ARG 37.A NE ASN 33.A OD1 no hydrogen 2.866 N/A ASP 38.A N ASP 36.A OD1 no hydrogen 2.879 N/A LEU 39.A N ASP 36.A OD1 no hydrogen 3.237 N/A VAL 40.A N ASP 36.A O no hydrogen 3.032 N/A LYS 41.A N ARG 37.A O no hydrogen 2.912 N/A THR 42.A N ASP 38.A O no hydrogen 3.021 N/A THR 42.A OG1 ASP 38.A O no hydrogen 3.032 N/A VAL 43.A N LEU 39.A O no hydrogen 3.182 N/A ALA 44.A N VAL 40.A O no hydrogen 2.975 N/A GLU 45.A N.A LYS 41.A O no hydrogen 2.811 N/A GLU 45.A N.B LYS 41.A O no hydrogen 2.824 N/A GLN 46.A N THR 42.A O no hydrogen 2.886 N/A MET 47.A N VAL 43.A O no hydrogen 2.866 N/A ARG 48.A N ALA 44.A O no hydrogen 2.870 N/A ARG 48.A NH1 ALA 61.A O no hydrogen 3.184 N/A GLU 49.A N GLU 45.A O.A no hydrogen 2.728 N/A GLU 49.A N GLU 45.A O.B no hydrogen 2.846 N/A GLY 50.A N GLN 46.A O no hydrogen 3.031 N/A LEU 51.A N MET 47.A O no hydrogen 3.016 N/A VAL 52.A N ARG 48.A O no hydrogen 2.802 N/A ALA 53.A N GLU 49.A O no hydrogen 2.733 N/A LEU 54.A N GLY 50.A O no hydrogen 2.885 N/A GLY 55.A N VAL 52.A O no hydrogen 2.969 N/A ALA 56.A N LEU 51.A O no hydrogen 2.882 N/A ALA 57.A N LEU 51.A O no hydrogen 2.917 N/A HIS 60.A N ASP 58.A OD1 no hydrogen 2.893 N/A HIS 60.A ND1 ASP 58.A OD1 no hydrogen 2.659 N/A ALA 61.A N ASP 58.A O no hydrogen 3.173 N/A THR 62.A N GLU 65.A OE1 no hydrogen 3.174 N/A GLU 65.A N THR 62.A O no hydrogen 3.181 N/A GLU 65.A N THR 62.A OG1 no hydrogen 3.290 N/A LEU 66.A N LEU 63.A O no hydrogen 3.330 N/A THR 67.A OG1 ILE 68.A O no hydrogen 3.566 N/A SER 73.A N SER 70.A OG no hydrogen 3.057 N/A SER 73.A OG SER 70.A O no hydrogen 3.185 N/A VAL 74.A N PHE 71.A O no hydrogen 3.194 N/A ALA 78.A N ASP 75.A OD1 no hydrogen 3.070 N/A MET 79.A N ASP 75.A O no hydrogen 2.998 N/A HIS 80.A N GLU 76.A O no hydrogen 3.192 N/A HIS 80.A N VAL 77.A O no hydrogen 3.228 N/A HIS 80.A ND1 TYR 85.A OH no hydrogen 2.589 N/A ASP 81.A N ALA 78.A O no hydrogen 2.908 N/A TYR 82.A N MET 79.A O no hydrogen 3.032 N/A VAL 83.A N MET 79.A O no hydrogen 3.078 N/A LYS 84.A N GLN 46.A OE1 no hydrogen 2.909 N/A LYS 84.A NZ ASP 81.A O no hydrogen 2.698 N/A TYR 85.A OH HIS 80.A ND1 no hydrogen 2.589 N/A TRP 89.A N TYR 85.A O no hydrogen 2.853 N/A TRP 89.A NE1 THR 112.A OG1 no hydrogen 2.753 N/A ASN 90.A N ASP 86.A O no hydrogen 3.083 N/A ASN 91.A N PHE 88.A O no hydrogen 3.139 N/A SER 93.A N ASN 91.A OD1 no hydrogen 3.061 N/A SER 93.A OG ASN 91.A OD1 no hydrogen 3.079 N/A THR 94.A OG1 PHE 88.A O no hydrogen 2.966 N/A ILE 95.A N ASN 91.A O no hydrogen 2.936 N/A LYS 96.A N PRO 92.A O no hydrogen 2.928 N/A LYS 96.A NZ PRO 92.A O no hydrogen 2.768 N/A VAL 97.A N SER 93.A O no hydrogen 3.381 N/A PHE 98.A N THR 94.A O no hydrogen 3.076 N/A GLU 99.A N ILE 95.A O no hydrogen 2.782 N/A GLN 100.A N LYS 96.A O no hydrogen 2.995 N/A GLN 100.A NE2 LEU 13.A O no hydrogen 2.431 N/A VAL 101.A N VAL 97.A O no hydrogen 3.047 N/A PHE 102.A N PHE 98.A O no hydrogen 2.978 N/A GLY 103.A N GLU 99.A O no hydrogen 2.724 N/A PHE 107.A N GLN 246.A O no hydrogen 2.748 N/A PHE 109.A N ARG 244.A O no hydrogen 2.881 N/A LEU 110.A N ALA 256.A O no hydrogen 2.847 N/A SER 111.A OG ASN 255.A O no hydrogen 2.668 N/A THR 113.A N ASP 242.A O no hydrogen 2.853 N/A ARG 115.A N SER 240.A O no hydrogen 2.876 N/A ARG 115.A NE ASP 242.A OD1 no hydrogen 2.887 N/A ARG 115.A NH1 TYR 117.A OH no hydrogen 2.773 N/A TYR 117.A N ARG 238.A O no hydrogen 2.942 N/A SER 119.A OG SER 231.A O no hydrogen 2.663 N/A GLN 120.A N ASN 229.A O no hydrogen 2.951 N/A GLN 120.A NE2 SER 127.A O no hydrogen 2.806 N/A ALA 121.A N SER 119.A OG no hydrogen 3.187 N/A SER 123.A N.A GLN 120.A O no hydrogen 3.022 N/A SER 123.A N.B GLN 120.A O no hydrogen 3.027 N/A SER 127.A N GLN 120.A OE1 no hydrogen 2.769 N/A SER 127.A OG GLU 72.A OE2 no hydrogen 3.524 N/A HIS 129.A NE2 GLU 72.A OE1 no hydrogen 2.781 N/A LEU 131.A N PHE 128.A O no hydrogen 3.177 N/A THR 132.A N SER 226.A OG no hydrogen 2.866 N/A THR 132.A OG1 SER 226.A OG no hydrogen 2.833 N/A HIS 135.A N HIS 224.A O no hydrogen 2.895 N/A HIS 135.A ND1 PRO 133.A O no hydrogen 2.815 N/A GLN 136.A N HIS 178.A NE2 no hydrogen 3.121 N/A GLY 138.A N ALA 220.A O no hydrogen 2.914 N/A PHE 139.A N GLN 136.A O no hydrogen 2.848 N/A TYR 140.A N.A ASP 137.A O no hydrogen 3.000 N/A TYR 140.A N.B ASP 137.A O no hydrogen 2.971 N/A ILE 141.A N ASP 137.A O no hydrogen 2.847 N/A ASN 144.A ND2 ASP 146.A OD1 no hydrogen 2.891 N/A ASN 144.A ND2 GLN 246.A OE1 no hydrogen 3.034 N/A GLN 145.A NE2 GLY 138.A O no hydrogen 3.364 N/A GLN 145.A NE2 ILE 141.A O no hydrogen 2.854 N/A GLN 145.A NE2 PRO 143.A O no hydrogen 3.447 N/A GLN 145.A NE2 ASN 144.A O no hydrogen 3.253 N/A ARG 148.A N VAL 245.A O no hydrogen 2.774 N/A THR 149.A N PHE 218.A O no hydrogen 2.948 N/A THR 149.A OG1 ASP 137.A OD2 no hydrogen 2.570 N/A PHE 150.A N THR 243.A O no hydrogen 2.821 N/A TRP 151.A N LEU 216.A O no hydrogen 2.794 N/A ILE 152.A N MET 241.A O no hydrogen 2.946 N/A LEU 154.A N MET 239.A O no hydrogen 2.795 N/A ARG 156.A NE GLU 64.A OE2 no hydrogen 3.000 N/A THR 157.A N MET 210.A O no hydrogen 2.910 N/A THR 158.A N SER 161.A OG no hydrogen 2.926 N/A ARG 159.A NH2 ASP 5.A OD1 no hydrogen 2.800 N/A ARG 159.A NH2 ASP 5.A OD2 no hydrogen 3.475 N/A SER 161.A N THR 158.A OG1 no hydrogen 2.912 N/A SER 161.A OG THR 158.A O no hydrogen 3.559 N/A GLY 162.A N THR 158.A O no hydrogen 3.119 N/A GLY 163.A N ILE 227.A O no hydrogen 3.468 N/A ALA 165.A N LYS 225.A O no hydrogen 2.864 N/A LEU 166.A N LEU 206.A O no hydrogen 2.969 N/A ALA 167.A N CYS 223.A O no hydrogen 2.941 N/A ASP 168.A N HIS 204.A O no hydrogen 2.812 N/A GLY 169.A N HIS 26.A O no hydrogen 2.973 N/A SER 170.A N ALA 167.A O no hydrogen 3.069 N/A SER 170.A OG ALA 167.A O no hydrogen 2.679 N/A HIS 171.A N HIS 171.A ND1 no hydrogen 2.878 N/A HIS 171.A NE2 GLU 24.A O no hydrogen 2.753 N/A ARG 172.A NE GLY 169.A O no hydrogen 3.005 N/A ARG 172.A NH2 GLY 169.A O no hydrogen 3.079 N/A LYS 175.A NZ GLY 138.A O no hydrogen 3.131 N/A ARG 176.A NH1 GLU 198.A O no hydrogen 2.862 N/A ARG 176.A NH1 GLU 203.A OE1 no hydrogen 3.494 N/A ARG 176.A NH1 GLU 203.A OE2 no hydrogen 2.763 N/A ARG 176.A NH2 GLU 203.A OE1 no hydrogen 2.692 N/A ARG 176.A NH2 GLU 203.A OE2 no hydrogen 3.507 N/A ASP 177.A N GLU 198.A OE2 no hydrogen 2.979 N/A HIS 178.A ND1 ARG 176.A O no hydrogen 2.833 N/A VAL 179.A N.A GLY 193.A O no hydrogen 2.963 N/A VAL 179.A N.B GLY 193.A O no hydrogen 2.935 N/A ASN 181.A N VAL 191.A O no hydrogen 2.916 N/A SER 183.A N ASN 181.A OD1 no hydrogen 2.900 N/A SER 183.A OG ASN 181.A OD1 no hydrogen 2.770 N/A PHE 184.A N ASN 181.A O no hydrogen 3.376 N/A ARG 185.A N HIS 129.A O no hydrogen 2.825 N/A ARG 185.A NH2 GLU 182.A O no hydrogen 2.927 N/A ARG 186.A N HIS 189.A O no hydrogen 2.897 N/A HIS 189.A N ARG 186.A O no hydrogen 3.157 N/A VAL 191.A N PHE 184.A O no hydrogen 2.985 N/A ARG 192.A NE HIS 178.A O no hydrogen 2.809 N/A ARG 192.A NH2 HIS 178.A O no hydrogen 3.060 N/A GLY 193.A N VAL 179.A O.A no hydrogen 2.923 N/A GLY 193.A N VAL 179.A O.B no hydrogen 2.924 N/A ILE 194.A N PHE 134.A O no hydrogen 2.769 N/A GLU 198.A N PRO 195.A O no hydrogen 2.773 N/A VAL 199.A N PRO 196.A O no hydrogen 3.153 N/A SER 200.A N GLU 203.A OE2 no hydrogen 2.827 N/A ASP 202.A N SER 200.A OG no hydrogen 2.972 N/A GLU 203.A N SER 200.A O no hydrogen 3.034 N/A LEU 206.A N LEU 166.A O no hydrogen 2.769 N/A HIS 207.A N GLY 4.A O no hydrogen 3.023 N/A MET 210.A N THR 157.A OG1 no hydrogen 2.864 N/A GLU 211.A N ASP 214.A OD2 no hydrogen 2.763 N/A ASP 214.A N GLU 211.A O no hydrogen 2.907 N/A ILE 215.A N LEU 31.A O no hydrogen 2.797 N/A LEU 216.A N TRP 151.A O no hydrogen 2.962 N/A LEU 217.A N LEU 29.A O no hydrogen 2.961 N/A PHE 218.A N THR 149.A O no hydrogen 2.983 N/A HIS 219.A N GLY 27.A O no hydrogen 2.909 N/A HIS 221.A NE2 GLN 145.A OE1 no hydrogen 2.769 N/A MET 222.A N HIS 219.A O no hydrogen 2.953 N/A CYS 223.A N SER 170.A OG no hydrogen 2.854 N/A CYS 223.A SG SER 170.A O no hydrogen 3.944 N/A CYS 223.A SG HIS 221.A O no hydrogen 4.032 N/A HIS 224.A N HIS 135.A O no hydrogen 2.964 N/A HIS 224.A ND1 MET 222.A O no hydrogen 2.976 N/A LYS 225.A N ALA 165.A O no hydrogen 3.009 N/A SER 226.A N THR 132.A O no hydrogen 3.040 N/A SER 226.A OG THR 132.A OG1 no hydrogen 2.833 N/A ILE 227.A N GLY 163.A O no hydrogen 2.875 N/A ASN 229.A ND2 TYR 117.A O no hydrogen 2.939 N/A ASN 229.A ND2 LEU 236.A O no hydrogen 2.687 N/A LEU 230.A N GLU 160.A O no hydrogen 2.854 N/A SER 231.A N ASN 229.A OD1 no hydrogen 3.056 N/A SER 231.A OG ASN 229.A OD1 no hydrogen 2.823 N/A SER 231.A OG LEU 236.A O no hydrogen 3.095 N/A ARG 235.A NH1 ALA 121.A O no hydrogen 3.440 N/A LEU 236.A N SER 231.A OG no hydrogen 2.868 N/A ARG 238.A N TYR 117.A O no hydrogen 2.823 N/A ARG 238.A NH1 SER 240.A OG no hydrogen 2.965 N/A SER 240.A N ARG 115.A O no hydrogen 2.959 N/A MET 241.A N ILE 152.A O no hydrogen 3.048 N/A ASP 242.A N THR 113.A O no hydrogen 2.926 N/A THR 243.A N PHE 150.A O no hydrogen 2.975 N/A THR 243.A OG1 SER 111.A O no hydrogen 2.845 N/A ARG 244.A NE ASP 137.A OD2 no hydrogen 2.960 N/A ARG 244.A NH1 ASP 137.A OD2 no hydrogen 2.810 N/A ARG 244.A NH1 ASP 242.A OD2 no hydrogen 2.833 N/A ARG 244.A NH2 ASP 242.A O no hydrogen 3.148 N/A ARG 244.A NH2 ASP 242.A OD2 no hydrogen 2.844 N/A VAL 245.A N ARG 148.A O no hydrogen 2.865 N/A GLN 246.A N PHE 107.A O no hydrogen 2.978 N/A GLN 246.A NE2 SER 250.A O no hydrogen 3.540 N/A GLN 246.A NE2 HIS 251.A O no hydrogen 2.785 N/A ALA 248.A N PRO 105.A O no hydrogen 2.811 N/A SER 250.A N PRO 247.A O no hydrogen 3.068 N/A SER 250.A OG ASP 146.A OD2 no hydrogen 2.626 N/A ARG 252.A NH2 ALA 248.A O no hydrogen 3.020 N/A MET 257.A N GLY 253.A O no hydrogen 3.032 N/A MET 257.A N PHE 254.A O no hydrogen 3.136 N/A THR 258.A N ASN 255.A O no hydrogen 3.443 N/A THR 258.A OG1 PHE 254.A O no hydrogen 2.785 N/A THR 261.A OG1 GLU 262.A OE2 no hydrogen 3.025 N/A GLU 262.A N PRO 259.A O no hydrogen 3.183 N/A SER 263.A N PRO 259.A O no hydrogen 3.320 N/A SER 263.A OG TRP 260.A O no hydrogen 3.318 N/A ALA 264.A N TRP 260.A O no hydrogen 2.861 N/A