Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rux_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NH1 THR 159.A O no hydrogen 2.841 N/A ARG 3.A NH1 ASP 174.A OD2 no hydrogen 2.919 N/A ARG 3.A NH2 ASP 174.A OD1 no hydrogen 2.796 N/A ARG 3.A NH2 ASP 174.A OD2 no hydrogen 3.399 N/A ASP 4.A N THR 1.A O no hydrogen 3.167 N/A ARG 5.A N ASP 2.A O no hydrogen 3.239 N/A LEU 6.A N ARG 3.A O no hydrogen 2.814 N/A ARG 7.A N ASP 4.A O no hydrogen 3.031 N/A ARG 7.A NE THR 159.A OG1 no hydrogen 2.824 N/A ARG 7.A NH1 THR 159.A O no hydrogen 2.944 N/A ARG 7.A NH1 GLU 164.A OE1 no hydrogen 2.941 N/A ARG 7.A NH1 GLU 164.A OE2 no hydrogen 3.546 N/A ARG 7.A NH2 GLU 164.A OE2 no hydrogen 3.288 N/A LEU 10.A N GLU 60.A OE2 no hydrogen 2.715 N/A ASP 11.A N ASN 183.A OD1.A no hydrogen 2.835 N/A ASP 11.A N ASN 183.A OD1.B no hydrogen 2.607 N/A SER 14.A N ASP 11.A OD1 no hydrogen 3.126 N/A LEU 15.A N ASP 11.A O no hydrogen 3.067 N/A ARG 16.A N GLU 12.A O no hydrogen 2.959 N/A ARG 16.A NE LEU 29.A O no hydrogen 2.763 N/A ARG 16.A NH2 LEU 29.A O no hydrogen 3.141 N/A ARG 16.A NH2 ASP 30.A OD1 no hydrogen 2.831 N/A ASP 17.A N ARG 13.A O no hydrogen 2.901 N/A GLN 18.A N SER 14.A O no hydrogen 2.957 N/A GLN 18.A NE2 SER 14.A O no hydrogen 3.446 N/A GLN 18.A NE2 SER 14.A OG no hydrogen 3.187 N/A LEU 19.A N LEU 15.A O no hydrogen 2.821 N/A LEU 19.A N ARG 16.A O no hydrogen 3.262 N/A ILE 20.A N ARG 16.A O no hydrogen 2.933 N/A SER 24.A N GLY 21.A O no hydrogen 3.015 N/A SER 24.A OG LEU 19.A O no hydrogen 2.510 N/A GLY 25.A N GLU 194.A OE1 no hydrogen 2.713 N/A GLY 25.A N GLU 194.A OE2 no hydrogen 3.317 N/A TRP 26.A NE1 LEU 190.A O no hydrogen 3.145 N/A ARG 27.A N GLY 54.A O no hydrogen 2.834 N/A ARG 27.A NE ASP 53.A O no hydrogen 2.892 N/A ARG 27.A NH1 ASP 51.A O no hydrogen 2.678 N/A ARG 27.A NH1 ASP 53.A O no hydrogen 2.863 N/A GLN 28.A NE2 ASP 30.A OD2 no hydrogen 2.853 N/A ASP 30.A N VAL 56.A O no hydrogen 3.073 N/A VAL 31.A N GLU 12.A OE2 no hydrogen 2.807 N/A VAL 32.A N ILE 58.A O no hydrogen 2.807 N/A THR 35.A N HIS 61.A O no hydrogen 3.279 N/A THR 35.A OG1 ASP 41.A OD1 no hydrogen 3.414 N/A THR 35.A OG1 ASP 41.A OD2 no hydrogen 2.487 N/A THR 38.A N GLN 62.A OE1 no hydrogen 2.901 N/A THR 38.A OG1 GLN 62.A OE1 no hydrogen 3.429 N/A THR 38.A OG1 SER 84.A OG no hydrogen 2.631 N/A ASN 39.A ND2 LEU 142.A O no hydrogen 3.247 N/A ASN 39.A ND2 GLU 144.A OE1 no hydrogen 2.945 N/A ALA 40.A N SER 37.A OG no hydrogen 3.227 N/A ASP 41.A N SER 37.A O no hydrogen 2.946 N/A LEU 42.A N THR 38.A O no hydrogen 3.096 N/A LEU 43.A N ASN 39.A O no hydrogen 3.044 N/A ALA 44.A N ALA 40.A O no hydrogen 2.871 N/A ARG 45.A N ASP 41.A O no hydrogen 3.020 N/A ALA 46.A N LEU 42.A O no hydrogen 3.052 N/A ALA 47.A N LEU 43.A O no hydrogen 2.898 N/A SER 48.A N ALA 44.A O no hydrogen 3.154 N/A SER 48.A N ARG 45.A O no hydrogen 3.108 N/A GLY 49.A N ALA 46.A O no hydrogen 3.074 N/A ALA 50.A N ARG 45.A O no hydrogen 3.012 N/A ASP 53.A N ASP 51.A OD1 no hydrogen 3.102 N/A GLY 54.A N GLY 86.A O no hydrogen 2.934 N/A VAL 55.A N ILE 52.A O no hydrogen 2.999 N/A VAL 56.A N GLN 28.A O no hydrogen 2.775 N/A LEU 57.A N SER 84.A O no hydrogen 2.926 N/A ILE 58.A N ASP 30.A O no hydrogen 2.786 N/A ALA 59.A N ILE 82.A O no hydrogen 2.868 N/A GLU 60.A N VAL 32.A O no hydrogen 2.934 N/A THR 63.A N THR 35.A O no hydrogen 2.874 N/A THR 63.A OG1 THR 35.A O no hydrogen 3.440 N/A ALA 64.A N GLY 36.A O no hydrogen 2.830 N/A ARG 66.A NH2 GLU 144.A OE1 no hydrogen 2.837 N/A GLY 67.A N ARG 71.A O no hydrogen 2.756 N/A ARG 68.A NH1 GLY 259.A O no hydrogen 3.347 N/A ARG 68.A NH2 ASP 260.A OD1 no hydrogen 2.934 N/A ARG 71.A N ARG 68.A O no hydrogen 3.003 N/A ARG 71.A NH1 ASP 260.A OD2 no hydrogen 2.909 N/A ARG 71.A NH2 ASP 260.A OD1 no hydrogen 2.712 N/A ARG 71.A NH2 ASP 260.A OD2 no hydrogen 3.522 N/A TRP 73.A N GLY 65.A O no hydrogen 3.121 N/A TRP 73.A NE1 GLN 80.A OE1 no hydrogen 2.933 N/A THR 76.A N GLN 160.A OE1 no hydrogen 3.011 N/A ARG 78.A N GLU 60.A O no hydrogen 2.797 N/A ARG 78.A NH1 ASP 4.A OD1 no hydrogen 3.129 N/A ARG 78.A NH2 ASP 4.A OD1 no hydrogen 3.341 N/A ARG 78.A NH2 ARG 7.A O no hydrogen 2.653 N/A ALA 79.A N THR 76.A O no hydrogen 3.361 N/A GLN 80.A NE2 ALA 74.A O no hydrogen 2.872 N/A GLN 80.A NE2 GLN 160.A OE1 no hydrogen 2.935 N/A ILE 81.A N LEU 156.A O no hydrogen 2.951 N/A LEU 83.A N VAL 154.A O no hydrogen 3.025 N/A SER 84.A N LEU 57.A O no hydrogen 2.926 N/A SER 84.A OG THR 38.A OG1 no hydrogen 2.631 N/A SER 84.A OG ASN 39.A OD1 no hydrogen 2.555 N/A VAL 85.A N LEU 152.A O no hydrogen 2.937 N/A GLY 86.A N VAL 55.A O no hydrogen 3.054 N/A VAL 87.A N VAL 150.A O no hydrogen 2.939 N/A ARG 88.A N ASP 53.A OD1 no hydrogen 2.927 N/A ARG 88.A NH2 ASP 91.A OD1.B no hydrogen 3.564 N/A VAL 89.A N PRO 148.A O no hydrogen 2.891 N/A ASP 91.A N ASP 91.A OD1.A no hydrogen 2.624 N/A VAL 92.A N VAL 89.A O no hydrogen 2.874 N/A ALA 96.A N PRO 93.A O no hydrogen 2.924 N/A TRP 97.A N VAL 94.A O no hydrogen 3.239 N/A TRP 97.A NE1 VAL 92.A O no hydrogen 2.695 N/A TRP 99.A N ALA 96.A O no hydrogen 3.023 N/A TRP 99.A NE1 ASP 240.A O no hydrogen 3.032 N/A LEU 100.A N TRP 97.A O no hydrogen 3.102 N/A SER 101.A OG ASN 129.A OD1.B no hydrogen 1.836 N/A ALA 103.A N TRP 99.A O no hydrogen 2.908 N/A ALA 104.A N LEU 100.A O no hydrogen 3.108 N/A GLY 105.A N SER 101.A O no hydrogen 3.337 N/A LEU 106.A N LEU 102.A O no hydrogen 3.167 N/A ALA 107.A N ALA 103.A O no hydrogen 2.994 N/A VAL 108.A N ALA 104.A O no hydrogen 3.043 N/A LEU 109.A N GLY 105.A O no hydrogen 2.888 N/A ASP 110.A N LEU 106.A O no hydrogen 2.926 N/A SER 111.A N ALA 107.A O no hydrogen 3.004 N/A SER 111.A N VAL 108.A O no hydrogen 3.121 N/A SER 111.A OG VAL 108.A O no hydrogen 2.641 N/A VAL 112.A N LEU 109.A O no hydrogen 3.220 N/A ALA 113.A N LEU 109.A O no hydrogen 2.896 N/A LEU 115.A N VAL 112.A O no hydrogen 2.969 N/A THR 123.A OG1 PRO 120.A O no hydrogen 2.825 N/A GLY 124.A N LEU 132.A O no hydrogen 2.876 N/A LEU 125.A N ARG 214.A O no hydrogen 2.775 N/A LYS 126.A N ASP 130.A O no hydrogen 2.898 N/A LYS 126.A NZ VAL 261.A O no hydrogen 2.918 N/A TRP 127.A N THR 217.A OG1 no hydrogen 3.032 N/A TRP 127.A NE1 GLY 243.A O no hydrogen 3.023 N/A ASN 129.A ND2.A ILE 141.A O no hydrogen 2.982 N/A ASN 129.A ND2.B SER 101.A O no hydrogen 2.849 N/A ASP 130.A N LYS 126.A O no hydrogen 3.061 N/A VAL 131.A N ALA 139.A O no hydrogen 3.039 N/A LEU 132.A N GLY 124.A O no hydrogen 2.780 N/A ALA 133.A N GLY 136.A O no hydrogen 2.902 N/A ARG 134.A N THR 123.A OG1 no hydrogen 3.265 N/A GLY 135.A N GLU 122.A O no hydrogen 3.159 N/A GLY 136.A N ALA 133.A O no hydrogen 2.877 N/A LYS 137.A N ASP 168.A O no hydrogen 2.857 N/A LYS 137.A NZ ASP 130.A OD1 no hydrogen 2.845 N/A LYS 137.A NZ ASP 130.A OD2 no hydrogen 3.426 N/A LEU 138.A N VAL 131.A O no hydrogen 2.793 N/A ALA 139.A N VAL 131.A O no hydrogen 3.300 N/A GLY 140.A N GLY 155.A O no hydrogen 3.004 N/A ILE 141.A N ASN 129.A O.A no hydrogen 3.089 N/A ILE 141.A N ASN 129.A O.B no hydrogen 3.268 N/A LEU 142.A N GLY 153.A O no hydrogen 2.899 N/A GLU 144.A N VAL 151.A O no hydrogen 2.913 N/A ALA 146.A N PHE 149.A O no hydrogen 2.735 N/A PHE 149.A N ALA 146.A O no hydrogen 2.899 N/A VAL 150.A N VAL 87.A O no hydrogen 2.862 N/A VAL 151.A N GLU 144.A O no hydrogen 2.758 N/A LEU 152.A N VAL 85.A O no hydrogen 2.940 N/A GLY 153.A N LEU 142.A O no hydrogen 2.676 N/A VAL 154.A N LEU 83.A O no hydrogen 2.794 N/A GLY 155.A N GLY 140.A O no hydrogen 3.031 N/A LEU 156.A N ILE 81.A O no hydrogen 2.930 N/A ASN 157.A N LEU 138.A O no hydrogen 2.875 N/A ASN 157.A ND2 LYS 137.A O no hydrogen 3.276 N/A ASN 157.A ND2 THR 170.A O no hydrogen 3.137 N/A VAL 158.A N ALA 79.A O no hydrogen 3.057 N/A THR 159.A N ALA 79.A O no hydrogen 2.978 N/A GLN 160.A NE2 THR 76.A OG1 no hydrogen 2.734 N/A GLN 160.A NE2 GLU 164.A OE1 no hydrogen 2.941 N/A ALA 161.A N GLU 164.A OE1 no hydrogen 2.822 N/A GLU 164.A N ALA 161.A O no hydrogen 2.783 N/A VAL 165.A N PRO 162.A O no hydrogen 3.088 N/A ASP 166.A N PRO 162.A O no hydrogen 2.941 N/A ASP 168.A N ASP 166.A OD2 no hydrogen 2.974 N/A ALA 169.A N ASP 166.A O no hydrogen 3.154 N/A THR 170.A N LYS 137.A O no hydrogen 3.080 N/A SER 171.A OG ASP 174.A OD2 no hydrogen 2.714 N/A LEU 172.A N ASN 157.A O no hydrogen 3.216 N/A LEU 173.A N VAL 158.A O no hydrogen 3.039 N/A ASP 174.A N SER 171.A OG no hydrogen 3.108 N/A LEU 175.A N LEU 172.A O no hydrogen 2.998 N/A GLY 176.A N LEU 173.A O no hydrogen 3.040 N/A VAL 177.A N LEU 172.A O no hydrogen 2.974 N/A ARG 182.A NH1 GLU 60.A OE1 no hydrogen 3.030 N/A ARG 182.A NH1 GLN 80.A O no hydrogen 2.990 N/A ARG 182.A NH2 PRO 8.A O no hydrogen 2.970 N/A ARG 182.A NH2 GLU 60.A OE1 no hydrogen 2.814 N/A ASN 183.A ND2.B ASP 11.A O no hydrogen 3.363 N/A ARG 184.A N ASP 181.A OD1 no hydrogen 3.140 N/A ILE 185.A N ASP 181.A O no hydrogen 2.945 N/A ALA 186.A N ARG 182.A O no hydrogen 2.748 N/A SER 187.A N ASN 183.A O.A no hydrogen 3.113 N/A SER 187.A N ASN 183.A O.B no hydrogen 3.130 N/A SER 187.A OG GLN 18.A OE1 no hydrogen 3.190 N/A ARG 188.A N ARG 184.A O no hydrogen 3.017 N/A ARG 188.A NE SER 111.A O no hydrogen 3.034 N/A ARG 188.A NH1 SER 111.A O no hydrogen 3.044 N/A LEU 189.A N ILE 185.A O no hydrogen 2.782 N/A LEU 190.A N ALA 186.A O no hydrogen 3.031 N/A ARG 191.A N SER 187.A O no hydrogen 3.047 N/A GLU 192.A N ARG 188.A O no hydrogen 2.919 N/A LEU 193.A N LEU 189.A O no hydrogen 2.815 N/A GLU 194.A N LEU 190.A O no hydrogen 2.988 N/A ALA 195.A N ARG 191.A O no hydrogen 3.267 N/A ARG 196.A N GLU 192.A O no hydrogen 3.045 N/A ARG 196.A NH1 GLN 199.A OE1 no hydrogen 2.811 N/A ARG 196.A NH1 ASP 210.A OD2 no hydrogen 2.948 N/A ARG 196.A NH2 ASP 110.A OD2 no hydrogen 3.232 N/A ARG 196.A NH2 ASP 210.A OD2 no hydrogen 3.015 N/A ILE 197.A N LEU 193.A O no hydrogen 2.923 N/A ILE 198.A N GLU 194.A O no hydrogen 2.994 N/A GLN 199.A N ALA 195.A O no hydrogen 2.964 N/A TRP 200.A N ARG 196.A O no hydrogen 2.876 N/A TRP 200.A NE1 ALA 96.A O no hydrogen 2.907 N/A ARG 201.A N ILE 197.A O no hydrogen 2.869 N/A ARG 201.A NH1 ARG 88.A O no hydrogen 2.776 N/A ARG 201.A NH1 ASP 91.A OD2.A no hydrogen 2.914 N/A ARG 201.A NH2 ARG 88.A O no hydrogen 3.104 N/A ASN 202.A N ILE 198.A O no hydrogen 3.110 N/A ASN 202.A N GLN 199.A O no hydrogen 3.198 N/A ASN 202.A ND2 ILE 198.A O no hydrogen 2.950 N/A ALA 203.A N TRP 200.A O no hydrogen 3.084 N/A ASN 204.A N GLN 199.A O no hydrogen 2.908 N/A GLN 206.A N ASN 204.A OD1 no hydrogen 2.925 N/A GLN 206.A NE2 ASP 210.A OD2 no hydrogen 3.030 N/A LEU 207.A N ASN 204.A O no hydrogen 3.149 N/A ALA 209.A N PRO 205.A O.A no hydrogen 3.101 N/A ALA 209.A N PRO 205.A O.B no hydrogen 3.122 N/A ASP 210.A N GLN 206.A O no hydrogen 2.769 N/A TYR 211.A N LEU 207.A O no hydrogen 2.904 N/A ARG 212.A N ALA 208.A O no hydrogen 2.910 N/A ARG 212.A NE ASP 238.A OD1 no hydrogen 3.035 N/A ARG 212.A NH2 ASP 238.A OD1 no hydrogen 2.643 N/A ARG 212.A NH2 ASP 238.A OD2 no hydrogen 3.314 N/A ALA 213.A N ALA 209.A O no hydrogen 3.106 N/A ARG 214.A N TYR 211.A O no hydrogen 3.041 N/A ARG 214.A NH2 ASP 110.A OD1 no hydrogen 2.508 N/A SER 215.A N ARG 212.A O no hydrogen 3.225 N/A LEU 216.A N LEU 125.A O no hydrogen 2.800 N/A THR 217.A N SER 215.A OG no hydrogen 3.212 N/A THR 217.A OG1 HIS 263.A NE2 no hydrogen 2.824 N/A ILE 218.A N SER 215.A OG no hydrogen 3.015 N/A GLY 219.A N ALA 236.A O no hydrogen 2.683 N/A SER 220.A N THR 217.A O no hydrogen 2.891 N/A SER 220.A OG.A ARG 221.A O no hydrogen 2.983 N/A SER 220.A OG.B LEU 216.A O no hydrogen 2.719 N/A ARG 221.A NH1 ARG 265.A OXT no hydrogen 2.941 N/A VAL 222.A N GLY 234.A O no hydrogen 2.814 N/A ARG 223.A N VAL 262.A O no hydrogen 2.976 N/A ARG 223.A NE GLU 225.A OE2.A no hydrogen 3.298 N/A ARG 223.A NH1 GLU 225.A OE2.A no hydrogen 3.551 N/A VAL 224.A N VAL 232.A O no hydrogen 2.796 N/A GLU 225.A N.A ASP 260.A O no hydrogen 2.872 N/A GLU 225.A N.B ASP 260.A O no hydrogen 2.866 N/A LEU 226.A N GLN 230.A O no hydrogen 2.706 N/A GLY 229.A N LEU 226.A O no hydrogen 2.963 N/A VAL 232.A N VAL 224.A O no hydrogen 2.995 N/A GLY 234.A N VAL 222.A O no hydrogen 3.024 N/A ILE 235.A N ASP 248.A O no hydrogen 2.934 N/A ALA 236.A N SER 220.A O no hydrogen 3.011 N/A ARG 237.A N CYS 246.A O no hydrogen 2.858 N/A ARG 237.A NH1 ASP 248.A OD2 no hydrogen 3.046 N/A ASP 240.A N ARG 244.A O no hydrogen 2.870 N/A GLN 242.A N ASP 240.A OD1 no hydrogen 2.770 N/A GLY 243.A N ASP 240.A O no hydrogen 2.943 N/A ARG 244.A N ASP 240.A OD1 no hydrogen 2.882 N/A ARG 244.A NE ASP 240.A OD2 no hydrogen 2.774 N/A ARG 244.A NH1 ASP 240.A OD2 no hydrogen 3.189 N/A LEU 245.A N VAL 256.A O no hydrogen 2.929 N/A CYS 246.A N ASP 238.A O no hydrogen 2.759 N/A CYS 246.A SG ARG 244.A O no hydrogen 3.984 N/A LEU 247.A N VAL 254.A O no hydrogen 2.813 N/A ASP 248.A N ILE 235.A O no hydrogen 2.718 N/A VAL 249.A N ARG 252.A O no hydrogen 2.728 N/A GLY 251.A N ASP 248.A OD1 no hydrogen 2.855 N/A ARG 252.A N VAL 249.A O no hydrogen 3.046 N/A VAL 254.A N LEU 247.A O no hydrogen 3.043 N/A VAL 256.A N LEU 245.A O no hydrogen 2.876 N/A ASP 260.A N GLU 225.A O.A no hydrogen 3.096 N/A ASP 260.A N GLU 225.A O.B no hydrogen 2.881 N/A VAL 262.A N ARG 223.A O no hydrogen 2.919 N/A HIS 263.A ND1 GLU 122.A OE2 no hydrogen 2.851 N/A HIS 263.A NE2 THR 217.A OG1 no hydrogen 2.824 N/A LEU 264.A N ARG 221.A O no hydrogen 2.847 N/A