Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7rua_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 4.A N ARG 1.A O no hydrogen 2.842 N/A VAL 6.A N ARG 3.A O no hydrogen 2.950 N/A ARG 8.A N GLY 4.A O no hydrogen 2.963 N/A VAL 9.A N GLY 5.A O no hydrogen 2.865 N/A GLU 10.A N VAL 6.A O no hydrogen 2.900 N/A GLY 11.A N GLN 7.A O no hydrogen 2.928 N/A LYS 12.A N ARG 8.A O no hydrogen 2.890 N/A LEU 13.A N VAL 9.A O no hydrogen 2.863 N/A ARG 14.A N GLU 10.A O no hydrogen 2.942 N/A ARG 14.A NH1 GLU 10.A OE2 no hydrogen 2.461 N/A ARG 14.A NH2 GLU 10.A OE2 no hydrogen 2.708 N/A ALA 15.A N GLY 11.A O no hydrogen 2.929 N/A SER 16.A N LYS 12.A O no hydrogen 2.855 N/A SER 16.A OG LYS 12.A O no hydrogen 2.882 N/A VAL 17.A N LEU 13.A O no hydrogen 2.911 N/A GLU 18.A N ARG 14.A O no hydrogen 2.932 N/A LYS 19.A N ALA 15.A O no hydrogen 2.887 N/A GLY 20.A N VAL 17.A O no hydrogen 3.094 N/A ASP 21.A N SER 16.A O no hydrogen 3.018 N/A ALA 25.A N ASP 21.A O no hydrogen 3.054 N/A HIS 26.A N TYR 22.A O no hydrogen 2.877 N/A HIS 26.A ND1 GLN 27.A OE1 no hydrogen 2.715 N/A GLN 27.A N TYR 23.A O no hydrogen 2.952 N/A MET 28.A N GLU 24.A O no hydrogen 2.926 N/A TYR 29.A N ALA 25.A O no hydrogen 2.817 N/A ARG 30.A N HIS 26.A O no hydrogen 2.971 N/A THR 31.A N GLN 27.A O no hydrogen 2.964 N/A THR 31.A OG1 MET 28.A O no hydrogen 2.558 N/A LEU 32.A N MET 28.A O no hydrogen 2.876 N/A PHE 33.A N TYR 29.A O no hydrogen 2.887 N/A PHE 34.A N ARG 30.A O no hydrogen 2.984 N/A ARG 35.A N THR 31.A O no hydrogen 2.924 N/A ARG 35.A NH1 THR 31.A O no hydrogen 3.253 N/A TYR 36.A N LEU 32.A O no hydrogen 2.873 N/A TYR 36.A OH GLU 10.A OE1 no hydrogen 3.221 N/A MET 37.A N PHE 33.A O no hydrogen 2.905 N/A SER 38.A N PHE 34.A O no hydrogen 2.921 N/A SER 38.A OG PHE 34.A O no hydrogen 2.858 N/A GLN 39.A N ARG 35.A O no hydrogen 3.202 N/A GLN 39.A N TYR 36.A O no hydrogen 2.935 N/A SER 40.A N MET 37.A O no hydrogen 2.771 N/A LYS 41.A N TYR 36.A O no hydrogen 3.021 N/A LYS 41.A NZ GLN 39.A OE1 no hydrogen 2.939 N/A THR 43.A OG1 GLU 44.A OE1 no hydrogen 2.723 N/A GLU 44.A N GLU 44.A OE1 no hydrogen 2.534 N/A ALA 45.A N LYS 41.A O no hydrogen 2.941 N/A ARG 46.A N HIS 42.A O no hydrogen 2.898 N/A ARG 46.A NE GLU 47.A OE2 no hydrogen 3.484 N/A ARG 46.A NH2 GLU 47.A OE2 no hydrogen 3.077 N/A GLU 47.A N THR 43.A O no hydrogen 2.924 N/A LEU 48.A N GLU 44.A O no hydrogen 2.911 N/A MET 49.A N ALA 45.A O no hydrogen 2.895 N/A TYR 50.A N ARG 46.A O no hydrogen 2.884 N/A TYR 50.A OH ASN 90.A O no hydrogen 3.067 N/A SER 51.A N GLU 47.A O no hydrogen 2.938 N/A SER 51.A OG GLU 47.A O no hydrogen 3.280 N/A SER 51.A OG LEU 48.A O no hydrogen 2.594 N/A GLY 52.A N LEU 48.A O no hydrogen 2.920 N/A ALA 53.A N MET 49.A O no hydrogen 2.880 N/A LEU 54.A N TYR 50.A O no hydrogen 2.933 N/A LEU 55.A N SER 51.A O no hydrogen 2.928 N/A PHE 56.A N GLY 52.A O no hydrogen 2.889 N/A PHE 57.A N ALA 53.A O no hydrogen 2.902 N/A SER 58.A N LEU 54.A O no hydrogen 2.920 N/A SER 58.A OG LEU 55.A O no hydrogen 2.505 N/A SER 58.A OG HIS 59.A ND1 no hydrogen 2.731 N/A HIS 59.A N LEU 55.A O no hydrogen 3.193 N/A HIS 59.A ND1 LEU 55.A O no hydrogen 2.703 N/A GLY 60.A N PHE 57.A O no hydrogen 3.092 N/A GLN 61.A N PHE 56.A O no hydrogen 2.768 N/A GLN 62.A NE2 LEU 97.A O no hydrogen 3.644 N/A ALA 65.A N GLN 61.A O no hydrogen 2.930 N/A ALA 66.A N GLN 62.A O no hydrogen 2.885 N/A ASP 67.A N ASN 63.A O no hydrogen 2.930 N/A LEU 68.A N SER 64.A O no hydrogen 2.931 N/A SER 69.A N ALA 65.A O no hydrogen 2.875 N/A SER 69.A OG ALA 65.A O no hydrogen 3.504 N/A SER 69.A OG ALA 66.A O no hydrogen 2.498 N/A MET 70.A N ALA 66.A O no hydrogen 2.915 N/A LEU 71.A N ASP 67.A O no hydrogen 2.940 N/A VAL 72.A N LEU 68.A O no hydrogen 2.883 N/A LEU 73.A N SER 69.A O no hydrogen 2.934 N/A GLU 74.A N MET 70.A O no hydrogen 2.882 N/A SER 75.A N LEU 71.A O no hydrogen 2.879 N/A SER 75.A OG VAL 72.A O no hydrogen 2.562 N/A LEU 76.A N VAL 72.A O no hydrogen 2.936 N/A GLU 77.A N LEU 73.A O no hydrogen 2.894 N/A LYS 78.A N GLU 74.A O no hydrogen 2.890 N/A ALA 79.A N SER 75.A O no hydrogen 3.157 N/A GLU 80.A N GLU 77.A O no hydrogen 3.081 N/A VAL 81.A N LEU 76.A O no hydrogen 3.401 N/A LEU 88.A N ALA 84.A O no hydrogen 3.083 N/A GLU 89.A N ASP 85.A O no hydrogen 2.907 N/A ASN 90.A N GLU 86.A O no hydrogen 2.900 N/A LEU 91.A N LEU 87.A O no hydrogen 2.905 N/A ALA 92.A N LEU 88.A O no hydrogen 2.881 N/A LYS 93.A N GLU 89.A O no hydrogen 2.890 N/A VAL 94.A N ASN 90.A O no hydrogen 2.963 N/A PHE 95.A N LEU 91.A O no hydrogen 2.878 N/A SER 96.A N ALA 92.A O no hydrogen 2.889 N/A SER 96.A OG LYS 93.A O no hydrogen 2.629 N/A LEU 97.A N LYS 93.A O no hydrogen 2.928 N/A MET 98.A N PHE 95.A O no hydrogen 3.214 N/A ASN 101.A N ASP 99.A OD1 no hydrogen 3.203 N/A SER 102.A N ASP 99.A O no hydrogen 3.057 N/A SER 102.A OG ASP 99.A O no hydrogen 2.709 N/A ARG 105.A NH1 MET 98.A O no hydrogen 2.835 N/A THR 107.A N PRO 103.A O no hydrogen 3.133 N/A PHE 108.A N GLU 104.A O no hydrogen 2.510 N/A VAL 109.A N ARG 105.A O no hydrogen 2.704 N/A SER 110.A N VAL 106.A O no hydrogen 3.162 N/A SER 110.A OG VAL 106.A O no hydrogen 2.626 N/A SER 110.A OG THR 107.A O no hydrogen 2.874 N/A ARG 111.A N THR 107.A O no hydrogen 3.145 N/A ARG 111.A NE GLU 77.A OE2 no hydrogen 2.867 N/A ARG 111.A NH2 GLU 77.A OE2 no hydrogen 3.274 N/A ALA 112.A N PHE 108.A O no hydrogen 2.613 N/A LEU 113.A N VAL 109.A O no hydrogen 2.656 N/A LYS 114.A N SER 110.A O no hydrogen 2.948 N/A LYS 114.A NZ GLY 118.A O no hydrogen 2.531 N/A TRP 115.A N ARG 111.A O no hydrogen 2.680 N/A TRP 115.A N ALA 112.A O no hydrogen 2.917 N/A SER 116.A N ALA 112.A O no hydrogen 3.059 N/A SER 116.A OG ALA 112.A O no hydrogen 3.435 N/A SER 116.A OG LEU 113.A O no hydrogen 3.276 N/A LEU 123.A N SER 120.A O no hydrogen 3.521 N/A LEU 128.A N HIS 125.A O no hydrogen 2.695 N/A HIS 129.A NE2 LYS 122.A O no hydrogen 3.254 N/A GLN 130.A N PRO 126.A O no hydrogen 2.867 N/A LEU 131.A N ARG 127.A O no hydrogen 2.899 N/A LEU 132.A N LEU 128.A O no hydrogen 2.924 N/A ALA 133.A N HIS 129.A O no hydrogen 2.880 N/A LEU 134.A N GLN 130.A O no hydrogen 2.870 N/A THR 135.A N LEU 131.A O no hydrogen 2.928 N/A THR 135.A OG1 LEU 131.A O no hydrogen 2.975 N/A LEU 136.A N LEU 132.A O no hydrogen 2.913 N/A TRP 137.A N ALA 133.A O no hydrogen 2.857 N/A LYS 138.A N LEU 134.A O no hydrogen 2.909 N/A GLU 139.A N THR 135.A O no hydrogen 2.916 N/A GLN 140.A N TRP 137.A O no hydrogen 2.795 N/A ASN 141.A N LEU 136.A O no hydrogen 2.665 N/A GLU 144.A N ASN 141.A OD1 no hydrogen 3.392 N/A SER 145.A N ASN 141.A O no hydrogen 2.935 N/A SER 145.A OG ALA 133.A O no hydrogen 2.824 N/A ARG 146.A N TYR 142.A O no hydrogen 2.859 N/A ARG 146.A NH1 GLN 185.A OE1 no hydrogen 2.706 N/A ARG 146.A NH2 GLN 185.A OE1 no hydrogen 3.150 N/A TYR 147.A N CYS 143.A O no hydrogen 2.938 N/A HIS 148.A N GLU 144.A O no hydrogen 2.907 N/A HIS 148.A ND1 GLU 144.A O no hydrogen 2.586 N/A PHE 149.A N SER 145.A O no hydrogen 2.883 N/A LEU 150.A N ARG 146.A O no hydrogen 2.878 N/A HIS 151.A N TYR 147.A O no hydrogen 2.959 N/A SER 152.A N PHE 149.A O no hydrogen 2.823 N/A SER 152.A OG PHE 149.A O no hydrogen 2.595 N/A ASP 154.A N SER 152.A OG no hydrogen 3.267 N/A GLY 157.A N ASP 154.A OD1 no hydrogen 3.213 N/A ALA 159.A N GLY 155.A O no hydrogen 2.575 N/A ASN 160.A N GLU 156.A O no hydrogen 2.938 N/A ASN 160.A ND2 GLU 156.A OE2 no hydrogen 2.528 N/A MET 161.A N GLY 157.A O no hydrogen 2.893 N/A LEU 162.A N CYS 158.A O no hydrogen 2.877 N/A VAL 163.A N ALA 159.A O no hydrogen 2.899 N/A GLU 164.A N ASN 160.A O no hydrogen 2.964 N/A TYR 165.A N MET 161.A O no hydrogen 2.840 N/A SER 166.A N LEU 162.A O no hydrogen 2.876 N/A SER 166.A OG LEU 162.A O no hydrogen 3.079 N/A SER 166.A OG VAL 163.A O no hydrogen 2.723 N/A SER 166.A OG HIS 206.A NE2 no hydrogen 3.216 N/A THR 167.A N VAL 163.A O no hydrogen 2.932 N/A THR 167.A OG1 VAL 163.A O no hydrogen 2.952 N/A THR 167.A OG1 GLU 164.A O no hydrogen 2.723 N/A SER 168.A N GLU 164.A O no hydrogen 2.892 N/A ARG 169.A N TYR 165.A O no hydrogen 2.786 N/A ARG 169.A NE SER 168.A OG no hydrogen 2.979 N/A GLY 170.A N TYR 165.A O no hydrogen 3.283 N/A PHE 171.A N GLU 174.A OE1 no hydrogen 2.659 N/A ARG 172.A NE ARG 172.A O no hydrogen 3.189 N/A ARG 172.A NH2 SER 208.A OG no hydrogen 2.662 N/A PHE 178.A N GLU 174.A O no hydrogen 2.971 N/A ALA 180.A N ASP 176.A O no hydrogen 2.942 N/A GLN 181.A N MET 177.A O no hydrogen 2.847 N/A ALA 182.A N PHE 178.A O no hydrogen 2.956 N/A VAL 183.A N VAL 179.A O no hydrogen 2.861 N/A LEU 184.A N ALA 180.A O no hydrogen 2.915 N/A GLN 185.A N GLN 181.A O no hydrogen 2.909 N/A PHE 186.A N ALA 182.A O no hydrogen 2.875 N/A LEU 187.A N VAL 183.A O no hydrogen 2.942 N/A CYS 188.A N LEU 184.A O no hydrogen 2.874 N/A CYS 188.A SG LEU 184.A O no hydrogen 3.322 N/A LEU 189.A N GLN 185.A O no hydrogen 2.899 N/A LEU 189.A N PHE 186.A O no hydrogen 2.851 N/A LYS 190.A N LEU 187.A O no hydrogen 2.780 N/A ASN 191.A N PHE 186.A O no hydrogen 3.167 N/A LYS 192.A NZ ASP 231.A OD1 no hydrogen 3.267 N/A SER 193.A OG ASN 191.A OD1 no hydrogen 3.258 N/A SER 194.A N ASN 191.A OD1 no hydrogen 2.885 N/A ALA 195.A N ASN 191.A O no hydrogen 3.379 N/A SER 196.A N LYS 192.A O no hydrogen 2.902 N/A SER 196.A OG SER 193.A O no hydrogen 2.683 N/A VAL 197.A N SER 193.A O no hydrogen 2.938 N/A VAL 198.A N SER 194.A O no hydrogen 2.900 N/A PHE 199.A N ALA 195.A O no hydrogen 2.927 N/A THR 200.A N SER 196.A O no hydrogen 2.938 N/A THR 200.A OG1 SER 196.A O no hydrogen 2.845 N/A THR 201.A N VAL 197.A O no hydrogen 2.908 N/A THR 201.A OG1 VAL 197.A O no hydrogen 2.618 N/A THR 201.A OG1 VAL 198.A O no hydrogen 2.872 N/A TYR 202.A N VAL 198.A O no hydrogen 2.864 N/A TYR 202.A OH VAL 175.A O no hydrogen 2.730 N/A THR 203.A N PHE 199.A O no hydrogen 2.933 N/A THR 203.A OG1 PHE 199.A O no hydrogen 2.886 N/A THR 203.A OG1 THR 200.A O no hydrogen 2.676 N/A GLN 204.A N THR 200.A O no hydrogen 2.905 N/A LYS 205.A N THR 201.A O no hydrogen 2.896 N/A HIS 206.A N TYR 202.A O no hydrogen 3.020 N/A HIS 206.A NE2 SER 166.A OG no hydrogen 3.216 N/A SER 208.A N HIS 206.A ND1 no hydrogen 3.164 N/A ILE 209.A N HIS 206.A O no hydrogen 3.265 N/A GLU 210.A N GLU 210.A OE1 no hydrogen 2.574 N/A PHE 215.A N PRO 213.A O no hydrogen 2.718 N/A ASN 221.A N GLU 217.A O no hydrogen 3.361 N/A ASN 221.A ND2 PHE 215.A O no hydrogen 2.487 N/A PHE 222.A N PRO 218.A O no hydrogen 2.884 N/A ILE 223.A N LEU 219.A O no hydrogen 2.888 N/A TRP 224.A N LEU 220.A O no hydrogen 2.916 N/A PHE 225.A N ASN 221.A O no hydrogen 2.921 N/A LEU 226.A N PHE 222.A O no hydrogen 2.837 N/A LEU 227.A N ILE 223.A O no hydrogen 2.887 N/A LEU 228.A N TRP 224.A O no hydrogen 2.981 N/A ALA 229.A N PHE 225.A O no hydrogen 2.858 N/A VAL 230.A N LEU 226.A O no hydrogen 2.869 N/A ASP 231.A N LEU 227.A O no hydrogen 2.938 N/A GLY 232.A N LEU 228.A O no hydrogen 2.896 N/A GLY 233.A N ALA 229.A O no hydrogen 2.365 N/A LYS 234.A NZ GLY 232.A O no hydrogen 3.174 N/A PHE 238.A N LYS 234.A O no hydrogen 3.295 N/A THR 239.A N LEU 235.A O no hydrogen 2.911 N/A THR 239.A OG1 LEU 235.A O no hydrogen 3.350 N/A THR 239.A OG1 THR 236.A O no hydrogen 2.545 N/A VAL 240.A N THR 236.A O no hydrogen 2.909 N/A LEU 241.A N VAL 237.A O no hydrogen 2.888 N/A CYS 242.A N PHE 238.A O no hydrogen 2.911 N/A CYS 242.A SG PHE 238.A O no hydrogen 3.275 N/A GLU 243.A N THR 239.A O no hydrogen 2.917 N/A GLN 244.A N VAL 240.A O no hydrogen 2.901 N/A TYR 245.A N LEU 241.A O no hydrogen 3.240 N/A GLN 246.A N GLU 243.A O no hydrogen 3.192 N/A GLN 246.A NE2 CYS 242.A O no hydrogen 2.638 N/A LEU 249.A N TYR 245.A O no hydrogen 2.928 N/A ARG 250.A N GLN 246.A O no hydrogen 2.887 N/A ARG 251.A N SER 248.A O no hydrogen 2.940 N/A ARG 251.A NH1 ASP 176.A OD2 no hydrogen 2.842 N/A ARG 251.A NH2 ASP 176.A OD1 no hydrogen 3.160 N/A ARG 251.A NH2 ASP 176.A OD2 no hydrogen 3.383 N/A TYR 255.A N ASP 252.A O no hydrogen 3.134 N/A ASN 256.A N PRO 253.A O no hydrogen 2.930 N/A ASN 256.A ND2 PRO 253.A O no hydrogen 2.919 N/A GLU 257.A N GLU 257.A OE1 no hydrogen 2.633 N/A TYR 258.A N MET 254.A O no hydrogen 3.323 N/A LEU 259.A N TYR 255.A O no hydrogen 2.898 N/A ASP 260.A N ASN 256.A O no hydrogen 2.886 N/A ARG 261.A N GLU 257.A O no hydrogen 2.963 N/A ILE 262.A N TYR 258.A O no hydrogen 2.825 N/A GLY 263.A N LEU 259.A O no hydrogen 2.745 N/A GLN 264.A N ASP 260.A O no hydrogen 3.185 N/A LEU 265.A N ARG 261.A O no hydrogen 2.580 N/A PHE 266.A N ILE 262.A O no hydrogen 2.635 N/A PHE 267.A N GLY 263.A O no hydrogen 2.931 N/A VAL 269.A N GLY 263.A O no hydrogen 2.893 N/A