Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xqo_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A OG ALA 1.A O no hydrogen 3.082 N/A GLN 5.A N ALA 1.A O no hydrogen 2.840 N/A GLN 5.A NE2 ALA 181.A O no hydrogen 2.889 N/A LEU 6.A N ALA 2.A O no hydrogen 2.977 N/A LYS 7.A N GLU 3.A O no hydrogen 3.125 N/A LYS 7.A NZ GLU 11.A OE1 no hydrogen 3.483 N/A LYS 7.A NZ GLU 11.A OE2 no hydrogen 2.537 N/A ARG 8.A N SER 4.A O no hydrogen 2.937 N/A VAL 9.A N GLN 5.A O no hydrogen 2.880 N/A ILE 10.A N LEU 6.A O no hydrogen 2.927 N/A GLU 11.A N LYS 7.A O no hydrogen 2.893 N/A THR 12.A N ARG 8.A O no hydrogen 2.955 N/A THR 12.A OG1 ARG 8.A O no hydrogen 2.792 N/A LEU 13.A N VAL 9.A O no hydrogen 2.882 N/A ARG 14.A N ILE 10.A O no hydrogen 2.901 N/A ARG 14.A NE GLU 208.A O no hydrogen 3.133 N/A ARG 14.A NH2 GLU 208.A O no hydrogen 3.217 N/A ARG 15.A N THR 12.A O no hydrogen 3.040 N/A ARG 15.A NE GLU 239.A OE2 no hydrogen 2.807 N/A ARG 15.A NH2 GLU 239.A OE2 no hydrogen 3.210 N/A LEU 16.A N LEU 13.A O no hydrogen 2.961 N/A GLY 17.A N GLU 20.A OE2 no hydrogen 2.832 N/A VAL 21.A N GLY 17.A O no hydrogen 3.224 N/A LEU 22.A N ILE 18.A O no hydrogen 2.964 N/A LYS 23.A N GLU 19.A O no hydrogen 3.062 N/A LEU 24.A N GLU 20.A O no hydrogen 3.026 N/A GLU 25.A N VAL 21.A O no hydrogen 3.051 N/A ARG 26.A N LYS 23.A O no hydrogen 3.178 N/A ARG 26.A NH1 LEU 22.A O no hydrogen 3.024 N/A ARG 26.A NH1 ASN 159.A OD1 no hydrogen 2.973 N/A ARG 26.A NH2 VAL 158.A O no hydrogen 2.971 N/A ARG 27.A N LEU 24.A O no hydrogen 2.923 N/A ASP 28.A N GLU 25.A O no hydrogen 3.076 N/A GLN 30.A N ASP 28.A OD1 no hydrogen 2.846 N/A GLN 30.A NE2 ASP 28.A OD2 no hydrogen 2.984 N/A ARG 32.A N ASP 28.A O no hydrogen 3.023 N/A ARG 32.A NE ARG 27.A O no hydrogen 3.181 N/A ARG 32.A NH2 ARG 27.A O no hydrogen 3.430 N/A ALA 33.A N PRO 29.A O no hydrogen 2.987 N/A VAL 34.A N GLN 30.A O no hydrogen 3.047 N/A CYS 35.A N TYR 31.A O no hydrogen 2.791 N/A ASN 36.A N ARG 32.A O no hydrogen 2.923 N/A VAL 37.A N ALA 33.A O no hydrogen 3.100 N/A VAL 38.A N VAL 34.A O no hydrogen 2.846 N/A LYS 39.A N CYS 35.A O no hydrogen 2.797 N/A ARG 40.A N ASN 36.A O no hydrogen 3.053 N/A ARG 40.A NH1 ARG 40.A O no hydrogen 3.058 N/A ARG 40.A NH2 GLU 79.A OE1.A no hydrogen 3.005 N/A HIS 41.A N VAL 37.A O no hydrogen 2.864 N/A HIS 41.A NE2 PHE 75.A O no hydrogen 2.762 N/A GLY 42.A N VAL 38.A O no hydrogen 2.798 N/A GLY 46.A N GLY 42.A O no hydrogen 2.847 N/A SER 47.A N GLU 43.A O no hydrogen 2.848 N/A SER 47.A OG.A GLU 43.A O no hydrogen 2.837 N/A SER 47.A OG.A THR 44.A O no hydrogen 3.194 N/A SER 47.A OG.B GLU 43.A O no hydrogen 2.618 N/A ARG 48.A N THR 44.A O no hydrogen 3.120 N/A ARG 48.A NH2 CYS 112.A O no hydrogen 2.861 N/A LEU 49.A N VAL 45.A O no hydrogen 2.934 N/A ALA 50.A N GLY 46.A O no hydrogen 2.961 N/A MET 51.A N SER 47.A O no hydrogen 2.881 N/A LEU 52.A N ARG 48.A O no hydrogen 2.924 N/A ASN 53.A N LEU 49.A O no hydrogen 2.955 N/A ALA 54.A N ALA 50.A O no hydrogen 2.926 N/A LEU 55.A N MET 51.A O no hydrogen 2.922 N/A ILE 56.A N LEU 52.A O no hydrogen 3.296 N/A ILE 56.A N ASN 53.A O no hydrogen 3.323 N/A SER 57.A N ALA 54.A O no hydrogen 3.090 N/A SER 57.A OG ASN 53.A O no hydrogen 2.665 N/A SER 57.A OG HIS 67.A NE2 no hydrogen 2.885 N/A LYS 63.A N LEU 60.A O no hydrogen 2.976 N/A GLU 66.A N GLU 66.A OE1 no hydrogen 2.836 N/A HIS 67.A N LYS 63.A O no hydrogen 2.910 N/A HIS 67.A NE2 SER 57.A OG no hydrogen 2.885 N/A TRP 68.A N GLY 64.A O no hydrogen 3.035 N/A GLU 69.A N GLU 65.A O no hydrogen 2.978 N/A TYR 70.A N GLU 66.A O no hydrogen 2.845 N/A PHE 71.A N HIS 67.A O no hydrogen 2.905 N/A GLY 72.A N TRP 68.A O no hydrogen 3.036 N/A LYS 73.A N GLU 69.A O no hydrogen 3.022 N/A LYS 73.A NZ GLU 69.A OE2 no hydrogen 2.636 N/A TYR 74.A N TYR 70.A O no hydrogen 2.796 N/A PHE 75.A N PHE 71.A O no hydrogen 3.113 N/A SER 76.A N GLY 72.A O no hydrogen 2.958 N/A SER 76.A OG.A GLY 72.A O no hydrogen 2.718 N/A GLN 77.A NE2 LYS 73.A O no hydrogen 3.531 N/A LEU 78.A N PHE 75.A O no hydrogen 3.487 N/A VAL 80.A N GLU 79.A OE1.B no hydrogen 2.977 N/A ILE 81.A N ASP 86.A OD2 no hydrogen 2.918 N/A ARG 85.A N ASP 82.A OD1 no hydrogen 2.989 N/A ASP 86.A N ASP 82.A O no hydrogen 2.846 N/A PHE 87.A N LEU 83.A O no hydrogen 2.847 N/A LEU 88.A N CYS 84.A O no hydrogen 2.924 N/A LYS 89.A N ARG 85.A O no hydrogen 3.028 N/A TYR 90.A N ASP 86.A O no hydrogen 3.018 N/A TYR 90.A OH ASN 53.A OD1 no hydrogen 2.745 N/A ILE 91.A N PHE 87.A O no hydrogen 2.935 N/A GLU 92.A N LEU 88.A O no hydrogen 3.200 N/A THR 93.A N LYS 89.A O no hydrogen 3.053 N/A THR 93.A N TYR 90.A O no hydrogen 3.076 N/A THR 93.A OG1 LYS 89.A O no hydrogen 2.738 N/A SER 94.A N TYR 90.A O no hydrogen 2.955 N/A PHE 96.A N SER 94.A OG no hydrogen 2.992 N/A ARG 104.A N GLY 100.A O no hydrogen 3.093 N/A ARG 104.A NE LEU 97.A O no hydrogen 3.014 N/A ARG 104.A NE ILE 99.A O no hydrogen 3.055 N/A ARG 104.A NH1 TYR 58.A O no hydrogen 2.782 N/A ARG 104.A NH2 TYR 58.A O no hydrogen 3.116 N/A ARG 104.A NH2 ARG 59.A O no hydrogen 2.890 N/A ARG 104.A NH2 ILE 99.A O no hydrogen 2.899 N/A LYS 105.A N VAL 101.A O no hydrogen 2.996 N/A LYS 105.A NZ GLU 92.A OE2 no hydrogen 2.508 N/A LYS 106.A N GLU 102.A O no hydrogen 3.019 N/A ARG 107.A N ALA 103.A O no hydrogen 2.931 N/A ARG 107.A NH1 LEU 55.A O no hydrogen 2.957 N/A ALA 108.A N ARG 104.A O no hydrogen 2.991 N/A LEU 109.A N LYS 105.A O no hydrogen 2.827 N/A LYS 110.A N LYS 106.A O no hydrogen 3.150 N/A ALA 111.A N ARG 107.A O no hydrogen 3.348 N/A ALA 111.A N ALA 108.A O no hydrogen 3.013 N/A CYS 112.A N LEU 109.A O no hydrogen 3.221 N/A CYS 112.A SG ALA 108.A O no hydrogen 3.405 N/A TYR 114.A N ALA 111.A O no hydrogen 3.117 N/A TYR 114.A OH GLN 127.A OE1 no hydrogen 2.691 N/A ASN 117.A N THR 124.A OG1 no hydrogen 2.983 N/A GLU 119.A N ASN 117.A OD1 no hydrogen 2.822 N/A ASP 120.A N ASN 117.A O no hydrogen 3.154 N/A LEU 123.A N ASP 120.A OD1 no hydrogen 3.090 N/A THR 124.A N ASP 120.A O no hydrogen 2.972 N/A THR 124.A OG1 ASN 117.A O no hydrogen 2.891 N/A THR 124.A OG1 ASP 120.A O no hydrogen 3.028 N/A LEU 125.A N LEU 121.A O no hydrogen 2.823 N/A ARG 126.A N GLY 122.A O no hydrogen 3.023 N/A GLN 127.A N LEU 123.A O no hydrogen 2.798 N/A LEU 128.A N THR 124.A O no hydrogen 2.839 N/A SER 129.A N LEU 125.A O no hydrogen 2.931 N/A SER 129.A OG.A ARG 126.A O no hydrogen 2.735 N/A SER 129.A OG.B ALA 134.A O no hydrogen 2.933 N/A HIS 130.A N ARG 126.A O no hydrogen 3.280 N/A HIS 130.A ND1 ARG 126.A O no hydrogen 2.821 N/A ILE 131.A N GLN 127.A O no hydrogen 2.965 N/A VAL 132.A N LEU 128.A O no hydrogen 2.858 N/A GLY 133.A N SER 129.A O no hydrogen 2.919 N/A ALA 134.A N SER 129.A O no hydrogen 3.205 N/A ARG 136.A NH1 GLU 137.A OE2 no hydrogen 3.057 N/A ARG 136.A NH2 ASP 165.A O no hydrogen 2.789 N/A GLN 138.A N ARG 135.A O no hydrogen 2.984 N/A THR 140.A N GLN 138.A OE1 no hydrogen 2.931 N/A THR 140.A OG1.A GLN 138.A OE1 no hydrogen 2.980 N/A VAL 142.A N GLN 138.A O no hydrogen 3.109 N/A PHE 143.A N LYS 139.A O no hydrogen 2.942 N/A THR 144.A N THR 140.A O no hydrogen 2.932 N/A THR 144.A OG1 THR 140.A O no hydrogen 2.754 N/A ILE 145.A N LEU 141.A O no hydrogen 3.130 N/A LYS 146.A N VAL 142.A O no hydrogen 3.163 N/A LYS 146.A NZ ASP 217.A OD2 no hydrogen 2.780 N/A LYS 146.A NZ THR 218.A OG1 no hydrogen 2.927 N/A ILE 147.A N PHE 143.A O no hydrogen 2.985 N/A LEU 148.A N THR 144.A O no hydrogen 2.858 N/A ASN 149.A N ILE 145.A O no hydrogen 2.951 N/A ASN 149.A ND2 ARG 160.A O no hydrogen 3.012 N/A TYR 150.A N LYS 146.A O no hydrogen 2.962 N/A TYR 150.A OH ASP 28.A OD2 no hydrogen 2.720 N/A ALA 151.A N ILE 147.A O no hydrogen 2.971 N/A TYR 152.A N LEU 148.A O no hydrogen 2.946 N/A TYR 152.A OH GLU 119.A OE2 no hydrogen 2.597 N/A MET 153.A N ASN 149.A O no hydrogen 2.896 N/A CYS 154.A N TYR 150.A O no hydrogen 2.952 N/A CYS 154.A SG.A CYS 35.A O no hydrogen 3.672 N/A CYS 154.A SG.B TYR 150.A O no hydrogen 3.402 N/A CYS 154.A SG.B ALA 151.A O no hydrogen 3.235 N/A SER 155.A N ALA 151.A O no hydrogen 2.918 N/A SER 155.A OG GLU 43.A OE1 no hydrogen 2.528 N/A ARG 156.A N TYR 152.A O no hydrogen 2.919 N/A ARG 156.A NE GLU 43.A OE1 no hydrogen 2.718 N/A ARG 156.A NH1 GLU 119.A OE2 no hydrogen 2.973 N/A ARG 156.A NH2 GLU 43.A OE2 no hydrogen 2.909 N/A GLY 157.A N MET 153.A O no hydrogen 2.884 N/A VAL 158.A N MET 153.A O no hydrogen 3.317 N/A ARG 160.A NE ASN 149.A OD1 no hydrogen 2.795 N/A ARG 160.A NH1 LEU 118.A O no hydrogen 2.852 N/A ARG 160.A NH2 LEU 118.A O no hydrogen 2.869 N/A ARG 160.A NH2 ASN 149.A OD1 no hydrogen 2.824 N/A LEU 162.A N HIS 215.A NE2 no hydrogen 2.890 N/A TYR 172.A OH GLU 189.A OE2 no hydrogen 2.716 N/A ARG 173.A NH2 ASP 171.A OD2 no hydrogen 3.172 N/A VAL 174.A N ASP 171.A OD1 no hydrogen 2.899 N/A ALA 175.A N ASP 171.A O no hydrogen 2.962 N/A ARG 176.A N TYR 172.A O no hydrogen 2.758 N/A LEU 177.A N ARG 173.A O no hydrogen 2.881 N/A THR 178.A N VAL 174.A O no hydrogen 2.938 N/A THR 178.A OG1 VAL 174.A O no hydrogen 2.740 N/A TRP 179.A N ALA 175.A O no hydrogen 3.026 N/A CYS 180.A N ARG 176.A O no hydrogen 2.802 N/A CYS 180.A SG ARG 176.A O no hydrogen 3.298 N/A ALA 181.A N LEU 177.A O no hydrogen 3.018 N/A GLY 182.A N TRP 179.A O no hydrogen 2.876 N/A LEU 183.A N THR 178.A O no hydrogen 3.117 N/A ALA 191.A N PRO 187.A O no hydrogen 2.889 N/A LEU 192.A N PRO 188.A O no hydrogen 2.829 N/A ARG 193.A N GLU 189.A O no hydrogen 3.271 N/A ARG 194.A N GLU 190.A O no hydrogen 2.835 N/A ARG 194.A NH1 GLU 190.A OE2 no hydrogen 2.946 N/A ALA 197.A N ARG 194.A O no hydrogen 2.936 N/A GLN 199.A N TYR 195.A O no hydrogen 2.910 N/A GLN 199.A NE2 GLU 137.A O no hydrogen 2.913 N/A GLN 199.A NE2 ILE 168.A O no hydrogen 2.936 N/A LYS 200.A N GLU 196.A O no hydrogen 2.906 N/A ILE 201.A N ALA 197.A O no hydrogen 3.293 N/A TRP 202.A N VAL 198.A O no hydrogen 3.186 N/A TRP 202.A NE1 THR 178.A OG1 no hydrogen 2.901 N/A ASP 203.A N GLN 199.A O no hydrogen 2.819 N/A ALA 204.A N LYS 200.A O no hydrogen 3.102 N/A VAL 205.A N ILE 201.A O no hydrogen 3.045 N/A ALA 206.A N TRP 202.A O no hydrogen 2.823 N/A ARG 207.A N ASP 203.A O no hydrogen 2.946 N/A GLU 208.A N ALA 204.A O no hydrogen 3.173 N/A THR 209.A N VAL 205.A O no hydrogen 2.925 N/A THR 209.A N ALA 206.A O no hydrogen 3.312 N/A THR 209.A OG1 VAL 205.A O no hydrogen 2.781 N/A THR 209.A OG1 ALA 206.A O no hydrogen 3.416 N/A GLY 210.A N ALA 206.A O no hydrogen 2.858 N/A ILE 211.A N THR 209.A OG1 no hydrogen 3.251 N/A HIS 215.A N PRO 212.A O no hydrogen 2.884 N/A HIS 215.A ND1 GLU 25.A OE2 no hydrogen 2.776 N/A LEU 216.A N PRO 212.A O no hydrogen 2.914 N/A ASP 217.A N PRO 213.A O no hydrogen 2.995 N/A THR 218.A N HIS 215.A O no hydrogen 2.983 N/A THR 218.A OG1 GLU 25.A OE2 no hydrogen 2.748 N/A LEU 220.A N LEU 216.A O no hydrogen 2.932 N/A TRP 221.A N ASP 217.A O no hydrogen 2.914 N/A TRP 221.A NE1.A GLU 65.A OE2 no hydrogen 2.986 N/A LEU 222.A N THR 218.A O no hydrogen 3.185 N/A ALA 223.A N LEU 219.A O no hydrogen 2.891 N/A GLY 224.A N LEU 220.A O no hydrogen 2.848 N/A ARG 225.A N TRP 221.A O no hydrogen 3.011 N/A ARG 225.A NE GLU 231.A OE1 no hydrogen 2.817 N/A ARG 225.A NH2 GLU 231.A OE1 no hydrogen 3.146 N/A ALA 226.A N LEU 222.A O no hydrogen 3.234 N/A VAL 227.A N ALA 223.A O no hydrogen 2.876 N/A LEU 228.A N GLY 224.A O no hydrogen 2.869 N/A TYR 229.A N ARG 225.A O no hydrogen 3.315 N/A GLY 230.A N ALA 226.A O no hydrogen 3.135 N/A GLU 231.A N ARG 225.A O no hydrogen 2.857 N/A HIS 234.A N ASN 232.A OD1 no hydrogen 3.035 N/A GLU 239.A N GLU 239.A OE1 no hydrogen 2.799 N/A VAL 240.A N PRO 237.A O no hydrogen 2.950 N/A ILE 241.A N PRO 237.A O no hydrogen 3.198 N/A ALA 242.A N LYS 238.A O no hydrogen 2.959 N/A LEU 243.A N VAL 240.A O no hydrogen 3.111 N/A PHE 244.A N ILE 241.A O no hydrogen 3.059 N/A GLN 245.A N ALA 242.A O no hydrogen 3.103 N/A GLN 245.A NE2 CYS 250.A O no hydrogen 3.595 N/A ARG 247.A N CYS 180.A O no hydrogen 3.109 N/A ARG 247.A NH1 TRP 179.A O no hydrogen 2.708 N/A ARG 247.A NH1 ILE 184.A O no hydrogen 2.672 N/A ARG 247.A NH2 ILE 184.A O no hydrogen 3.411 N/A CYS 250.A N ARG 247.A O no hydrogen 3.112 N/A ARG 251.A NH1 GLN 245.A O no hydrogen 2.926 N/A ARG 251.A NH1 CYS 250.A O no hydrogen 3.194 N/A