Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5cqp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 18.A N LYS 15.A O no hydrogen 3.086 N/A CYS 20.A SG GLY 38.A O no hydrogen 3.371 N/A ARG 21.A NE ASP 23.A OD1 no hydrogen 2.858 N/A ARG 21.A NH1 ASP 23.A OD1 no hydrogen 3.321 N/A ARG 21.A NH1 ASP 23.A OD2 no hydrogen 2.776 N/A ARG 21.A NH1 VAL 255.A O no hydrogen 3.044 N/A ARG 21.A NH2 GLU 37.A O no hydrogen 2.992 N/A THR 28.A N ALA 32.A O no hydrogen 2.831 N/A THR 28.A OG1 ALA 32.A O no hydrogen 3.529 N/A TRP 30.A N THR 28.A OG1 no hydrogen 3.234 N/A TRP 30.A NE1 PRO 235.A O no hydrogen 2.786 N/A LEU 31.A N THR 28.A O no hydrogen 2.949 N/A ALA 32.A N THR 28.A OG1 no hydrogen 3.042 N/A ILE 34.A N VAL 26.A O no hydrogen 2.904 N/A VAL 35.A N VAL 238.A O no hydrogen 2.871 N/A TRP 36.A NE1 LEU 25.A O no hydrogen 2.998 N/A GLU 37.A N GLU 242.A OE1 no hydrogen 2.771 N/A THR 39.A N TRP 36.A O no hydrogen 3.098 N/A THR 39.A OG1 TRP 36.A O no hydrogen 2.709 N/A LEU 45.A N ASN 41.A O no hydrogen 3.332 N/A ASN 46.A N ILE 42.A O no hydrogen 2.737 N/A GLU 47.A N ASP 43.A O no hydrogen 3.142 N/A GLN 48.A N ILE 44.A O no hydrogen 2.990 N/A PHE 49.A N LEU 45.A O no hydrogen 2.958 N/A ARG 50.A N ASN 46.A O no hydrogen 2.891 N/A LEU 51.A N GLU 47.A O no hydrogen 2.935 N/A GLN 52.A N PHE 49.A O no hydrogen 3.131 N/A ASN 53.A N ARG 50.A O no hydrogen 2.889 N/A THR 54.A N PHE 49.A O no hydrogen 3.235 N/A THR 54.A OG1 PHE 49.A O no hydrogen 2.795 N/A THR 55.A N ASP 125.A OD2 no hydrogen 2.851 N/A ILE 56.A N ARG 86.A O no hydrogen 2.863 N/A GLY 57.A N TYR 126.A O no hydrogen 2.764 N/A LEU 58.A N HIS 88.A O no hydrogen 2.837 N/A THR 59.A N VAL 128.A O no hydrogen 2.792 N/A VAL 60.A N TYR 90.A O no hydrogen 3.073 N/A ALA 62.A N PHE 92.A O no hydrogen 2.747 N/A LYS 64.A N ASP 94.A OD1 no hydrogen 3.148 N/A LYS 64.A N ASP 94.A OD2 no hydrogen 2.873 N/A TYR 66.A N ILE 63.A O no hydrogen 2.946 N/A VAL 67.A N LYS 64.A O no hydrogen 3.361 N/A ALA 68.A N LYS 65.A O no hydrogen 3.303 N/A PHE 69.A N TYR 66.A O no hydrogen 3.029 N/A LEU 70.A N VAL 67.A O no hydrogen 3.281 N/A LYS 71.A NZ GLU 75.A OE1 no hydrogen 2.703 N/A PHE 73.A N PHE 69.A O no hydrogen 3.134 N/A LEU 74.A N LEU 70.A O no hydrogen 2.835 N/A GLU 75.A N LYS 71.A O no hydrogen 2.921 N/A THR 76.A N LEU 72.A O no hydrogen 2.905 N/A THR 76.A OG1 LEU 72.A O no hydrogen 2.782 N/A THR 76.A OG1 PHE 73.A O no hydrogen 3.204 N/A ALA 77.A N PHE 73.A O no hydrogen 2.919 N/A GLU 78.A N LEU 74.A O no hydrogen 2.958 N/A LYS 79.A N THR 76.A O no hydrogen 3.054 N/A HIS 80.A N THR 76.A O no hydrogen 3.069 N/A HIS 80.A N ALA 77.A O no hydrogen 3.252 N/A PHE 81.A N ALA 77.A O no hydrogen 2.857 N/A MET 82.A N VAL 140.A O no hydrogen 2.865 N/A HIS 85.A N MET 82.A O no hydrogen 2.972 N/A HIS 85.A NE2 ASN 46.A OD1 no hydrogen 2.776 N/A ARG 86.A NE THR 55.A OG1 no hydrogen 3.249 N/A VAL 87.A N GLY 107.A O no hydrogen 3.184 N/A HIS 88.A N ILE 56.A O no hydrogen 2.887 N/A HIS 88.A NE2 SER 111.A OG no hydrogen 2.822 N/A TYR 89.A N GLN 109.A O no hydrogen 2.746 N/A TYR 89.A OH GLU 78.A OE1 no hydrogen 2.576 N/A TYR 90.A N LEU 58.A O no hydrogen 2.809 N/A TYR 90.A OH GLU 123.A OE2 no hydrogen 2.635 N/A VAL 91.A N SER 111.A O no hydrogen 2.951 N/A PHE 92.A N VAL 60.A O no hydrogen 2.865 N/A THR 93.A N LEU 113.A O no hydrogen 3.000 N/A THR 93.A OG1 ALA 62.A O no hydrogen 2.703 N/A GLN 95.A N THR 93.A OG1 no hydrogen 3.099 N/A GLN 95.A NE2 LYS 64.A O no hydrogen 2.730 N/A GLN 95.A NE2 ASP 94.A OD1 no hydrogen 2.897 N/A ALA 98.A N GLN 95.A O no hydrogen 2.966 N/A VAL 99.A N PRO 96.A O no hydrogen 3.308 N/A GLY 105.A N GLU 78.A OE2 no hydrogen 2.708 N/A ARG 108.A NE GLU 78.A OE1 no hydrogen 2.708 N/A ARG 108.A NH1 PHE 81.A O no hydrogen 3.010 N/A ARG 108.A NH1 MET 82.A O no hydrogen 3.407 N/A ARG 108.A NH2 GLU 78.A OE1 no hydrogen 3.507 N/A ARG 108.A NH2 PHE 81.A O no hydrogen 2.764 N/A ARG 108.A NH2 TYR 89.A OH no hydrogen 2.942 N/A GLN 109.A N VAL 87.A O no hydrogen 2.898 N/A SER 111.A N TYR 89.A O no hydrogen 2.796 N/A SER 111.A OG HIS 88.A NE2 no hydrogen 2.822 N/A LEU 113.A N VAL 91.A O no hydrogen 2.873 N/A VAL 115.A N THR 93.A O no hydrogen 2.990 N/A ARG 119.A NE GLU 123.A OE2 no hydrogen 2.705 N/A ARG 119.A NH2 GLU 123.A OE2 no hydrogen 3.303 N/A LEU 121.A N ARG 118.A O no hydrogen 2.950 N/A SER 122.A N ARG 118.A O no hydrogen 3.324 N/A GLU 123.A N PHE 120.A O no hydrogen 3.235 N/A VAL 124.A N PHE 120.A O no hydrogen 2.968 N/A ASP 125.A N THR 55.A O no hydrogen 2.863 N/A TYR 126.A N THR 55.A O no hydrogen 3.302 N/A LEU 127.A N GLY 192.A O no hydrogen 2.820 N/A VAL 128.A N GLY 57.A O no hydrogen 2.811 N/A CYS 129.A N PHE 190.A O no hydrogen 2.804 N/A CYS 129.A SG THR 59.A OG1 no hydrogen 3.731 N/A VAL 130.A N THR 59.A O no hydrogen 3.239 N/A ASP 131.A N ALA 188.A O no hydrogen 3.204 N/A MET 134.A N VAL 132.A O no hydrogen 2.820 N/A GLU 135.A N THR 262.A O no hydrogen 2.865 N/A PHE 136.A N THR 76.A OG1 no hydrogen 2.986 N/A ARG 137.A N ARG 260.A O no hydrogen 2.770 N/A ARG 137.A NH1 GLN 247.A OE1 no hydrogen 3.202 N/A ARG 137.A NH2 GLN 247.A OE1 no hydrogen 2.556 N/A ASP 138.A N ARG 260.A O no hydrogen 3.228 N/A HIS 139.A N ASP 138.A OD1 no hydrogen 2.814 N/A HIS 139.A NE2 GLU 143.A OE2 no hydrogen 2.824 N/A VAL 140.A N HIS 80.A O no hydrogen 2.915 N/A GLY 141.A N GLU 143.A OE1 no hydrogen 2.990 N/A GLU 143.A N GLU 143.A OE2 no hydrogen 2.743 N/A ILE 144.A N GLY 141.A O no hydrogen 3.107 N/A LEU 145.A N VAL 142.A O no hydrogen 2.998 N/A THR 146.A OG1 THR 236.A OG1 no hydrogen 2.622 N/A LEU 148.A N THR 236.A OG1 no hydrogen 2.927 N/A PHE 149.A N GLY 191.A O no hydrogen 2.804 N/A THR 151.A OG1 PHE 189.A O no hydrogen 2.877 N/A LEU 152.A N LEU 239.A O no hydrogen 2.900 N/A HIS 153.A N TYR 184.A O no hydrogen 2.868 N/A PHE 156.A N HIS 153.A O no hydrogen 3.103 N/A SER 159.A N PHE 156.A O no hydrogen 2.987 N/A SER 159.A OG PHE 156.A O no hydrogen 3.459 N/A SER 160.A OG GLU 162.A OE1 no hydrogen 3.233 N/A ARG 161.A NE GLY 181.A O no hydrogen 2.973 N/A ARG 161.A NH1 GLY 181.A O no hydrogen 2.863 N/A ALA 163.A N SER 160.A O no hydrogen 3.056 N/A PHE 164.A N ARG 161.A O no hydrogen 3.216 N/A THR 165.A OG1 TYR 184.A OH no hydrogen 3.033 N/A TYR 166.A OH PHE 183.A O no hydrogen 2.691 N/A ARG 168.A NH1 ILE 176.A O no hydrogen 2.782 N/A ARG 168.A NH2 ARG 161.A O no hydrogen 2.866 N/A ARG 168.A NH2 PHE 164.A O no hydrogen 2.938 N/A ARG 169.A N GLU 167.A OE1 no hydrogen 2.777 N/A ARG 169.A NE GLU 167.A OE1 no hydrogen 2.823 N/A ARG 169.A NH2 GLU 167.A OE2 no hydrogen 2.865 N/A ARG 169.A NH2 GLU 217.A O no hydrogen 2.675 N/A SER 172.A N ARG 169.A O no hydrogen 3.006 N/A SER 172.A OG ASP 211.A OD2 no hydrogen 2.666 N/A GLN 173.A N ASP 211.A OD1 no hydrogen 2.848 N/A ALA 174.A N SER 172.A OG no hydrogen 3.129 N/A TYR 175.A N SER 172.A O no hydrogen 3.108 N/A ILE 176.A N GLU 167.A O no hydrogen 2.894 N/A GLU 180.A N PRO 177.A O no hydrogen 3.081 N/A TYR 184.A OH THR 165.A O no hydrogen 3.274 N/A TYR 185.A N ASN 227.A OD1 no hydrogen 2.891 N/A MET 186.A N THR 151.A O no hydrogen 2.995 N/A GLY 187.A N GLN 223.A OE1 no hydrogen 2.905 N/A PHE 190.A N CYS 129.A O no hydrogen 3.112 N/A GLY 191.A N PHE 149.A O no hydrogen 3.217 N/A GLY 192.A N LEU 127.A O no hydrogen 2.964 N/A SER 193.A N PRO 147.A O no hydrogen 2.912 N/A GLU 196.A N SER 193.A OG no hydrogen 3.094 N/A VAL 197.A N SER 193.A O no hydrogen 2.936 N/A GLN 198.A N VAL 194.A O no hydrogen 2.901 N/A ARG 199.A N GLN 195.A O no hydrogen 3.045 N/A ARG 199.A NH2 GLU 196.A OE2 no hydrogen 2.837 N/A LEU 200.A N GLU 196.A O no hydrogen 3.019 N/A THR 201.A N VAL 197.A O no hydrogen 2.970 N/A THR 201.A OG1 VAL 197.A O no hydrogen 3.305 N/A THR 201.A OG1 GLN 198.A O no hydrogen 3.330 N/A ARG 202.A N GLN 198.A O no hydrogen 2.953 N/A ALA 203.A N ARG 199.A O no hydrogen 2.993 N/A CYS 204.A N LEU 200.A O no hydrogen 2.920 N/A CYS 204.A SG LEU 200.A O no hydrogen 3.503 N/A HIS 205.A N THR 201.A O no hydrogen 2.990 N/A GLN 206.A N ARG 202.A O no hydrogen 3.013 N/A ALA 207.A N ALA 203.A O no hydrogen 3.010 N/A MET 208.A N CYS 204.A O no hydrogen 2.869 N/A MET 209.A N HIS 205.A O no hydrogen 3.024 N/A VAL 210.A N GLN 206.A O no hydrogen 3.022 N/A ASP 211.A N ALA 207.A O no hydrogen 3.009 N/A GLN 212.A N MET 208.A O no hydrogen 3.082 N/A ALA 213.A N MET 209.A O no hydrogen 2.916 N/A ASN 214.A N VAL 210.A O no hydrogen 2.974 N/A GLY 215.A N GLN 212.A O no hydrogen 2.975 N/A ILE 216.A N ASP 211.A O no hydrogen 2.791 N/A VAL 219.A N GLU 167.A OE2 no hydrogen 2.842 N/A TRP 220.A N SER 224.A OG no hydrogen 3.351 N/A GLN 223.A NE2 TYR 184.A OH no hydrogen 2.960 N/A SER 224.A N TRP 220.A O no hydrogen 3.105 N/A HIS 225.A N HIS 221.A O no hydrogen 3.365 N/A HIS 225.A ND1 HIS 221.A O no hydrogen 3.000 N/A LEU 226.A N ASP 222.A O no hydrogen 2.945 N/A ASN 227.A N GLN 223.A O no hydrogen 2.994 N/A ASN 227.A ND2 TYR 185.A O no hydrogen 2.827 N/A ASN 227.A ND2 GLN 223.A O no hydrogen 2.836 N/A LYS 228.A N SER 224.A O no hydrogen 3.050 N/A LYS 228.A NZ GLN 173.A O no hydrogen 2.723 N/A LYS 228.A NZ TYR 175.A O no hydrogen 2.854 N/A TYR 229.A N HIS 225.A O no hydrogen 2.938 N/A LEU 230.A N LEU 226.A O no hydrogen 2.964 N/A LEU 231.A N ASN 227.A O no hydrogen 3.024 N/A ARG 232.A N LYS 228.A O no hydrogen 3.182 N/A ARG 232.A NH1 GLU 180.A OE1 no hydrogen 3.161 N/A HIS 233.A N TYR 229.A O no hydrogen 2.806 N/A HIS 233.A ND1 TYR 229.A O no hydrogen 3.066 N/A LYS 234.A NZ ASP 182.A OD2 no hydrogen 2.819 N/A LYS 234.A NZ LEU 231.A O no hydrogen 2.791 N/A THR 236.A N LEU 148.A O no hydrogen 2.720 N/A THR 236.A OG1 THR 146.A OG1 no hydrogen 2.622 N/A THR 236.A OG1 LEU 148.A O no hydrogen 3.110 N/A LYS 237.A N LEU 148.A O no hydrogen 3.401 N/A LYS 237.A NZ GLU 143.A O no hydrogen 2.757 N/A LYS 237.A NZ LEU 145.A O no hydrogen 2.823 N/A VAL 238.A N PRO 33.A O no hydrogen 2.934 N/A LEU 239.A N GLY 150.A O no hydrogen 2.880 N/A SER 240.A N VAL 35.A O no hydrogen 3.143 N/A SER 240.A OG VAL 35.A O no hydrogen 2.792 N/A GLU 242.A N SER 240.A OG no hydrogen 3.333 N/A TYR 243.A N SER 240.A O no hydrogen 3.099 N/A TYR 243.A OH GLU 143.A OE1 no hydrogen 2.603 N/A LEU 244.A N PRO 241.A O no hydrogen 3.153 N/A TRP 245.A N PHE 261.A O no hydrogen 2.944 N/A TRP 245.A NE1 GLY 251.A O no hydrogen 2.695 N/A LEU 249.A N ASP 246.A OD1 no hydrogen 3.099 N/A LEU 250.A N ASP 246.A O no hydrogen 2.818 N/A GLY 251.A N GLN 247.A O no hydrogen 2.799 N/A TRP 252.A NE1 LEU 256.A O no hydrogen 2.696 N/A LEU 256.A N PRO 253.A O no hydrogen 3.047 N/A LYS 258.A NZ GLU 37.A OE1 no hydrogen 3.346 N/A ARG 260.A N GLU 242.A O no hydrogen 2.827 N/A ARG 260.A NE GLU 242.A OE2 no hydrogen 2.807 N/A ARG 260.A NH1 HIS 139.A O no hydrogen 2.972 N/A ARG 260.A NH2 GLU 37.A OE2 no hydrogen 2.866 N/A ARG 260.A NH2 GLU 242.A OE2 no hydrogen 2.820 N/A THR 262.A N GLU 135.A O no hydrogen 2.903 N/A ALA 263.A N TRP 245.A O no hydrogen 2.933 N/A