Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5cql_X.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG LEU 3.A O no hydrogen 2.907 N/A THR 15.A N LYS 12.A O no hydrogen 2.976 N/A ARG 18.A NE ASP 20.A OD1 no hydrogen 2.813 N/A ARG 18.A NH1 ASP 20.A OD1 no hydrogen 3.438 N/A ARG 18.A NH1 ASP 20.A OD2 no hydrogen 2.806 N/A ARG 18.A NH1 VAL 251.A O no hydrogen 3.056 N/A ARG 18.A NH2 GLU 34.A O no hydrogen 2.896 N/A ASP 20.A N ASP 20.A OD1 no hydrogen 2.627 N/A THR 25.A N ALA 29.A O no hydrogen 2.732 N/A TRP 27.A N THR 25.A OG1 no hydrogen 3.166 N/A TRP 27.A NE1 PRO 231.A O no hydrogen 2.760 N/A LEU 28.A N THR 25.A O no hydrogen 2.906 N/A ALA 29.A N THR 25.A OG1 no hydrogen 3.059 N/A ILE 31.A N VAL 23.A O no hydrogen 2.849 N/A VAL 32.A N VAL 234.A O no hydrogen 2.836 N/A TRP 33.A NE1 LEU 22.A O no hydrogen 2.940 N/A GLU 34.A N GLU 238.A OE1 no hydrogen 2.714 N/A GLU 34.A N GLU 238.A OE2 no hydrogen 3.171 N/A THR 36.A N TRP 33.A O no hydrogen 3.051 N/A THR 36.A OG1 TRP 33.A O no hydrogen 2.714 N/A ILE 41.A N ASN 38.A OD1 no hydrogen 3.149 N/A LEU 42.A N ASN 38.A O no hydrogen 3.297 N/A ASN 43.A N ILE 39.A O no hydrogen 2.794 N/A GLU 44.A N ASP 40.A O no hydrogen 3.109 N/A GLN 45.A N ILE 41.A O no hydrogen 2.993 N/A PHE 46.A N LEU 42.A O no hydrogen 2.934 N/A ARG 47.A N ASN 43.A O no hydrogen 2.901 N/A ARG 47.A NH2 ASN 50.A OD1 no hydrogen 2.913 N/A LEU 48.A N GLU 44.A O no hydrogen 2.971 N/A GLN 49.A N PHE 46.A O no hydrogen 3.184 N/A ASN 50.A N ARG 47.A O no hydrogen 2.843 N/A THR 51.A N PHE 46.A O no hydrogen 3.304 N/A THR 51.A OG1 PHE 46.A O no hydrogen 2.806 N/A THR 52.A N ASP 122.A OD2 no hydrogen 2.794 N/A ILE 53.A N ARG 83.A O no hydrogen 2.860 N/A GLY 54.A N TYR 123.A O no hydrogen 2.795 N/A LEU 55.A N HIS 85.A O no hydrogen 2.857 N/A THR 56.A N VAL 125.A O no hydrogen 2.805 N/A THR 56.A OG1 VAL 125.A O no hydrogen 3.321 N/A VAL 57.A N TYR 87.A O no hydrogen 2.969 N/A ALA 59.A N PHE 89.A O no hydrogen 2.842 N/A LYS 61.A N ASP 91.A OD1 no hydrogen 3.130 N/A LYS 61.A N ASP 91.A OD2 no hydrogen 3.337 N/A TYR 63.A N ILE 60.A O no hydrogen 3.087 N/A VAL 64.A N LYS 61.A O no hydrogen 3.353 N/A ALA 65.A N LYS 62.A O no hydrogen 3.100 N/A PHE 66.A N TYR 63.A O no hydrogen 3.101 N/A LEU 67.A N VAL 64.A O no hydrogen 3.162 N/A LYS 68.A NZ GLU 72.A OE2 no hydrogen 2.609 N/A PHE 70.A N PHE 66.A O no hydrogen 3.119 N/A LEU 71.A N LEU 67.A O no hydrogen 2.914 N/A GLU 72.A N LYS 68.A O no hydrogen 2.939 N/A THR 73.A N LEU 69.A O no hydrogen 3.045 N/A THR 73.A OG1 LEU 69.A O no hydrogen 2.834 N/A THR 73.A OG1 PHE 70.A O no hydrogen 3.219 N/A ALA 74.A N PHE 70.A O no hydrogen 2.923 N/A GLU 75.A N LEU 71.A O no hydrogen 2.915 N/A LYS 76.A N THR 73.A O no hydrogen 2.996 N/A HIS 77.A N ALA 74.A O no hydrogen 3.232 N/A PHE 78.A N ALA 74.A O no hydrogen 2.800 N/A MET 79.A N VAL 137.A O no hydrogen 2.801 N/A HIS 82.A N MET 79.A O no hydrogen 2.989 N/A HIS 82.A NE2 ASN 43.A OD1 no hydrogen 2.870 N/A ARG 83.A NE THR 52.A OG1 no hydrogen 2.902 N/A ARG 83.A NH2 THR 52.A OG1 no hydrogen 3.158 N/A VAL 84.A N GLY 104.A O no hydrogen 3.202 N/A HIS 85.A N ILE 53.A O no hydrogen 2.856 N/A HIS 85.A NE2 SER 108.A OG no hydrogen 2.653 N/A TYR 86.A N GLN 106.A O no hydrogen 2.752 N/A TYR 86.A OH GLU 75.A OE2 no hydrogen 2.543 N/A TYR 87.A N LEU 55.A O no hydrogen 2.742 N/A TYR 87.A OH GLU 120.A OE1 no hydrogen 2.513 N/A VAL 88.A N SER 108.A O no hydrogen 2.881 N/A PHE 89.A N VAL 57.A O no hydrogen 2.859 N/A THR 90.A N LEU 110.A O no hydrogen 2.927 N/A THR 90.A OG1 ALA 59.A O no hydrogen 2.683 N/A GLN 92.A N THR 90.A OG1 no hydrogen 2.982 N/A ALA 95.A N GLN 92.A O no hydrogen 2.915 N/A VAL 96.A N PRO 93.A O no hydrogen 3.315 N/A GLY 102.A N GLU 75.A OE1 no hydrogen 2.767 N/A ARG 105.A NE GLU 75.A OE2 no hydrogen 2.732 N/A ARG 105.A NH1 PHE 78.A O no hydrogen 2.803 N/A ARG 105.A NH1 TYR 86.A OH no hydrogen 2.967 N/A ARG 105.A NH2 PHE 78.A O no hydrogen 2.976 N/A ARG 105.A NH2 MET 79.A O no hydrogen 3.367 N/A GLN 106.A N VAL 84.A O no hydrogen 2.930 N/A SER 108.A N TYR 86.A O no hydrogen 2.813 N/A SER 108.A OG HIS 85.A NE2 no hydrogen 2.653 N/A LEU 110.A N VAL 88.A O no hydrogen 2.746 N/A VAL 112.A N THR 90.A O no hydrogen 2.989 N/A ARG 116.A NH2 GLU 120.A OE1 no hydrogen 2.898 N/A PHE 117.A N CYS 113.A O no hydrogen 2.908 N/A LEU 118.A N GLU 114.A O no hydrogen 3.274 N/A SER 119.A N ARG 115.A O no hydrogen 3.208 N/A SER 119.A N ARG 116.A O no hydrogen 2.985 N/A SER 119.A OG ARG 116.A O no hydrogen 3.111 N/A GLU 120.A N PHE 117.A O no hydrogen 3.111 N/A VAL 121.A N PHE 117.A O no hydrogen 3.088 N/A ASP 122.A N THR 52.A O no hydrogen 2.879 N/A TYR 123.A N THR 52.A O no hydrogen 3.349 N/A LEU 124.A N GLY 189.A O no hydrogen 2.809 N/A VAL 125.A N GLY 54.A O no hydrogen 2.798 N/A CYS 126.A N.A PHE 187.A O no hydrogen 2.871 N/A CYS 126.A N.B PHE 187.A O no hydrogen 2.895 N/A CYS 126.A SG.A THR 56.A OG1 no hydrogen 3.567 N/A VAL 127.A N THR 56.A O no hydrogen 3.228 N/A GLU 132.A N THR 258.A O no hydrogen 2.845 N/A PHE 133.A N THR 73.A OG1 no hydrogen 2.954 N/A ARG 134.A N ARG 256.A O no hydrogen 2.791 N/A ARG 134.A NH1 GLN 243.A OE1 no hydrogen 2.596 N/A ARG 134.A NH2 GLN 243.A OE1 no hydrogen 3.413 N/A ASP 135.A N ARG 256.A O no hydrogen 3.289 N/A HIS 136.A N ASP 135.A OD1 no hydrogen 2.735 N/A HIS 136.A NE2 GLU 140.A OE2 no hydrogen 2.743 N/A VAL 137.A N HIS 77.A O no hydrogen 2.897 N/A GLY 138.A N GLU 140.A OE1 no hydrogen 2.918 N/A GLU 140.A N GLU 140.A OE2 no hydrogen 2.852 N/A ILE 141.A N GLY 138.A O no hydrogen 3.099 N/A LEU 142.A N VAL 139.A O no hydrogen 2.972 N/A THR 143.A OG1 THR 232.A OG1 no hydrogen 2.665 N/A LEU 145.A N THR 232.A OG1 no hydrogen 3.030 N/A PHE 146.A N GLY 188.A O no hydrogen 2.836 N/A THR 148.A OG1 PHE 186.A O no hydrogen 2.716 N/A LEU 149.A N LEU 235.A O no hydrogen 3.022 N/A HIS 150.A N TYR 181.A O no hydrogen 2.917 N/A PHE 153.A N HIS 150.A O no hydrogen 3.093 N/A SER 156.A N PHE 153.A O no hydrogen 2.992 N/A SER 156.A OG PHE 153.A O no hydrogen 3.529 N/A SER 157.A OG GLU 159.A OE1 no hydrogen 3.095 N/A SER 157.A OG GLU 159.A OE2 no hydrogen 3.111 N/A ARG 158.A NE GLY 178.A O no hydrogen 2.887 N/A ARG 158.A NH1 GLY 178.A O no hydrogen 2.853 N/A ALA 160.A N SER 157.A O no hydrogen 2.996 N/A PHE 161.A N ARG 158.A O no hydrogen 2.987 N/A THR 162.A OG1 TYR 181.A OH no hydrogen 3.156 N/A TYR 163.A OH PHE 180.A O no hydrogen 2.681 N/A ARG 165.A NH1 ILE 173.A O no hydrogen 2.670 N/A ARG 165.A NH2 ARG 158.A O no hydrogen 2.951 N/A ARG 165.A NH2 PHE 161.A O no hydrogen 3.013 N/A ARG 166.A N GLU 164.A OE1 no hydrogen 2.879 N/A ARG 166.A NE GLU 164.A OE1 no hydrogen 2.796 N/A ARG 166.A NH2 GLU 164.A OE2 no hydrogen 2.887 N/A ARG 166.A NH2 GLU 214.A O no hydrogen 2.784 N/A SER 169.A N ARG 166.A O no hydrogen 3.057 N/A SER 169.A OG ASP 208.A OD2 no hydrogen 2.689 N/A GLN 170.A N ASP 208.A OD1 no hydrogen 2.719 N/A ALA 171.A N SER 169.A OG no hydrogen 3.062 N/A TYR 172.A N SER 169.A O no hydrogen 3.007 N/A ILE 173.A N GLU 164.A O no hydrogen 2.980 N/A GLU 177.A N PRO 174.A O no hydrogen 3.151 N/A TYR 181.A OH THR 162.A O no hydrogen 3.418 N/A TYR 182.A N ASN 223.A OD1 no hydrogen 2.929 N/A MET 183.A N THR 148.A O no hydrogen 2.855 N/A PHE 187.A N CYS 126.A O.A no hydrogen 3.276 N/A PHE 187.A N CYS 126.A O.B no hydrogen 3.276 N/A GLY 188.A N PHE 146.A O no hydrogen 3.163 N/A GLY 189.A N LEU 124.A O no hydrogen 2.944 N/A SER 190.A N PRO 144.A O no hydrogen 2.899 N/A VAL 191.A N ASP 122.A O no hydrogen 3.448 N/A GLU 193.A N SER 190.A OG no hydrogen 3.117 N/A VAL 194.A N SER 190.A O no hydrogen 2.915 N/A GLN 195.A N VAL 191.A O no hydrogen 2.820 N/A GLN 195.A NE2 GLU 114.A O no hydrogen 2.977 N/A ARG 196.A N GLN 192.A O no hydrogen 3.022 N/A LEU 197.A N GLU 193.A O no hydrogen 3.056 N/A THR 198.A N VAL 194.A O no hydrogen 2.944 N/A THR 198.A OG1 VAL 194.A O no hydrogen 3.073 N/A THR 198.A OG1 GLN 195.A O no hydrogen 3.118 N/A ARG 199.A N GLN 195.A O no hydrogen 2.890 N/A ALA 200.A N ARG 196.A O no hydrogen 2.980 N/A CYS 201.A N LEU 197.A O no hydrogen 2.875 N/A CYS 201.A SG LEU 197.A O no hydrogen 3.474 N/A HIS 202.A N THR 198.A O no hydrogen 2.901 N/A GLN 203.A N ARG 199.A O no hydrogen 2.939 N/A ALA 204.A N ALA 200.A O no hydrogen 2.986 N/A MET 205.A N CYS 201.A O no hydrogen 2.895 N/A MET 206.A N HIS 202.A O no hydrogen 3.063 N/A VAL 207.A N GLN 203.A O no hydrogen 3.062 N/A ASP 208.A N ALA 204.A O no hydrogen 2.997 N/A GLN 209.A N MET 205.A O no hydrogen 2.944 N/A ALA 210.A N MET 206.A O no hydrogen 2.821 N/A ASN 211.A N VAL 207.A O no hydrogen 3.006 N/A GLY 212.A N GLN 209.A O no hydrogen 2.789 N/A ILE 213.A N ASP 208.A O no hydrogen 2.816 N/A ALA 219.A N TRP 216.A O no hydrogen 3.098 N/A SER 220.A OG HIS 217.A O no hydrogen 2.962 N/A HIS 221.A N HIS 217.A O no hydrogen 3.394 N/A LEU 222.A N ASP 218.A O no hydrogen 2.919 N/A ASN 223.A N ALA 219.A O no hydrogen 2.964 N/A ASN 223.A ND2 TYR 182.A O no hydrogen 2.875 N/A ASN 223.A ND2 ALA 219.A O no hydrogen 2.807 N/A LYS 224.A N SER 220.A O no hydrogen 3.069 N/A LYS 224.A NZ GLN 170.A O no hydrogen 2.841 N/A LYS 224.A NZ TYR 172.A O no hydrogen 2.810 N/A TYR 225.A N HIS 221.A O no hydrogen 2.981 N/A LEU 226.A N LEU 222.A O no hydrogen 2.948 N/A LEU 227.A N ASN 223.A O no hydrogen 2.984 N/A ARG 228.A N LYS 224.A O no hydrogen 3.121 N/A ARG 228.A NH2 GLU 177.A OE2 no hydrogen 3.068 N/A HIS 229.A N TYR 225.A O no hydrogen 2.731 N/A LYS 230.A NZ ASP 179.A OD2 no hydrogen 2.716 N/A LYS 230.A NZ LEU 227.A O no hydrogen 2.836 N/A THR 232.A N LEU 145.A O no hydrogen 2.713 N/A THR 232.A OG1 THR 143.A OG1 no hydrogen 2.665 N/A THR 232.A OG1 LEU 145.A O no hydrogen 3.125 N/A LYS 233.A N LEU 145.A O no hydrogen 3.481 N/A LYS 233.A NZ GLU 140.A O no hydrogen 2.763 N/A LYS 233.A NZ LEU 142.A O no hydrogen 2.791 N/A VAL 234.A N PRO 30.A O no hydrogen 2.959 N/A LEU 235.A N GLY 147.A O no hydrogen 2.825 N/A SER 236.A N VAL 32.A O no hydrogen 3.091 N/A SER 236.A OG VAL 32.A O no hydrogen 2.751 N/A GLU 238.A N SER 236.A OG no hydrogen 3.365 N/A TYR 239.A N SER 236.A O no hydrogen 3.002 N/A TYR 239.A OH GLU 140.A OE1 no hydrogen 2.683 N/A LEU 240.A N PRO 237.A O no hydrogen 3.164 N/A TRP 241.A N PHE 257.A O no hydrogen 2.931 N/A TRP 241.A NE1 GLY 247.A O no hydrogen 2.727 N/A LEU 245.A N ASP 242.A OD1 no hydrogen 3.025 N/A LEU 246.A N ASP 242.A O no hydrogen 2.799 N/A GLY 247.A N GLN 243.A O no hydrogen 2.836 N/A TRP 248.A NE1 LEU 252.A O no hydrogen 2.721 N/A LEU 252.A N PRO 249.A O no hydrogen 2.960 N/A LYS 254.A NZ ASP 135.A OD2 no hydrogen 3.289 N/A ARG 256.A N GLU 238.A O no hydrogen 2.814 N/A ARG 256.A NE GLU 238.A OE2 no hydrogen 2.790 N/A ARG 256.A NH1 HIS 136.A O no hydrogen 2.942 N/A ARG 256.A NH2 GLU 34.A OE2 no hydrogen 2.801 N/A ARG 256.A NH2 GLU 238.A OE2 no hydrogen 2.813 N/A THR 258.A N GLU 132.A O no hydrogen 2.891 N/A THR 258.A OG1 GLU 132.A O no hydrogen 3.548 N/A ALA 259.A N TRP 241.A O no hydrogen 2.938 N/A