Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cql_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N GLU 3.A OE1 no hydrogen 2.753 N/A GLY 1.A N GLU 3.A OE2 no hydrogen 3.276 N/A GLU 3.A N GLU 3.A OE2 no hydrogen 2.834 N/A LYS 4.A N GLY 1.A O no hydrogen 3.416 N/A LYS 4.A NZ GLU 3.A OE1 no hydrogen 3.162 N/A ILE 5.A N ILE 2.A O no hydrogen 2.853 N/A ILE 6.A N ILE 2.A O no hydrogen 2.892 N/A SER 7.A OG SER 9.A OG no hydrogen 3.094 N/A ARG 8.A NH1 ASP 32.A OD1 no hydrogen 3.296 N/A ARG 8.A NH2 ASP 32.A OD1 no hydrogen 2.789 N/A SER 9.A OG SER 7.A OG no hydrogen 3.094 N/A MET 10.A N SER 7.A OG no hydrogen 3.092 N/A PHE 11.A N SER 7.A O no hydrogen 2.955 N/A ASP 12.A N ARG 8.A O no hydrogen 2.898 N/A GLN 13.A N SER 9.A O no hydrogen 2.929 N/A MET 14.A N MET 10.A O no hydrogen 2.881 N/A LEU 15.A N PHE 11.A O no hydrogen 2.809 N/A LYS 16.A NZ ASP 77.A OD1 no hydrogen 2.693 N/A ARG 18.A N LEU 15.A O no hydrogen 3.328 N/A ARG 18.A NE TYR 29.A O no hydrogen 2.964 N/A ARG 18.A NH1 ASP 12.A OD1 no hydrogen 3.033 N/A ARG 18.A NH1 LEU 15.A O no hydrogen 2.931 N/A ARG 18.A NH2 ASP 12.A OD1 no hydrogen 3.467 N/A ASN 20.A N HIS 17.A O no hydrogen 2.981 N/A ALA 22.A N ASN 20.A OD1 no hydrogen 3.020 N/A CYS 23.A N ASN 20.A O no hydrogen 2.868 N/A CYS 23.A SG HIS 17.A O no hydrogen 3.367 N/A ALA 25.A N CYS 85.A O no hydrogen 2.986 N/A LYS 26.A N CYS 23.A O no hydrogen 3.052 N/A GLY 27.A N ASN 19.A OD1 no hydrogen 3.026 N/A PHE 28.A N ALA 25.A O no hydrogen 2.920 N/A TYR 29.A OH PHE 86.A O no hydrogen 2.736 N/A TYR 31.A OH ILE 6.A O no hydrogen 2.630 N/A ALA 33.A N THR 30.A OG1 no hydrogen 3.029 N/A PHE 34.A N THR 30.A O no hydrogen 3.006 N/A ILE 35.A N TYR 31.A O no hydrogen 2.920 N/A ALA 36.A N ASP 32.A O no hydrogen 2.912 N/A ALA 37.A N ALA 33.A O no hydrogen 2.840 N/A ALA 38.A N PHE 34.A O no hydrogen 2.996 N/A LYS 39.A N ILE 35.A O no hydrogen 3.264 N/A LYS 39.A N ALA 36.A O no hydrogen 3.220 N/A SER 40.A N ALA 37.A O no hydrogen 3.046 N/A PHE 41.A N ALA 38.A O no hydrogen 2.845 N/A PHE 44.A N PHE 41.A O no hydrogen 3.033 N/A GLY 45.A N GLU 56.A OE1 no hydrogen 2.853 N/A THR 46.A N SER 43.A O no hydrogen 3.321 N/A THR 46.A OG1 PRO 42.A O no hydrogen 2.630 N/A THR 47.A OG1 SER 43.A O no hydrogen 2.726 N/A THR 47.A OG1 HIS 169.A NE2 no hydrogen 3.408 N/A VAL 52.A N SER 49.A OG no hydrogen 3.128 N/A ARG 53.A N SER 49.A O no hydrogen 2.950 N/A ARG 53.A NE GLY 48.A O no hydrogen 2.850 N/A ARG 53.A NH2 GLY 48.A O no hydrogen 3.178 N/A LYS 54.A N THR 50.A O no hydrogen 2.909 N/A LYS 54.A NZ LEU 226.A O no hydrogen 3.075 N/A ARG 55.A N ASP 51.A O no hydrogen 3.035 N/A ARG 55.A NE GLY 229.A O no hydrogen 2.797 N/A ARG 55.A NH1 ASP 51.A OD2 no hydrogen 3.110 N/A ARG 55.A NH2 ASP 51.A OD2 no hydrogen 2.751 N/A ARG 55.A NH2 GLY 229.A O no hydrogen 2.949 N/A GLU 56.A N VAL 52.A O no hydrogen 2.815 N/A ILE 57.A N ARG 53.A O no hydrogen 3.024 N/A ALA 58.A N LYS 54.A O no hydrogen 2.877 N/A ALA 59.A N ARG 55.A O no hydrogen 2.797 N/A PHE 60.A N GLU 56.A O no hydrogen 2.855 N/A LEU 61.A N ILE 57.A O no hydrogen 2.873 N/A GLY 62.A N ALA 58.A O no hydrogen 2.742 N/A GLN 63.A N ALA 59.A O no hydrogen 2.982 N/A GLN 63.A NE2 THR 195.A OG1 no hydrogen 2.969 N/A THR 64.A N PHE 60.A O no hydrogen 3.058 N/A THR 64.A OG1 PHE 60.A O no hydrogen 2.687 N/A THR 64.A OG1 LEU 61.A O no hydrogen 3.226 N/A THR 64.A OG1 TYR 84.A OH no hydrogen 2.705 N/A SER 65.A N LEU 61.A O no hydrogen 2.804 N/A SER 65.A OG LEU 61.A O no hydrogen 2.676 N/A SER 65.A OG TYR 222.A OH no hydrogen 2.713 N/A HIS 66.A N GLY 62.A O no hydrogen 3.053 N/A HIS 66.A ND1 ASP 214.A OD2 no hydrogen 2.581 N/A GLU 67.A N GLN 63.A O no hydrogen 3.002 N/A THR 68.A N THR 64.A O no hydrogen 3.102 N/A THR 68.A N SER 65.A O no hydrogen 3.211 N/A THR 68.A OG1 THR 64.A O no hydrogen 2.833 N/A THR 68.A OG1 SER 65.A O no hydrogen 3.487 N/A THR 69.A N HIS 66.A O no hydrogen 3.237 N/A GLY 70.A N TRP 82.A O no hydrogen 2.886 N/A GLY 71.A N THR 69.A OG1 no hydrogen 2.889 N/A ALA 75.A N TRP 72.A O no hydrogen 2.997 N/A GLY 78.A N ALA 75.A O no hydrogen 2.937 N/A ALA 81.A N GLY 78.A O no hydrogen 3.184 N/A TRP 82.A NE1 PRO 76.A O no hydrogen 2.870 N/A TYR 84.A N THR 68.A OG1 no hydrogen 2.781 N/A TYR 84.A OH THR 64.A OG1 no hydrogen 2.705 N/A CYS 85.A N THR 68.A O no hydrogen 2.946 N/A PHE 86.A N THR 68.A O no hydrogen 3.054 N/A LYS 88.A NZ TYR 112.A OH no hydrogen 3.108 N/A GLU 89.A N GLY 113.A O no hydrogen 2.857 N/A TYR 96.A N SER 94.A OG no hydrogen 3.114 N/A TYR 96.A OH GLU 89.A OE2 no hydrogen 2.585 N/A ALA 98.A N ASN 122.A OD1 no hydrogen 2.842 N/A TYR 103.A N SER 100.A OG no hydrogen 2.886 N/A TYR 103.A OH GLU 130.A OE2 no hydrogen 3.061 N/A CYS 105.A SG ALA 98.A O no hydrogen 3.772 N/A ALA 106.A N TYR 111.A OH no hydrogen 2.941 N/A LYS 109.A N ALA 106.A O no hydrogen 3.017 N/A TYR 111.A N ASN 95.A O no hydrogen 2.762 N/A TYR 111.A OH LEU 137.A O no hydrogen 2.660 N/A GLY 113.A N GLU 89.A OE1 no hydrogen 2.856 N/A ARG 114.A N LEU 119.A O no hydrogen 3.323 N/A ARG 114.A NE ASP 141.A OD1 no hydrogen 3.375 N/A ARG 114.A NH1 SER 110.A O no hydrogen 2.832 N/A ARG 114.A NH1 TYR 125.A OH no hydrogen 3.099 N/A ARG 114.A NH2 SER 110.A O no hydrogen 2.996 N/A ARG 114.A NH2 ASP 141.A OD1 no hydrogen 2.792 N/A GLY 115.A N LEU 87.A O no hydrogen 2.968 N/A GLN 118.A N GLY 115.A O no hydrogen 2.948 N/A GLN 118.A NE2 LEU 87.A O no hydrogen 3.086 N/A GLN 118.A NE2 GLY 115.A O no hydrogen 3.057 N/A LEU 119.A N ARG 114.A O no hydrogen 3.180 N/A SER 120.A OG GLN 118.A O no hydrogen 2.912 N/A TRP 121.A N TYR 111.A O no hydrogen 2.944 N/A ASN 122.A N TYR 96.A O no hydrogen 3.339 N/A ASN 122.A ND2 ALA 98.A O no hydrogen 2.794 N/A ASN 122.A ND2 TYR 103.A O no hydrogen 2.875 N/A ASN 124.A N TRP 121.A O no hydrogen 3.018 N/A TYR 125.A N TRP 121.A O no hydrogen 3.061 N/A TYR 125.A OH TYR 112.A O no hydrogen 2.790 N/A TYR 125.A OH LEU 119.A O no hydrogen 2.922 N/A GLY 126.A N ASN 122.A O no hydrogen 2.853 N/A CYS 128.A N ASN 124.A O no hydrogen 3.077 N/A GLY 129.A N TYR 125.A O no hydrogen 2.925 N/A GLU 130.A N GLY 126.A O no hydrogen 3.093 N/A ALA 131.A N PRO 127.A O no hydrogen 2.968 N/A LEU 132.A N CYS 128.A O no hydrogen 2.891 N/A ARG 133.A N GLU 130.A O no hydrogen 3.312 N/A VAL 134.A N GLY 129.A O no hydrogen 2.985 N/A LEU 136.A N VAL 134.A O no hydrogen 2.980 N/A GLY 138.A N ASN 135.A OD1 no hydrogen 2.865 N/A ASN 139.A N ASN 135.A O no hydrogen 2.826 N/A LEU 142.A N ASN 139.A O no hydrogen 3.073 N/A VAL 143.A N PRO 140.A O no hydrogen 3.099 N/A ALA 144.A N ASP 141.A O no hydrogen 2.870 N/A THR 145.A N LEU 142.A O no hydrogen 2.967 N/A THR 145.A OG1 ASP 141.A O no hydrogen 2.716 N/A ASP 146.A N LEU 142.A O no hydrogen 3.182 N/A ARG 147.A NE PHE 28.A O no hydrogen 2.830 N/A ARG 147.A NH2 GLY 27.A O no hydrogen 2.925 N/A ILE 149.A N ASP 146.A OD1 no hydrogen 2.842 N/A SER 150.A N ASP 146.A O no hydrogen 2.868 N/A SER 150.A OG VAL 143.A O no hydrogen 2.787 N/A PHE 151.A N ARG 147.A O no hydrogen 3.132 N/A LYS 152.A N VAL 148.A O no hydrogen 2.866 N/A THR 153.A N ILE 149.A O no hydrogen 2.935 N/A THR 153.A N SER 150.A O no hydrogen 3.220 N/A THR 153.A OG1 SER 150.A O no hydrogen 2.720 N/A ALA 154.A N SER 150.A O no hydrogen 3.467 N/A LEU 155.A N PHE 151.A O no hydrogen 2.988 N/A TRP 156.A N LYS 152.A O no hydrogen 2.764 N/A PHE 157.A N THR 153.A O no hydrogen 2.947 N/A TRP 158.A N ALA 154.A O no hydrogen 3.002 N/A TRP 158.A NE1 GLU 56.A OE2 no hydrogen 2.832 N/A MET 159.A N LEU 155.A O no hydrogen 2.875 N/A MET 159.A N TRP 156.A O no hydrogen 3.188 N/A THR 160.A N PHE 157.A O no hydrogen 3.426 N/A THR 160.A OG1 TRP 156.A O no hydrogen 2.666 N/A GLN 162.A N LYS 165.A O no hydrogen 2.966 N/A LYS 165.A N GLN 162.A O no hydrogen 2.832 N/A LYS 165.A NZ ILE 197.A O no hydrogen 2.880 N/A HIS 169.A N TRP 158.A O no hydrogen 3.049 N/A ASP 170.A N SER 167.A OG no hydrogen 2.919 N/A VAL 171.A N SER 167.A O no hydrogen 3.140 N/A ILE 172.A N CYS 168.A O no hydrogen 2.999 N/A THR 173.A N HIS 169.A O no hydrogen 3.049 N/A THR 173.A OG1 HIS 169.A O no hydrogen 2.901 N/A THR 173.A OG1 ASP 170.A O no hydrogen 3.495 N/A GLY 174.A N VAL 171.A O no hydrogen 3.151 N/A ARG 175.A N ASP 170.A O no hydrogen 2.958 N/A TRP 176.A N ASP 170.A O no hydrogen 2.973 N/A SER 179.A N ASP 182.A OD2 no hydrogen 2.915 N/A ASP 182.A N SER 179.A OG no hydrogen 3.068 N/A THR 183.A N SER 179.A O no hydrogen 2.948 N/A THR 183.A OG1 SER 179.A O no hydrogen 3.506 N/A THR 183.A OG1 ALA 180.A O no hydrogen 3.239 N/A ALA 184.A N ALA 180.A O no hydrogen 3.039 N/A ALA 185.A N ALA 181.A O no hydrogen 3.017 N/A ARG 187.A N ASP 182.A O no hydrogen 2.827 N/A ARG 187.A NE ASP 182.A OD1 no hydrogen 2.911 N/A ARG 187.A NH1 ARG 240.A O no hydrogen 2.849 N/A ARG 187.A NH2 ASP 182.A OD1 no hydrogen 3.019 N/A TYR 191.A OH ARG 215.A O no hydrogen 2.770 N/A GLY 192.A N ASN 233.A O no hydrogen 2.825 N/A THR 195.A N TYR 191.A O no hydrogen 3.021 N/A THR 195.A OG1 TYR 191.A O no hydrogen 3.514 N/A ASN 196.A N GLY 192.A O no hydrogen 2.965 N/A ASN 196.A ND2 GLN 239.A OE1 no hydrogen 3.055 N/A ASN 196.A ND2 ARG 240.A O no hydrogen 3.185 N/A ILE 197.A N VAL 193.A O no hydrogen 2.900 N/A ILE 198.A N ILE 194.A O no hydrogen 3.015 N/A ASN 199.A N THR 195.A O no hydrogen 2.846 N/A ASN 199.A ND2 GLU 203.A OE2 no hydrogen 2.846 N/A GLY 200.A N ASN 196.A O no hydrogen 2.838 N/A LEU 202.A N ASN 199.A O no hydrogen 3.243 N/A GLU 203.A N ASN 199.A O no hydrogen 3.083 N/A CYS 204.A N GLY 200.A O no hydrogen 2.905 N/A GLY 205.A N CYS 236.A O no hydrogen 2.832 N/A LYS 206.A NZ GLY 201.A O no hydrogen 2.830 N/A LYS 206.A NZ CYS 204.A O no hydrogen 2.691 N/A GLY 207.A N TYR 237.A O no hydrogen 2.945 N/A VAL 212.A N ASN 209.A OD1 no hydrogen 2.873 N/A ALA 213.A N ASN 209.A O no hydrogen 3.107 N/A ASP 214.A N PRO 210.A O no hydrogen 2.916 N/A ARG 215.A N GLN 211.A O no hydrogen 3.072 N/A ARG 215.A NE GLU 203.A OE1 no hydrogen 2.828 N/A ARG 215.A NH1 GLN 63.A OE1 no hydrogen 2.836 N/A ARG 215.A NH1 GLU 67.A OE2 no hydrogen 2.788 N/A ARG 215.A NH2 GLU 67.A OE2 no hydrogen 2.809 N/A ARG 215.A NH2 GLU 203.A OE1 no hydrogen 3.430 N/A ARG 215.A NH2 GLU 203.A OE2 no hydrogen 2.755 N/A ILE 216.A N VAL 212.A O no hydrogen 3.117 N/A GLY 217.A N ALA 213.A O no hydrogen 2.903 N/A PHE 218.A N ASP 214.A O no hydrogen 3.227 N/A PHE 219.A N ARG 215.A O no hydrogen 3.222 N/A ARG 220.A N ILE 216.A O no hydrogen 2.866 N/A ARG 221.A N GLY 217.A O no hydrogen 3.008 N/A ARG 221.A NH1 MET 14.A O no hydrogen 2.859 N/A ARG 221.A NH1 TYR 80.A O no hydrogen 2.904 N/A ARG 221.A NH2 GLN 13.A O no hydrogen 2.864 N/A TYR 222.A N PHE 218.A O no hydrogen 2.907 N/A TYR 222.A OH SER 65.A OG no hydrogen 2.713 N/A CYS 223.A N PHE 219.A O no hydrogen 2.897 N/A CYS 223.A SG PHE 219.A O no hydrogen 3.388 N/A CYS 223.A SG GLY 229.A O no hydrogen 4.030 N/A GLY 224.A N ARG 220.A O no hydrogen 2.958 N/A ILE 225.A N ARG 221.A O no hydrogen 2.993 N/A LEU 226.A N TYR 222.A O no hydrogen 2.891 N/A GLY 227.A N GLY 224.A O no hydrogen 3.290 N/A VAL 228.A N CYS 223.A O no hydrogen 2.930 N/A THR 230.A OG1 GLY 231.A O no hydrogen 2.812 N/A ASN 233.A ND2 PRO 189.A O no hydrogen 2.891 N/A TYR 237.A N ASP 235.A OD1 no hydrogen 2.915 N/A GLN 239.A N CYS 236.A O no hydrogen 3.112 N/A ARG 240.A N ALA 185.A O no hydrogen 3.454 N/A PHE 242.A N ASN 196.A OD1 no hydrogen 3.175 N/A