Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4cql_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 4.A N HIS 2.A O no hydrogen 2.740 N/A VAL 6.A N ASN 80.A OD1 no hydrogen 2.762 N/A CYS 7.A N ARG 30.A O no hydrogen 2.876 N/A CYS 7.A SG PHE 81.A O no hydrogen 3.844 N/A ALA 8.A N PHE 81.A O no hydrogen 2.855 N/A PHE 10.A N VAL 83.A O no hydrogen 3.014 N/A GLY 11.A N ILE 34.A O no hydrogen 2.751 N/A VAL 20.A N ILE 16.A O no hydrogen 2.972 N/A ALA 21.A N GLY 17.A O no hydrogen 3.071 N/A GLN 22.A N ARG 18.A O no hydrogen 3.192 N/A LEU 23.A N ALA 19.A O no hydrogen 3.066 N/A MET 24.A N ALA 21.A O no hydrogen 3.371 N/A ALA 25.A N ALA 21.A O no hydrogen 3.117 N/A LYS 27.A N MET 24.A O no hydrogen 3.504 N/A TYR 29.A N LYS 27.A O no hydrogen 2.925 N/A ARG 30.A N LYS 5.A O no hydrogen 2.982 N/A LEU 31.A N HIS 52.A ND1 no hydrogen 2.971 N/A ALA 32.A N CYS 7.A O no hydrogen 3.117 N/A VAL 33.A N LEU 53.A O no hydrogen 2.969 N/A ILE 34.A N VAL 9.A O no hydrogen 2.998 N/A ALA 35.A N PHE 55.A O no hydrogen 2.937 N/A GLU 39.A N ASN 37.A OD1 no hydrogen 3.200 N/A ALA 41.A N ASN 37.A O no hydrogen 3.062 N/A LYS 42.A N LEU 38.A O no hydrogen 2.804 N/A ALA 43.A N GLU 39.A O no hydrogen 3.230 N/A ALA 44.A N ALA 41.A O no hydrogen 3.268 N/A ALA 45.A N ALA 41.A O no hydrogen 2.941 N/A GLY 46.A N LYS 42.A O no hydrogen 2.826 N/A LEU 48.A N ALA 45.A O no hydrogen 3.315 N/A LEU 53.A N LEU 31.A O no hydrogen 3.427 N/A PHE 55.A N VAL 33.A O no hydrogen 2.686 N/A SER 56.A OG ARG 36.A O no hydrogen 3.003 N/A CYS 57.A N ALA 35.A O no hydrogen 2.520 N/A CYS 57.A SG ASP 64.A O no hydrogen 3.415 N/A CYS 57.A SG ASP 64.A OD2 no hydrogen 3.855 N/A CYS 57.A SG THR 68.A OG1 no hydrogen 3.229 N/A ASP 58.A N ASP 64.A OD2 no hydrogen 3.087 N/A ALA 60.A N ASP 58.A OD1 no hydrogen 3.379 N/A LYS 61.A N ASP 58.A O no hydrogen 3.196 N/A VAL 65.A N LYS 61.A O no hydrogen 3.240 N/A GLN 66.A N GLU 62.A O no hydrogen 3.293 N/A ASN 67.A N HIS 63.A O no hydrogen 3.217 N/A THR 68.A N ASP 64.A O no hydrogen 3.303 N/A THR 68.A N VAL 65.A O no hydrogen 3.244 N/A THR 68.A OG1 ASP 64.A O no hydrogen 2.581 N/A PHE 69.A N VAL 65.A O no hydrogen 3.351 N/A GLU 71.A N ASN 67.A O no hydrogen 3.231 N/A LEU 72.A N THR 68.A O no hydrogen 2.760 N/A GLU 73.A N PHE 69.A O no hydrogen 2.905 N/A LYS 74.A N GLU 71.A O no hydrogen 3.158 N/A HIS 75.A N GLU 71.A O no hydrogen 3.201 N/A HIS 75.A ND1 GLU 71.A O no hydrogen 2.586 N/A LEU 76.A N LEU 72.A O no hydrogen 2.822 N/A ASN 80.A N VAL 6.A O no hydrogen 3.145 N/A ASN 80.A ND2 ASP 4.A O no hydrogen 3.018 N/A PHE 81.A N VAL 6.A O no hydrogen 3.033 N/A LEU 82.A N SER 131.A O no hydrogen 2.696 N/A VAL 83.A N ALA 8.A O no hydrogen 3.062 N/A ASN 84.A N VAL 133.A O no hydrogen 2.923 N/A ASN 84.A ND2 ASN 134.A OD1 no hydrogen 2.384 N/A ILE 88.A N ASN 109.A OD1 no hydrogen 2.900 N/A GLY 92.A N GLY 146.A O no hydrogen 3.127 N/A THR 97.A N LEU 93.A O no hydrogen 3.233 N/A THR 97.A OG1 LYS 98.A O no hydrogen 3.220 N/A MET 102.A N LYS 98.A O no hydrogen 3.119 N/A VAL 103.A N THR 99.A O no hydrogen 3.288 N/A SER 104.A N GLU 100.A O no hydrogen 3.138 N/A SER 104.A OG GLU 100.A O no hydrogen 2.927 N/A GLN 105.A N ASP 101.A O no hydrogen 3.436 N/A GLN 105.A NE2 ARG 90.A O no hydrogen 3.577 N/A LEU 106.A N MET 102.A O no hydrogen 3.255 N/A HIS 107.A N VAL 103.A O no hydrogen 2.837 N/A THR 108.A N SER 104.A O no hydrogen 3.104 N/A THR 108.A OG1 SER 104.A O no hydrogen 2.776 N/A ASN 109.A N GLN 105.A O no hydrogen 3.148 N/A ASN 109.A ND2 ILE 88.A O no hydrogen 2.864 N/A LEU 111.A N LEU 106.A O no hydrogen 2.814 N/A SER 113.A N LEU 110.A O no hydrogen 3.154 N/A SER 113.A OG ASN 109.A O no hydrogen 2.772 N/A MET 114.A N LEU 110.A O no hydrogen 3.124 N/A LEU 115.A N LEU 111.A O no hydrogen 3.047 N/A THR 116.A N GLY 112.A O no hydrogen 3.341 N/A THR 116.A OG1 ASN 84.A OD1 no hydrogen 2.631 N/A THR 116.A OG1 SER 113.A O no hydrogen 3.042 N/A CYS 117.A N SER 113.A O no hydrogen 3.274 N/A CYS 117.A SG SER 113.A O no hydrogen 3.185 N/A CYS 117.A SG ASN 134.A OD1 no hydrogen 3.701 N/A ALA 119.A N LEU 115.A O no hydrogen 2.950 N/A ALA 120.A N THR 116.A O no hydrogen 2.891 N/A THR 123.A OG1 VAL 79.A O no hydrogen 3.368 N/A THR 123.A OG1 ALA 120.A O no hydrogen 2.864 N/A MET 124.A N ALA 120.A O no hydrogen 3.087 N/A ILE 125.A N MET 121.A O no hydrogen 2.529 N/A GLN 127.A N THR 123.A O no hydrogen 2.911 N/A GLN 127.A NE2 VAL 79.A O no hydrogen 3.318 N/A GLY 130.A N LYS 172.A O no hydrogen 3.336 N/A SER 131.A N ASN 80.A O no hydrogen 3.014 N/A ILE 132.A N ARG 174.A O no hydrogen 2.772 N/A VAL 133.A N LEU 82.A O no hydrogen 2.723 N/A ASN 134.A N ASN 176.A O no hydrogen 3.061 N/A ASN 134.A ND2 SER 161.A OG no hydrogen 2.518 N/A VAL 135.A N ASN 84.A O no hydrogen 3.134 N/A GLY 136.A N VAL 178.A O no hydrogen 2.654 N/A ILE 138.A N PRO 180.A O no hydrogen 3.345 N/A GLY 140.A N SER 137.A O no hydrogen 3.016 N/A LEU 141.A N ILE 138.A O no hydrogen 2.993 N/A LYS 142.A N ILE 138.A O no hydrogen 3.036 N/A LYS 142.A NZ GLN 224.A O no hydrogen 2.343 N/A ASN 144.A ND2 GLN 147.A OE1 no hydrogen 3.238 N/A GLN 147.A N ASN 144.A O no hydrogen 3.125 N/A GLN 147.A NE2 ASP 91.A OD1 no hydrogen 3.019 N/A SER 151.A N GLN 147.A O no hydrogen 3.087 N/A SER 151.A OG VAL 139.A O no hydrogen 3.066 N/A SER 151.A OG GLN 147.A O no hydrogen 2.420 N/A ALA 152.A N SER 148.A O no hydrogen 3.078 N/A SER 153.A N VAL 149.A O no hydrogen 3.467 N/A SER 153.A OG VAL 149.A O no hydrogen 3.559 N/A SER 153.A OG TYR 150.A O no hydrogen 3.169 N/A LYS 154.A N TYR 150.A O no hydrogen 3.172 N/A GLY 156.A N ALA 152.A O no hydrogen 3.142 N/A PHE 160.A N GLY 156.A O no hydrogen 3.198 N/A SER 161.A N LEU 157.A O no hydrogen 3.090 N/A SER 161.A OG LEU 157.A O no hydrogen 2.637 N/A ARG 162.A N VAL 158.A O no hydrogen 3.202 N/A ALA 163.A N GLY 159.A O no hydrogen 2.961 N/A LEU 164.A N PHE 160.A O no hydrogen 2.899 N/A ALA 165.A N SER 161.A O no hydrogen 2.877 N/A LYS 166.A N ARG 162.A O no hydrogen 3.172 N/A GLU 167.A N LEU 164.A O no hydrogen 3.021 N/A VAL 168.A N LEU 164.A O no hydrogen 3.041 N/A LYS 171.A N VAL 168.A O no hydrogen 3.339 N/A LYS 172.A N ALA 169.A O no hydrogen 2.882 N/A ILE 173.A N VAL 168.A O no hydrogen 3.043 N/A ARG 174.A N GLY 130.A O no hydrogen 2.856 N/A ARG 174.A NH1 LEU 206.A O no hydrogen 2.799 N/A ARG 174.A NH1 ILE 212.A O no hydrogen 3.007 N/A ARG 174.A NH2 LEU 206.A O no hydrogen 3.332 N/A VAL 175.A N THR 213.A OG1 no hydrogen 3.340 N/A ASN 176.A N ILE 132.A O no hydrogen 2.955 N/A ASN 176.A ND2 ILE 212.A O no hydrogen 2.823 N/A VAL 177.A N HIS 215.A O no hydrogen 2.862 N/A VAL 178.A N ASN 134.A O no hydrogen 3.007 N/A ALA 179.A N LEU 217.A O no hydrogen 2.662 N/A GLY 181.A N VAL 219.A O no hydrogen 2.810 N/A LEU 190.A N GLY 221.A O no hydrogen 3.174 N/A GLY 191.A N ILE 188.A O no hydrogen 3.233 N/A GLY 194.A N PHE 182.A O no hydrogen 2.533 N/A GLU 195.A N GLU 198.A OE1 no hydrogen 3.221 N/A VAL 199.A N GLU 195.A O no hydrogen 3.177 N/A ALA 200.A N THR 196.A O no hydrogen 3.046 N/A HIS 201.A N ILE 197.A O no hydrogen 3.287 N/A HIS 201.A ND1 ILE 197.A O no hydrogen 2.606 N/A VAL 203.A N VAL 199.A O no hydrogen 3.239 N/A VAL 204.A N ALA 200.A O no hydrogen 3.033 N/A PHE 205.A N HIS 201.A O no hydrogen 3.050 N/A LEU 206.A N ALA 202.A O no hydrogen 3.316 N/A LEU 207.A N VAL 203.A O no hydrogen 3.214 N/A GLU 208.A N VAL 204.A O no hydrogen 2.898 N/A GLU 208.A N PHE 205.A O no hydrogen 3.015 N/A SER 209.A N PHE 205.A O no hydrogen 2.665 N/A GLY 214.A N VAL 175.A O no hydrogen 2.772 N/A HIS 215.A N ASN 176.A OD1 no hydrogen 2.762 N/A LEU 217.A N VAL 177.A O no hydrogen 2.671 N/A VAL 219.A N ALA 179.A O no hydrogen 3.024 N/A ILE 226.A N LEU 223.A O no hydrogen 3.201 N/A LEU 227.A N LEU 223.A O no hydrogen 2.856 N/A