Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4cql_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A NE GLU 30.A OE1 no hydrogen 3.336 N/A ARG 4.A NH1 ASP 229.A OD2 no hydrogen 2.364 N/A LEU 5.A N GLU 30.A O no hydrogen 3.160 N/A ALA 10.A N THR 33.A O no hydrogen 2.506 N/A LEU 11.A N VAL 84.A O no hydrogen 2.699 N/A VAL 12.A N ALA 35.A O no hydrogen 3.281 N/A THR 13.A N VAL 86.A O no hydrogen 3.065 N/A ALA 15.A N CYS 37.A O no hydrogen 2.870 N/A GLY 16.A N ASP 38.A OD1 no hydrogen 2.956 N/A ARG 21.A N GLY 18.A O no hydrogen 3.264 N/A ARG 21.A NE THR 47.A OG1 no hydrogen 3.193 N/A ARG 21.A NH2 GLU 46.A OE1 no hydrogen 3.507 N/A ALA 22.A N GLY 18.A O no hydrogen 3.301 N/A VAL 23.A N ILE 19.A O no hydrogen 2.844 N/A SER 24.A N GLY 20.A O no hydrogen 3.330 N/A SER 24.A OG GLY 20.A O no hydrogen 3.013 N/A VAL 25.A N ARG 21.A O no hydrogen 3.043 N/A ARG 26.A N ALA 22.A O no hydrogen 2.892 N/A ARG 26.A NE GLU 30.A OE2 no hydrogen 3.116 N/A ARG 26.A NH1 ASP 220.A OD1 no hydrogen 3.129 N/A ARG 26.A NH2 ASP 220.A OD1 no hydrogen 2.999 N/A LEU 27.A N VAL 23.A O no hydrogen 2.890 N/A ALA 28.A N SER 24.A O no hydrogen 3.097 N/A GLY 29.A N VAL 25.A O no hydrogen 2.686 N/A GLU 30.A N LEU 27.A O no hydrogen 3.012 N/A GLY 31.A N ALA 28.A O no hydrogen 3.218 N/A ALA 32.A N LEU 27.A O no hydrogen 3.051 N/A THR 33.A N ALA 8.A O no hydrogen 2.928 N/A VAL 34.A N HIS 54.A ND1 no hydrogen 3.254 N/A ALA 35.A N ALA 10.A O no hydrogen 2.474 N/A ALA 36.A N ALA 55.A O no hydrogen 3.128 N/A CYS 37.A N VAL 12.A O no hydrogen 2.785 N/A CYS 37.A SG ALA 59.A O no hydrogen 3.899 N/A ASP 38.A N PHE 57.A O no hydrogen 3.220 N/A ASP 40.A N ASP 38.A OD2 no hydrogen 2.694 N/A ALA 43.A N ASP 40.A OD1 no hydrogen 2.598 N/A ALA 44.A N ASP 40.A O no hydrogen 3.104 N/A GLN 45.A N ARG 41.A O no hydrogen 3.051 N/A GLU 46.A N ALA 42.A O no hydrogen 2.962 N/A THR 47.A N ALA 43.A O no hydrogen 3.299 N/A THR 47.A N ALA 44.A O no hydrogen 3.270 N/A THR 47.A OG1 ALA 15.A O no hydrogen 2.668 N/A THR 47.A OG1 ALA 43.A O no hydrogen 2.975 N/A VAL 48.A N ALA 44.A O no hydrogen 3.217 N/A ARG 49.A N GLN 45.A O no hydrogen 3.203 N/A LEU 50.A N THR 47.A O no hydrogen 3.071 N/A LEU 51.A N VAL 48.A O no hydrogen 3.187 N/A PHE 57.A N ALA 36.A O no hydrogen 2.748 N/A SER 62.A OG ASP 60.A OD1 no hydrogen 3.074 N/A GLU 63.A N ASP 60.A O no hydrogen 3.027 N/A ALA 67.A N GLU 63.A O no hydrogen 3.258 N/A CYS 69.A N ARG 65.A O no hydrogen 2.948 N/A LEU 70.A N ALA 66.A O no hydrogen 3.166 N/A GLU 72.A N ARG 68.A O no hydrogen 3.302 N/A GLN 73.A N CYS 69.A O no hydrogen 3.011 N/A VAL 74.A N LEU 70.A O no hydrogen 3.027 N/A GLN 75.A N LEU 71.A O no hydrogen 3.146 N/A GLN 75.A NE2 LEU 71.A O no hydrogen 3.235 N/A CYS 77.A N GLN 73.A O no hydrogen 3.104 N/A PHE 78.A N VAL 74.A O no hydrogen 3.254 N/A SER 83.A OG LEU 9.A O no hydrogen 3.469 N/A VAL 84.A N LEU 9.A O no hydrogen 3.084 N/A VAL 85.A N SER 135.A O no hydrogen 3.250 N/A VAL 86.A N LEU 11.A O no hydrogen 2.938 N/A SER 87.A N ILE 137.A O no hydrogen 3.140 N/A CYS 88.A N THR 13.A O no hydrogen 3.128 N/A CYS 88.A N THR 13.A OG1 no hydrogen 3.095 N/A CYS 88.A SG VAL 86.A O no hydrogen 3.952 N/A ALA 89.A N THR 13.A OG1 no hydrogen 3.303 N/A ILE 91.A N ASN 112.A OD1 no hydrogen 2.941 N/A GLU 95.A N GLY 150.A O no hydrogen 3.017 N/A PHE 96.A N GLU 95.A OE2 no hydrogen 3.232 N/A HIS 99.A N PHE 96.A O no hydrogen 2.981 N/A SER 101.A N ASP 104.A OD2 no hydrogen 3.472 N/A SER 101.A OG ASP 104.A OD2 no hydrogen 3.160 N/A TRP 105.A N SER 101.A O no hydrogen 3.372 N/A ASP 106.A N GLU 102.A O no hydrogen 3.010 N/A LYS 107.A N ASP 103.A O no hydrogen 3.364 N/A LYS 107.A NZ ASP 103.A OD1 no hydrogen 3.548 N/A ILE 109.A N TRP 105.A O no hydrogen 3.166 N/A ALA 110.A N ASP 106.A O no hydrogen 2.957 N/A VAL 111.A N LYS 107.A O no hydrogen 3.248 N/A ASN 112.A N VAL 108.A O no hydrogen 2.785 N/A ASN 112.A ND2 ILE 91.A O no hydrogen 2.998 N/A LEU 113.A N ILE 109.A O no hydrogen 3.072 N/A LYS 114.A N ILE 109.A O no hydrogen 2.626 N/A LYS 114.A NZ SER 62.A O no hydrogen 3.009 N/A THR 116.A OG1 ASN 112.A O no hydrogen 2.665 N/A PHE 117.A N LEU 113.A O no hydrogen 3.038 N/A LEU 118.A N LYS 114.A O no hydrogen 3.195 N/A VAL 119.A N GLY 115.A O no hydrogen 3.171 N/A THR 120.A N THR 116.A O no hydrogen 2.781 N/A THR 120.A OG1 THR 116.A O no hydrogen 2.678 N/A THR 120.A OG1 ASN 138.A OD1 no hydrogen 3.354 N/A GLN 121.A N PHE 117.A O no hydrogen 2.894 N/A ALA 122.A N LEU 118.A O no hydrogen 2.982 N/A ALA 123.A N VAL 119.A O no hydrogen 3.129 N/A ALA 124.A N THR 120.A O no hydrogen 3.107 N/A GLN 125.A N GLN 121.A O no hydrogen 2.999 N/A ALA 126.A N ALA 122.A O no hydrogen 3.304 N/A ALA 126.A N ALA 123.A O no hydrogen 3.233 N/A LEU 127.A N ALA 123.A O no hydrogen 3.252 N/A LEU 127.A N ALA 124.A O no hydrogen 3.238 N/A VAL 128.A N ALA 124.A O no hydrogen 3.085 N/A SER 129.A N GLN 125.A O no hydrogen 3.145 N/A SER 129.A OG GLN 125.A O no hydrogen 2.500 N/A SER 129.A OG ASN 130.A OD1 no hydrogen 3.419 N/A ASN 130.A N LEU 127.A O no hydrogen 3.384 N/A GLY 131.A N VAL 128.A O no hydrogen 3.369 N/A CYS 132.A N LEU 127.A O no hydrogen 2.974 N/A CYS 132.A SG ASN 130.A O no hydrogen 3.579 N/A GLY 134.A N GLY 176.A O no hydrogen 3.309 N/A SER 135.A N SER 83.A O no hydrogen 2.773 N/A SER 135.A OG LEU 225.A O no hydrogen 2.575 N/A ILE 136.A N ARG 178.A O no hydrogen 2.719 N/A ILE 137.A N VAL 85.A O no hydrogen 2.757 N/A ASN 138.A N ASN 180.A O no hydrogen 3.033 N/A ASN 138.A ND2 THR 165.A OG1 no hydrogen 2.478 N/A ILE 139.A N SER 87.A O no hydrogen 3.257 N/A SER 140.A N VAL 182.A O no hydrogen 2.659 N/A SER 140.A OG SER 141.A O no hydrogen 3.556 N/A SER 140.A OG LYS 158.A O no hydrogen 2.737 N/A SER 141.A N SER 140.A OG no hydrogen 2.495 N/A ILE 142.A N PRO 184.A O no hydrogen 3.413 N/A VAL 143.A N SER 141.A OG no hydrogen 3.143 N/A GLY 144.A N SER 141.A O no hydrogen 3.042 N/A LYS 145.A N ILE 142.A O no hydrogen 3.093 N/A LYS 145.A NZ GLU 239.A OE2 no hydrogen 2.941 N/A VAL 146.A N ILE 142.A O no hydrogen 3.329 N/A GLY 147.A N VAL 143.A O no hydrogen 2.805 N/A ASN 148.A ND2 GLN 151.A OE1 no hydrogen 3.301 N/A VAL 149.A N ASN 148.A OD1 no hydrogen 2.869 N/A GLN 151.A N ASN 148.A O no hydrogen 3.012 N/A GLN 151.A NE2 ASP 94.A OD2 no hydrogen 3.570 N/A ASN 153.A ND2 GLN 93.A O no hydrogen 3.284 N/A ASN 153.A ND2 ASP 104.A O no hydrogen 2.731 N/A ALA 155.A N GLN 151.A O no hydrogen 2.736 N/A ALA 156.A N THR 152.A O no hydrogen 3.299 N/A SER 157.A OG ASN 153.A O no hydrogen 3.150 N/A SER 157.A OG TYR 154.A O no hydrogen 2.721 N/A LYS 158.A N TYR 154.A O no hydrogen 3.170 N/A LYS 158.A NZ ILE 139.A O no hydrogen 3.516 N/A ALA 159.A N ALA 155.A O no hydrogen 2.853 N/A GLY 160.A N ALA 156.A O no hydrogen 3.036 N/A VAL 161.A N SER 157.A O no hydrogen 2.876 N/A ILE 162.A N LYS 158.A O no hydrogen 3.316 N/A GLY 163.A N ALA 159.A O no hydrogen 3.321 N/A LEU 164.A N GLY 160.A O no hydrogen 2.803 N/A THR 165.A N VAL 161.A O no hydrogen 2.774 N/A THR 165.A OG1 VAL 161.A O no hydrogen 2.789 N/A GLN 166.A N ILE 162.A O no hydrogen 2.845 N/A THR 167.A N GLY 163.A O no hydrogen 3.110 N/A THR 167.A OG1 GLY 163.A O no hydrogen 2.880 N/A ALA 168.A N LEU 164.A O no hydrogen 3.002 N/A ALA 169.A N THR 165.A O no hydrogen 2.881 N/A ARG 170.A N GLN 166.A O no hydrogen 3.247 N/A ARG 170.A N THR 167.A O no hydrogen 3.180 N/A GLU 171.A N THR 167.A O no hydrogen 3.215 N/A GLU 171.A N ALA 168.A O no hydrogen 3.270 N/A LEU 172.A N ALA 168.A O no hydrogen 2.822 N/A GLY 176.A N GLY 173.A O no hydrogen 3.255 N/A ILE 177.A N LEU 172.A O no hydrogen 2.934 N/A ARG 178.A N GLY 134.A O no hydrogen 3.083 N/A ARG 178.A NH1 LEU 225.A O no hydrogen 3.488 N/A ARG 178.A NH1 ILE 233.A O no hydrogen 2.973 N/A ARG 178.A NH2 LEU 225.A O no hydrogen 2.810 N/A CYS 179.A N THR 234.A OG1 no hydrogen 3.058 N/A ASN 180.A N ILE 136.A O no hydrogen 2.995 N/A ASN 180.A ND2 ILE 233.A O no hydrogen 3.019 N/A SER 181.A N THR 236.A O no hydrogen 3.008 N/A VAL 182.A N ASN 138.A O no hydrogen 3.030 N/A LEU 183.A N VAL 238.A O no hydrogen 2.625 N/A GLY 185.A N VAL 240.A O no hydrogen 3.157 N/A ALA 188.A N GLY 213.A O no hydrogen 2.793 N/A MET 191.A N THR 189.A OG1 no hydrogen 2.986 N/A THR 192.A N THR 189.A OG1 no hydrogen 3.389 N/A GLN 193.A N PRO 190.A O no hydrogen 3.370 N/A LYS 194.A N MET 191.A O no hydrogen 3.159 N/A LYS 194.A NZ MET 191.A O no hydrogen 3.367 N/A VAL 195.A N THR 192.A O no hydrogen 3.182 N/A VAL 200.A N PRO 196.A O no hydrogen 2.813 N/A ASP 201.A N GLN 197.A O no hydrogen 2.825 N/A LYS 202.A N LYS 198.A O no hydrogen 3.211 N/A ILE 203.A N VAL 199.A O no hydrogen 2.901 N/A ILE 203.A N VAL 200.A O no hydrogen 3.072 N/A THR 204.A N VAL 200.A O no hydrogen 3.053 N/A THR 204.A OG1 ASP 201.A O no hydrogen 2.655 N/A GLU 205.A N ASP 201.A O no hydrogen 3.374 N/A MET 206.A N LYS 202.A O no hydrogen 3.357 N/A ILE 207.A N ILE 203.A O no hydrogen 2.842 N/A GLY 210.A N ILE 207.A O no hydrogen 2.803 N/A HIS 211.A ND1 LEU 212.A O no hydrogen 2.903 N/A GLY 213.A N PHE 186.A O no hydrogen 3.063 N/A ASP 214.A N ASP 217.A OD2 no hydrogen 2.763 N/A GLU 216.A N GLU 216.A OE1 no hydrogen 2.662 N/A ASP 217.A N ASP 214.A O no hydrogen 2.894 N/A ALA 219.A N PRO 215.A O no hydrogen 3.111 N/A ASP 220.A N ASP 217.A O no hydrogen 3.281 N/A VAL 222.A N VAL 218.A O no hydrogen 3.336 N/A ALA 223.A N ALA 219.A O no hydrogen 3.087 N/A PHE 224.A N ASP 220.A O no hydrogen 3.184 N/A LEU 225.A N VAL 221.A O no hydrogen 2.882 N/A ALA 226.A N VAL 222.A O no hydrogen 2.717 N/A SER 227.A N ALA 223.A O no hydrogen 3.169 N/A SER 227.A OG ALA 223.A O no hydrogen 3.117 N/A SER 227.A OG PHE 224.A O no hydrogen 2.812 N/A SER 230.A OG PHE 224.A O no hydrogen 2.676 N/A SER 230.A OG SER 227.A O no hydrogen 3.509 N/A ILE 233.A N SER 230.A O no hydrogen 2.960 N/A THR 234.A OG1 CYS 179.A O no hydrogen 3.303 N/A GLY 235.A N CYS 179.A O no hydrogen 2.522 N/A THR 236.A OG1 THR 234.A O no hydrogen 3.325 N/A VAL 238.A N SER 181.A O no hydrogen 2.736 N/A VAL 240.A N LEU 183.A O no hydrogen 3.104 N/A THR 241.A OG1 LEU 244.A O no hydrogen 3.102 N/A GLY 243.A N THR 241.A OG1 no hydrogen 3.261 N/A