Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qgy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 5.A N VAL 70.A O no hydrogen 2.608 N/A THR 10.A N TYR 27.A O no hydrogen 2.761 N/A VAL 12.A N LEU 25.A O no hydrogen 2.894 N/A GLN 13.A N LEU 25.A O no hydrogen 3.463 N/A ILE 15.A N VAL 23.A O no hydrogen 2.593 N/A GLY 21.A N GLY 18.A O no hydrogen 3.428 N/A LEU 22.A N THR 38.A O no hydrogen 3.069 N/A VAL 23.A N GLY 16.A O no hydrogen 3.204 N/A HIS 24.A N ILE 36.A O no hydrogen 2.840 N/A LEU 25.A N GLN 13.A O no hydrogen 2.756 N/A GLY 26.A N VAL 34.A O no hydrogen 2.669 N/A TYR 27.A N THR 10.A O no hydrogen 2.913 N/A TRP 28.A N ASP 32.A O no hydrogen 2.832 N/A TRP 28.A NE1 GLU 8.A OE1 no hydrogen 2.750 N/A LEU 29.A N GLU 8.A O no hydrogen 2.671 N/A LYS 31.A N TRP 28.A O no hydrogen 3.088 N/A ASP 32.A N TRP 28.A O no hydrogen 3.083 N/A LYS 33.A NZ GLU 85.A OE1 no hydrogen 3.306 N/A VAL 34.A N GLY 26.A O no hydrogen 2.779 N/A ALA 35.A N PHE 81.A O no hydrogen 3.223 N/A ILE 36.A N HIS 24.A O no hydrogen 2.637 N/A LYS 37.A N LEU 79.A O no hydrogen 2.836 N/A THR 38.A N LEU 22.A O no hydrogen 2.881 N/A THR 38.A OG1 LEU 22.A O no hydrogen 3.174 N/A ILE 39.A N ILE 77.A O no hydrogen 2.954 N/A LYS 40.A N PHE 20.A O no hydrogen 2.934 N/A LYS 40.A NZ GLY 21.A O no hydrogen 3.335 N/A SER 45.A OG ASP 47.A OD1 no hydrogen 3.054 N/A SER 45.A OG ASP 48.A OD2 no hydrogen 2.417 N/A ASP 48.A N SER 45.A O no hydrogen 3.243 N/A ASP 48.A N SER 45.A OG no hydrogen 3.020 N/A PHE 49.A N SER 45.A O no hydrogen 3.200 N/A ILE 50.A N GLU 46.A O no hydrogen 2.897 N/A GLU 51.A N ASP 47.A O no hydrogen 2.867 N/A GLU 52.A N ASP 48.A O no hydrogen 2.933 N/A ALA 53.A N PHE 49.A O no hydrogen 2.913 N/A GLU 54.A N ILE 50.A O no hydrogen 3.201 N/A MET 56.A N GLU 52.A O no hydrogen 3.132 N/A MET 57.A N ALA 53.A O no hydrogen 3.028 N/A LYS 58.A N VAL 55.A O no hydrogen 3.209 N/A LEU 59.A N VAL 55.A O no hydrogen 3.232 N/A SER 60.A N TYR 118.A OH no hydrogen 3.079 N/A LYS 63.A N HIS 61.A ND1 no hydrogen 2.985 N/A LYS 63.A NZ ASP 111.A OD1 no hydrogen 2.743 N/A LYS 63.A NZ GLU 114.A OE1 no hydrogen 2.902 N/A LEU 64.A N HIS 61.A O no hydrogen 2.857 N/A VAL 65.A N VAL 144.A O no hydrogen 3.194 N/A GLN 66.A N GLU 82.A OE2 no hydrogen 2.715 N/A TYR 68.A N VAL 80.A O no hydrogen 2.503 N/A GLY 69.A N VAL 80.A O no hydrogen 3.399 N/A VAL 70.A N VAL 3.A O no hydrogen 3.275 N/A CYS 71.A N CYS 78.A O no hydrogen 2.866 N/A CYS 71.A SG ASP 5.A O no hydrogen 3.275 N/A GLN 74.A NE2 GLU 73.A O no hydrogen 3.280 N/A CYS 78.A N CYS 71.A O no hydrogen 2.994 N/A LEU 79.A N LYS 37.A O no hydrogen 2.725 N/A VAL 80.A N GLY 69.A O no hydrogen 2.880 N/A PHE 81.A N ALA 35.A O no hydrogen 3.073 N/A GLU 82.A N GLN 66.A O no hydrogen 2.835 N/A HIS 86.A N VAL 136.A O no hydrogen 2.847 N/A GLY 87.A N MET 84.A O no hydrogen 3.315 N/A CYS 88.A SG.A SER 90.A OG no hydrogen 3.336 N/A CYS 88.A SG.B ARG 132.A O no hydrogen 3.538 N/A LEU 89.A N CYS 134.A O no hydrogen 2.856 N/A SER 90.A N ALA 131.A O no hydrogen 3.279 N/A TYR 92.A N CYS 88.A O no hydrogen 2.971 N/A LEU 93.A N LEU 89.A O no hydrogen 2.901 N/A ARG 94.A N SER 90.A O no hydrogen 3.174 N/A ARG 94.A NE GLY 183.A O no hydrogen 2.949 N/A THR 95.A N ASP 91.A O no hydrogen 3.059 N/A THR 95.A OG1 GLN 96.A OE1 no hydrogen 3.520 N/A GLN 96.A N TYR 92.A O no hydrogen 3.070 N/A ARG 97.A N ARG 94.A O no hydrogen 3.438 N/A ARG 97.A NE GLU 182.A O no hydrogen 2.908 N/A ARG 97.A NH2 GLU 182.A O no hydrogen 2.846 N/A GLY 98.A N GLU 182.A OE2 no hydrogen 3.085 N/A LEU 99.A N GLN 96.A O no hydrogen 3.001 N/A LEU 105.A N ALA 101.A O no hydrogen 3.340 N/A LEU 106.A N ALA 102.A O no hydrogen 2.855 N/A GLY 107.A N GLU 103.A O no hydrogen 2.809 N/A MET 108.A N THR 104.A O no hydrogen 2.992 N/A CYS 109.A N LEU 105.A O no hydrogen 3.214 N/A CYS 109.A SG LEU 105.A O no hydrogen 3.692 N/A LEU 110.A N LEU 106.A O no hydrogen 3.036 N/A ASP 111.A N GLY 107.A O no hydrogen 3.082 N/A VAL 112.A N MET 108.A O no hydrogen 3.230 N/A CYS 113.A N CYS 109.A O no hydrogen 2.897 N/A CYS 113.A SG PHE 233.A O no hydrogen 3.719 N/A GLU 114.A N LEU 110.A O no hydrogen 2.965 N/A GLY 115.A N ASP 111.A O no hydrogen 3.233 N/A MET 116.A N VAL 112.A O no hydrogen 2.840 N/A ALA 117.A N CYS 113.A O no hydrogen 2.735 N/A TYR 118.A N GLU 114.A O no hydrogen 2.984 N/A LEU 119.A N GLY 115.A O no hydrogen 2.986 N/A GLU 120.A N MET 116.A O no hydrogen 2.831 N/A GLU 121.A N ALA 117.A O no hydrogen 3.063 N/A ALA 122.A N TYR 118.A O no hydrogen 3.071 N/A CYS 123.A N GLU 120.A O no hydrogen 2.675 N/A VAL 124.A N LEU 119.A O no hydrogen 2.909 N/A HIS 126.A N ASP 168.A OD2 no hydrogen 2.831 N/A HIS 126.A NE2 SER 145.A O no hydrogen 3.060 N/A ARG 127.A N ASP 168.A OD1 no hydrogen 2.904 N/A ASP 128.A N HIS 126.A ND1 no hydrogen 2.961 N/A ALA 131.A N GLU 178.A OE2 no hydrogen 2.872 N/A ASN 133.A N ALA 130.A O no hydrogen 2.858 N/A ASN 133.A ND2 ASP 128.A O no hydrogen 2.682 N/A CYS 134.A N ALA 131.A O no hydrogen 3.240 N/A CYS 134.A SG ALA 130.A O no hydrogen 3.836 N/A LEU 135.A N LYS 143.A O no hydrogen 2.944 N/A VAL 136.A N GLY 87.A O no hydrogen 2.762 N/A GLY 137.A N VAL 141.A O no hydrogen 2.834 N/A GLN 140.A N GLY 137.A O no hydrogen 3.104 N/A GLN 140.A NE2 TYR 92.A OH no hydrogen 2.614 N/A ILE 142.A N ASP 111.A OD2 no hydrogen 2.851 N/A LYS 143.A N LEU 135.A O no hydrogen 2.939 N/A LYS 143.A NZ GLU 82.A OE1 no hydrogen 3.463 N/A LYS 143.A NZ GLU 82.A OE2 no hydrogen 2.819 N/A VAL 144.A N LYS 63.A O no hydrogen 2.768 N/A SER 145.A N ASN 133.A O no hydrogen 3.156 N/A LYS 151.A NZ PRO 186.A O no hydrogen 2.915 N/A LYS 151.A NZ TYR 187.A O no hydrogen 2.963 N/A TRP 152.A N PRO 149.A O no hydrogen 3.065 N/A TRP 152.A NE1 GLU 178.A OE2 no hydrogen 2.928 N/A ALA 153.A N VAL 150.A O no hydrogen 3.327 N/A SER 154.A OG GLU 156.A OE1 no hydrogen 2.595 N/A GLU 156.A N GLU 156.A OE2 no hydrogen 2.863 N/A VAL 157.A N SER 154.A O no hydrogen 2.866 N/A PHE 158.A N SER 154.A O no hydrogen 3.154 N/A SER 159.A N PRO 155.A O no hydrogen 2.925 N/A SER 159.A OG PRO 155.A O no hydrogen 2.972 N/A PHE 160.A N GLU 156.A O no hydrogen 2.940 N/A SER 161.A N VAL 157.A O no hydrogen 2.872 N/A ARG 162.A N GLU 156.A O no hydrogen 3.081 N/A SER 164.A N SER 167.A OG no hydrogen 2.926 N/A LYS 166.A NZ PRO 227.A O no hydrogen 2.963 N/A LYS 166.A NZ ARG 230.A O no hydrogen 2.487 N/A SER 167.A N SER 164.A O no hydrogen 3.116 N/A SER 167.A N SER 164.A OG no hydrogen 3.235 N/A SER 167.A OG SER 164.A O no hydrogen 2.699 N/A ASP 168.A N SER 164.A O no hydrogen 3.113 N/A VAL 169.A N SER 165.A O no hydrogen 2.895 N/A TRP 170.A N LYS 166.A O no hydrogen 3.360 N/A SER 171.A N SER 167.A O no hydrogen 3.149 N/A SER 171.A OG LEU 129.A O no hydrogen 2.818 N/A SER 171.A OG TRP 152.A O no hydrogen 3.248 N/A PHE 172.A N ASP 168.A O no hydrogen 2.756 N/A GLY 173.A N VAL 169.A O no hydrogen 2.877 N/A VAL 174.A N TRP 170.A O no hydrogen 3.186 N/A LEU 175.A N SER 171.A O no hydrogen 2.854 N/A MET 176.A N PHE 172.A O no hydrogen 2.737 N/A TRP 177.A N GLY 173.A O no hydrogen 2.966 N/A TRP 177.A NE1 TYR 206.A O no hydrogen 2.752 N/A GLU 178.A N VAL 174.A O no hydrogen 2.866 N/A VAL 179.A N LEU 175.A O no hydrogen 2.860 N/A PHE 180.A N MET 176.A O no hydrogen 2.989 N/A SER 181.A N TRP 177.A O no hydrogen 2.968 N/A SER 181.A OG TRP 177.A O no hydrogen 3.044 N/A SER 181.A OG GLU 178.A O no hydrogen 3.354 N/A GLU 182.A N VAL 179.A O no hydrogen 3.116 N/A GLY 183.A N GLU 178.A O no hydrogen 2.673 N/A LYS 184.A N SER 181.A OG no hydrogen 3.006 N/A SER 191.A N GLU 194.A OE1 no hydrogen 3.166 N/A GLU 194.A N SER 191.A OG no hydrogen 3.314 N/A VAL 195.A N SER 191.A O no hydrogen 2.916 N/A VAL 196.A N ASN 192.A O no hydrogen 2.849 N/A GLU 197.A N SER 193.A O no hydrogen 2.839 N/A ASP 198.A N GLU 194.A O no hydrogen 2.868 N/A ILE 199.A N VAL 195.A O no hydrogen 2.839 N/A SER 200.A N VAL 196.A O no hydrogen 2.863 N/A SER 200.A OG VAL 196.A O no hydrogen 2.558 N/A THR 201.A N GLU 197.A O no hydrogen 2.858 N/A THR 201.A N ASP 198.A O no hydrogen 3.226 N/A THR 201.A OG1 GLU 197.A O no hydrogen 3.137 N/A THR 201.A OG1 ASP 198.A O no hydrogen 2.688 N/A GLY 202.A N ILE 199.A O no hydrogen 2.988 N/A PHE 203.A N ASP 198.A O no hydrogen 2.944 N/A ARG 204.A NE TRP 223.A O no hydrogen 2.901 N/A ARG 204.A NH1 ILE 199.A O no hydrogen 3.154 N/A ARG 204.A NH1 PHE 203.A O no hydrogen 2.799 N/A ARG 204.A NH2 TRP 223.A O no hydrogen 2.894 N/A LYS 207.A NZ PRO 208.A O no hydrogen 3.504 N/A LYS 207.A NZ ALA 211.A O no hydrogen 2.865 N/A ALA 211.A N PRO 208.A O no hydrogen 3.032 N/A VAL 215.A N SER 212.A OG no hydrogen 3.123 N/A TYR 216.A N SER 212.A O no hydrogen 2.957 N/A TYR 216.A OH LEU 205.A O no hydrogen 2.657 N/A GLN 217.A N THR 213.A O no hydrogen 2.952 N/A ILE 218.A N HIS 214.A O no hydrogen 3.277 N/A MET 219.A N VAL 215.A O no hydrogen 3.003 N/A ASN 220.A N TYR 216.A O no hydrogen 2.972 N/A ASN 220.A ND2 TYR 216.A O no hydrogen 3.033 N/A HIS 221.A N GLN 217.A O no hydrogen 3.130 N/A HIS 221.A N ILE 218.A O no hydrogen 3.003 N/A CYS 222.A N ILE 218.A O no hydrogen 3.212 N/A CYS 222.A SG ILE 218.A O no hydrogen 3.452 N/A TRP 223.A N ASN 220.A O no hydrogen 3.256 N/A LYS 224.A N HIS 221.A O no hydrogen 3.439 N/A ASP 229.A N ARG 226.A O no hydrogen 2.616 N/A ARG 230.A N PRO 227.A O no hydrogen 2.978 N/A ARG 230.A NE LYS 224.A O no hydrogen 2.756 N/A ARG 230.A NH1 GLU 156.A OE1 no hydrogen 2.966 N/A ARG 230.A NH1 LYS 166.A O no hydrogen 3.091 N/A ARG 230.A NH2 GLU 156.A OE2 no hydrogen 3.155 N/A ARG 230.A NH2 LYS 224.A O no hydrogen 3.088 N/A PHE 233.A N GLU 120.A OE1 no hydrogen 2.803 N/A SER 234.A N GLU 120.A OE2 no hydrogen 3.125 N/A ARG 235.A N ALA 232.A O no hydrogen 2.961 N/A LEU 236.A N ALA 232.A O no hydrogen 2.902 N/A LEU 237.A N PHE 233.A O no hydrogen 2.859 N/A ARG 238.A NH1 SER 234.A O no hydrogen 2.952 N/A GLN 239.A N ARG 235.A O no hydrogen 3.116 N/A LEU 240.A N LEU 236.A O no hydrogen 2.844 N/A ALA 241.A N LEU 237.A O no hydrogen 2.918 N/A GLU 242.A N ARG 238.A O no hydrogen 3.051 N/A ILE 243.A N GLN 239.A O no hydrogen 3.252 N/A ALA 244.A N LEU 240.A O no hydrogen 2.910 N/A GLU 245.A N GLU 242.A O no hydrogen 3.148 N/A SER 246.A OG GLU 245.A O no hydrogen 2.437 N/A