Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pqn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 2.A N VAL 66.A O no hydrogen 2.804 N/A ASP 3.A N GLU 6.A OE2.B no hydrogen 2.734 N/A SER 5.A N ASP 3.A OD1 no hydrogen 2.957 N/A SER 5.A OG ASP 3.A OD1 no hydrogen 2.723 N/A GLU 6.A N ASP 3.A O no hydrogen 2.950 N/A LEU 7.A N PRO 4.A O no hydrogen 3.052 N/A THR 8.A N TYR 23.A O no hydrogen 2.951 N/A THR 8.A OG1 ASN 26.A OD1 no hydrogen 3.377 N/A VAL 10.A N LEU 21.A O no hydrogen 2.845 N/A GLN 11.A N LEU 21.A O no hydrogen 3.431 N/A ILE 13.A N VAL 19.A O no hydrogen 2.795 N/A GLY 14.A N VAL 19.A O no hydrogen 3.237 N/A SER 15.A OG GLU 12.A OE2 no hydrogen 3.372 N/A GLY 16.A N GLY 17.A O no hydrogen 2.801 N/A LEU 18.A N THR 34.A O no hydrogen 3.192 N/A VAL 19.A N GLY 14.A O no hydrogen 2.852 N/A HIS 20.A N ILE 32.A O no hydrogen 2.811 N/A LEU 21.A N GLN 11.A O no hydrogen 2.813 N/A GLY 22.A N VAL 30.A O no hydrogen 2.866 N/A TYR 23.A N THR 8.A O no hydrogen 2.922 N/A TRP 24.A N ASP 28.A O no hydrogen 2.820 N/A TRP 24.A NE1 GLU 6.A OE1.A no hydrogen 3.086 N/A TRP 24.A NE1 GLU 6.A OE1.B no hydrogen 3.004 N/A LEU 25.A N GLU 6.A O no hydrogen 2.819 N/A LYS 27.A N TRP 24.A O no hydrogen 3.284 N/A LYS 27.A NZ ASP 28.A OD1 no hydrogen 3.267 N/A ASP 28.A N TRP 24.A O no hydrogen 3.436 N/A VAL 30.A N GLY 22.A O no hydrogen 2.897 N/A ALA 31.A N PHE 77.A O no hydrogen 2.836 N/A ILE 32.A N HIS 20.A O no hydrogen 2.760 N/A LYS 33.A N LEU 75.A O no hydrogen 2.807 N/A LYS 33.A NZ ASP 142.A OD1 no hydrogen 2.569 N/A LYS 33.A NZ ASP 142.A OD2 no hydrogen 3.454 N/A THR 34.A N LEU 18.A O no hydrogen 2.912 N/A THR 34.A OG1 LEU 18.A O no hydrogen 3.402 N/A ALA 39.A N ARG 36.A O no hydrogen 2.645 N/A SER 41.A N ASP 44.A OD1 no hydrogen 2.918 N/A ASP 44.A N SER 41.A OG no hydrogen 3.217 N/A PHE 45.A N SER 41.A O no hydrogen 3.333 N/A ILE 46.A N GLU 42.A O no hydrogen 2.809 N/A GLU 47.A N GLU 43.A O no hydrogen 2.830 N/A GLU 48.A N ASP 44.A O no hydrogen 3.056 N/A ALA 49.A N PHE 45.A O no hydrogen 2.980 N/A GLU 50.A N ILE 46.A O no hydrogen 2.884 N/A VAL 51.A N GLU 47.A O no hydrogen 3.141 N/A MET 52.A N GLU 48.A O no hydrogen 2.767 N/A MET 53.A N ALA 49.A O no hydrogen 2.804 N/A LYS 54.A N VAL 51.A O no hydrogen 3.246 N/A LEU 55.A N MET 52.A O no hydrogen 3.056 N/A SER 56.A N TYR 114.A OH no hydrogen 2.969 N/A SER 56.A OG GLN 62.A OE1 no hydrogen 3.161 N/A LYS 59.A N HIS 57.A ND1 no hydrogen 3.028 N/A LYS 59.A NZ ASP 107.A OD1 no hydrogen 2.816 N/A LYS 59.A NZ GLU 110.A OE1 no hydrogen 2.722 N/A LEU 60.A N HIS 57.A O no hydrogen 3.195 N/A VAL 61.A N VAL 140.A O no hydrogen 2.954 N/A GLN 62.A N GLU 78.A OE2 no hydrogen 2.984 N/A GLN 62.A NE2 LEU 55.A O no hydrogen 3.019 N/A GLN 62.A NE2 LEU 63.A O no hydrogen 3.283 N/A TYR 64.A N VAL 76.A O no hydrogen 2.754 N/A CYS 67.A N CYS 74.A O no hydrogen 2.816 N/A CYS 67.A SG ILE 2.A O no hydrogen 3.414 N/A ILE 73.A N GLU 42.A OE2 no hydrogen 2.892 N/A CYS 74.A N CYS 67.A O no hydrogen 3.140 N/A LEU 75.A N LYS 33.A O no hydrogen 2.913 N/A VAL 76.A N GLY 65.A O no hydrogen 2.934 N/A PHE 77.A N ALA 31.A O no hydrogen 2.818 N/A GLU 78.A N GLN 62.A O no hydrogen 2.916 N/A HIS 82.A N VAL 132.A O no hydrogen 2.939 N/A GLY 83.A N MET 80.A O no hydrogen 3.256 N/A CYS 84.A SG SER 86.A OG no hydrogen 3.423 N/A LEU 85.A N CYS 130.A O no hydrogen 2.794 N/A SER 86.A N ALA 127.A O no hydrogen 3.275 N/A TYR 88.A N CYS 84.A O no hydrogen 3.149 N/A TYR 88.A OH GLN 136.A OE1 no hydrogen 2.483 N/A LEU 89.A N LEU 85.A O no hydrogen 2.836 N/A ARG 90.A N SER 86.A O no hydrogen 3.184 N/A ARG 90.A NE GLY 180.A O no hydrogen 2.797 N/A ARG 90.A NH2 GLY 180.A O no hydrogen 3.440 N/A THR 91.A N ASP 87.A O no hydrogen 2.846 N/A THR 91.A OG1 ASP 87.A O no hydrogen 2.835 N/A GLN 92.A N TYR 88.A O no hydrogen 2.903 N/A ARG 93.A NE GLU 179.A O no hydrogen 2.950 N/A ARG 93.A NH2 GLU 179.A O no hydrogen 2.864 N/A GLY 94.A N GLU 179.A OE1 no hydrogen 2.911 N/A LEU 95.A N GLN 92.A O no hydrogen 3.081 N/A LEU 101.A N ALA 97.A O no hydrogen 3.189 N/A LEU 102.A N ALA 98.A O no hydrogen 2.854 N/A GLY 103.A N GLU 99.A O no hydrogen 3.020 N/A MET 104.A N THR 100.A O no hydrogen 3.033 N/A CYS 105.A N LEU 101.A O no hydrogen 3.096 N/A CYS 105.A SG LEU 101.A O no hydrogen 3.544 N/A LEU 106.A N LEU 102.A O no hydrogen 2.901 N/A ASP 107.A N GLY 103.A O no hydrogen 2.916 N/A VAL 108.A N MET 104.A O no hydrogen 3.180 N/A CYS 109.A N CYS 105.A O no hydrogen 2.918 N/A CYS 109.A SG PHE 230.A O no hydrogen 3.774 N/A GLU 110.A N LEU 106.A O no hydrogen 2.888 N/A GLY 111.A N ASP 107.A O no hydrogen 3.135 N/A MET 112.A N VAL 108.A O no hydrogen 2.855 N/A ALA 113.A N CYS 109.A O no hydrogen 2.803 N/A TYR 114.A N GLU 110.A O no hydrogen 3.048 N/A LEU 115.A N GLY 111.A O no hydrogen 3.022 N/A GLU 116.A N MET 112.A O no hydrogen 2.821 N/A GLU 117.A N ALA 113.A O no hydrogen 2.953 N/A ALA 118.A N TYR 114.A O no hydrogen 2.863 N/A SER 119.A N GLU 116.A O no hydrogen 3.157 N/A VAL 120.A N LEU 115.A O no hydrogen 2.942 N/A HIS 122.A N ASP 165.A OD2 no hydrogen 2.785 N/A HIS 122.A NE2 SER 141.A O no hydrogen 2.876 N/A ARG 123.A N ASP 165.A OD1 no hydrogen 2.900 N/A ASP 124.A N HIS 122.A ND1 no hydrogen 3.118 N/A ALA 127.A N GLU 175.A OE2 no hydrogen 2.915 N/A ARG 128.A NH1.A ASP 124.A OD1 no hydrogen 3.165 N/A ARG 128.A NH1.A ASP 124.A OD2 no hydrogen 3.228 N/A ARG 128.A NH2.A ASP 124.A OD1 no hydrogen 2.848 N/A ASN 129.A N ALA 126.A O no hydrogen 2.922 N/A ASN 129.A ND2 ASP 124.A O no hydrogen 2.769 N/A ASN 129.A ND2 ASP 124.A OD2 no hydrogen 3.091 N/A CYS 130.A N ALA 127.A O no hydrogen 3.141 N/A CYS 130.A SG ALA 126.A O no hydrogen 3.668 N/A LEU 131.A N LYS 139.A O no hydrogen 2.749 N/A VAL 132.A N GLY 83.A O no hydrogen 2.877 N/A GLY 133.A N VAL 137.A O no hydrogen 2.791 N/A GLN 136.A N GLY 133.A O no hydrogen 3.251 N/A VAL 137.A N GLU 134.A O no hydrogen 3.189 N/A ILE 138.A N ASP 107.A OD2 no hydrogen 2.887 N/A LYS 139.A N LEU 131.A O no hydrogen 2.931 N/A LYS 139.A NZ PRO 58.A O no hydrogen 3.072 N/A LYS 139.A NZ GLU 78.A OE1 no hydrogen 2.736 N/A VAL 140.A N LYS 59.A O no hydrogen 2.930 N/A SER 141.A N ASN 129.A O no hydrogen 2.781 N/A VAL 147.A N PHE 145.A O no hydrogen 2.729 N/A LYS 148.A NZ.A PRO 183.A O no hydrogen 3.270 N/A LYS 148.A NZ.A ARG 187.A O no hydrogen 2.717 N/A TRP 149.A N PRO 146.A O no hydrogen 3.112 N/A TRP 149.A NE1 GLU 175.A OE2 no hydrogen 2.865 N/A ALA 150.A N VAL 147.A O no hydrogen 2.994 N/A SER 151.A OG GLU 153.A OE2 no hydrogen 2.828 N/A GLU 153.A N GLU 153.A OE1 no hydrogen 2.832 N/A VAL 154.A N SER 151.A O no hydrogen 3.020 N/A VAL 154.A N SER 151.A OG no hydrogen 3.341 N/A PHE 155.A N SER 151.A O no hydrogen 2.960 N/A SER 156.A N PRO 152.A O no hydrogen 2.842 N/A SER 156.A OG PRO 152.A O no hydrogen 2.834 N/A PHE 157.A N GLU 153.A O no hydrogen 3.035 N/A SER 158.A N VAL 154.A O no hydrogen 2.911 N/A ARG 159.A N GLU 153.A O no hydrogen 3.129 N/A SER 161.A N SER 164.A OG no hydrogen 2.963 N/A LYS 163.A NZ PRO 224.A O no hydrogen 3.254 N/A LYS 163.A NZ ARG 227.A O no hydrogen 2.749 N/A SER 164.A N SER 161.A O no hydrogen 3.024 N/A SER 164.A N SER 161.A OG no hydrogen 3.137 N/A SER 164.A OG SER 161.A O no hydrogen 2.926 N/A ASP 165.A N SER 161.A O no hydrogen 3.196 N/A VAL 166.A N SER 162.A O no hydrogen 2.930 N/A TRP 167.A N LYS 163.A O no hydrogen 3.295 N/A SER 168.A N SER 164.A O no hydrogen 3.219 N/A SER 168.A OG TRP 149.A O no hydrogen 2.730 N/A SER 168.A OG SER 164.A O no hydrogen 3.356 N/A PHE 169.A N ASP 165.A O no hydrogen 2.791 N/A GLY 170.A N VAL 166.A O no hydrogen 2.945 N/A VAL 171.A N TRP 167.A O no hydrogen 3.199 N/A LEU 172.A N SER 168.A O no hydrogen 2.789 N/A MET 173.A N PHE 169.A O no hydrogen 2.777 N/A TRP 174.A N GLY 170.A O no hydrogen 3.048 N/A TRP 174.A NE1 TYR 203.A O no hydrogen 2.817 N/A GLU 175.A N VAL 171.A O no hydrogen 2.865 N/A VAL 176.A N LEU 172.A O no hydrogen 2.866 N/A PHE 177.A N MET 173.A O no hydrogen 2.895 N/A SER 178.A N TRP 174.A O no hydrogen 2.736 N/A SER 178.A OG.A TRP 174.A O no hydrogen 2.747 N/A SER 178.A OG.A GLU 175.A O no hydrogen 3.055 N/A SER 178.A OG.B TRP 174.A O no hydrogen 2.651 N/A GLU 179.A N VAL 176.A O no hydrogen 2.964 N/A GLY 180.A N GLU 175.A O no hydrogen 2.884 N/A LYS 181.A N SER 178.A O no hydrogen 3.403 N/A ASN 186.A N PRO 183.A O no hydrogen 3.326 N/A ARG 187.A N TYR 184.A O no hydrogen 2.868 N/A ARG 187.A NE ASP 195.A OD2 no hydrogen 2.977 N/A ARG 187.A NH2 ASP 195.A OD2 no hydrogen 3.261 N/A SER 188.A N GLU 191.A OE1 no hydrogen 2.987 N/A SER 188.A OG GLU 191.A OE1 no hydrogen 2.885 N/A ASN 189.A ND2 PHE 145.A O no hydrogen 2.841 N/A GLU 191.A N SER 188.A OG no hydrogen 3.128 N/A VAL 192.A N SER 188.A O no hydrogen 2.879 N/A VAL 193.A N ASN 189.A O no hydrogen 2.907 N/A GLU 194.A N SER 190.A O no hydrogen 3.023 N/A ASP 195.A N GLU 191.A O no hydrogen 2.813 N/A ILE 196.A N VAL 192.A O no hydrogen 2.949 N/A SER 197.A N VAL 193.A O no hydrogen 2.948 N/A SER 197.A OG VAL 193.A O no hydrogen 2.935 N/A THR 198.A N GLU 194.A O no hydrogen 3.187 N/A GLY 199.A N ILE 196.A O no hydrogen 3.017 N/A PHE 200.A N ASP 195.A O no hydrogen 2.956 N/A ARG 201.A NE TRP 220.A O no hydrogen 2.846 N/A ARG 201.A NH1 ILE 196.A O no hydrogen 3.229 N/A ARG 201.A NH1 PHE 200.A O no hydrogen 2.882 N/A ARG 201.A NH2 TRP 220.A O no hydrogen 2.859 N/A LYS 204.A NZ PRO 205.A O no hydrogen 3.040 N/A LYS 204.A NZ ALA 208.A O no hydrogen 2.776 N/A ALA 208.A N PRO 205.A O no hydrogen 3.086 N/A VAL 212.A N SER 209.A OG no hydrogen 3.034 N/A TYR 213.A N SER 209.A O no hydrogen 2.954 N/A TYR 213.A OH LEU 202.A O no hydrogen 2.660 N/A GLN 214.A N THR 210.A O no hydrogen 3.017 N/A ILE 215.A N HIS 211.A O no hydrogen 3.269 N/A MET 216.A N VAL 212.A O no hydrogen 3.008 N/A ASN 217.A N TYR 213.A O no hydrogen 3.013 N/A ASN 217.A ND2 TYR 213.A O no hydrogen 3.274 N/A HIS 218.A N GLN 214.A O no hydrogen 2.996 N/A CYS 219.A N ILE 215.A O no hydrogen 3.174 N/A CYS 219.A SG ILE 215.A O no hydrogen 3.520 N/A TRP 220.A N ASN 217.A O no hydrogen 3.071 N/A LYS 221.A N HIS 218.A O no hydrogen 3.466 N/A ARG 223.A NE ASP 226.A OD2 no hydrogen 3.015 N/A ARG 223.A NH2 ASP 226.A OD1 no hydrogen 2.891 N/A ARG 223.A NH2 ASP 226.A OD2 no hydrogen 3.458 N/A ASP 226.A N ARG 223.A O no hydrogen 3.016 N/A ARG 227.A N PRO 224.A O no hydrogen 3.002 N/A ARG 227.A NE LYS 221.A O no hydrogen 2.794 N/A ARG 227.A NH1 GLU 153.A OE2 no hydrogen 2.816 N/A ARG 227.A NH1 LYS 163.A O no hydrogen 3.002 N/A ARG 227.A NH2 GLU 153.A OE1 no hydrogen 2.877 N/A ARG 227.A NH2 LYS 221.A O no hydrogen 3.032 N/A PHE 230.A N GLU 116.A OE1 no hydrogen 2.947 N/A SER 231.A N GLU 116.A OE2 no hydrogen 3.103 N/A ARG 232.A N ALA 229.A O no hydrogen 2.945 N/A LEU 233.A N ALA 229.A O no hydrogen 2.908 N/A LEU 234.A N PHE 230.A O no hydrogen 2.815 N/A ARG 235.A N SER 231.A O no hydrogen 3.463 N/A ARG 235.A NH1.A SER 231.A O no hydrogen 2.772 N/A GLN 236.A N ARG 232.A O no hydrogen 3.031 N/A LEU 237.A N LEU 233.A O no hydrogen 2.836 N/A ALA 238.A N LEU 234.A O no hydrogen 2.875 N/A ALA 239.A N ARG 235.A O no hydrogen 3.082 N/A ALA 239.A N GLN 236.A O no hydrogen 3.224 N/A ILE 240.A N LEU 237.A O no hydrogen 3.285 N/A