Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qxj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 3.A N THR 111.A O no hydrogen 2.827 N/A HIS 4.A N ASP 115.A O no hydrogen 3.005 N/A HIS 4.A NE2 GLY 223.A O no hydrogen 2.902 N/A LEU 6.A N VAL 117.A O no hydrogen 2.862 N/A PHE 7.A N LYS 145.A O no hydrogen 2.796 N/A ILE 8.A N VAL 119.A O no hydrogen 2.765 N/A SER 9.A N LEU 147.A O no hydrogen 2.940 N/A SER 9.A OG.C LEU 147.A O no hydrogen 3.538 N/A ALA 10.A N SER 9.A OG.A no hydrogen 2.814 N/A THR 11.A N ILE 149.A O no hydrogen 2.922 N/A THR 11.A OG1 ASN 12.A OD1 no hydrogen 2.697 N/A THR 11.A OG1 ILE 149.A O no hydrogen 3.560 N/A ASN 12.A ND2 THR 13.A O no hydrogen 2.883 N/A ALA 15.A N ASN 12.A O no hydrogen 3.212 N/A THR 18.A OG1 ASP 54.A OD2 no hydrogen 2.901 N/A THR 18.A OG1 GLU 120.A OE1 no hydrogen 2.504 N/A THR 18.A OG1 GLU 120.A OE2 no hydrogen 2.826 N/A CYS 20.A N GLY 16.A O no hydrogen 2.902 N/A CYS 20.A SG GLY 16.A O no hydrogen 3.278 N/A ALA 21.A N LYS 17.A O no hydrogen 2.766 N/A ARG 22.A N THR 18.A O no hydrogen 2.928 N/A ARG 22.A NE ASP 61.A OD2 no hydrogen 2.818 N/A ARG 22.A NH2 ASP 61.A OD1 no hydrogen 2.940 N/A LEU 23.A N THR 19.A O no hydrogen 3.018 N/A LEU 24.A N CYS 20.A O no hydrogen 2.826 N/A ALA 25.A N ALA 21.A O no hydrogen 2.869 N/A GLN 26.A N ARG 22.A O no hydrogen 2.935 N/A TYR 27.A N LEU 23.A O no hydrogen 2.998 N/A CYS 28.A N LEU 24.A O no hydrogen 2.831 N/A CYS 28.A SG LEU 24.A O no hydrogen 3.347 N/A ASN 29.A N ALA 25.A O no hydrogen 2.836 N/A ASN 29.A ND2 ALA 25.A O no hydrogen 3.063 N/A ASN 29.A ND2 THR 35.A O no hydrogen 3.098 N/A ALA 30.A N GLN 26.A O no hydrogen 2.925 N/A CYS 31.A N TYR 27.A O no hydrogen 3.057 N/A CYS 31.A N CYS 28.A O no hydrogen 3.000 N/A CYS 31.A SG TYR 27.A O no hydrogen 3.350 N/A GLY 32.A N ASN 29.A O no hydrogen 3.009 N/A VAL 33.A N CYS 28.A O no hydrogen 2.908 N/A LYS 34.A N ASP 115.A OD2 no hydrogen 2.856 N/A LYS 34.A NZ THR 113.A O no hydrogen 2.847 N/A THR 35.A N ASN 29.A OD1 no hydrogen 2.968 N/A THR 35.A OG1 VAL 33.A O no hydrogen 2.782 N/A ILE 36.A N LEU 116.A O no hydrogen 3.025 N/A LEU 37.A N ASN 62.A OD1 no hydrogen 2.994 N/A LEU 38.A N ILE 118.A O no hydrogen 2.816 N/A LYS 39.A N ILE 74.A O no hydrogen 3.007 N/A LYS 39.A NZ ASP 54.A OD2 no hydrogen 3.100 N/A LYS 39.A NZ GLU 120.A OE2 no hydrogen 2.936 N/A LYS 39.A NZ GLY 121.A O no hydrogen 2.731 N/A GLU 42.A N TYR 77.A O no hydrogen 2.935 N/A THR 43.A OG1 SER 83.A O no hydrogen 3.215 N/A GLY 44.A N LYS 81.A O no hydrogen 2.916 N/A VAL 45.A N TYR 79.A O no hydrogen 2.958 N/A ALA 48.A N ASN 46.A OD1 no hydrogen 3.314 N/A ILE 49.A N ASN 46.A O no hydrogen 3.229 N/A ASN 50.A N ASN 46.A O no hydrogen 2.929 N/A ASN 50.A ND2 SER 52.A OG.A no hydrogen 3.416 N/A SER 52.A N.A ASN 50.A OD1 no hydrogen 2.749 N/A SER 52.A N.B ASN 50.A OD1 no hydrogen 2.699 N/A SER 52.A OG.A ASN 50.A OD1 no hydrogen 3.216 N/A SER 53.A OG GLU 42.A OE1 no hydrogen 3.371 N/A SER 53.A OG HIS 56.A ND1 no hydrogen 2.724 N/A ASP 54.A N GLU 42.A OE2 no hydrogen 2.841 N/A ALA 55.A N GLU 42.A OE1 no hydrogen 3.009 N/A HIS 56.A N SER 53.A OG no hydrogen 3.225 N/A HIS 56.A ND1 SER 53.A OG no hydrogen 2.724 N/A LEU 57.A N SER 53.A O no hydrogen 2.956 N/A PHE 58.A N ASP 54.A O no hydrogen 2.868 N/A LEU 59.A N ALA 55.A O no hydrogen 2.836 N/A GLN 60.A N HIS 56.A O no hydrogen 3.047 N/A ASP 61.A N LEU 57.A O no hydrogen 3.166 N/A ASN 62.A N PHE 58.A O no hydrogen 2.758 N/A ASN 62.A ND2 LEU 37.A O no hydrogen 2.817 N/A ARG 63.A N LEU 59.A O no hydrogen 2.904 N/A ARG 63.A NE ARG 67.A O no hydrogen 2.943 N/A ARG 63.A NH1 ARG 67.A O no hydrogen 2.865 N/A LEU 64.A N ASP 61.A O no hydrogen 3.204 N/A LEU 65.A N ASN 62.A O no hydrogen 2.910 N/A ASP 66.A N ASN 62.A O no hydrogen 3.156 N/A SER 68.A N ASP 66.A OD1 no hydrogen 2.903 N/A SER 68.A OG ASP 66.A OD1 no hydrogen 2.680 N/A SER 68.A OG ASP 66.A OD2 no hydrogen 3.283 N/A LEU 69.A N ASP 66.A O no hydrogen 3.278 N/A THR 70.A N ASP 73.A OD2 no hydrogen 2.828 N/A THR 70.A OG1 ASP 73.A OD2 no hydrogen 2.963 N/A LYS 72.A NZ THR 70.A OG1 no hydrogen 3.114 N/A ASP 73.A N THR 70.A O no hydrogen 2.946 N/A ILE 74.A N LEU 71.A O no hydrogen 3.057 N/A SER 75.A N LEU 71.A O no hydrogen 3.091 N/A SER 75.A OG LYS 39.A O no hydrogen 2.728 N/A PHE 76.A N PRO 40.A O no hydrogen 2.917 N/A TYR 77.A N PRO 40.A O no hydrogen 3.027 N/A ARG 78.A NE ASP 47.A OD2 no hydrogen 2.832 N/A ARG 78.A NH1 GLU 42.A OE1 no hydrogen 2.875 N/A ARG 78.A NH1 SER 75.A OG no hydrogen 2.804 N/A ARG 78.A NH2 ASP 47.A OD1 no hydrogen 2.833 N/A ARG 78.A NH2 SER 53.A OG no hydrogen 2.879 N/A TYR 79.A N GLU 42.A O no hydrogen 3.024 N/A HIS 80.A N GLU 92.A OE1 no hydrogen 2.926 N/A HIS 80.A ND1 VAL 45.A O no hydrogen 2.759 N/A LYS 81.A N GLU 92.A OE2 no hydrogen 2.755 N/A LYS 81.A NZ GLU 91.A OE1 no hydrogen 2.794 N/A SER 83.A OG ALA 84.A O no hydrogen 2.981 N/A LEU 86.A N PRO 128.A O no hydrogen 3.071 N/A ALA 88.A N ALA 84.A O no hydrogen 3.117 N/A GLN 89.A N PRO 85.A O no hydrogen 2.854 N/A GLN 89.A NE2 ASP 93.A O no hydrogen 2.899 N/A GLN 90.A N LEU 86.A O no hydrogen 2.987 N/A GLU 91.A N ILE 87.A O no hydrogen 3.005 N/A GLU 92.A N ALA 88.A O no hydrogen 2.858 N/A ASP 93.A N GLN 89.A O no hydrogen 2.767 N/A ALA 96.A N ASP 93.A O no hydrogen 2.949 N/A ASP 99.A N TYR 77.A OH no hydrogen 3.095 N/A THR 100.A OG1 GLU 133.A OE1 no hydrogen 3.485 N/A THR 100.A OG1 GLU 133.A OE2 no hydrogen 2.673 N/A ASN 102.A N ASP 99.A OD1 no hydrogen 2.986 N/A LEU 103.A N ASP 99.A O no hydrogen 2.989 N/A THR 104.A N THR 100.A O no hydrogen 2.857 N/A THR 104.A OG1 THR 100.A O no hydrogen 2.827 N/A GLN 105.A N ASP 101.A O no hydrogen 3.085 N/A ARG 106.A N ASN 102.A O no hydrogen 2.986 N/A LEU 107.A N LEU 103.A O no hydrogen 2.864 N/A HIS 108.A N.A THR 104.A O no hydrogen 2.913 N/A HIS 108.A N.B THR 104.A O no hydrogen 2.871 N/A HIS 108.A NE2.A LEU 142.A O no hydrogen 2.790 N/A ASN 109.A N.A GLN 105.A O no hydrogen 2.927 N/A ASN 109.A N.B GLN 105.A O no hydrogen 2.981 N/A PHE 110.A N LEU 107.A O no hydrogen 3.150 N/A THR 111.A N HIS 108.A O.A no hydrogen 2.928 N/A THR 111.A N HIS 108.A O.B no hydrogen 3.029 N/A THR 111.A OG1 GLN 2.A OE1 no hydrogen 2.958 N/A THR 111.A OG1 HIS 108.A O.A no hydrogen 2.756 N/A THR 111.A OG1 HIS 108.A O.B no hydrogen 2.603 N/A LYS 112.A N ASN 109.A O.A no hydrogen 3.242 N/A LYS 112.A N ASN 109.A O.B no hydrogen 2.976 N/A LYS 112.A NZ ASN 109.A OD1.A no hydrogen 2.712 N/A THR 113.A N PHE 110.A O no hydrogen 3.218 N/A THR 113.A OG1 PHE 110.A O no hydrogen 3.503 N/A TYR 114.A N PHE 110.A O no hydrogen 3.061 N/A LEU 116.A N LYS 34.A O no hydrogen 3.080 N/A VAL 117.A N HIS 4.A O no hydrogen 2.854 N/A ILE 118.A N ILE 36.A O no hydrogen 2.831 N/A VAL 119.A N LEU 6.A O no hydrogen 2.815 N/A GLU 120.A N LEU 38.A O no hydrogen 2.885 N/A GLY 121.A N ILE 8.A O no hydrogen 2.927 N/A GLY 124.A N ALA 122.A O no hydrogen 2.865 N/A VAL 127.A N GLY 124.A O no hydrogen 3.128 N/A ILE 129.A N GLU 133.A O no hydrogen 2.854 N/A THR 130.A N GLU 133.A O no hydrogen 3.123 N/A THR 130.A OG1 GLU 133.A OE1 no hydrogen 2.802 N/A GLU 132.A N THR 130.A OG1 no hydrogen 3.294 N/A GLU 133.A N THR 130.A OG1 no hydrogen 2.990 N/A ASN 134.A N ASP 137.A OD2 no hydrogen 2.906 N/A MET 135.A N VAL 127.A O no hydrogen 3.098 N/A LEU 136.A N LEU 125.A O no hydrogen 3.011 N/A ASP 137.A N ASN 134.A OD1 no hydrogen 2.880 N/A PHE 138.A N ASN 134.A O no hydrogen 3.009 N/A ALA 139.A N MET 135.A O no hydrogen 2.935 N/A LEU 140.A N LEU 136.A O no hydrogen 2.817 N/A LYS 141.A N ASP 137.A O no hydrogen 2.918 N/A LYS 141.A NZ THR 100.A OG1 no hydrogen 2.750 N/A LYS 141.A NZ ASP 101.A OD1 no hydrogen 2.835 N/A LYS 141.A NZ GLU 133.A OE2 no hydrogen 3.496 N/A LEU 142.A N PHE 138.A O no hydrogen 2.972 N/A LYS 143.A N LEU 140.A O no hydrogen 3.094 N/A ALA 144.A N ALA 139.A O no hydrogen 3.454 N/A LYS 145.A N MET 5.A O no hydrogen 3.037 N/A LYS 145.A NZ PHE 219.A O no hydrogen 2.833 N/A LYS 145.A NZ ALA 220.A O no hydrogen 3.104 N/A LYS 145.A NZ LYS 222.A O no hydrogen 2.856 N/A MET 146.A N ASP 173.A O no hydrogen 2.929 N/A LEU 147.A N PHE 7.A O no hydrogen 2.806 N/A LEU 148.A N LYS 175.A O.A no hydrogen 2.822 N/A LEU 148.A N LYS 175.A O.B no hydrogen 2.916 N/A ILE 149.A N SER 9.A O no hydrogen 2.872 N/A SER 150.A N ALA 177.A O no hydrogen 2.868 N/A SER 150.A OG HIS 151.A O no hydrogen 2.802 N/A HIS 151.A N THR 11.A OG1 no hydrogen 3.320 N/A HIS 151.A NE2 ASP 159.A OD2 no hydrogen 2.757 N/A ASN 153.A N HIS 151.A ND1 no hydrogen 3.016 N/A LEU 156.A N ASN 153.A O no hydrogen 2.982 N/A ASP 159.A N GLY 155.A O no hydrogen 3.102 N/A CYS 160.A N LEU 156.A O no hydrogen 2.820 N/A CYS 160.A SG SER 150.A OG no hydrogen 3.252 N/A CYS 160.A SG LEU 156.A O no hydrogen 3.295 N/A LEU 161.A N ILE 157.A O no hydrogen 2.962 N/A LEU 162.A N ASN 158.A O no hydrogen 2.881 N/A ASN 163.A N ASP 159.A O no hydrogen 3.146 N/A ASN 163.A ND2 ASP 159.A O no hydrogen 2.790 N/A ASP 164.A N CYS 160.A O no hydrogen 2.794 N/A PHE 165.A N LEU 161.A O no hydrogen 2.918 N/A LEU 166.A N LEU 162.A O no hydrogen 3.175 N/A LEU 167.A N ASN 163.A O no hydrogen 2.848 N/A LYS 168.A N ASP 164.A O no hydrogen 2.860 N/A SER 169.A N LEU 166.A O no hydrogen 3.210 N/A SER 169.A OG PHE 165.A O no hydrogen 2.687 N/A HIS 170.A N LEU 167.A O no hydrogen 3.008 N/A HIS 170.A ND1 LEU 166.A O no hydrogen 2.754 N/A LEU 172.A N HIS 170.A O no hydrogen 3.215 N/A TYR 174.A OH ASP 164.A OD1 no hydrogen 2.616 N/A LYS 175.A N.A MET 146.A O no hydrogen 2.865 N/A LYS 175.A N.B MET 146.A O no hydrogen 2.914 N/A LYS 175.A NZ.A ASN 204.A OD1 no hydrogen 2.867 N/A LYS 175.A NZ.A PRO 205.A O no hydrogen 2.829 N/A LYS 175.A NZ.B ASN 204.A OD1 no hydrogen 2.934 N/A LYS 175.A NZ.B PRO 205.A O no hydrogen 3.173 N/A ALA 177.A N LEU 148.A O no hydrogen 2.888 N/A ILE 178.A N VAL 207.A O no hydrogen 2.847 N/A ASN 179.A N SER 150.A O no hydrogen 2.860 N/A ASN 179.A ND2 ALA 15.A O no hydrogen 2.940 N/A LEU 180.A N GLN 210.A OE1 no hydrogen 2.929 N/A LYS 181.A N ASP 152.A OD2 no hydrogen 2.922 N/A ASN 184.A N LYS 181.A O no hydrogen 3.464 N/A ASN 184.A ND2 ASP 152.A O no hydrogen 2.993 N/A ASN 184.A ND2 ASP 152.A OD2 no hydrogen 2.863 N/A PHE 187.A N ASN 184.A OD1 no hydrogen 2.966 N/A HIS 188.A N THR 185.A O no hydrogen 3.172 N/A SER 189.A N ALA 186.A O no hydrogen 3.024 N/A ILE 190.A N ALA 186.A O no hydrogen 2.931 N/A SER 191.A N PHE 187.A O no hydrogen 2.981 N/A LEU 192.A N PHE 187.A O no hydrogen 2.942 N/A TYR 194.A N SER 191.A O no hydrogen 3.044 N/A ILE 195.A N SER 191.A O no hydrogen 3.191 N/A GLU 196.A N LEU 192.A O no hydrogen 2.890 N/A LEU 197.A N PRO 193.A O no hydrogen 3.237 N/A PHE 198.A N TYR 194.A O no hydrogen 2.768 N/A ASN 199.A N ILE 195.A O no hydrogen 2.927 N/A ASN 199.A ND2 ILE 206.A O no hydrogen 2.883 N/A THR 200.A N GLU 196.A O no hydrogen 3.232 N/A THR 200.A N LEU 197.A O no hydrogen 3.088 N/A THR 200.A OG1 LEU 197.A O no hydrogen 2.783 N/A ARG 201.A N PHE 198.A O no hydrogen 3.031 N/A SER 202.A OG ASN 204.A O no hydrogen 3.054 N/A ASN 204.A N SER 202.A OG no hydrogen 3.094 N/A ASN 204.A ND2 TYR 174.A O no hydrogen 2.932 N/A ILE 206.A N ASN 199.A OD1 no hydrogen 2.800 N/A VAL 207.A N ILE 176.A O no hydrogen 3.009 N/A PHE 209.A N ILE 178.A O no hydrogen 2.750 N/A GLN 210.A N GLN 210.A OE1 no hydrogen 2.810 N/A GLN 210.A NE2 ASN 179.A OD1 no hydrogen 2.910 N/A GLN 211.A N ILE 208.A O no hydrogen 3.005 N/A SER 212.A N PHE 209.A O no hydrogen 2.834 N/A SER 212.A OG ILE 208.A O no hydrogen 2.678 N/A LEU 216.A N SER 212.A O no hydrogen 2.789 N/A MET 217.A N LEU 213.A O.A no hydrogen 2.984 N/A MET 217.A N LEU 213.A O.B no hydrogen 2.950 N/A SER 218.A N LYS 214.A O no hydrogen 2.959 N/A PHE 219.A N VAL 215.A O no hydrogen 2.899 N/A ALA 220.A N LEU 216.A O no hydrogen 2.901 N/A LEU 221.A N MET 217.A O no hydrogen 3.035 N/A LEU 221.A N SER 218.A O no hydrogen 3.266 N/A LYS 222.A N PHE 219.A O no hydrogen 3.500 N/A LYS 222.A NZ ASP 173.A OD2.B no hydrogen 3.048 N/A