Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8xxn_3K.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N ALA 1.A O no hydrogen 2.875 N/A MET 6.A N MET 2.A O no hydrogen 2.955 N/A ARG 7.A N PHE 3.A O no hydrogen 2.959 N/A ARG 7.A NH2 TYR 41.A O no hydrogen 2.429 N/A ALA 8.A N GLU 4.A O no hydrogen 2.902 N/A ASN 9.A N GLN 5.A O no hydrogen 2.909 N/A VAL 10.A N MET 6.A O no hydrogen 2.908 N/A GLY 11.A N ARG 7.A O no hydrogen 2.920 N/A LYS 12.A NZ ARG 7.A O no hydrogen 3.304 N/A LEU 14.A N VAL 10.A O no hydrogen 3.292 N/A ARG 19.A NH2 GLU 44.A O no hydrogen 3.118 N/A ARG 19.A NH2 GLU 44.A OE1 no hydrogen 2.376 N/A ASN 24.A N ASN 21.A O no hydrogen 3.430 N/A THR 27.A N ASN 24.A O no hydrogen 3.249 N/A LEU 28.A N ASN 24.A O no hydrogen 3.053 N/A GLU 29.A N LEU 25.A O no hydrogen 2.914 N/A TYR 31.A N THR 27.A O no hydrogen 2.944 N/A TYR 31.A OH ASP 42.A OD2 no hydrogen 2.498 N/A VAL 32.A N LEU 28.A O no hydrogen 2.903 N/A GLU 33.A N GLU 29.A O no hydrogen 2.994 N/A THR 34.A N ARG 30.A O no hydrogen 2.960 N/A GLN 35.A N TYR 31.A O no hydrogen 2.857 N/A GLN 35.A NE2 ASN 46.A OD1 no hydrogen 3.349 N/A ALA 36.A N VAL 32.A O no hydrogen 2.936 N/A LYS 37.A N GLU 33.A O no hydrogen 2.940 N/A GLU 38.A N THR 34.A O no hydrogen 2.943 N/A ASN 39.A ND2 THR 131.A O no hydrogen 2.424 N/A ALA 40.A N GLN 35.A O no hydrogen 2.913 N/A ASP 42.A N GLN 35.A OE1 no hydrogen 2.806 N/A ASN 46.A N ASP 42.A O no hydrogen 2.936 N/A ASN 46.A ND2 GLN 35.A OE1 no hydrogen 3.013 N/A LEU 47.A N LEU 43.A O no hydrogen 2.934 N/A ALA 48.A N GLU 44.A O no hydrogen 2.860 N/A VAL 49.A N ALA 45.A O no hydrogen 2.946 N/A LEU 50.A N ASN 46.A O no hydrogen 2.946 N/A LYS 51.A N LEU 47.A O no hydrogen 2.869 N/A LEU 52.A N ALA 48.A O no hydrogen 2.918 N/A TYR 53.A N VAL 49.A O no hydrogen 2.916 N/A TYR 53.A OH GLU 29.A OE2 no hydrogen 2.854 N/A GLN 54.A N LEU 50.A O no hydrogen 2.900 N/A PHE 55.A N LYS 51.A O no hydrogen 2.877 N/A ASN 56.A N LEU 52.A O no hydrogen 2.921 N/A PHE 59.A N ASN 56.A O no hydrogen 3.341 N/A GLN 61.A NE2 PHE 59.A O no hydrogen 3.441 N/A THR 65.A N GLN 61.A O no hydrogen 2.974 N/A THR 65.A OG1 GLN 61.A O no hydrogen 2.954 N/A THR 65.A OG1 THR 62.A O no hydrogen 2.643 N/A ALA 66.A N THR 62.A O no hydrogen 2.888 N/A GLN 67.A N THR 63.A O no hydrogen 2.895 N/A ILE 68.A N VAL 64.A O no hydrogen 2.953 N/A LEU 69.A N THR 65.A O no hydrogen 2.917 N/A LEU 70.A N ALA 66.A O no hydrogen 2.920 N/A LYS 71.A N GLN 67.A O no hydrogen 2.922 N/A LYS 71.A NZ VAL 32.A O no hydrogen 3.079 N/A ALA 72.A N ILE 68.A O no hydrogen 2.949 N/A LEU 73.A N LEU 69.A O no hydrogen 2.902 N/A THR 74.A N LEU 70.A O no hydrogen 2.928 N/A THR 74.A OG1 LYS 71.A O no hydrogen 2.289 N/A ASN 75.A N LYS 71.A O no hydrogen 2.923 N/A ASN 75.A ND2 ASP 80.A OD2 no hydrogen 2.771 N/A HIS 78.A N ASN 75.A O no hydrogen 3.202 N/A THR 82.A OG1 THR 79.A O no hydrogen 2.621 N/A LEU 83.A N THR 79.A O no hydrogen 2.954 N/A CYS 84.A N ASP 80.A O no hydrogen 2.878 N/A CYS 84.A SG ASP 80.A O no hydrogen 3.714 N/A CYS 84.A SG PHE 81.A O no hydrogen 3.191 N/A LYS 85.A N PHE 81.A O no hydrogen 2.884 N/A LYS 85.A NZ ASP 106.A OD1 no hydrogen 2.445 N/A CYS 86.A N THR 82.A O no hydrogen 2.963 N/A CYS 86.A N LEU 83.A O no hydrogen 3.226 N/A CYS 86.A SG THR 82.A O no hydrogen 3.552 N/A CYS 86.A SG LEU 83.A O no hydrogen 3.100 N/A MET 87.A N LEU 83.A O no hydrogen 2.923 N/A ILE 88.A N CYS 84.A O no hydrogen 2.977 N/A HIS 92.A N ASP 89.A O no hydrogen 3.160 N/A GLN 93.A N GLN 90.A O no hydrogen 3.344 N/A ILE 98.A N GLU 95.A O no hydrogen 2.943 N/A ARG 99.A N GLU 95.A O no hydrogen 3.405 N/A GLN 100.A NE2 ASP 121.A OD2 no hydrogen 3.383 N/A ILE 101.A N PRO 97.A O no hydrogen 2.926 N/A LEU 102.A N ILE 98.A O no hydrogen 2.892 N/A TYR 103.A N ARG 99.A O no hydrogen 2.919 N/A LEU 104.A N GLN 100.A O no hydrogen 2.882 N/A GLY 105.A N ILE 101.A O no hydrogen 2.882 N/A ASP 106.A N LEU 102.A O no hydrogen 2.888 N/A LEU 107.A N TYR 103.A O no hydrogen 2.930 N/A LEU 108.A N LEU 104.A O no hydrogen 2.923 N/A GLU 109.A N GLY 105.A O no hydrogen 2.865 N/A THR 110.A N ASP 106.A O no hydrogen 2.916 N/A THR 110.A OG1 ASP 106.A O no hydrogen 2.788 N/A THR 110.A OG1 LEU 107.A O no hydrogen 3.243 N/A THR 110.A OG1 HIS 112.A ND1 no hydrogen 2.722 N/A CYS 111.A N LEU 108.A O no hydrogen 2.992 N/A CYS 111.A SG THR 110.A O no hydrogen 3.128 N/A HIS 112.A N LEU 107.A O no hydrogen 2.550 N/A HIS 112.A ND1 THR 110.A OG1 no hydrogen 2.722 N/A GLN 114.A NE2 GLU 159.A O no hydrogen 3.316 N/A PHE 116.A N HIS 112.A O no hydrogen 2.932 N/A TRP 117.A N PHE 113.A O no hydrogen 2.883 N/A GLN 118.A N GLN 114.A O no hydrogen 2.882 N/A GLN 118.A NE2 ASP 163.A OD2 no hydrogen 3.155 N/A ALA 119.A N GLN 114.A O no hydrogen 3.216 N/A MET 124.A N ASN 123.A OD1 no hydrogen 2.702 N/A GLY 129.A N ASP 125.A O no hydrogen 2.890 N/A ILE 130.A N LEU 126.A O no hydrogen 2.902 N/A THR 131.A OG1 LYS 37.A O no hydrogen 2.460 N/A THR 131.A OG1 ASN 39.A OD1 no hydrogen 2.319 N/A SER 136.A N GLY 132.A O no hydrogen 2.876 N/A SER 136.A OG GLY 132.A O no hydrogen 3.155 N/A SER 136.A OG PHE 133.A O no hydrogen 2.915 N/A VAL 137.A N PHE 133.A O no hydrogen 2.950 N/A ARG 138.A N GLU 134.A O no hydrogen 2.858 N/A ARG 138.A NE GLU 134.A OE2 no hydrogen 3.307 N/A LYS 139.A N ASP 135.A O no hydrogen 2.922 N/A PHE 140.A N SER 136.A O no hydrogen 2.931 N/A ILE 141.A N VAL 137.A O no hydrogen 2.888 N/A CYS 142.A N ARG 138.A O no hydrogen 2.891 N/A CYS 142.A SG ARG 138.A O no hydrogen 3.185 N/A HIS 143.A N LYS 139.A O no hydrogen 2.911 N/A VAL 144.A N PHE 140.A O no hydrogen 2.968 N/A VAL 145.A N ILE 141.A O no hydrogen 2.952 N/A GLY 146.A N CYS 142.A O no hydrogen 2.898 N/A ILE 147.A N HIS 143.A O no hydrogen 2.918 N/A THR 148.A N VAL 144.A O no hydrogen 2.945 N/A THR 148.A OG1 VAL 144.A O no hydrogen 3.107 N/A TYR 149.A N VAL 145.A O no hydrogen 2.859 N/A HIS 151.A ND1 ILE 186.A O no hydrogen 3.122 N/A HIS 151.A NE2 GLN 191.A OE1 no hydrogen 2.956 N/A ARG 154.A NE GLY 184.A O no hydrogen 2.895 N/A ARG 154.A NH2 GLN 185.A O no hydrogen 2.420 N/A TRP 155.A N ASP 153.A OD1 no hydrogen 3.051 N/A LEU 157.A N ASP 153.A O no hydrogen 2.941 N/A ALA 158.A N ARG 154.A O no hydrogen 2.856 N/A GLU 159.A N TRP 155.A O no hydrogen 2.977 N/A MET 160.A N LEU 156.A O no hydrogen 2.894 N/A LEU 161.A N LEU 157.A O no hydrogen 2.863 N/A GLY 162.A N ALA 158.A O no hydrogen 2.932 N/A ASP 163.A N ALA 158.A O no hydrogen 2.585 N/A GLN 168.A N SER 165.A O no hydrogen 3.143 N/A LEU 169.A N SER 165.A O no hydrogen 2.960 N/A LYS 170.A N ASP 166.A O no hydrogen 2.858 N/A TRP 172.A N GLN 168.A O no hydrogen 3.019 N/A SER 174.A N LYS 170.A O no hydrogen 2.852 N/A SER 174.A OG LYS 170.A O no hydrogen 2.916 N/A LYS 175.A N VAL 171.A O no hydrogen 2.983 N/A TYR 176.A N MET 173.A O no hydrogen 2.992 N/A GLY 177.A N MET 173.A O no hydrogen 2.916 N/A SER 179.A N PHE 187.A O no hydrogen 2.967 N/A ASP 181.A N GLN 185.A O no hydrogen 2.924 N/A GLU 182.A N GLU 182.A OE1 no hydrogen 2.821 N/A SER 183.A OG GLU 182.A O no hydrogen 2.849 N/A SER 183.A OG SER 183.A O no hydrogen 2.377 N/A GLN 185.A NE2 ASP 181.A OD2 no hydrogen 3.026 N/A PHE 187.A N SER 179.A O no hydrogen 2.864 N/A CYS 189.A SG SER 190.A O no hydrogen 3.240 N/A GLN 191.A NE2 GLN 150.A OE1 no hydrogen 2.539 N/A LYS 198.A NZ LYS 196.A O no hydrogen 3.410 N/A LYS 203.A NZ ILE 204.A O no hydrogen 3.258 N/A ASP 205.A N SER 208.A OG no hydrogen 2.760 N/A SER 208.A N ASP 205.A OD1 no hydrogen 2.604 N/A SER 208.A OG ASP 205.A O no hydrogen 2.335 N/A VAL 209.A N ASP 205.A O no hydrogen 2.986 N/A SER 210.A OG PHE 206.A O no hydrogen 2.373 N/A MET 213.A N VAL 209.A O no hydrogen 3.304 N/A ALA 214.A N SER 210.A O no hydrogen 2.806 N/A SER 215.A N SER 211.A O no hydrogen 2.934 N/A SER 215.A OG SER 211.A O no hydrogen 2.765 N/A SER 215.A OG ILE 212.A O no hydrogen 3.057 N/A SER 216.A N ILE 212.A O no hydrogen 2.892 N/A SER 216.A OG ILE 212.A O no hydrogen 2.626 N/A SER 216.A OG MET 213.A O no hydrogen 3.002 N/A GLN 217.A N MET 213.A O no hydrogen 2.943 N/A GLN 217.A NE2 ALA 214.A O no hydrogen 2.985 N/A