Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kag_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A N GLU 4.A OE2 no hydrogen 2.771 N/A GLU 4.A N LYS 1.A O no hydrogen 3.111 N/A LEU 5.A N GLY 2.A O no hydrogen 3.086 N/A PHE 6.A N GLU 3.A O no hydrogen 3.074 N/A THR 7.A OG1 GLU 4.A O no hydrogen 3.548 N/A VAL 10.A N GLY 33.A O no hydrogen 2.890 N/A ILE 12.A N GLY 31.A O no hydrogen 2.905 N/A LEU 13.A N LEU 114.A O no hydrogen 2.979 N/A VAL 14.A N GLY 29.A O no hydrogen 2.886 N/A GLU 15.A N ASN 116.A O no hydrogen 2.943 N/A LEU 16.A N.A VAL 27.A O no hydrogen 2.859 N/A LEU 16.A N.B VAL 27.A O no hydrogen 2.887 N/A ASP 17.A N.A ILE 118.A O no hydrogen 2.954 N/A ASP 17.A N.B ILE 118.A O no hydrogen 3.035 N/A GLY 18.A N PHE 25.A O no hydrogen 2.851 N/A ASP 19.A N LEU 120.A O no hydrogen 3.009 N/A VAL 20.A N HIS 23.A O no hydrogen 2.940 N/A ASN 21.A N GLY 122.A O no hydrogen 2.866 N/A ASN 21.A ND2 PHE 125.A O no hydrogen 2.887 N/A ASN 21.A ND2 GLU 127.A OE1.A no hydrogen 3.106 N/A HIS 23.A N VAL 20.A O no hydrogen 2.864 N/A HIS 23.A NE2 GLU 127.A OE1.B no hydrogen 2.768 N/A HIS 23.A NE2 GLU 127.A OE2.A no hydrogen 2.896 N/A LYS 24.A NZ ASP 19.A OD2 no hydrogen 2.456 N/A PHE 25.A N GLY 18.A O no hydrogen 2.999 N/A SER 26.A N THR 48.A OG1 no hydrogen 3.117 N/A SER 26.A OG ASP 17.A OD1.B no hydrogen 2.856 N/A VAL 27.A N LEU 16.A O.A no hydrogen 2.905 N/A VAL 27.A N LEU 16.A O.B no hydrogen 2.970 N/A SER 28.A N.A ILE 45.A O no hydrogen 2.981 N/A SER 28.A N.B ILE 45.A O no hydrogen 3.000 N/A SER 28.A N.C ILE 45.A O no hydrogen 2.969 N/A GLY 29.A N VAL 14.A O no hydrogen 2.818 N/A GLU 30.A N LYS 43.A O no hydrogen 3.047 N/A GLY 31.A N ILE 12.A O no hydrogen 3.177 N/A GLU 32.A N THR 41.A O.A no hydrogen 2.969 N/A GLU 32.A N THR 41.A O.B no hydrogen 3.031 N/A GLY 33.A N VAL 10.A O no hydrogen 2.930 N/A ASP 34.A N LYS 39.A O no hydrogen 2.834 N/A THR 36.A N.A ASP 34.A OD1 no hydrogen 3.196 N/A THR 36.A N.B ASP 34.A OD1 no hydrogen 3.153 N/A THR 36.A OG1.A ASP 34.A OD1 no hydrogen 2.801 N/A THR 36.A OG1.B THR 7.A O no hydrogen 3.504 N/A THR 36.A OG1.B ASP 34.A OD1 no hydrogen 3.422 N/A TYR 37.A N ASP 34.A O no hydrogen 3.132 N/A GLY 38.A N ALA 35.A O no hydrogen 3.246 N/A LYS 39.A N ASP 34.A O no hydrogen 3.096 N/A LEU 40.A N.A GLU 216.A O.A no hydrogen 2.982 N/A LEU 40.A N.A GLU 216.A O.B no hydrogen 2.854 N/A LEU 40.A N.B GLU 216.A O.A no hydrogen 3.046 N/A LEU 40.A N.B GLU 216.A O.B no hydrogen 2.970 N/A THR 41.A N.A GLU 32.A O no hydrogen 2.946 N/A THR 41.A N.B GLU 32.A O no hydrogen 3.029 N/A LEU 42.A N LEU 214.A O.A no hydrogen 2.932 N/A LEU 42.A N LEU 214.A O.B no hydrogen 2.969 N/A LYS 43.A N GLU 30.A O no hydrogen 2.993 N/A LYS 43.A NZ GLU 207.A OE1 no hydrogen 2.734 N/A PHE 44.A N MET 212.A O no hydrogen 2.835 N/A ILE 45.A N SER 28.A O.A no hydrogen 2.878 N/A ILE 45.A N SER 28.A O.B no hydrogen 2.857 N/A ILE 45.A N SER 28.A O.C no hydrogen 2.797 N/A CYS 46.A N ASP 210.A O no hydrogen 2.962 N/A CYS 46.A SG SER 26.A O no hydrogen 3.665 N/A CYS 46.A SG THR 48.A OG1 no hydrogen 3.364 N/A CYS 46.A SG GLY 49.A O no hydrogen 3.367 N/A THR 47.A N SER 26.A O no hydrogen 2.980 N/A THR 47.A OG1 SER 26.A O no hydrogen 3.436 N/A LEU 51.A N ASP 210.A OD2 no hydrogen 2.835 N/A TRP 55.A NE1 ASP 210.A OD1 no hydrogen 2.935 N/A THR 57.A N PRO 54.A O no hydrogen 2.957 N/A THR 57.A OG1 PRO 54.A O no hydrogen 2.816 N/A THR 57.A OG1 TYR 101.A OH no hydrogen 2.814 N/A LEU 58.A N TRP 55.A O no hydrogen 2.971 N/A VAL 59.A N PRO 56.A O no hydrogen 3.324 N/A THR 60.A OG1 HIS 176.A NE2 no hydrogen 2.725 N/A LEU 62.A N LEU 58.A O no hydrogen 2.942 N/A PHE 66.A N VAL 63.A O no hydrogen 2.982 N/A SER 67.A N GLN 64.A O no hydrogen 3.161 N/A SER 67.A OG GLN 64.A O no hydrogen 2.784 N/A ARG 68.A N.A VAL 218.A O no hydrogen 2.884 N/A ARG 68.A N.B VAL 218.A O no hydrogen 2.882 N/A ARG 68.A NH2.B THR 36.A O.A no hydrogen 3.036 N/A ARG 68.A NH2.B THR 36.A O.B no hydrogen 2.713 N/A TYR 69.A OH HIS 193.A NE2 no hydrogen 2.695 N/A MET 73.A N.A PRO 70.A O no hydrogen 2.695 N/A MET 73.A N.B PRO 70.A O no hydrogen 2.919 N/A LYS 74.A N ASP 71.A O no hydrogen 3.217 N/A LYS 74.A NZ TYR 69.A O no hydrogen 2.822 N/A LYS 74.A NZ ASP 71.A OD1 no hydrogen 2.785 N/A HIS 76.A N.A MET 73.A O.A no hydrogen 3.100 N/A HIS 76.A N.A MET 73.A O.B no hydrogen 2.743 N/A HIS 76.A N.B MET 73.A O.A no hydrogen 3.010 N/A HIS 76.A N.B MET 73.A O.B no hydrogen 2.665 N/A ASP 77.A N LYS 74.A O no hydrogen 3.363 N/A PHE 78.A N HIS 76.A O.B no hydrogen 3.138 N/A LYS 80.A N ASP 77.A OD1 no hydrogen 3.108 N/A LYS 80.A NZ CYS 65.A O no hydrogen 2.900 N/A LYS 80.A NZ SER 67.A O no hydrogen 2.821 N/A LYS 80.A NZ ASP 77.A OD2 no hydrogen 2.829 N/A SER 81.A N.A ASP 77.A O no hydrogen 3.187 N/A SER 81.A N.B ASP 77.A O no hydrogen 3.127 N/A SER 81.A N.C ASP 77.A O no hydrogen 3.156 N/A SER 81.A OG.A ASP 77.A O no hydrogen 3.493 N/A SER 81.A OG.A PHE 78.A O no hydrogen 3.005 N/A SER 81.A OG.B ASP 77.A O no hydrogen 2.849 N/A ALA 82.A N PHE 78.A O no hydrogen 3.077 N/A MET 83.A N LYS 80.A O no hydrogen 2.983 N/A GLU 85.A N GLU 85.A OE2 no hydrogen 2.846 N/A GLY 86.A N ALA 82.A O no hydrogen 2.813 N/A TYR 87.A N VAL 107.A O no hydrogen 2.919 N/A VAL 88.A N THR 181.A O no hydrogen 2.859 N/A GLN 89.A N ALA 105.A O no hydrogen 2.864 N/A GLU 90.A N GLN 179.A O no hydrogen 2.955 N/A ARG 91.A N THR 103.A O no hydrogen 3.069 N/A ARG 91.A NE GLN 178.A OE1 no hydrogen 2.830 N/A ARG 91.A NH1 THR 60.A O no hydrogen 2.824 N/A ARG 91.A NH2 GLN 178.A OE1 no hydrogen 2.873 N/A THR 92.A N.A TYR 177.A O no hydrogen 2.947 N/A THR 92.A N.B TYR 177.A O no hydrogen 2.977 N/A ILE 93.A N TYR 101.A O no hydrogen 2.854 N/A PHE 94.A N ASP 175.A O.A no hydrogen 2.891 N/A PHE 94.A N ASP 175.A O.B no hydrogen 2.967 N/A PHE 95.A N GLY 99.A O no hydrogen 3.017 N/A LYS 96.A N LEU 173.A O no hydrogen 3.009 N/A ASP 98.A N PHE 95.A O no hydrogen 2.932 N/A GLY 99.A N ASP 98.A OD1 no hydrogen 2.948 N/A ASN 100.A N ILE 123.A O no hydrogen 3.016 N/A TYR 101.A N ILE 93.A O no hydrogen 2.883 N/A TYR 101.A OH THR 57.A OG1 no hydrogen 2.814 N/A LYS 102.A N LYS 121.A O no hydrogen 2.828 N/A THR 103.A N ARG 91.A O no hydrogen 2.922 N/A ARG 104.A N GLU 119.A O no hydrogen 3.009 N/A ARG 104.A NH1 GLU 106.A OE2 no hydrogen 2.956 N/A ARG 104.A NH2 GLU 106.A OE2 no hydrogen 3.281 N/A ALA 105.A N GLN 89.A O no hydrogen 2.848 N/A GLU 106.A N ARG 117.A O.A no hydrogen 2.962 N/A GLU 106.A N ARG 117.A O.B no hydrogen 2.961 N/A VAL 107.A N TYR 87.A O no hydrogen 2.933 N/A LYS 108.A N VAL 115.A O no hydrogen 2.992 N/A LYS 108.A NZ GLU 106.A OE1 no hydrogen 2.901 N/A PHE 109.A N PRO 84.A O no hydrogen 3.170 N/A GLU 110.A N THR 113.A O no hydrogen 2.891 N/A THR 113.A N GLU 110.A O no hydrogen 3.175 N/A THR 113.A OG1 ASP 112.A OD1 no hydrogen 2.893 N/A LEU 114.A N PRO 11.A O no hydrogen 2.929 N/A VAL 115.A N LYS 108.A O no hydrogen 2.870 N/A ASN 116.A N LEU 13.A O no hydrogen 2.895 N/A ASN 116.A ND2 THR 61.A O no hydrogen 3.363 N/A ASN 116.A ND2 LEU 62.A O no hydrogen 2.959 N/A ARG 117.A N.A GLU 106.A O no hydrogen 3.006 N/A ARG 117.A N.B GLU 106.A O no hydrogen 3.010 N/A ARG 117.A NE.B GLU 15.A OE2 no hydrogen 2.913 N/A ARG 117.A NH1.A GLU 110.A OE2 no hydrogen 2.980 N/A ARG 117.A NH1.B GLU 15.A OE2 no hydrogen 2.912 N/A ARG 117.A NH2.A GLU 110.A OE1 no hydrogen 3.024 N/A ARG 117.A NH2.A GLU 110.A OE2 no hydrogen 3.318 N/A ARG 117.A NH2.B GLU 110.A OE1 no hydrogen 3.023 N/A ILE 118.A N GLU 15.A O no hydrogen 2.882 N/A GLU 119.A N ARG 104.A O no hydrogen 2.925 N/A LEU 120.A N ASP 17.A O.A no hydrogen 2.921 N/A LEU 120.A N ASP 17.A O.B no hydrogen 2.938 N/A LYS 121.A N LYS 102.A O no hydrogen 2.934 N/A GLY 122.A N ASP 19.A O no hydrogen 2.770 N/A ILE 123.A N ASN 100.A O no hydrogen 3.038 N/A PHE 125.A N ASN 21.A OD1 no hydrogen 3.080 N/A LYS 126.A N ASP 98.A OD1 no hydrogen 2.876 N/A LYS 126.A NZ ASP 97.A O no hydrogen 2.863 N/A GLY 129.A N LYS 126.A O no hydrogen 3.089 N/A GLY 133.A N GLY 129.A O no hydrogen 2.847 N/A HIS 134.A N ILE 131.A O no hydrogen 3.043 N/A LYS 135.A N ASN 130.A O no hydrogen 2.956 N/A LYS 135.A NZ ASP 128.A O no hydrogen 2.859 N/A GLU 137.A N ASN 165.A O no hydrogen 2.927 N/A TYR 138.A OH SER 202.A O.A no hydrogen 2.723 N/A TYR 138.A OH SER 202.A O.B no hydrogen 2.628 N/A ASN 139.A N GLU 137.A O no hydrogen 3.045 N/A ASN 139.A ND2 GLU 137.A OE1 no hydrogen 2.822 N/A ASN 141.A ND2 ARG 163.A O no hydrogen 2.982 N/A ASN 141.A ND2 ASN 165.A OD1 no hydrogen 3.271 N/A SER 142.A OG.A THR 197.A O.B no hydrogen 3.110 N/A HIS 143.A N THR 197.A O.A no hydrogen 3.005 N/A HIS 143.A N THR 197.A O.B no hydrogen 3.043 N/A HIS 143.A N THR 197.A OG1.B no hydrogen 3.196 N/A VAL 145.A N LEU 195.A O no hydrogen 2.896 N/A TYR 146.A N ASN 159.A O.A no hydrogen 3.101 N/A TYR 146.A N ASN 159.A O.B no hydrogen 3.040 N/A ILE 147.A N HIS 193.A O no hydrogen 2.920 N/A MET 148.A N.A LYS 157.A O no hydrogen 2.895 N/A MET 148.A N.B LYS 157.A O no hydrogen 2.991 N/A ASP 150.A N GLY 155.A O no hydrogen 2.889 N/A GLN 152.A N ASP 150.A OD1 no hydrogen 2.862 N/A LYS 153.A NZ ASP 150.A OD2 no hydrogen 2.697 N/A LYS 153.A NZ GLN 179.A OE1 no hydrogen 2.914 N/A ASN 154.A ND2 VAL 187.A O.A no hydrogen 2.968 N/A ASN 154.A ND2 VAL 187.A O.B no hydrogen 2.842 N/A ILE 156.A N ASN 180.A O no hydrogen 2.965 N/A LYS 157.A N MET 148.A O.A no hydrogen 2.911 N/A LYS 157.A N MET 148.A O.B no hydrogen 2.866 N/A LYS 157.A NZ GLN 179.A OE1 no hydrogen 2.855 N/A VAL 158.A N GLN 178.A O no hydrogen 2.895 N/A ASN 159.A N.A TYR 146.A O no hydrogen 2.997 N/A ASN 159.A N.B TYR 146.A O no hydrogen 3.024 N/A PHE 160.A N HIS 176.A O no hydrogen 3.330 N/A LYS 161.A NZ.A ASP 175.A OD1.A no hydrogen 2.972 N/A LYS 161.A NZ.B ASP 175.A OD1.A no hydrogen 2.586 N/A ILE 162.A N ALA 174.A O no hydrogen 2.941 N/A ARG 163.A N HIS 143.A NE2 no hydrogen 2.997 N/A ARG 163.A NH1 SER 142.A O.C no hydrogen 3.431 N/A ARG 163.A NH2 SER 142.A O.A no hydrogen 2.748 N/A ARG 163.A NH2 SER 142.A O.B no hydrogen 2.767 N/A ARG 163.A NH2 SER 142.A O.C no hydrogen 2.734 N/A HIS 164.A N GLN 172.A O no hydrogen 2.889 N/A ILE 166.A N.A SER 170.A O no hydrogen 2.883 N/A ILE 166.A N.B SER 170.A O no hydrogen 2.952 N/A GLU 167.A N.A LYS 135.A O no hydrogen 2.948 N/A GLU 167.A N.B LYS 135.A O no hydrogen 2.880 N/A GLY 169.A N.A ILE 166.A O.A no hydrogen 2.893 N/A GLY 169.A N.A ILE 166.A O.B no hydrogen 3.039 N/A SER 170.A N ASP 168.A O.B no hydrogen 2.404 N/A SER 170.A N ASP 168.A OD1.A no hydrogen 3.008 N/A SER 170.A OG ASP 168.A O.B no hydrogen 3.279 N/A SER 170.A OG ASP 168.A OD1.A no hydrogen 2.567 N/A GLN 172.A N HIS 164.A O no hydrogen 2.785 N/A ALA 174.A N ILE 162.A O no hydrogen 2.909 N/A ASP 175.A N.A PHE 94.A O no hydrogen 2.942 N/A ASP 175.A N.B PHE 94.A O no hydrogen 2.783 N/A HIS 176.A N PHE 160.A O no hydrogen 2.857 N/A HIS 176.A ND1 ALA 174.A O no hydrogen 2.956 N/A HIS 176.A NE2 THR 60.A OG1 no hydrogen 2.725 N/A TYR 177.A N THR 92.A O.A no hydrogen 2.934 N/A TYR 177.A N THR 92.A O.B no hydrogen 2.996 N/A TYR 177.A OH ASP 175.A OD2.B no hydrogen 2.782 N/A GLN 178.A N VAL 158.A O no hydrogen 2.931 N/A GLN 178.A NE2 GLN 64.A OE1 no hydrogen 2.959 N/A GLN 178.A NE2 ASN 180.A OD1 no hydrogen 2.852 N/A GLN 179.A N GLU 90.A O no hydrogen 2.927 N/A GLN 179.A NE2 GLU 90.A OE2 no hydrogen 2.822 N/A ASN 180.A N ILE 156.A O no hydrogen 3.040 N/A ASN 180.A ND2 GLN 89.A OE1 no hydrogen 2.841 N/A THR 181.A N VAL 88.A O no hydrogen 3.042 N/A ILE 183.A N GLY 86.A O no hydrogen 2.863 N/A VAL 187.A N.A ASN 154.A OD1 no hydrogen 3.027 N/A VAL 187.A N.B ASN 154.A OD1 no hydrogen 2.890 N/A ASP 191.A N HIS 76.A ND1.A no hydrogen 3.002 N/A HIS 193.A N ILE 147.A O no hydrogen 3.132 N/A HIS 193.A ND1 ASP 191.A O no hydrogen 2.881 N/A HIS 193.A NE2 TYR 69.A OH no hydrogen 2.695 N/A TYR 194.A N ALA 221.A O no hydrogen 3.008 N/A LEU 195.A N VAL 145.A O no hydrogen 2.827 N/A SER 196.A N THR 219.A O no hydrogen 2.863 N/A THR 197.A N.A HIS 143.A O no hydrogen 2.897 N/A THR 197.A N.B HIS 143.A O no hydrogen 2.878 N/A THR 197.A OG1.A LEU 195.A O no hydrogen 3.489 N/A THR 197.A OG1.B HIS 143.A O no hydrogen 2.681 N/A GLN 198.A N PHE 217.A O.A no hydrogen 2.822 N/A GLN 198.A N PHE 217.A O.B no hydrogen 3.053 N/A SER 199.A OG GLU 216.A OE2.A no hydrogen 2.632 N/A ALA 200.A N LEU 215.A O.A no hydrogen 2.859 N/A ALA 200.A N LEU 215.A O.B no hydrogen 2.831 N/A SER 202.A N.A VAL 213.A O no hydrogen 2.826 N/A SER 202.A N.B VAL 213.A O no hydrogen 2.828 N/A SER 202.A OG.B LYS 203.A O no hydrogen 3.465 N/A LYS 203.A N SER 202.A OG.B no hydrogen 2.736 N/A LYS 203.A NZ HIS 211.A O no hydrogen 2.798 N/A ASP 204.A N HIS 211.A NE2 no hydrogen 2.839 N/A ASN 206.A N ASP 204.A OD1 no hydrogen 2.956 N/A GLU 207.A N ASP 204.A O no hydrogen 2.978 N/A ARG 209.A N GLU 207.A OE2 no hydrogen 2.974 N/A ARG 209.A NE GLU 207.A OE2 no hydrogen 2.841 N/A ARG 209.A NH2 GLU 207.A OE1 no hydrogen 3.001 N/A HIS 211.A ND1 ARG 209.A O no hydrogen 2.869 N/A MET 212.A N PHE 44.A O no hydrogen 2.918 N/A VAL 213.A N SER 202.A O.A no hydrogen 2.951 N/A VAL 213.A N SER 202.A O.B no hydrogen 3.062 N/A LEU 214.A N.A LEU 42.A O no hydrogen 2.891 N/A LEU 214.A N.B LEU 42.A O no hydrogen 2.853 N/A LEU 215.A N.A ALA 200.A O no hydrogen 3.052 N/A LEU 215.A N.B ALA 200.A O no hydrogen 2.947 N/A GLU 216.A N.A LEU 40.A O.A no hydrogen 3.089 N/A GLU 216.A N.A LEU 40.A O.B no hydrogen 2.871 N/A GLU 216.A N.B LEU 40.A O.A no hydrogen 3.186 N/A GLU 216.A N.B LEU 40.A O.B no hydrogen 2.916 N/A PHE 217.A N.A GLN 198.A O no hydrogen 2.879 N/A PHE 217.A N.B GLN 198.A O no hydrogen 3.015 N/A VAL 218.A N GLY 38.A O no hydrogen 2.854 N/A THR 219.A N SER 196.A O no hydrogen 3.153 N/A ALA 220.A N ARG 68.A O.A no hydrogen 2.861 N/A ALA 220.A N ARG 68.A O.B no hydrogen 2.864 N/A ALA 221.A N TYR 194.A O no hydrogen 2.888 N/A