Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1lkb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 1.A N GLY 133.A O no hydrogen 3.175 N/A VAL 1.A N LEU 134.A O no hydrogen 2.940 N/A VAL 1.A N ASP 187.A OD1 no hydrogen 3.467 N/A VAL 1.A N ASP 187.A OD2 no hydrogen 2.706 N/A VAL 2.A N SER 182.A O no hydrogen 2.875 N/A THR 5.A N GLN 147.A O no hydrogen 2.831 N/A ALA 7.A N LEU 145.A O no hydrogen 2.961 N/A ARG 9.A NH1 ASP 66.A OD1 no hydrogen 2.787 N/A SER 11.A N GLN 8.A O no hydrogen 3.106 N/A TRP 12.A NE1 GLN 147.A OE1 no hydrogen 2.832 N/A GLN 15.A N TRP 12.A O no hydrogen 3.111 N/A GLN 15.A NE2 ILE 16.A O no hydrogen 2.940 N/A ILE 16.A N GLY 32.A O no hydrogen 3.012 N/A SER 17.A N VAL 56.A O no hydrogen 3.081 N/A SER 17.A OG HIS 28.A ND1 no hydrogen 2.785 N/A LEU 18.A N CYS 30.A O no hydrogen 2.801 N/A GLN 19.A N ARG 54.A O no hydrogen 2.898 N/A GLN 19.A NE2 SER 17.A OG no hydrogen 2.973 N/A TYR 20.A N ALA 27.A O no hydrogen 2.888 N/A ARG 21.A N THR 52.A O no hydrogen 2.987 N/A ARG 21.A NH1 GLY 23.A O no hydrogen 3.147 N/A SER 22.A N SER 25.A O no hydrogen 2.750 N/A SER 25.A N SER 22.A O no hydrogen 2.968 N/A SER 25.A OG SER 22.A O no hydrogen 3.139 N/A ALA 27.A N TYR 20.A O no hydrogen 2.926 N/A HIS 28.A ND1 SER 17.A OG no hydrogen 2.785 N/A HIS 28.A NE2 GLY 186.A O no hydrogen 2.915 N/A THR 29.A N LEU 18.A O no hydrogen 2.853 N/A CYS 30.A N LEU 18.A O no hydrogen 3.216 N/A CYS 30.A SG THR 29.A O no hydrogen 3.125 N/A GLY 31.A N SER 188.A O no hydrogen 2.775 N/A THR 33.A N MET 41.A O no hydrogen 2.822 N/A LEU 34.A N SER 14.A O no hydrogen 2.847 N/A ILE 35.A N TRP 39.A O no hydrogen 2.922 N/A ARG 36.A N TRP 39.A O no hydrogen 3.241 N/A ARG 36.A NH1 ILE 35.A O no hydrogen 3.037 N/A TRP 39.A N ARG 36.A O no hydrogen 3.200 N/A VAL 40.A N LEU 97.A O no hydrogen 2.863 N/A MET 41.A N THR 33.A O no hydrogen 2.821 N/A THR 42.A N ALA 95.A O no hydrogen 2.916 N/A THR 42.A OG1 GLY 31.A O no hydrogen 2.860 N/A ALA 43.A N THR 42.A OG1 no hydrogen 2.749 N/A HIS 45.A N ASP 93.A OD1 no hydrogen 2.844 N/A HIS 45.A ND1 ASP 93.A OD2 no hydrogen 2.700 N/A CYS 46.A N ALA 43.A O no hydrogen 3.079 N/A VAL 47.A N ALA 44.A O no hydrogen 2.969 N/A ASP 48.A N HIS 45.A O no hydrogen 3.368 N/A LEU 51.A N ARG 49.A O no hydrogen 2.881 N/A ARG 54.A N GLN 19.A O no hydrogen 2.899 N/A ARG 54.A NE GLN 19.A OE1 no hydrogen 2.919 N/A ARG 54.A NH2 GLN 19.A OE1 no hydrogen 2.804 N/A VAL 55.A N VAL 72.A O no hydrogen 2.798 N/A VAL 56.A N SER 17.A O no hydrogen 2.849 N/A VAL 57.A N GLN 70.A O no hydrogen 3.011 N/A HIS 60.A N ASP 66.A OD2 no hydrogen 3.007 N/A HIS 60.A NE2 GLU 6.A OE2 no hydrogen 3.018 N/A ASN 61.A N ASP 66.A OD2 no hydrogen 2.796 N/A LEU 62.A N GLN 143.A O no hydrogen 2.875 N/A ASN 63.A N ASN 61.A OD1 no hydrogen 2.905 N/A ASP 66.A N GLU 69.A OE2 no hydrogen 2.797 N/A GLY 67.A N ASN 65.A OD1 no hydrogen 2.983 N/A THR 68.A N GLU 69.A OE1 no hydrogen 3.194 N/A THR 68.A OG1 GLY 58.A O no hydrogen 2.700 N/A GLU 69.A N GLU 69.A OE1 no hydrogen 2.692 N/A GLN 70.A N VAL 57.A O no hydrogen 2.984 N/A GLN 70.A NE2 THR 104.A O no hydrogen 2.858 N/A VAL 72.A N VAL 55.A O no hydrogen 2.952 N/A VAL 74.A N PHE 53.A O no hydrogen 3.069 N/A GLN 75.A N ARG 98.A O no hydrogen 2.820 N/A LYS 76.A N ARG 98.A O no hydrogen 3.248 N/A VAL 78.A N LEU 96.A O no hydrogen 2.835 N/A HIS 80.A N ILE 94.A O no hydrogen 3.135 N/A TYR 82.A N HIS 80.A ND1 no hydrogen 2.946 N/A TRP 83.A N HIS 80.A O no hydrogen 3.163 N/A TRP 83.A NE1 ASP 48.A OD1 no hydrogen 2.947 N/A THR 85.A OG1 ASP 48.A OD2 no hydrogen 2.606 N/A ASP 86.A N ASN 84.A OD1 no hydrogen 3.154 N/A ASP 87.A N ASN 84.A O no hydrogen 2.902 N/A ALA 90.A N ASP 87.A O no hydrogen 3.017 N/A GLY 91.A N VAL 88.A O no hydrogen 2.958 N/A ILE 94.A N TYR 92.A O no hydrogen 2.861 N/A ALA 95.A N THR 42.A O no hydrogen 2.944 N/A LEU 96.A N VAL 78.A O no hydrogen 2.795 N/A LEU 97.A N VAL 40.A O no hydrogen 2.764 N/A ARG 98.A N LYS 76.A O no hydrogen 2.782 N/A ARG 98.A NE GLN 75.A OE1 no hydrogen 2.809 N/A ARG 98.A NH1 ASN 240.A O no hydrogen 2.899 N/A ARG 98.A NH2 GLN 75.A OE1 no hydrogen 3.010 N/A LEU 99.A N ASN 38.A O no hydrogen 2.852 N/A ALA 100.A N GLY 73.A O no hydrogen 2.933 N/A VAL 103.A N GLN 37.A O no hydrogen 3.041 N/A THR 104.A N GLN 70.A OE1 no hydrogen 2.903 N/A ASN 106.A N VAL 109.A O no hydrogen 2.888 N/A TYR 108.A N ASN 106.A OD1 no hydrogen 2.852 N/A VAL 109.A N ASN 106.A O no hydrogen 3.152 N/A GLN 110.A N PRO 13.A O no hydrogen 3.099 N/A GLN 110.A NE2 ASN 106.A O no hydrogen 2.846 N/A GLN 110.A NE2 VAL 109.A O no hydrogen 3.231 N/A GLY 112.A N LEU 34.A O no hydrogen 2.735 N/A GLY 118.A N SER 227.A O no hydrogen 2.878 N/A THR 119.A N ARG 116.A O no hydrogen 3.159 N/A THR 119.A OG1 ARG 116.A O no hydrogen 2.782 N/A ASN 124.A N THR 152.A O no hydrogen 2.821 N/A SER 125.A N ALA 122.A O no hydrogen 3.264 N/A SER 125.A N THR 152.A OG1 no hydrogen 3.050 N/A SER 125.A OG ALA 122.A O no hydrogen 2.695 N/A CYS 127.A SG SER 125.A O no hydrogen 3.701 N/A TYR 128.A N HIS 193.A O no hydrogen 2.795 N/A ILE 129.A N ALA 148.A O no hydrogen 2.873 N/A THR 130.A OG1 GLN 15.A OE1 no hydrogen 2.679 N/A THR 130.A OG1 HIS 193.A NE2 no hydrogen 2.832 N/A GLY 131.A N GLN 146.A O no hydrogen 2.918 N/A TRP 132.A NE1 HIS 60.A O no hydrogen 2.972 N/A GLY 133.A N ASP 187.A OD1 no hydrogen 2.745 N/A LEU 134.A N GLN 185.A O no hydrogen 2.856 N/A THR 135.A N GLN 140.A O no hydrogen 3.105 N/A THR 137.A OG1 ASN 215.A OD1 no hydrogen 3.371 N/A GLY 139.A N ARG 136.A O no hydrogen 2.826 N/A ALA 142.A N TRP 132.A O no hydrogen 2.996 N/A GLN 143.A NE2 ASN 63.A OD1 no hydrogen 3.003 N/A LEU 145.A N HIS 60.A O no hydrogen 3.030 N/A GLN 146.A N GLY 131.A O no hydrogen 3.008 N/A GLN 146.A NE2 THR 144.A O no hydrogen 3.125 N/A GLN 147.A N THR 5.A O no hydrogen 2.919 N/A ALA 148.A N ILE 129.A O no hydrogen 2.988 N/A LEU 150.A N CYS 127.A O no hydrogen 2.779 N/A THR 152.A N SER 125.A O no hydrogen 2.859 N/A THR 152.A OG1 ALA 122.A O no hydrogen 3.034 N/A VAL 153.A N CYS 174.A O no hydrogen 2.860 N/A ASP 154.A N ASN 123.A OD1 no hydrogen 2.880 N/A ILE 157.A N ASP 154.A OD1 no hydrogen 2.978 N/A CYS 158.A N ASP 154.A O no hydrogen 2.734 N/A SER 159.A N TYR 155.A O no hydrogen 2.796 N/A SER 159.A OG TYR 155.A O no hydrogen 2.660 N/A SER 160.A N ILE 157.A O no hydrogen 3.063 N/A SER 160.A OG ILE 157.A O no hydrogen 2.611 N/A TYR 163.A N SER 160.A O no hydrogen 3.050 N/A TRP 164.A N CYS 158.A O no hydrogen 2.836 N/A TRP 164.A NE1 PRO 220.A O no hydrogen 2.856 N/A GLY 165.A N SER 160.A O no hydrogen 3.000 N/A THR 167.A N TRP 164.A O no hydrogen 3.199 N/A LYS 169.A NZ ALA 89.A O no hydrogen 2.693 N/A LYS 169.A NZ SER 166.A O no hydrogen 2.918 N/A LYS 169.A NZ THR 167.A O no hydrogen 3.141 N/A MET 172.A N LYS 169.A O no hydrogen 3.061 N/A VAL 173.A N PHE 223.A O no hydrogen 2.774 N/A ALA 175.A N THR 221.A O no hydrogen 2.963 N/A GLY 176.A N PRO 151.A O no hydrogen 2.765 N/A VAL 180.A N ASP 178.A OD1 no hydrogen 2.788 N/A ARG 181.A N ASP 178.A OD1 no hydrogen 2.843 N/A ARG 181.A NE ASP 178.A OD2 no hydrogen 3.364 N/A SER 182.A N VAL 2.A O no hydrogen 3.049 N/A SER 182.A OG GLY 183.A O no hydrogen 2.787 N/A GLY 183.A N THR 221.A OG1 no hydrogen 2.954 N/A CYS 184.A N ASP 187.A OD2 no hydrogen 2.827 N/A CYS 184.A SG ARG 136.A O no hydrogen 3.892 N/A CYS 184.A SG GLN 185.A OE1 no hydrogen 3.454 N/A GLN 185.A N GLN 185.A OE1 no hydrogen 2.787 N/A ASP 187.A N CYS 184.A O no hydrogen 2.988 N/A SER 188.A OG HIS 45.A NE2 no hydrogen 3.010 N/A GLY 189.A N THR 206.A O no hydrogen 2.808 N/A GLY 190.A N ASP 187.A O no hydrogen 2.995 N/A LEU 192.A N GLY 204.A O no hydrogen 2.960 N/A HIS 193.A N TYR 128.A O no hydrogen 2.858 N/A HIS 193.A NE2 THR 130.A OG1 no hydrogen 2.832 N/A CYS 194.A N ALA 201.A O no hydrogen 2.869 N/A VAL 196.A N GLN 199.A O no hydrogen 2.919 N/A GLN 199.A N VAL 196.A O no hydrogen 3.100 N/A GLN 199.A NE2.B GLY 198.A O no hydrogen 2.747 N/A ALA 201.A N CYS 194.A O no hydrogen 3.044 N/A VAL 202.A N VAL 113.A O no hydrogen 2.786 N/A HIS 203.A N LEU 192.A O no hydrogen 2.906 N/A GLY 204.A N LEU 192.A O no hydrogen 3.383 N/A VAL 205.A N THR 224.A O no hydrogen 3.055 N/A THR 206.A N GLY 190.A O no hydrogen 2.818 N/A THR 206.A OG1 GLY 190.A O no hydrogen 3.337 N/A SER 207.A N VAL 222.A O no hydrogen 2.832 N/A SER 207.A OG ASP 93.A OD2 no hydrogen 2.644 N/A PHE 208.A N VAL 222.A O no hydrogen 3.063 N/A LEU 212.A N SER 210.A OG no hydrogen 2.927 N/A GLY 213.A N SER 210.A O no hydrogen 3.123 N/A CYS 214.A N THR 137.A OG1 no hydrogen 2.903 N/A CYS 214.A SG GLN 185.A OE1 no hydrogen 3.317 N/A ASN 215.A ND2 GLY 179.A O no hydrogen 3.030 N/A ARG 218.A N GLY 177.A O no hydrogen 2.980 N/A ARG 218.A NH1 SER 162.A OG no hydrogen 2.932 N/A LYS 219.A N VAL 216.A O no hydrogen 2.945 N/A LYS 219.A NZ TYR 163.A O no hydrogen 2.708 N/A THR 221.A N ALA 175.A O no hydrogen 2.886 N/A VAL 222.A N PHE 208.A O no hydrogen 2.987 N/A PHE 223.A N VAL 173.A O no hydrogen 2.795 N/A THR 224.A N VAL 205.A O no hydrogen 2.749 N/A THR 224.A OG1 ASP 93.A O no hydrogen 2.783 N/A ARG 225.A N SER 171.A O no hydrogen 2.821 N/A ARG 225.A NE ASN 170.A O no hydrogen 3.000 N/A ARG 225.A NH1 SER 227.A OG no hydrogen 2.887 N/A ARG 225.A NH2 ASN 170.A O no hydrogen 3.068 N/A VAL 226.A N HIS 203.A O no hydrogen 2.985 N/A SER 227.A OG THR 119.A O no hydrogen 2.682 N/A ALA 228.A N ARG 225.A O no hydrogen 2.959 N/A TYR 229.A N VAL 226.A O no hydrogen 2.905 N/A ILE 233.A N TYR 229.A O no hydrogen 2.848 N/A ASN 234.A N ILE 230.A O no hydrogen 2.956 N/A ASN 235.A N SER 231.A O no hydrogen 2.842 N/A VAL 236.A N TRP 232.A O no hydrogen 2.921 N/A ILE 237.A N ILE 233.A O no hydrogen 3.043 N/A ALA 238.A N ASN 234.A O no hydrogen 2.922 N/A SER 239.A N ASN 235.A O no hydrogen 3.122 N/A SER 239.A OG ASN 235.A O no hydrogen 3.066 N/A SER 239.A OG VAL 236.A O no hydrogen 3.356 N/A ASN 240.A N ILE 237.A O no hydrogen 3.263 N/A ASN 240.A ND2 VAL 236.A O no hydrogen 2.787 N/A