Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1kug_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NH2 ASP 183.A OD1 no hydrogen 2.882 N/A GLN 5.A NE2 ARG 6.A O no hydrogen 2.960 N/A ARG 6.A N ASN 48.A O no hydrogen 3.001 N/A ARG 6.A NH1 ASN 193.A OD1 no hydrogen 2.850 N/A ARG 6.A NH2 GLN 5.A O no hydrogen 3.010 N/A TYR 7.A N ILE 197.A O no hydrogen 2.811 N/A ILE 8.A N ALA 50.A O no hydrogen 2.940 N/A GLU 9.A N ASP 93.A OD1 no hydrogen 2.819 N/A LEU 10.A N THR 52.A O no hydrogen 2.753 N/A ALA 11.A N HIS 94.A O no hydrogen 2.913 N/A ILE 12.A N LEU 55.A O no hydrogen 2.930 N/A VAL 13.A N GLN 96.A O no hydrogen 2.905 N/A VAL 14.A N ASP 57.A O no hydrogen 2.844 N/A ASP 15.A N LEU 98.A O no hydrogen 3.095 N/A HIS 16.A N ASP 63.A OD2 no hydrogen 2.830 N/A HIS 16.A ND1 TRP 59.A O no hydrogen 2.883 N/A MET 18.A N ASP 15.A OD2 no hydrogen 2.905 N/A TYR 19.A N ASP 15.A O no hydrogen 3.007 N/A THR 20.A N HIS 16.A O no hydrogen 2.997 N/A THR 20.A OG1 HIS 16.A O no hydrogen 3.061 N/A LYS 21.A N GLY 17.A O no hydrogen 2.926 N/A LYS 21.A NZ ASP 100.A OD2 no hydrogen 2.989 N/A LYS 21.A NZ ASP 128.A OD1 no hydrogen 2.791 N/A TYR 22.A N MET 18.A O no hydrogen 3.070 N/A TYR 22.A OH ASP 128.A OD1 no hydrogen 2.582 N/A SER 23.A N THR 20.A O no hydrogen 3.143 N/A SER 24.A N TYR 19.A O no hydrogen 2.852 N/A ASN 25.A N TYR 22.A O no hydrogen 3.119 N/A ILE 29.A N ASN 25.A O no hydrogen 3.061 N/A ARG 30.A N PHE 26.A O no hydrogen 2.779 N/A LYS 31.A N LYS 27.A O no hydrogen 3.002 N/A ARG 32.A N LYS 28.A O no hydrogen 3.089 N/A ARG 32.A NE ASP 128.A OD2 no hydrogen 3.123 N/A ARG 32.A NH1 SER 131.A O no hydrogen 3.474 N/A ARG 32.A NH2 ASP 128.A OD2 no hydrogen 2.860 N/A ARG 32.A NH2 SER 130.A O no hydrogen 2.904 N/A VAL 33.A N ILE 29.A O no hydrogen 2.930 N/A HIS 34.A N ARG 30.A O no hydrogen 2.843 N/A GLN 35.A N LYS 31.A O no hydrogen 2.991 N/A MET 36.A N ARG 32.A O no hydrogen 3.000 N/A VAL 37.A N VAL 33.A O no hydrogen 2.944 N/A SER 38.A N HIS 34.A O no hydrogen 2.898 N/A SER 38.A OG HIS 34.A O no hydrogen 3.111 N/A ASN 39.A N GLN 35.A O no hydrogen 3.137 N/A ASN 39.A ND2 GLN 35.A O no hydrogen 2.938 N/A ILE 40.A N MET 36.A O no hydrogen 2.910 N/A ASN 41.A N VAL 37.A O no hydrogen 2.835 N/A GLU 42.A N SER 38.A O no hydrogen 3.069 N/A MET 43.A N ASN 39.A O no hydrogen 2.919 N/A CYS 44.A N ILE 40.A O no hydrogen 2.956 N/A CYS 44.A N ASN 41.A O no hydrogen 3.168 N/A CYS 44.A SG ILE 40.A O no hydrogen 3.500 N/A ARG 45.A N GLU 42.A O no hydrogen 3.173 N/A LEU 47.A N CYS 44.A O no hydrogen 2.955 N/A ASN 48.A N ARG 45.A O no hydrogen 2.921 N/A ASN 48.A ND2 PHE 3.A O no hydrogen 2.898 N/A ILE 49.A N CYS 44.A O no hydrogen 3.447 N/A ALA 50.A N ARG 6.A O no hydrogen 2.932 N/A ILE 51.A N ASN 41.A OD1 no hydrogen 3.143 N/A THR 52.A N ILE 8.A O no hydrogen 3.099 N/A ALA 54.A N LEU 10.A O no hydrogen 2.740 N/A LEU 55.A N LEU 10.A O no hydrogen 3.274 N/A ASP 57.A N ILE 12.A O no hydrogen 2.962 N/A TRP 59.A N VAL 14.A O no hydrogen 2.846 N/A TRP 59.A NE1 ASP 57.A OD2 no hydrogen 3.018 N/A SER 60.A N VAL 58.A O no hydrogen 2.956 N/A GLN 68.A N THR 74.A OG1 no hydrogen 3.057 N/A GLN 68.A NE2 THR 66.A O no hydrogen 3.185 N/A THR 73.A N ASP 70.A OD2 no hydrogen 3.018 N/A THR 73.A OG1 ASP 70.A OD2 no hydrogen 2.619 N/A THR 74.A N ASP 70.A O no hydrogen 2.982 N/A THR 74.A OG1 GLN 68.A O no hydrogen 2.995 N/A THR 74.A OG1 ASP 70.A O no hydrogen 3.175 N/A ALA 75.A N ALA 71.A O no hydrogen 2.819 N/A GLY 76.A N PRO 72.A O no hydrogen 3.011 N/A LEU 77.A N THR 73.A O no hydrogen 3.071 N/A PHE 78.A N THR 74.A O no hydrogen 2.851 N/A GLY 79.A N ALA 75.A O no hydrogen 2.786 N/A ASP 80.A N GLY 76.A O no hydrogen 3.029 N/A TRP 81.A N LEU 77.A O no hydrogen 2.995 N/A ARG 82.A N PHE 78.A O no hydrogen 2.733 N/A ARG 82.A NE HIS 92.A NE2 no hydrogen 2.933 N/A ARG 82.A NH1 ASP 118.A O no hydrogen 2.965 N/A ARG 82.A NH1 GLU 119.A O no hydrogen 2.896 N/A GLU 83.A N GLY 79.A O no hydrogen 3.005 N/A ARG 84.A N ASP 80.A O no hydrogen 2.954 N/A VAL 85.A N TRP 81.A O no hydrogen 2.744 N/A LEU 86.A N TRP 81.A O no hydrogen 3.256 N/A LEU 87.A N ARG 82.A O no hydrogen 2.852 N/A LYS 88.A N VAL 85.A O no hydrogen 3.021 N/A LYS 88.A NZ GLU 83.A O no hydrogen 3.160 N/A LYS 89.A N LEU 86.A O no hydrogen 3.011 N/A LYS 90.A N LEU 86.A O no hydrogen 3.366 N/A LYS 90.A NZ ALA 54.A O no hydrogen 2.739 N/A HIS 92.A ND1 LYS 90.A O no hydrogen 2.845 N/A ASP 93.A N GLU 9.A O no hydrogen 2.792 N/A ALA 95.A N SER 122.A O no hydrogen 2.984 N/A GLN 96.A N ALA 11.A O no hydrogen 2.925 N/A GLN 96.A NE2 MET 140.A O no hydrogen 3.158 N/A LEU 97.A N ALA 124.A O no hydrogen 2.950 N/A LEU 98.A N VAL 13.A O no hydrogen 2.807 N/A THR 99.A N VAL 126.A O no hydrogen 3.017 N/A THR 99.A OG1 ASP 15.A OD1 no hydrogen 2.509 N/A THR 99.A OG1 THR 101.A OG1 no hydrogen 2.747 N/A THR 101.A N THR 99.A OG1 no hydrogen 3.119 N/A THR 101.A OG1 THR 99.A OG1 no hydrogen 2.747 N/A PHE 103.A N THR 101.A O no hydrogen 2.960 N/A ALA 104.A N ALA 69.A O no hydrogen 2.743 N/A THR 107.A N ALA 104.A O no hydrogen 3.267 N/A THR 107.A OG1 ALA 104.A O no hydrogen 2.771 N/A THR 107.A OG1 ARG 105.A O no hydrogen 3.502 N/A TRP 110.A N VAL 125.A O no hydrogen 2.976 N/A GLY 114.A N HIS 146.A O no hydrogen 2.870 N/A MET 116.A N ASN 147.A O no hydrogen 3.053 N/A CYS 117.A N SER 122.A OG no hydrogen 3.044 N/A ASP 118.A N ARG 115.A O no hydrogen 2.971 N/A LYS 120.A N ASP 118.A OD1 no hydrogen 2.954 N/A LYS 120.A NZ ASP 80.A OD2 no hydrogen 2.721 N/A TYR 121.A N ASP 118.A OD1 no hydrogen 2.916 N/A SER 122.A N ASP 118.A O no hydrogen 3.010 N/A SER 122.A OG ASP 93.A O no hydrogen 2.691 N/A SER 122.A OG ASN 147.A OD1 no hydrogen 3.152 N/A ALA 124.A N ALA 95.A O no hydrogen 3.091 N/A VAL 125.A N TRP 110.A O no hydrogen 2.946 N/A VAL 126.A N LEU 97.A O no hydrogen 2.827 N/A LYS 127.A N ILE 108.A O no hydrogen 2.885 N/A ASP 128.A N THR 99.A O no hydrogen 2.773 N/A HIS 129.A NE2 THR 139.A OG1 no hydrogen 2.875 N/A LYS 132.A N SER 130.A OG no hydrogen 2.956 N/A VAL 136.A N LYS 132.A O no hydrogen 3.435 N/A ALA 137.A N VAL 133.A O no hydrogen 2.809 N/A VAL 138.A N PHE 134.A O no hydrogen 2.778 N/A THR 139.A OG1 HIS 129.A NE2 no hydrogen 2.875 N/A THR 139.A OG1 MET 135.A O no hydrogen 2.853 N/A MET 140.A N VAL 136.A O no hydrogen 2.914 N/A THR 141.A N ALA 137.A O no hydrogen 2.920 N/A THR 141.A OG1 ALA 137.A O no hydrogen 2.881 N/A HIS 142.A N VAL 138.A O no hydrogen 2.818 N/A HIS 142.A ND1 ILE 164.A O no hydrogen 2.830 N/A GLU 143.A N THR 139.A O no hydrogen 3.008 N/A LEU 144.A N MET 140.A O no hydrogen 2.905 N/A GLY 145.A N THR 141.A O no hydrogen 2.782 N/A HIS 146.A N HIS 142.A O no hydrogen 2.960 N/A HIS 146.A ND1 MET 150.A O no hydrogen 2.830 N/A ASN 147.A N GLU 143.A O no hydrogen 2.989 N/A ASN 147.A ND2 TYR 112.A O no hydrogen 2.880 N/A ASN 147.A ND2 TYR 121.A O no hydrogen 3.060 N/A LEU 148.A N LEU 144.A O no hydrogen 2.921 N/A LEU 148.A N GLY 145.A O no hydrogen 3.000 N/A GLY 149.A N HIS 146.A O no hydrogen 2.912 N/A MET 150.A N GLY 145.A O no hydrogen 3.018 N/A ASP 153.A N MET 165.A O no hydrogen 2.834 N/A LYS 155.A NZ LYS 155.A O no hydrogen 3.043 N/A ASP 156.A N ASP 154.A OD1 no hydrogen 2.880 N/A LYS 157.A N ASP 154.A O no hydrogen 2.915 N/A CYS 158.A N ASP 154.A O no hydrogen 2.976 N/A CYS 158.A SG ASP 154.A O no hydrogen 3.987 N/A CYS 158.A SG SER 178.A OG no hydrogen 3.625 N/A LYS 159.A NZ LYS 155.A O no hydrogen 2.724 N/A ILE 164.A N LEU 176.A O no hydrogen 2.844 N/A SER 166.A N CYS 163.A O no hydrogen 2.938 N/A SER 166.A OG CYS 163.A O no hydrogen 3.239 N/A SER 166.A OG VAL 168.A O no hydrogen 2.843 N/A SER 170.A N GLN 173.A OE1 no hydrogen 2.980 N/A LYS 172.A N SER 170.A OG no hydrogen 3.105 N/A GLN 173.A N SER 170.A O no hydrogen 3.051 N/A GLN 173.A NE2 SER 166.A OG no hydrogen 2.965 N/A SER 174.A N THR 162.A O no hydrogen 2.790 N/A SER 174.A OG THR 162.A O no hydrogen 3.143 N/A LYS 175.A NZ GLU 42.A OE2 no hydrogen 2.824 N/A LEU 176.A N SER 174.A OG no hydrogen 3.133 N/A SER 178.A OG ASP 153.A OD1 no hydrogen 2.600 N/A SER 178.A OG SER 181.A OG no hydrogen 3.303 N/A CYS 180.A SG ASP 154.A O no hydrogen 3.597 N/A SER 181.A N SER 178.A OG no hydrogen 2.981 N/A SER 181.A OG ASP 153.A OD1 no hydrogen 3.329 N/A SER 181.A OG SER 178.A OG no hydrogen 3.303 N/A LYS 182.A N SER 178.A O no hydrogen 3.015 N/A ASP 183.A N ASP 179.A O no hydrogen 2.959 N/A TYR 184.A N CYS 180.A O no hydrogen 2.945 N/A TYR 185.A N SER 181.A O no hydrogen 2.934 N/A GLN 186.A N LYS 182.A O no hydrogen 2.979 N/A THR 187.A N ASP 183.A O no hydrogen 3.032 N/A THR 187.A OG1 ASP 183.A O no hydrogen 3.202 N/A PHE 188.A N TYR 184.A O no hydrogen 2.974 N/A LEU 189.A N TYR 185.A O no hydrogen 2.922 N/A THR 190.A N GLN 186.A O no hydrogen 2.973 N/A THR 190.A OG1 GLN 186.A O no hydrogen 3.044 N/A THR 190.A OG1 GLN 186.A OE1 no hydrogen 3.259 N/A ASN 191.A N THR 187.A O no hydrogen 2.753 N/A ASP 192.A N PHE 188.A O no hydrogen 2.853 N/A ASN 193.A N PHE 188.A O no hydrogen 2.927 N/A GLN 195.A NE2 ASN 199.A OD1 no hydrogen 3.079 N/A CYS 196.A SG ASP 93.A OD2 no hydrogen 3.017 N/A LEU 198.A N GLN 195.A O no hydrogen 2.981 N/A ASN 199.A N CYS 196.A O no hydrogen 3.332 N/A