Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1kuk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NH1 ASP 179.A OD1 no hydrogen 3.441 N/A ARG 2.A NH2 ASP 183.A OD1 no hydrogen 2.825 N/A GLN 5.A NE2 ARG 6.A O no hydrogen 2.967 N/A ARG 6.A N ASN 48.A O no hydrogen 3.110 N/A ARG 6.A NH1 ASN 193.A OD1 no hydrogen 2.854 N/A ARG 6.A NH2 GLN 5.A O no hydrogen 2.987 N/A TYR 7.A N ILE 197.A O no hydrogen 2.868 N/A ILE 8.A N ALA 50.A O no hydrogen 2.950 N/A GLU 9.A N ASP 93.A OD1 no hydrogen 2.870 N/A LEU 10.A N THR 52.A O no hydrogen 2.739 N/A ALA 11.A N HIS 94.A O no hydrogen 2.871 N/A ILE 12.A N LEU 55.A O no hydrogen 2.938 N/A VAL 13.A N GLN 96.A O no hydrogen 2.855 N/A VAL 14.A N ASP 57.A O no hydrogen 2.831 N/A ASP 15.A N LEU 98.A O no hydrogen 3.070 N/A HIS 16.A N ASP 63.A OD2 no hydrogen 2.760 N/A HIS 16.A ND1 TRP 59.A O no hydrogen 2.886 N/A MET 18.A N ASP 15.A OD2 no hydrogen 2.888 N/A TYR 19.A N ASP 15.A O no hydrogen 2.955 N/A THR 20.A N HIS 16.A O no hydrogen 2.927 N/A THR 20.A OG1 HIS 16.A O no hydrogen 2.981 N/A LYS 21.A N GLY 17.A O no hydrogen 2.921 N/A LYS 21.A NZ ASP 128.A OD1 no hydrogen 2.849 N/A TYR 22.A N MET 18.A O no hydrogen 3.053 N/A TYR 22.A OH ASP 128.A OD1 no hydrogen 2.584 N/A SER 23.A N THR 20.A O no hydrogen 3.047 N/A SER 24.A N TYR 19.A O no hydrogen 2.841 N/A ASN 25.A N TYR 22.A O no hydrogen 3.178 N/A ILE 29.A N ASN 25.A O no hydrogen 3.019 N/A ARG 30.A N PHE 26.A O no hydrogen 2.824 N/A LYS 31.A N LYS 27.A O no hydrogen 2.934 N/A ARG 32.A N LYS 28.A O no hydrogen 3.038 N/A ARG 32.A NE ASP 128.A OD2 no hydrogen 3.114 N/A ARG 32.A NH1 SER 131.A O no hydrogen 3.385 N/A ARG 32.A NH2 ASP 128.A OD2 no hydrogen 2.875 N/A ARG 32.A NH2 SER 130.A O no hydrogen 2.864 N/A VAL 33.A N ILE 29.A O no hydrogen 2.874 N/A HIS 34.A N ARG 30.A O no hydrogen 2.902 N/A GLN 35.A N LYS 31.A O no hydrogen 2.967 N/A MET 36.A N ARG 32.A O no hydrogen 2.998 N/A VAL 37.A N VAL 33.A O no hydrogen 2.921 N/A SER 38.A N HIS 34.A O no hydrogen 2.859 N/A SER 38.A OG HIS 34.A O no hydrogen 3.144 N/A ASN 39.A N GLN 35.A O no hydrogen 3.153 N/A ASN 39.A ND2 GLN 35.A O no hydrogen 2.957 N/A ILE 40.A N MET 36.A O no hydrogen 2.892 N/A ASN 41.A N VAL 37.A O no hydrogen 2.775 N/A GLU 42.A N SER 38.A O no hydrogen 3.034 N/A MET 43.A N ASN 39.A O no hydrogen 2.934 N/A CYS 44.A N ILE 40.A O no hydrogen 2.990 N/A CYS 44.A N ASN 41.A O no hydrogen 3.209 N/A CYS 44.A SG ILE 40.A O no hydrogen 3.516 N/A ARG 45.A N GLU 42.A O no hydrogen 3.191 N/A ARG 45.A NE GLU 42.A OE1 no hydrogen 2.895 N/A ARG 45.A NH2 GLU 42.A OE1 no hydrogen 3.526 N/A ARG 45.A NH2 GLU 42.A OE2 no hydrogen 2.717 N/A LEU 47.A N CYS 44.A O no hydrogen 2.880 N/A ASN 48.A N ARG 45.A O no hydrogen 3.009 N/A ASN 48.A ND2 PHE 3.A O no hydrogen 2.874 N/A ILE 49.A N CYS 44.A O no hydrogen 3.409 N/A ALA 50.A N ARG 6.A O no hydrogen 2.931 N/A ILE 51.A N ASN 41.A OD1 no hydrogen 3.110 N/A THR 52.A N ILE 8.A O no hydrogen 3.067 N/A ALA 54.A N LEU 10.A O no hydrogen 2.775 N/A LEU 55.A N LEU 10.A O no hydrogen 3.277 N/A ASP 57.A N ILE 12.A O no hydrogen 2.952 N/A TRP 59.A N VAL 14.A O no hydrogen 2.843 N/A TRP 59.A NE1 ASP 57.A OD2 no hydrogen 2.953 N/A SER 60.A N VAL 58.A O no hydrogen 2.902 N/A GLN 68.A N THR 74.A OG1 no hydrogen 3.073 N/A GLN 68.A NE2 THR 66.A O no hydrogen 3.388 N/A THR 73.A N ASP 70.A OD2 no hydrogen 2.924 N/A THR 73.A OG1 ASP 70.A OD2 no hydrogen 2.628 N/A THR 74.A N ASP 70.A O no hydrogen 2.985 N/A THR 74.A OG1 GLN 68.A O no hydrogen 2.992 N/A THR 74.A OG1 ASP 70.A O no hydrogen 3.134 N/A ALA 75.A N ALA 71.A O no hydrogen 2.799 N/A GLY 76.A N PRO 72.A O no hydrogen 3.015 N/A LEU 77.A N THR 73.A O no hydrogen 3.102 N/A PHE 78.A N THR 74.A O no hydrogen 2.837 N/A GLY 79.A N ALA 75.A O no hydrogen 2.783 N/A ASP 80.A N GLY 76.A O no hydrogen 3.054 N/A TRP 81.A N LEU 77.A O no hydrogen 3.069 N/A ARG 82.A N PHE 78.A O no hydrogen 2.762 N/A ARG 82.A NE HIS 92.A NE2 no hydrogen 2.963 N/A ARG 82.A NH1 ASP 118.A O no hydrogen 2.898 N/A ARG 82.A NH1 GLU 119.A O no hydrogen 2.877 N/A GLU 83.A N GLY 79.A O no hydrogen 3.004 N/A ARG 84.A N ASP 80.A O no hydrogen 2.937 N/A VAL 85.A N TRP 81.A O no hydrogen 2.711 N/A LEU 86.A N TRP 81.A O no hydrogen 3.279 N/A LEU 87.A N ARG 82.A O no hydrogen 2.813 N/A LYS 88.A N VAL 85.A O no hydrogen 3.101 N/A LYS 88.A NZ GLU 83.A O no hydrogen 2.814 N/A LYS 89.A N LEU 86.A O no hydrogen 3.022 N/A LYS 90.A N LEU 86.A O no hydrogen 3.351 N/A LYS 90.A NZ ALA 54.A O no hydrogen 2.886 N/A HIS 92.A ND1 LYS 90.A O no hydrogen 2.929 N/A ASP 93.A N GLU 9.A O no hydrogen 2.826 N/A ALA 95.A N SER 122.A O no hydrogen 3.017 N/A GLN 96.A N ALA 11.A O no hydrogen 2.990 N/A GLN 96.A NE2 MET 140.A O no hydrogen 3.149 N/A LEU 97.A N ALA 124.A O no hydrogen 3.003 N/A LEU 98.A N VAL 13.A O no hydrogen 2.789 N/A THR 99.A N VAL 126.A O no hydrogen 3.034 N/A THR 99.A OG1 ASP 15.A OD1 no hydrogen 2.531 N/A THR 99.A OG1 THR 101.A OG1 no hydrogen 2.725 N/A THR 101.A N THR 99.A OG1 no hydrogen 3.032 N/A THR 101.A OG1 THR 99.A OG1 no hydrogen 2.725 N/A PHE 103.A N THR 101.A O no hydrogen 2.998 N/A ALA 104.A N ALA 69.A O no hydrogen 2.812 N/A THR 107.A N ALA 104.A O no hydrogen 3.166 N/A THR 107.A OG1 ALA 104.A O no hydrogen 2.799 N/A TRP 110.A N VAL 125.A O no hydrogen 2.942 N/A GLY 114.A N HIS 146.A O no hydrogen 2.819 N/A MET 116.A N ASN 147.A O no hydrogen 3.007 N/A CYS 117.A N SER 122.A OG no hydrogen 3.028 N/A ASP 118.A N ARG 115.A O no hydrogen 2.972 N/A LYS 120.A N ASP 118.A OD1 no hydrogen 2.877 N/A LYS 120.A NZ ASP 80.A OD2 no hydrogen 2.778 N/A TYR 121.A N ASP 118.A OD1 no hydrogen 2.900 N/A SER 122.A N ASP 118.A O no hydrogen 3.096 N/A SER 122.A OG ASP 93.A O no hydrogen 2.699 N/A SER 122.A OG ASN 147.A OD1 no hydrogen 3.183 N/A ALA 124.A N ALA 95.A O no hydrogen 3.116 N/A VAL 125.A N TRP 110.A O no hydrogen 2.904 N/A VAL 126.A N LEU 97.A O no hydrogen 2.843 N/A LYS 127.A N ILE 108.A O no hydrogen 2.877 N/A ASP 128.A N THR 99.A O no hydrogen 2.793 N/A HIS 129.A NE2 THR 139.A OG1 no hydrogen 2.882 N/A LYS 132.A N SER 130.A OG no hydrogen 2.977 N/A ALA 137.A N VAL 133.A O no hydrogen 2.878 N/A VAL 138.A N PHE 134.A O no hydrogen 2.765 N/A THR 139.A OG1 HIS 129.A NE2 no hydrogen 2.882 N/A THR 139.A OG1 MET 135.A O no hydrogen 2.804 N/A MET 140.A N VAL 136.A O no hydrogen 2.947 N/A THR 141.A N ALA 137.A O no hydrogen 2.915 N/A THR 141.A OG1 ALA 137.A O no hydrogen 2.904 N/A HIS 142.A N VAL 138.A O no hydrogen 2.859 N/A HIS 142.A ND1 ILE 164.A O no hydrogen 2.801 N/A GLU 143.A N THR 139.A O no hydrogen 2.970 N/A LEU 144.A N MET 140.A O no hydrogen 2.915 N/A GLY 145.A N THR 141.A O no hydrogen 2.800 N/A HIS 146.A N HIS 142.A O no hydrogen 3.013 N/A HIS 146.A ND1 MET 150.A O no hydrogen 2.837 N/A ASN 147.A N GLU 143.A O no hydrogen 2.966 N/A ASN 147.A ND2 TYR 112.A O no hydrogen 2.825 N/A ASN 147.A ND2 TYR 121.A O no hydrogen 3.118 N/A LEU 148.A N LEU 144.A O no hydrogen 2.952 N/A LEU 148.A N GLY 145.A O no hydrogen 3.005 N/A GLY 149.A N HIS 146.A O no hydrogen 2.902 N/A MET 150.A N GLY 145.A O no hydrogen 2.991 N/A ASP 153.A N MET 165.A O no hydrogen 2.848 N/A LYS 155.A NZ ASP 161.A OD1 no hydrogen 3.417 N/A LYS 155.A NZ ASP 161.A OD2 no hydrogen 2.966 N/A ASP 156.A N ASP 154.A OD1 no hydrogen 2.863 N/A LYS 157.A N ASP 154.A O no hydrogen 2.956 N/A CYS 158.A N ASP 154.A O no hydrogen 2.961 N/A CYS 158.A SG ASP 154.A O no hydrogen 3.930 N/A CYS 158.A SG SER 178.A OG no hydrogen 3.611 N/A LYS 159.A NZ LYS 155.A O no hydrogen 2.815 N/A ILE 164.A N LEU 176.A O no hydrogen 2.875 N/A SER 166.A N CYS 163.A O no hydrogen 2.913 N/A SER 166.A OG VAL 168.A O no hydrogen 3.042 N/A SER 170.A N GLN 173.A OE1 no hydrogen 3.177 N/A LYS 172.A N SER 170.A OG no hydrogen 3.128 N/A GLN 173.A N SER 170.A O no hydrogen 2.987 N/A GLN 173.A NE2 CYS 163.A O no hydrogen 2.822 N/A SER 174.A N THR 162.A O no hydrogen 2.770 N/A LYS 175.A NZ GLU 42.A OE2 no hydrogen 2.894 N/A LEU 176.A N SER 174.A OG no hydrogen 3.029 N/A SER 178.A OG ASP 153.A OD1 no hydrogen 2.593 N/A SER 178.A OG SER 181.A OG no hydrogen 3.267 N/A CYS 180.A SG ASP 154.A O no hydrogen 3.543 N/A SER 181.A N SER 178.A OG no hydrogen 2.944 N/A SER 181.A OG ASP 153.A OD1 no hydrogen 3.398 N/A SER 181.A OG SER 178.A OG no hydrogen 3.267 N/A LYS 182.A N SER 178.A O no hydrogen 3.026 N/A ASP 183.A N ASP 179.A O no hydrogen 2.913 N/A TYR 184.A N CYS 180.A O no hydrogen 2.933 N/A TYR 185.A N SER 181.A O no hydrogen 2.952 N/A GLN 186.A N LYS 182.A O no hydrogen 2.893 N/A THR 187.A N ASP 183.A O no hydrogen 3.018 N/A THR 187.A OG1 ASP 183.A O no hydrogen 3.200 N/A PHE 188.A N TYR 184.A O no hydrogen 2.919 N/A LEU 189.A N TYR 185.A O no hydrogen 2.869 N/A THR 190.A N GLN 186.A O no hydrogen 2.934 N/A THR 190.A OG1 GLN 186.A O no hydrogen 3.042 N/A THR 190.A OG1 GLN 186.A OE1 no hydrogen 3.117 N/A ASN 191.A N THR 187.A O no hydrogen 2.851 N/A ASP 192.A N PHE 188.A O no hydrogen 2.868 N/A ASN 193.A N PHE 188.A O no hydrogen 2.936 N/A GLN 195.A NE2 ASN 199.A OD1 no hydrogen 3.167 N/A CYS 196.A SG ASP 93.A OD2 no hydrogen 3.138 N/A LEU 198.A N GLN 195.A O no hydrogen 3.028 N/A