Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kre_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ GLU 5.A OE1 no hydrogen 3.058 N/A ILE 3.A N ILE 11.A O no hydrogen 2.836 N/A TYR 4.A N ILE 11.A O no hydrogen 3.452 N/A GLY 6.A N LYS 9.A O no hydrogen 2.964 N/A LYS 9.A NZ ASP 191.A OD1 no hydrogen 2.770 N/A LYS 9.A NZ GLU 192.A OE2 no hydrogen 2.659 N/A ILE 10.A N HIS 23.A O no hydrogen 2.840 N/A ILE 11.A N TYR 4.A O no hydrogen 2.804 N/A PHE 12.A N ILE 21.A O no hydrogen 2.845 N/A ALA 13.A N GLU 1.A O no hydrogen 2.776 N/A THR 14.A OG1 ASN 16.A O no hydrogen 2.978 N/A THR 14.A OG1 GLU 19.A O no hydrogen 2.826 N/A ASN 16.A N THR 14.A OG1 no hydrogen 3.130 N/A LEU 18.A N ASN 16.A OD1 no hydrogen 2.880 N/A GLU 19.A N ASN 16.A O no hydrogen 3.077 N/A VAL 20.A N VAL 77.A O no hydrogen 2.844 N/A ILE 21.A N PHE 12.A O no hydrogen 2.855 N/A GLN 22.A N GLN 75.A O no hydrogen 2.819 N/A GLN 22.A NE2 ASP 191.A O no hydrogen 2.918 N/A HIS 23.A N ILE 10.A O no hydrogen 2.824 N/A HIS 23.A ND1 GLU 74.A OE2 no hydrogen 2.692 N/A PHE 24.A N ARG 73.A O no hydrogen 2.790 N/A LYS 25.A N ALA 8.A O no hydrogen 2.865 N/A LYS 25.A NZ GLU 5.A OE2 no hydrogen 2.712 N/A LYS 25.A NZ GLY 6.A O no hydrogen 3.312 N/A LYS 25.A NZ GLU 27.A OE1 no hydrogen 2.664 N/A ILE 28.A N ALA 37.A O no hydrogen 2.877 N/A ALA 30.A N LYS 35.A O no hydrogen 2.935 N/A ASN 33.A ND2 ASN 33.A O no hydrogen 3.490 N/A LYS 34.A N PHE 31.A O no hydrogen 2.958 N/A LYS 35.A N ALA 30.A O no hydrogen 3.250 N/A ALA 37.A N ILE 28.A O no hydrogen 3.002 N/A ILE 39.A N ASP 26.A O no hydrogen 2.869 N/A GLU 41.A N ASP 26.A OD2 no hydrogen 3.006 N/A LYS 42.A N ILE 39.A O no hydrogen 2.983 N/A LYS 42.A NZ GLU 27.A O no hydrogen 2.803 N/A LYS 42.A NZ ASP 196.A OD2 no hydrogen 2.862 N/A GLY 43.A N ASP 26.A OD1 no hydrogen 2.864 N/A LEU 45.A N GLU 41.A O no hydrogen 3.056 N/A ASN 46.A N LYS 42.A O no hydrogen 2.912 N/A ASN 47.A N GLY 43.A O no hydrogen 2.867 N/A ASN 47.A ND2 ASN 71.A O no hydrogen 2.848 N/A ASN 47.A ND2 GLN 72.A O no hydrogen 2.929 N/A ASN 47.A ND2 GLU 74.A O no hydrogen 3.592 N/A TYR 48.A N ILE 44.A O no hydrogen 3.037 N/A ILE 49.A N LEU 45.A O no hydrogen 2.806 N/A SER 50.A N ASN 46.A O no hydrogen 2.759 N/A SER 51.A N ASN 47.A O no hydrogen 2.968 N/A SER 51.A OG.A ASN 47.A O no hydrogen 2.816 N/A SER 51.A OG.A TYR 48.A O no hydrogen 2.997 N/A PHE 52.A N TYR 48.A O no hydrogen 3.010 N/A LEU 53.A N ILE 49.A O no hydrogen 2.878 N/A MET 54.A N SER 50.A O no hydrogen 2.719 N/A LYS 55.A N SER 51.A O no hydrogen 3.081 N/A LYS 55.A NZ ASP 59.A OD1 no hydrogen 2.769 N/A LYS 55.A NZ ASP 59.A OD2 no hydrogen 3.512 N/A LYS 56.A N PHE 52.A O no hydrogen 3.040 N/A LEU 57.A N LEU 53.A O no hydrogen 2.920 N/A ILE 58.A N MET 54.A O no hydrogen 2.742 N/A ASP 59.A N LYS 55.A O no hydrogen 2.917 N/A LYS 60.A N LEU 57.A O no hydrogen 3.036 N/A GLY 61.A N ILE 58.A O no hydrogen 2.896 N/A ILE 62.A N LEU 57.A O no hydrogen 3.079 N/A LYS 63.A NZ ASP 186.A OD2 no hydrogen 2.811 N/A HIS 65.A N LEU 189.A O no hydrogen 2.765 N/A PHE 66.A N THR 64.A OG1 no hydrogen 3.042 N/A ILE 67.A N LEU 76.A O no hydrogen 2.833 N/A SER 68.A N LEU 76.A O no hydrogen 3.129 N/A SER 68.A OG.A LEU 69.A O no hydrogen 3.478 N/A LEU 70.A N GLU 74.A O no hydrogen 3.006 N/A ASN 71.A N GLU 74.A O no hydrogen 3.286 N/A ASN 71.A ND2 GLU 74.A OE1 no hydrogen 2.987 N/A ARG 73.A N ASN 71.A OD1 no hydrogen 3.071 N/A ARG 73.A NH1 PHE 24.A O no hydrogen 2.997 N/A ARG 73.A NH1 ASP 26.A OD1 no hydrogen 2.734 N/A ARG 73.A NH2 ASP 26.A OD1 no hydrogen 3.243 N/A ARG 73.A NH2 ASP 26.A OD2 no hydrogen 2.836 N/A GLU 74.A N ASN 71.A O no hydrogen 3.406 N/A GLN 75.A N GLN 22.A O no hydrogen 3.007 N/A GLN 75.A NE2 ASN 47.A OD1 no hydrogen 2.771 N/A LEU 76.A N SER 68.A O no hydrogen 2.743 N/A VAL 77.A N VAL 20.A O no hydrogen 2.875 N/A LYS 78.A N HIS 65.A O no hydrogen 2.808 N/A LYS 79.A N LEU 18.A O no hydrogen 2.895 N/A THR 81.A N LYS 178.A O no hydrogen 2.913 N/A ILE 83.A N PHE 176.A O no hydrogen 2.906 N/A ILE 85.A N ILE 83.A O no hydrogen 2.707 N/A GLU 86.A N TYR 117.A O no hydrogen 2.811 N/A VAL 87.A N LEU 174.A O no hydrogen 2.877 N/A VAL 88.A N GLU 115.A O no hydrogen 2.767 N/A ILE 89.A N PHE 172.A O no hydrogen 2.884 N/A ARG 90.A N ILE 113.A O no hydrogen 2.801 N/A ARG 90.A NE GLU 115.A OE1 no hydrogen 2.744 N/A ARG 90.A NH2 GLU 115.A OE1 no hydrogen 2.967 N/A ARG 90.A NH2 TYR 117.A OH no hydrogen 3.406 N/A ASN 91.A N VAL 170.A O no hydrogen 2.782 N/A ASN 91.A ND2 ASN 155.A OD1 no hydrogen 2.795 N/A ASN 91.A ND2 LEU 169.A O no hydrogen 2.986 N/A LEU 92.A N VAL 170.A O no hydrogen 3.162 N/A ALA 93.A N THR 107.A O no hydrogen 2.806 N/A SER 98.A N ALA 94.A O no hydrogen 3.227 N/A SER 98.A OG ASP 105.A OD1 no hydrogen 2.631 N/A LYS 99.A N GLY 95.A O no hydrogen 3.299 N/A LYS 99.A NZ ASN 96.A OD1 no hydrogen 2.788 N/A ARG 100.A N ASN 96.A O no hydrogen 2.893 N/A ARG 100.A NH2 GLU 115.A OE2 no hydrogen 2.848 N/A PHE 101.A N PHE 97.A O no hydrogen 3.138 N/A GLN 102.A N LYS 99.A O no hydrogen 3.357 N/A GLN 102.A NE2.A LYS 99.A O no hydrogen 2.906 N/A ILE 103.A N SER 98.A O no hydrogen 3.032 N/A GLY 106.A N ALA 93.A O no hydrogen 2.725 N/A THR 107.A N ALA 104.A O no hydrogen 3.102 N/A THR 107.A OG1 ALA 104.A O no hydrogen 2.680 N/A PHE 109.A N ASN 91.A O no hydrogen 3.164 N/A ILE 113.A N ARG 90.A O no hydrogen 2.873 N/A GLU 115.A N VAL 88.A O no hydrogen 2.794 N/A TYR 117.A N GLU 86.A O no hydrogen 2.925 N/A TYR 117.A OH GLU 115.A OE1 no hydrogen 2.849 N/A TYR 118.A N PRO 126.A O no hydrogen 2.840 N/A LYS 119.A N PRO 84.A O no hydrogen 2.924 N/A LYS 119.A NZ GLU 175.A OE1 no hydrogen 3.250 N/A LYS 119.A NZ GLU 175.A OE2 no hydrogen 2.614 N/A ASN 120.A N ASP 125.A OD1 no hydrogen 2.715 N/A LEU 123.A N ASN 120.A OD1 no hydrogen 2.857 N/A SER 124.A N ASP 121.A O no hydrogen 2.994 N/A ASP 125.A N ASN 120.A O no hydrogen 2.788 N/A VAL 128.A N PHE 116.A O no hydrogen 3.003 N/A HIS 132.A N SER 129.A OG no hydrogen 3.130 N/A ILE 133.A N SER 129.A O no hydrogen 3.120 N/A LEU 134.A N GLU 130.A O no hydrogen 2.892 N/A SER 135.A N GLY 131.A O no hydrogen 2.814 N/A PHE 136.A N HIS 132.A O no hydrogen 2.889 N/A GLN 137.A N LEU 134.A O no hydrogen 3.071 N/A TRP 138.A N ILE 133.A O no hydrogen 3.084 N/A THR 140.A N GLU 143.A OE1 no hydrogen 2.910 N/A GLU 143.A N THR 140.A OG1 no hydrogen 3.094 N/A LEU 144.A N THR 140.A O no hydrogen 2.936 N/A GLU 145.A N ASN 141.A O no hydrogen 3.104 N/A LYS 146.A N GLN 142.A O no hydrogen 2.926 N/A LYS 146.A NZ ASP 186.A OD1 no hydrogen 2.968 N/A LYS 146.A NZ ASP 186.A OD2 no hydrogen 2.926 N/A ILE 147.A N GLU 143.A O no hydrogen 2.751 N/A LYS 148.A N LEU 144.A O no hydrogen 3.226 N/A LYS 148.A NZ GLU 130.A OE1 no hydrogen 3.266 N/A LYS 148.A NZ GLU 130.A OE2 no hydrogen 2.727 N/A ILE 149.A N GLU 145.A O no hydrogen 3.084 N/A LEU 150.A N LYS 146.A O no hydrogen 2.822 N/A SER 151.A N ILE 147.A O no hydrogen 2.909 N/A SER 151.A OG ILE 147.A O no hydrogen 2.760 N/A LEU 152.A N LYS 148.A O no hydrogen 2.977 N/A LYS 153.A N ILE 149.A O no hydrogen 2.910 N/A LYS 153.A NZ LYS 60.A O no hydrogen 3.080 N/A ILE 154.A N LEU 150.A O no hydrogen 2.805 N/A ASN 155.A N SER 151.A O no hydrogen 2.856 N/A ASN 155.A ND2 ASN 91.A OD1 no hydrogen 2.894 N/A ASN 156.A N LEU 152.A O no hydrogen 2.931 N/A ILE 157.A N LYS 153.A O no hydrogen 2.923 N/A LEU 158.A N ILE 154.A O no hydrogen 2.857 N/A SER 159.A N ASN 155.A O no hydrogen 2.788 N/A SER 159.A OG ASN 155.A O no hydrogen 2.843 N/A SER 159.A OG ASN 155.A OD1 no hydrogen 3.144 N/A GLU 160.A N ASN 156.A O no hydrogen 3.093 N/A LEU 161.A N ILE 157.A O no hydrogen 3.024 N/A PHE 162.A N LEU 158.A O no hydrogen 2.951 N/A PHE 163.A N SER 159.A O no hydrogen 2.917 N/A ASN 164.A N GLU 160.A O no hydrogen 3.009 N/A VAL 165.A N PHE 162.A O no hydrogen 3.000 N/A GLY 166.A N PHE 163.A O no hydrogen 2.934 N/A ILE 167.A N PHE 162.A O no hydrogen 2.923 N/A LYS 168.A N TRP 201.A O no hydrogen 2.751 N/A VAL 170.A N ARG 199.A O no hydrogen 2.869 N/A PHE 172.A N ILE 89.A O no hydrogen 2.941 N/A LYS 173.A N THR 197.A O no hydrogen 2.893 N/A LYS 173.A NZ GLU 175.A OE2 no hydrogen 2.987 N/A LEU 174.A N VAL 87.A O no hydrogen 2.785 N/A GLY 177.A N PHE 188.A O no hydrogen 2.857 N/A LYS 178.A N THR 81.A O no hydrogen 2.868 N/A LYS 178.A NZ GLU 143.A OE2 no hydrogen 2.657 N/A LEU 179.A N SER 185.A OG no hydrogen 2.723 N/A GLU 183.A N GLU 183.A OE1 no hydrogen 2.776 N/A GLN 184.A N ASP 182.A OD1 no hydrogen 2.946 N/A SER 185.A N ASP 182.A O no hydrogen 3.144 N/A SER 185.A OG ASP 186.A O no hydrogen 2.877 N/A LEU 187.A N ASP 186.A OD1 no hydrogen 2.807 N/A PHE 188.A N GLY 177.A O no hydrogen 2.860 N/A LEU 189.A N LYS 63.A O no hydrogen 2.884 N/A ALA 190.A N GLU 175.A O no hydrogen 2.847 N/A ILE 193.A N SER 50.A OG no hydrogen 2.906 N/A SER 194.A N THR 197.A OG1 no hydrogen 3.035 N/A SER 194.A OG GLU 192.A OE1 no hydrogen 2.522 N/A ASP 196.A N SER 194.A OG no hydrogen 3.015 N/A THR 197.A N SER 194.A O no hydrogen 2.872 N/A THR 197.A OG1 GLU 192.A O no hydrogen 3.176 N/A THR 197.A OG1 SER 194.A O no hydrogen 3.239 N/A CYS 198.A SG SER 194.A O no hydrogen 3.506 N/A ARG 199.A N ASP 171.A O no hydrogen 2.828 N/A ARG 199.A NE ASP 212.A OD2 no hydrogen 2.732 N/A ARG 199.A NH1 ASP 171.A OD1 no hydrogen 3.447 N/A ARG 199.A NH1 ASP 171.A OD2 no hydrogen 2.828 N/A ARG 199.A NH2 ASP 212.A OD1 no hydrogen 3.468 N/A LEU 200.A N ASP 210.A OD1 no hydrogen 2.880 N/A TRP 201.A N LYS 168.A O no hydrogen 3.007 N/A ASP 202.A N LYS 207.A O no hydrogen 2.818 N/A ILE 203.A N GLY 166.A O no hydrogen 3.004 N/A SER 204.A OG ASP 202.A OD2 no hydrogen 2.766 N/A THR 205.A N ASP 202.A OD2 no hydrogen 3.198 N/A THR 205.A OG1 ASP 202.A OD2 no hydrogen 2.698 N/A ASN 206.A N ASP 202.A O no hydrogen 2.848 N/A LYS 207.A N THR 205.A OG1 no hydrogen 3.090 N/A ARG 208.A NH1 ASP 212.A OD2 no hydrogen 2.915 N/A ARG 208.A NH2 ASP 105.A OD2 no hydrogen 2.837 N/A LEU 209.A N LEU 200.A O no hydrogen 2.838 N/A LYS 211.A N PRO 195.A O no hydrogen 2.961 N/A LYS 211.A NZ THR 29.A O no hydrogen 2.882 N/A ASP 212.A N ASP 210.A OD2 no hydrogen 2.889 N/A ARG 213.A N ASP 210.A O no hydrogen 2.866 N/A ARG 213.A NE GLY 219.A O no hydrogen 2.796 N/A ARG 213.A NE ASN 220.A O no hydrogen 3.255 N/A ARG 213.A NH1 ARG 208.A O no hydrogen 2.835 N/A ARG 213.A NH2 LEU 218.A O no hydrogen 3.211 N/A ARG 213.A NH2 GLY 219.A O no hydrogen 3.054 N/A TYR 214.A N LYS 211.A O no hydrogen 2.845 N/A ARG 215.A N LYS 211.A O no hydrogen 2.957 N/A ARG 215.A NH1 ASP 212.A OD1 no hydrogen 2.778 N/A LEU 216.A N ASP 212.A O no hydrogen 2.861 N/A ASN 217.A N TYR 214.A O no hydrogen 3.090 N/A LEU 218.A N ARG 213.A O no hydrogen 2.834 N/A GLU 223.A N GLU 223.A OE1 no hydrogen 2.818 N/A GLY 224.A N ASN 220.A O no hydrogen 3.141 N/A TYR 225.A N VAL 221.A O no hydrogen 3.202 N/A TYR 225.A OH ASP 196.A OD1 no hydrogen 2.602 N/A ARG 226.A N ILE 222.A O no hydrogen 2.780 N/A ARG 226.A NH2 GLU 41.A OE1 no hydrogen 2.973 N/A GLU 227.A N GLU 223.A O no hydrogen 2.828 N/A VAL 228.A N GLY 224.A O no hydrogen 3.108 N/A ALA 229.A N TYR 225.A O no hydrogen 3.008 N/A HIS 230.A N ARG 226.A O no hydrogen 2.773 N/A LYS 231.A N GLU 227.A O no hydrogen 2.906 N/A LYS 231.A NZ VAL 165.A O no hydrogen 2.697 N/A LEU 232.A N VAL 228.A O no hydrogen 2.945 N/A ASN 233.A N HIS 230.A O no hydrogen 3.078 N/A ALA 234.A N ALA 229.A O no hydrogen 3.024 N/A