Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5ko3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 4.A NZ GLU 8.A OE1 no hydrogen 2.389 N/A ALA 5.A N ASP 1.A O no hydrogen 3.320 N/A LEU 6.A N GLU 2.A O no hydrogen 3.075 N/A LYS 7.A N THR 3.A O no hydrogen 2.946 N/A GLU 8.A N LYS 4.A O no hydrogen 3.020 N/A LEU 9.A N ALA 5.A O no hydrogen 3.236 N/A LEU 9.A N LEU 6.A O no hydrogen 3.114 N/A TYR 10.A N LEU 6.A O no hydrogen 2.793 N/A GLY 11.A N LYS 7.A O no hydrogen 2.751 N/A THR 16.A N ASP 14.A OD2 no hydrogen 2.806 N/A THR 16.A OG1 ASP 14.A OD1 no hydrogen 3.479 N/A THR 16.A OG1 ASP 14.A OD2 no hydrogen 2.446 N/A PHE 17.A N ASP 14.A O no hydrogen 3.131 N/A HIS 19.A N.B THR 16.A O no hydrogen 3.325 N/A HIS 19.A N.C THR 16.A O no hydrogen 3.322 N/A HIS 19.A O.B LEU 18.A O no hydrogen 3.526 N/A HIS 19.A O.B SER 23.A OG.B no hydrogen 2.204 N/A HIS 19.A O.C LEU 18.A O no hydrogen 3.376 N/A HIS 19.A O.C SER 23.A OG.B no hydrogen 2.283 N/A ARG 20.A N THR 16.A O no hydrogen 3.032 N/A ARG 20.A NE THR 16.A OG1 no hydrogen 3.005 N/A ARG 20.A NH1 ALA 91.A O no hydrogen 2.953 N/A ARG 20.A NH2 ASP 14.A OD1 no hydrogen 2.945 N/A PHE 21.A N PHE 17.A O no hydrogen 2.871 N/A TYR 22.A N.A LEU 18.A O no hydrogen 2.982 N/A TYR 22.A N.B LEU 18.A O no hydrogen 3.039 N/A SER 23.A N.A HIS 19.A O.B no hydrogen 3.179 N/A SER 23.A N.A HIS 19.A O.C no hydrogen 3.039 N/A SER 23.A N.B HIS 19.A O.B no hydrogen 2.910 N/A SER 23.A N.B HIS 19.A O.C no hydrogen 2.800 N/A SER 23.A OG.B HIS 19.A O.B no hydrogen 2.204 N/A SER 23.A OG.B HIS 19.A O.C no hydrogen 2.283 N/A SER 23.A OG.B ARG 20.A O no hydrogen 3.202 N/A LEU 24.A N ARG 20.A O no hydrogen 2.938 N/A LYS 25.A N PHE 21.A O no hydrogen 2.902 N/A LYS 25.A NZ ASP 84.A OD1 no hydrogen 2.630 N/A LYS 25.A NZ ASP 84.A OD2 no hydrogen 3.559 N/A ALA 26.A N TYR 22.A O.A no hydrogen 3.098 N/A ALA 26.A N TYR 22.A O.B no hydrogen 3.092 N/A ALA 27.A N SER 23.A O.A no hydrogen 2.816 N/A ALA 27.A N SER 23.A O.B no hydrogen 3.120 N/A VAL 28.A N LEU 24.A O no hydrogen 2.727 N/A HIS 29.A N ALA 26.A O no hydrogen 3.345 N/A TRP 31.A N VAL 28.A O no hydrogen 2.921 N/A TRP 31.A NE1 ASP 46.A OD2 no hydrogen 2.903 N/A VAL 34.A N SER 41.A O no hydrogen 2.743 N/A CYS 36.A N VAL 39.A O no hydrogen 2.654 N/A VAL 39.A N CYS 36.A O no hydrogen 2.946 N/A ARG 40.A NH1 HIS 77.A O no hydrogen 2.919 N/A ARG 40.A NH2 SER 82.A OG no hydrogen 2.663 N/A SER 41.A N VAL 34.A O no hydrogen 2.876 N/A SER 41.A OG ASN 51.A OD1 no hydrogen 2.738 N/A LEU 42.A N ASN 51.A OD1 no hydrogen 2.804 N/A LYS 43.A N LYS 32.A O no hydrogen 2.869 N/A LEU 44.A N SER 231.A O no hydrogen 2.977 N/A SER 45.A N ASN 48.A OD1 no hydrogen 2.986 N/A SER 45.A OG ASP 46.A OD2 no hydrogen 2.570 N/A ASN 47.A ND2 GLY 98.A O no hydrogen 2.887 N/A ASN 48.A N SER 45.A O no hydrogen 2.955 N/A ASN 48.A ND2 LYS 43.A O no hydrogen 3.219 N/A LEU 50.A N ASN 48.A O no hydrogen 2.924 N/A ASN 51.A N ASN 48.A O no hydrogen 3.402 N/A VAL 53.A N TYR 49.A O no hydrogen 2.914 N/A ILE 54.A N LEU 50.A O no hydrogen 2.851 N/A MET 55.A N ASN 51.A O no hydrogen 2.908 N/A THR 56.A N ALA 52.A O no hydrogen 3.070 N/A THR 56.A OG1 ALA 52.A O no hydrogen 2.794 N/A THR 56.A OG1 HIS 218.A ND1 no hydrogen 3.355 N/A LEU 57.A N VAL 53.A O no hydrogen 2.970 N/A ASP 58.A N ILE 54.A O no hydrogen 2.968 N/A LEU 59.A N THR 56.A O no hydrogen 2.927 N/A LEU 60.A N LEU 57.A O no hydrogen 3.169 N/A LYS 64.A N GLU 115.A O no hydrogen 2.940 N/A PHE 65.A N GLN 71.A OE1 no hydrogen 2.808 N/A VAL 66.A N LYS 113.A O no hydrogen 3.025 N/A ALA 69.A N LEU 9.A O no hydrogen 2.904 N/A GLN 71.A N ILE 67.A O no hydrogen 2.904 N/A HIS 72.A N PRO 68.A O no hydrogen 2.960 N/A ALA 73.A N ALA 69.A O no hydrogen 2.924 N/A PHE 74.A N LEU 70.A O no hydrogen 2.795 N/A MET 75.A N GLN 71.A O no hydrogen 2.925 N/A LYS 76.A N HIS 72.A O no hydrogen 2.988 N/A LYS 76.A NZ ASP 84.A OD2 no hydrogen 2.656 N/A HIS 77.A N ALA 73.A O no hydrogen 2.840 N/A HIS 77.A ND1 SER 82.A OG no hydrogen 2.538 N/A HIS 77.A NE2 ASP 58.A OD1 no hydrogen 2.714 N/A HIS 77.A NE2 ASP 58.A OD2 no hydrogen 3.184 N/A LYS 78.A N PHE 74.A O no hydrogen 2.882 N/A LYS 78.A NZ ASP 58.A OD1 no hydrogen 3.478 N/A GLY 79.A N MET 75.A O no hydrogen 2.933 N/A GLY 80.A N HIS 77.A O no hydrogen 2.942 N/A ASP 81.A N LYS 76.A O no hydrogen 2.813 N/A SER 82.A OG HIS 77.A ND1 no hydrogen 2.538 N/A ILE 86.A N SER 82.A O no hydrogen 2.961 N/A ALA 87.A N THR 83.A O no hydrogen 3.038 N/A LEU 88.A N ASP 84.A O no hydrogen 2.880 N/A ILE 89.A N PHE 85.A O no hydrogen 2.918 N/A MET 90.A N ILE 86.A O no hydrogen 3.012 N/A ALA 91.A N ALA 87.A O no hydrogen 2.900 N/A TYR 92.A N LEU 88.A O no hydrogen 2.883 N/A TYR 92.A OH TYR 10.A O no hydrogen 2.722 N/A GLY 93.A N ILE 89.A O no hydrogen 2.890 N/A ASN 94.A N ALA 91.A O no hydrogen 2.980 N/A CYS 95.A N MET 90.A O no hydrogen 2.802 N/A CYS 95.A SG ASP 101.A OD2 no hydrogen 3.632 N/A ALA 99.A N THR 96.A O no hydrogen 3.087 N/A ASP 102.A N ASP 101.A OD1 no hydrogen 2.690 N/A SER 104.A OG ASP 246.A OD1 no hydrogen 2.825 N/A SER 104.A OG ASP 246.A OD2 no hydrogen 3.324 N/A ARG 105.A N ASP 102.A OD1 no hydrogen 3.054 N/A LEU 106.A N ASP 102.A O no hydrogen 3.071 N/A LEU 107.A N ALA 103.A O no hydrogen 2.810 N/A HIS 108.A N SER 104.A O no hydrogen 3.048 N/A HIS 108.A NE2 SER 184.A OG no hydrogen 2.957 N/A THR 109.A N ARG 105.A O no hydrogen 3.011 N/A THR 109.A OG1 ARG 105.A O no hydrogen 3.055 N/A VAL 110.A N LEU 106.A O no hydrogen 2.887 N/A LEU 111.A N LEU 107.A O no hydrogen 2.955 N/A ALA 112.A N HIS 108.A O no hydrogen 2.924 N/A LYS 113.A N VAL 110.A O no hydrogen 2.957 N/A ALA 114.A N LEU 111.A O no hydrogen 2.912 N/A GLU 115.A N LYS 64.A O no hydrogen 2.782 N/A CYS 117.A N ASP 62.A O no hydrogen 2.671 N/A CYS 118.A SG ASP 62.A OD2 no hydrogen 3.570 N/A CYS 118.A SG SER 119.A O no hydrogen 3.910 N/A ARG 121.A N THR 177.A O no hydrogen 2.918 N/A ARG 121.A NH2 GLU 175.A OE2 no hydrogen 3.156 N/A MET 122.A N LEU 138.A O no hydrogen 2.849 N/A VAL 123.A N.A GLU 175.A O no hydrogen 2.880 N/A VAL 123.A N.B GLU 175.A O no hydrogen 2.886 N/A TRP 124.A N VAL 136.A O no hydrogen 2.780 N/A ARG 125.A N GLN 172.A O no hydrogen 2.766 N/A ARG 125.A NE ASP 135.A OD1 no hydrogen 2.405 N/A GLU 126.A N LYS 134.A O no hydrogen 2.858 N/A TRP 127.A N HIS 170.A O no hydrogen 2.856 N/A CYS 128.A N GLY 132.A O no hydrogen 2.930 N/A CYS 128.A SG GLU 168.A O no hydrogen 4.031 N/A GLY 132.A N CYS 128.A O no hydrogen 3.222 N/A LYS 134.A N GLU 126.A O no hydrogen 2.847 N/A LYS 134.A NZ GLU 126.A OE1 no hydrogen 3.339 N/A LYS 134.A NZ GLU 126.A OE2 no hydrogen 3.478 N/A VAL 136.A N TRP 124.A O no hydrogen 2.751 N/A LEU 138.A N MET 122.A O no hydrogen 2.776 N/A GLY 140.A N ALA 120.A O no hydrogen 2.913 N/A ALA 143.A N GLY 140.A O no hydrogen 2.848 N/A CYS 144.A N LEU 141.A O no hydrogen 2.855 N/A CYS 144.A SG GLY 140.A O no hydrogen 3.595 N/A CYS 144.A SG TRP 180.A O no hydrogen 3.999 N/A CYS 145.A SG LEU 141.A O no hydrogen 3.801 N/A TYR 146.A N LEU 182.A O no hydrogen 2.876 N/A GLY 148.A N SER 184.A O no hydrogen 2.700 N/A GLN 150.A NE2 THR 186.A O no hydrogen 3.272 N/A GLN 150.A NE2 VAL 244.A O no hydrogen 3.046 N/A GLN 150.A NE2 THR 245.A O no hydrogen 2.824 N/A THR 151.A OG1 ASP 154.A OD2 no hydrogen 2.767 N/A GLU 153.A N GLU 153.A OE2 no hydrogen 2.638 N/A ASP 154.A N THR 151.A OG1 no hydrogen 3.062 N/A LEU 155.A N THR 151.A O no hydrogen 2.989 N/A ARG 156.A N VAL 152.A O no hydrogen 2.877 N/A ARG 156.A N GLU 153.A O no hydrogen 3.241 N/A ARG 156.A NH2 GLN 252.A OE1 no hydrogen 2.962 N/A ALA 157.A N ASP 154.A O no hydrogen 3.148 N/A MET 159.A N ARG 171.A O no hydrogen 2.708 N/A TYR 161.A N ARG 169.A O no hydrogen 2.837 N/A CYS 163.A N GLY 167.A O no hydrogen 3.341 N/A ARG 169.A N TYR 161.A O no hydrogen 3.049 N/A HIS 170.A N TRP 127.A O no hydrogen 2.800 N/A ARG 171.A N MET 159.A O no hydrogen 2.920 N/A GLN 172.A N ARG 125.A O no hydrogen 2.920 N/A VAL 174.A N VAL 123.A O.A no hydrogen 2.817 N/A VAL 174.A N VAL 123.A O.B no hydrogen 2.836 N/A GLU 175.A N VAL 123.A O.A no hydrogen 3.454 N/A GLU 175.A N VAL 123.A O.B no hydrogen 3.464 N/A HIS 176.A N TYR 254.A O no hydrogen 2.859 N/A HIS 176.A NE2 ALA 143.A O no hydrogen 2.764 N/A THR 177.A N ARG 121.A O no hydrogen 3.017 N/A THR 178.A N GLN 252.A O no hydrogen 2.978 N/A THR 178.A OG1 TRP 180.A O no hydrogen 2.898 N/A TRP 180.A NE1 LYS 61.A O no hydrogen 2.952 N/A LEU 181.A N PHE 249.A O no hydrogen 2.975 N/A LEU 182.A N CYS 144.A O no hydrogen 2.741 N/A LEU 183.A N VAL 247.A O no hydrogen 2.856 N/A SER 184.A N TYR 146.A O no hydrogen 2.980 N/A SER 184.A OG HIS 108.A NE2 no hydrogen 2.957 N/A SER 184.A OG ASP 246.A OD1 no hydrogen 2.494 N/A GLY 185.A N THR 245.A O no hydrogen 3.083 N/A ASN 188.A N VAL 244.A O no hydrogen 2.928 N/A ASN 188.A ND2 GLN 150.A OE1 no hydrogen 2.961 N/A LYS 190.A N CYS 242.A O no hydrogen 2.889 N/A VAL 192.A N TRP 240.A O no hydrogen 2.800 N/A THR 193.A OG1 SER 195.A OG no hydrogen 2.905 N/A THR 193.A OG1 ASP 239.A OD1 no hydrogen 2.663 N/A THR 194.A N SER 238.A O no hydrogen 2.949 N/A THR 194.A OG1 GLY 224.A O no hydrogen 3.046 N/A THR 194.A OG1 SER 238.A O no hydrogen 3.232 N/A SER 195.A N THR 193.A OG1 no hydrogen 3.284 N/A SER 195.A OG THR 193.A OG1 no hydrogen 2.905 N/A THR 196.A OG1 THR 193.A O no hydrogen 3.130 N/A VAL 201.A N LEU 248.A O no hydrogen 2.816 N/A PHE 203.A N ALA 219.A O no hydrogen 2.985 N/A ASN 204.A N ASP 246.A O no hydrogen 2.900 N/A ASN 204.A ND2 THR 56.A OG1 no hydrogen 2.988 N/A ASN 204.A ND2 ASP 246.A OD2 no hydrogen 2.847 N/A VAL 205.A N VAL 217.A O no hydrogen 2.815 N/A PHE 206.A N LYS 243.A O no hydrogen 2.847 N/A GLN 207.A N HIS 215.A O.A no hydrogen 2.658 N/A GLN 207.A N HIS 215.A O.B no hydrogen 2.950 N/A ALA 212.A N ILE 209.A O no hydrogen 3.014 N/A HIS 215.A N.A GLN 207.A O no hydrogen 3.016 N/A HIS 215.A N.B GLN 207.A O no hydrogen 2.972 N/A HIS 215.A ND1.B GLN 207.A OE1 no hydrogen 2.230 N/A VAL 217.A N VAL 205.A O no hydrogen 2.923 N/A HIS 218.A N PHE 229.A O no hydrogen 3.237 N/A HIS 218.A ND1 ASN 204.A OD1 no hydrogen 2.885 N/A ALA 219.A N PHE 203.A O no hydrogen 2.875 N/A ARG 220.A N LEU 227.A O no hydrogen 2.896 N/A ARG 220.A NE HIS 218.A NE2 no hydrogen 2.857 N/A ARG 220.A NH2 MET 55.A O no hydrogen 2.854 N/A LEU 221.A N.A VAL 201.A O no hydrogen 2.880 N/A LEU 221.A N.B VAL 201.A O no hydrogen 2.853 N/A LYS 222.A N LEU 225.A O no hydrogen 2.941 N/A LEU 225.A N LYS 222.A O no hydrogen 3.105 N/A ILE 226.A N THR 237.A O no hydrogen 2.818 N/A LEU 227.A N ARG 220.A O no hydrogen 2.723 N/A LYS 228.A N SER 235.A O no hydrogen 2.777 N/A PHE 229.A N HIS 218.A O no hydrogen 2.714 N/A ASP 230.A N THR 233.A O no hydrogen 2.847 N/A GLY 232.A N SER 41.A OG no hydrogen 3.031 N/A THR 233.A N ASP 230.A O no hydrogen 3.359 N/A THR 233.A OG1 ASP 230.A O no hydrogen 3.078 N/A SER 235.A N LYS 228.A O no hydrogen 3.038 N/A THR 237.A N ILE 226.A O no hydrogen 2.960 N/A THR 237.A OG1 ASP 239.A O no hydrogen 2.915 N/A SER 238.A OG ASP 239.A OD2 no hydrogen 2.549 N/A ASP 239.A N THR 237.A OG1 no hydrogen 3.290 N/A TRP 240.A N VAL 192.A O no hydrogen 2.815 N/A CYS 242.A N LYS 190.A O no hydrogen 3.026 N/A CYS 242.A SG TRP 240.A O no hydrogen 3.778 N/A VAL 244.A N ASN 188.A O no hydrogen 2.845 N/A THR 245.A N ASN 204.A O no hydrogen 2.902 N/A THR 245.A OG1 ASN 204.A O no hydrogen 3.286 N/A VAL 247.A N LEU 183.A O no hydrogen 2.668 N/A LEU 248.A N ALA 202.A O no hydrogen 2.807 N/A PHE 249.A N LEU 181.A O no hydrogen 2.755 N/A GLN 252.A N THR 178.A OG1 no hydrogen 2.969 N/A GLN 252.A NE2 PRO 250.A O no hydrogen 2.902 N/A TYR 254.A N HIS 176.A O no hydrogen 2.761 N/A SER 256.A N VAL 174.A O no hydrogen 3.006 N/A SER 256.A OG VAL 174.A O no hydrogen 3.219 N/A