Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1y6a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH GLU 9.A OE1 no hydrogen 2.728 N/A SER 6.A N ASP 4.A OD1 no hydrogen 3.121 N/A LYS 7.A N ASP 4.A OD1 no hydrogen 3.434 N/A TRP 8.A N ASP 4.A O no hydrogen 3.101 N/A GLU 9.A N ALA 5.A O no hydrogen 2.885 N/A PHE 10.A N ALA 77.A O no hydrogen 2.848 N/A ARG 12.A NE PRO 84.A O no hydrogen 2.934 N/A ARG 12.A NH1 LYS 80.A O no hydrogen 2.783 N/A ARG 12.A NH2 LYS 80.A O no hydrogen 2.807 N/A ARG 12.A NH2 PRO 84.A O no hydrogen 2.871 N/A ARG 14.A N PRO 11.A O no hydrogen 3.076 N/A LEU 15.A N ARG 12.A O no hydrogen 3.219 N/A LYS 16.A N ASP 29.A O no hydrogen 2.860 N/A GLY 18.A N GLU 27.A O no hydrogen 2.574 N/A LEU 21.A N VAL 25.A O no hydrogen 2.629 N/A GLY 22.A N VAL 25.A O no hydrogen 3.098 N/A GLN 24.A N MET 46.A O no hydrogen 3.372 N/A VAL 25.A N GLY 22.A O no hydrogen 2.950 N/A ILE 26.A N VAL 44.A O no hydrogen 2.824 N/A GLU 27.A N LYS 19.A O no hydrogen 2.777 N/A ALA 28.A N VAL 42.A O no hydrogen 3.027 N/A ASP 29.A N LYS 16.A O no hydrogen 2.816 N/A ALA 30.A N ARG 40.A O no hydrogen 2.785 N/A PHE 31.A N ARG 14.A O no hydrogen 2.995 N/A GLY 32.A N THR 38.A O no hydrogen 2.864 N/A LYS 35.A N GLY 32.A O no hydrogen 3.013 N/A THR 36.A N ASP 34.A OD1 no hydrogen 3.040 N/A THR 36.A OG1 ASP 34.A OD1 no hydrogen 2.575 N/A THR 36.A OG1 ASP 34.A OD2 no hydrogen 3.453 N/A THR 36.A OG1 THR 38.A OG1 no hydrogen 2.793 N/A THR 38.A OG1 THR 36.A OG1 no hydrogen 2.793 N/A ARG 40.A N ALA 30.A O no hydrogen 2.875 N/A ARG 40.A NE ASP 34.A OD2 no hydrogen 2.958 N/A THR 41.A OG1 ASP 29.A OD1 no hydrogen 3.374 N/A VAL 42.A N ALA 28.A O no hydrogen 2.810 N/A ALA 43.A N VAL 89.A O no hydrogen 2.913 N/A VAL 44.A N ILE 26.A O no hydrogen 2.786 N/A LYS 45.A N VAL 87.A O no hydrogen 2.880 N/A LYS 45.A NZ GLU 58.A OE1 no hydrogen 2.801 N/A LYS 45.A NZ GLU 58.A OE2 no hydrogen 3.528 N/A MET 46.A N GLN 24.A O no hydrogen 2.922 N/A LEU 47.A N LEU 85.A O no hydrogen 3.242 N/A THR 48.A OG1 GLU 51.A OE1 no hydrogen 2.819 N/A GLU 51.A N THR 48.A OG1 no hydrogen 3.091 N/A HIS 52.A N THR 48.A O no hydrogen 2.923 N/A ARG 53.A N HIS 49.A O no hydrogen 2.792 N/A ALA 54.A N SER 50.A O no hydrogen 3.000 N/A LEU 55.A N GLU 51.A O no hydrogen 3.046 N/A MET 56.A N HIS 52.A O no hydrogen 2.947 N/A SER 57.A N ARG 53.A O no hydrogen 2.887 N/A SER 57.A OG ARG 53.A O no hydrogen 2.747 N/A GLU 58.A N ALA 54.A O no hydrogen 3.051 N/A LEU 59.A N LEU 55.A O no hydrogen 3.007 N/A LYS 60.A N MET 56.A O no hydrogen 2.812 N/A ILE 61.A N SER 57.A O no hydrogen 2.869 N/A LEU 62.A N GLU 58.A O no hydrogen 2.954 N/A ILE 63.A N LEU 59.A O no hydrogen 3.041 N/A HIS 64.A N LYS 60.A O no hydrogen 2.903 N/A ILE 65.A N ILE 61.A O no hydrogen 2.846 N/A GLY 66.A N LEU 62.A O no hydrogen 3.121 N/A HIS 68.A N ASN 73.A OD1 no hydrogen 3.120 N/A ASN 70.A ND2 VAL 156.A O no hydrogen 3.142 N/A VAL 71.A N HIS 68.A O no hydrogen 3.398 N/A VAL 72.A N ILE 158.A O no hydrogen 2.953 N/A ASN 73.A N GLU 90.A OE1 no hydrogen 2.832 N/A ASN 73.A ND2 HIS 68.A O no hydrogen 2.700 N/A ASN 73.A ND2 GLU 90.A OE1 no hydrogen 3.078 N/A ASN 73.A ND2 GLU 90.A OE2 no hydrogen 3.561 N/A LEU 75.A N ILE 88.A O no hydrogen 2.737 N/A GLY 76.A N ILE 88.A O no hydrogen 3.168 N/A ALA 77.A N TRP 8.A O no hydrogen 2.910 N/A CYS 78.A N MET 86.A O no hydrogen 2.870 N/A CYS 78.A SG PHE 10.A O no hydrogen 3.373 N/A THR 79.A N GLU 9.A OE1 no hydrogen 3.417 N/A THR 79.A N GLU 9.A OE2 no hydrogen 2.818 N/A THR 79.A OG1 GLU 9.A OE1 no hydrogen 2.702 N/A LYS 80.A N GLU 9.A OE2 no hydrogen 3.010 N/A MET 86.A N CYS 78.A O no hydrogen 2.973 N/A VAL 87.A N LYS 45.A O no hydrogen 2.810 N/A ILE 88.A N GLY 76.A O no hydrogen 2.870 N/A VAL 89.A N ALA 43.A O no hydrogen 2.781 N/A GLU 90.A N ASN 73.A O no hydrogen 3.083 N/A LYS 93.A NZ GLU 152.A OE1 no hydrogen 2.791 N/A PHE 94.A N LEU 150.A O no hydrogen 3.042 N/A GLY 95.A N CYS 92.A O no hydrogen 3.229 N/A ASN 96.A ND2 THR 99.A OG1 no hydrogen 2.942 N/A LEU 97.A N ILE 148.A O no hydrogen 2.813 N/A THR 99.A N ASN 96.A OD1 no hydrogen 3.092 N/A TYR 100.A N ASN 96.A O no hydrogen 3.070 N/A LEU 101.A N LEU 97.A O no hydrogen 2.797 N/A ARG 102.A N SER 98.A O no hydrogen 3.125 N/A ARG 102.A NE GLY 196.A O no hydrogen 3.052 N/A ARG 102.A NH2 SER 98.A OG no hydrogen 3.249 N/A SER 103.A N THR 99.A O no hydrogen 3.210 N/A SER 103.A OG TYR 100.A O no hydrogen 2.550 N/A LYS 104.A N LEU 101.A O no hydrogen 2.963 N/A LYS 104.A NZ GLU 107.A OE1 no hydrogen 2.396 N/A LYS 104.A NZ ASP 112.A O no hydrogen 2.693 N/A ARG 105.A N ARG 102.A O no hydrogen 3.313 N/A ARG 105.A NE SER 194.A O no hydrogen 3.397 N/A ARG 105.A NE LEU 195.A O no hydrogen 2.822 N/A ARG 105.A NH2 SER 194.A O no hydrogen 3.528 N/A ARG 105.A NH2 LEU 195.A O no hydrogen 3.228 N/A GLU 107.A N LYS 104.A O no hydrogen 2.803 N/A VAL 109.A N LEU 114.A O no hydrogen 2.979 N/A LEU 114.A N GLU 107.A O no hydrogen 2.917 N/A LEU 116.A N PRO 110.A O no hydrogen 3.004 N/A LEU 119.A N THR 115.A O no hydrogen 3.168 N/A ILE 120.A N LEU 116.A O no hydrogen 2.879 N/A CYS 121.A N GLU 117.A O no hydrogen 2.883 N/A TYR 122.A N HIS 118.A O no hydrogen 2.886 N/A TYR 122.A OH ASN 154.A OD1 no hydrogen 2.529 N/A SER 123.A N LEU 119.A O no hydrogen 3.078 N/A SER 123.A OG LEU 119.A O no hydrogen 2.796 N/A PHE 124.A N ILE 120.A O no hydrogen 2.860 N/A GLN 125.A N CYS 121.A O no hydrogen 2.990 N/A GLN 125.A NE2 CYS 121.A O no hydrogen 3.642 N/A GLN 125.A NE2 ASN 154.A O no hydrogen 2.760 N/A VAL 126.A N TYR 122.A O no hydrogen 3.009 N/A ALA 127.A N SER 123.A O no hydrogen 3.145 N/A LYS 128.A N PHE 124.A O no hydrogen 2.910 N/A GLY 129.A N GLN 125.A O no hydrogen 2.910 N/A MET 130.A N VAL 126.A O no hydrogen 2.834 N/A GLU 131.A N ALA 127.A O no hydrogen 2.741 N/A PHE 132.A N LYS 128.A O no hydrogen 2.987 N/A LEU 133.A N GLY 129.A O no hydrogen 3.000 N/A ALA 134.A N MET 130.A O no hydrogen 2.857 N/A SER 135.A N GLU 131.A O no hydrogen 3.024 N/A SER 135.A OG PHE 132.A O no hydrogen 2.716 N/A ARG 136.A N PHE 132.A O no hydrogen 3.100 N/A ARG 136.A N LEU 133.A O no hydrogen 3.140 N/A ARG 136.A NE ILE 65.A O no hydrogen 2.975 N/A ARG 136.A NH2 HIS 64.A O no hydrogen 2.882 N/A LYS 137.A N ALA 134.A O no hydrogen 2.825 N/A CYS 138.A N LEU 133.A O no hydrogen 2.865 N/A HIS 140.A N ASP 181.A OD2 no hydrogen 2.661 N/A HIS 140.A NE2 CYS 159.A O no hydrogen 2.622 N/A ARG 141.A N ASP 181.A OD1 no hydrogen 2.836 N/A ASP 142.A N HIS 140.A ND1 no hydrogen 3.092 N/A ALA 145.A N GLU 191.A OE1 no hydrogen 2.827 N/A ARG 146.A NH1 ASP 142.A OD1 no hydrogen 3.062 N/A ASN 147.A N ALA 144.A O no hydrogen 2.871 N/A ASN 147.A ND2 ASP 142.A O no hydrogen 2.767 N/A ILE 148.A N ALA 145.A O no hydrogen 3.122 N/A LEU 149.A N LYS 157.A O no hydrogen 2.784 N/A LEU 150.A N GLY 95.A O no hydrogen 2.865 N/A SER 151.A N VAL 155.A O no hydrogen 2.774 N/A VAL 155.A N GLU 152.A O no hydrogen 3.261 N/A VAL 156.A N GLN 125.A OE1 no hydrogen 3.091 N/A LYS 157.A N LEU 149.A O no hydrogen 2.842 N/A LYS 157.A NZ LEU 69.A O no hydrogen 2.656 N/A LYS 157.A NZ VAL 71.A O no hydrogen 3.432 N/A LYS 157.A NZ GLU 90.A OE1 no hydrogen 2.928 N/A LYS 157.A NZ GLU 90.A OE2 no hydrogen 3.529 N/A ILE 158.A N ASN 70.A O no hydrogen 2.986 N/A CYS 159.A N ASN 147.A O no hydrogen 2.823 N/A CYS 159.A SG ASN 147.A O no hydrogen 3.337 N/A LYS 164.A NZ PRO 199.A O no hydrogen 2.646 N/A TRP 165.A N PRO 162.A O no hydrogen 3.172 N/A TRP 165.A NE1 GLU 191.A OE1 no hydrogen 2.903 N/A MET 166.A N LEU 163.A O no hydrogen 3.173 N/A GLU 169.A N GLU 169.A OE1 no hydrogen 2.806 N/A THR 170.A N ALA 167.A O no hydrogen 2.890 N/A THR 170.A OG1 VAL 175.A O no hydrogen 2.447 N/A ILE 171.A N ALA 167.A O no hydrogen 3.156 N/A PHE 172.A N PRO 168.A O no hydrogen 2.924 N/A ASP 173.A N GLU 169.A O no hydrogen 2.823 N/A VAL 175.A N GLU 169.A O no hydrogen 3.463 N/A THR 177.A N SER 180.A OG no hydrogen 2.833 N/A GLN 179.A NE2 PRO 241.A O no hydrogen 3.174 N/A GLN 179.A NE2 PRO 245.A O no hydrogen 3.213 N/A SER 180.A N THR 177.A OG1 no hydrogen 3.058 N/A SER 180.A OG THR 177.A O no hydrogen 2.761 N/A ASP 181.A N THR 177.A O no hydrogen 3.209 N/A VAL 182.A N ILE 178.A O no hydrogen 3.042 N/A TRP 183.A N GLN 179.A O no hydrogen 3.226 N/A SER 184.A N SER 180.A O no hydrogen 3.087 N/A SER 184.A OG TRP 165.A O no hydrogen 2.727 N/A SER 184.A OG SER 180.A O no hydrogen 3.151 N/A PHE 185.A N ASP 181.A O no hydrogen 2.720 N/A GLY 186.A N VAL 182.A O no hydrogen 3.044 N/A VAL 187.A N TRP 183.A O no hydrogen 3.202 N/A LEU 188.A N SER 184.A O no hydrogen 2.840 N/A LEU 189.A N PHE 185.A O no hydrogen 2.822 N/A TRP 190.A N GLY 186.A O no hydrogen 3.053 N/A TRP 190.A NE1 ARG 220.A O no hydrogen 3.036 N/A GLU 191.A N VAL 187.A O no hydrogen 2.977 N/A ILE 192.A N LEU 188.A O no hydrogen 2.881 N/A PHE 193.A N LEU 189.A O no hydrogen 2.933 N/A SER 194.A OG TRP 190.A O no hydrogen 3.241 N/A SER 194.A OG GLU 191.A O no hydrogen 2.938 N/A LEU 195.A N ILE 192.A O no hydrogen 2.870 N/A GLY 196.A N GLU 191.A O no hydrogen 2.839 N/A ALA 197.A N SER 194.A OG no hydrogen 2.925 N/A VAL 203.A N TYR 200.A O no hydrogen 3.100 N/A PHE 209.A N ASP 206.A OD1 no hydrogen 2.941 N/A CYS 210.A N ASP 206.A O no hydrogen 3.131 N/A CYS 210.A SG ASP 206.A O no hydrogen 3.558 N/A ARG 211.A N GLU 207.A O no hydrogen 3.008 N/A ARG 211.A NE GLU 208.A OE1 no hydrogen 2.606 N/A ARG 211.A NH2 GLU 208.A OE1 no hydrogen 3.461 N/A ARG 211.A NH2 GLU 208.A OE2 no hydrogen 2.947 N/A ARG 212.A N GLU 208.A O no hydrogen 2.953 N/A LEU 213.A N PHE 209.A O no hydrogen 2.989 N/A LYS 214.A N CYS 210.A O no hydrogen 3.032 N/A GLU 215.A N ARG 211.A O no hydrogen 2.971 N/A GLY 216.A N LEU 213.A O no hydrogen 3.190 N/A THR 217.A N ARG 212.A O no hydrogen 2.815 N/A THR 217.A OG1 ARG 212.A O no hydrogen 3.320 N/A ARG 218.A NE TRP 237.A O no hydrogen 3.174 N/A ARG 218.A NH1 LEU 213.A O no hydrogen 2.953 N/A ARG 218.A NH1 THR 217.A O no hydrogen 3.033 N/A ARG 218.A NH2 TRP 237.A O no hydrogen 2.858 N/A TYR 224.A N PHE 193.A O no hydrogen 2.910 N/A THR 225.A N PRO 222.A O no hydrogen 3.409 N/A THR 225.A OG1 THR 226.A O no hydrogen 2.745 N/A THR 226.A OG1 GLU 228.A OE1 no hydrogen 3.185 N/A MET 229.A N THR 226.A OG1 no hydrogen 3.140 N/A TYR 230.A N THR 226.A O no hydrogen 3.046 N/A TYR 230.A OH MET 219.A O no hydrogen 2.600 N/A GLN 231.A N PRO 227.A O no hydrogen 3.014 N/A GLN 231.A NE2 GLN 231.A O no hydrogen 3.262 N/A GLN 231.A NE2 ASP 235.A OD1 no hydrogen 2.876 N/A THR 232.A N GLU 228.A O no hydrogen 3.056 N/A THR 232.A OG1 GLU 228.A O no hydrogen 3.015 N/A MET 233.A N MET 229.A O no hydrogen 3.095 N/A LEU 234.A N TYR 230.A O no hydrogen 2.994 N/A ASP 235.A N GLN 231.A O no hydrogen 2.932 N/A CYS 236.A N THR 232.A O no hydrogen 2.972 N/A CYS 236.A SG THR 232.A O no hydrogen 3.287 N/A TRP 237.A N MET 233.A O no hydrogen 2.947 N/A HIS 238.A N ASP 235.A O no hydrogen 3.190 N/A GLU 240.A N HIS 238.A ND1 no hydrogen 3.007 N/A GLN 243.A N GLU 240.A O no hydrogen 2.855 N/A ARG 244.A N PRO 241.A O no hydrogen 3.278 N/A ARG 244.A NE HIS 238.A O no hydrogen 2.686 N/A ARG 244.A NH1 GLU 169.A OE2 no hydrogen 2.975 N/A ARG 244.A NH1 GLN 179.A O no hydrogen 2.973 N/A ARG 244.A NH2 GLU 169.A OE1 no hydrogen 3.088 N/A ARG 244.A NH2 HIS 238.A O no hydrogen 2.949 N/A THR 246.A N GLU 249.A OE1 no hydrogen 3.067 N/A SER 248.A OG GLU 131.A OE2 no hydrogen 2.770 N/A GLU 249.A N THR 246.A OG1 no hydrogen 3.170 N/A LEU 250.A N THR 246.A O no hydrogen 2.968 N/A VAL 251.A N PHE 247.A O no hydrogen 2.883 N/A GLU 252.A N SER 248.A O no hydrogen 3.041 N/A HIS 253.A N GLU 249.A O no hydrogen 2.830 N/A LEU 254.A N LEU 250.A O no hydrogen 2.717 N/A GLY 255.A N VAL 251.A O no hydrogen 2.866 N/A ASN 256.A N GLU 252.A O no hydrogen 3.042 N/A LEU 257.A N HIS 253.A O no hydrogen 2.969 N/A LEU 258.A N LEU 254.A O no hydrogen 2.789 N/A GLN 259.A N GLY 255.A O no hydrogen 2.854 N/A ALA 260.A N ASN 256.A O no hydrogen 2.887 N/A ASN 261.A N LEU 258.A O no hydrogen 2.999 N/A ASN 261.A ND2 GLU 117.A OE1 no hydrogen 2.793 N/A