Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5byk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N GLU 214.A OE2 no hydrogen 2.962 N/A THR 9.A N SER 7.A O no hydrogen 2.933 N/A GLN 11.A N ILE 84.A O no hydrogen 2.848 N/A GLN 11.A NE2 SER 6.A OG no hydrogen 2.791 N/A GLN 11.A NE2 SER 7.A O no hydrogen 2.826 N/A ILE 13.A N LYS 106.A O no hydrogen 2.796 N/A SER 14.A N THR 86.A O no hydrogen 2.880 N/A ALA 15.A N LEU 108.A O no hydrogen 2.760 N/A ARG 19.A NE SER 120.A OG no hydrogen 2.766 N/A ARG 19.A NH2 SER 120.A OG no hydrogen 3.292 N/A ARG 19.A NH2 ASN 224.A O no hydrogen 2.813 N/A THR 20.A OG1 LEU 17.A O no hydrogen 2.627 N/A THR 20.A OG1 THR 110.A O no hydrogen 3.547 N/A THR 20.A OG1 THR 110.A OG1 no hydrogen 2.642 N/A THR 22.A OG1 HIS 39.A NE2 no hydrogen 2.875 N/A LYS 23.A NZ ASN 27.A OD1 no hydrogen 2.866 N/A LYS 23.A NZ ASP 251.A O no hydrogen 3.221 N/A LYS 23.A NZ LEU 252.A O no hydrogen 3.009 N/A SER 24.A OG PRO 222.A O no hydrogen 3.178 N/A LEU 25.A N GLY 21.A O no hydrogen 3.014 N/A LYS 26.A N THR 22.A O no hydrogen 2.816 N/A LYS 26.A NZ GLU 30.A OE2 no hydrogen 2.732 N/A LYS 26.A NZ CYS 37.A O no hydrogen 3.464 N/A ASN 27.A N LYS 23.A O no hydrogen 2.947 N/A ASN 27.A ND2 ASP 251.A O no hydrogen 3.020 N/A ALA 28.A N SER 24.A O no hydrogen 2.857 N/A LEU 29.A N LEU 25.A O no hydrogen 2.825 N/A GLU 30.A N LYS 26.A O no hydrogen 3.023 N/A ILE 31.A N ASN 27.A O no hydrogen 2.983 N/A ILE 32.A N ALA 28.A O no hydrogen 3.010 N/A TYR 33.A N LEU 29.A O no hydrogen 2.860 N/A HIS 34.A N GLU 30.A O no hydrogen 2.837 N/A CYS 37.A N GLU 30.A OE2 no hydrogen 2.891 N/A CYS 37.A SG TYR 38.A O no hydrogen 3.519 N/A TYR 38.A N ALA 85.A O no hydrogen 2.910 N/A TYR 38.A OH ASP 50.A OD2 no hydrogen 2.619 N/A HIS 39.A NE2 THR 22.A OG1 no hydrogen 2.875 N/A MET 40.A N ASP 88.A OD2 no hydrogen 3.047 N/A PHE 41.A N HIS 39.A ND1 no hydrogen 2.924 N/A GLU 42.A N HIS 39.A O no hydrogen 2.919 N/A ILE 44.A N MET 40.A O no hydrogen 2.943 N/A PHE 45.A N PHE 41.A O no hydrogen 2.928 N/A ASN 46.A N GLU 42.A O no hydrogen 2.901 N/A ASN 46.A ND2 GLU 42.A OE1 no hydrogen 2.960 N/A LYS 47.A N ILE 43.A O no hydrogen 3.304 N/A LYS 47.A NZ TYR 83.A OH no hydrogen 3.132 N/A GLN 48.A NE2 ILE 44.A O no hydrogen 2.867 N/A GLN 48.A NE2 LEU 144.A O no hydrogen 2.905 N/A ASP 50.A N LYS 47.A O no hydrogen 2.882 N/A ILE 51.A N GLN 48.A O no hydrogen 3.053 N/A LYS 53.A NZ GLU 78.A OE2 no hydrogen 2.417 N/A TRP 54.A N ASP 50.A O no hydrogen 2.976 N/A TRP 54.A NE1 TYR 38.A OH no hydrogen 2.900 N/A GLN 55.A N ILE 51.A O no hydrogen 2.964 N/A GLN 55.A NE2 ASP 156.A OD2 no hydrogen 2.691 N/A ASN 56.A N ILE 52.A O no hydrogen 2.890 N/A LEU 57.A N LYS 53.A O no hydrogen 3.027 N/A ILE 58.A N TRP 54.A O no hydrogen 2.937 N/A HIS 59.A N GLN 55.A O no hydrogen 2.918 N/A HIS 59.A ND1 ASP 60.A OD1 no hydrogen 2.996 N/A ASP 60.A N ASN 56.A O no hydrogen 3.062 N/A SER 61.A N ILE 58.A O no hydrogen 3.127 N/A SER 61.A OG.A LEU 57.A O no hydrogen 2.644 N/A SER 61.A OG.B ILE 58.A O no hydrogen 2.664 N/A HIS 62.A ND1 HIS 59.A O no hydrogen 3.188 N/A MET 63.A N ASP 60.A O no hydrogen 3.100 N/A ILE 64.A N SER 61.A O no hydrogen 3.218 N/A THR 65.A N THR 69.A OG1 no hydrogen 3.363 N/A THR 66.A OG1 THR 69.A OG1 no hydrogen 2.812 N/A THR 69.A N THR 66.A OG1 no hydrogen 3.367 N/A THR 69.A OG1 THR 66.A OG1 no hydrogen 2.812 N/A ILE 70.A N THR 66.A O no hydrogen 3.311 N/A ALA 71.A N THR 67.A O no hydrogen 3.422 N/A ILE 72.A N LYS 68.A O no hydrogen 3.164 N/A TYR 73.A N THR 69.A O no hydrogen 2.824 N/A TYR 73.A OH ASP 97.A OD1 no hydrogen 2.682 N/A ASP 74.A N ILE 70.A O no hydrogen 2.780 N/A LYS 75.A N ALA 71.A O no hydrogen 3.186 N/A LEU 76.A N ILE 72.A O no hydrogen 3.035 N/A LYS 77.A N TYR 73.A O no hydrogen 2.945 N/A GLU 78.A N ASP 74.A O no hydrogen 2.984 N/A LEU 79.A N LYS 75.A O no hydrogen 3.004 N/A LEU 80.A N LEU 76.A O no hydrogen 3.150 N/A LEU 80.A N LYS 77.A O no hydrogen 3.217 N/A ASP 81.A N GLU 78.A O no hydrogen 3.234 N/A TYR 83.A N LEU 80.A O no hydrogen 3.079 N/A TYR 83.A OH GLU 42.A OE2 no hydrogen 2.517 N/A ILE 84.A N PRO 36.A O no hydrogen 2.861 N/A THR 86.A N VAL 12.A O no hydrogen 3.064 N/A THR 87.A N TYR 38.A O no hydrogen 3.066 N/A THR 87.A OG1 TYR 38.A O no hydrogen 2.853 N/A LEU 89.A N ASP 88.A OD1 no hydrogen 2.753 N/A THR 91.A OG1 THR 87.A O no hydrogen 3.210 N/A THR 91.A OG1 ASP 88.A O no hydrogen 2.910 N/A CYS 92.A N ASP 88.A O no hydrogen 2.899 N/A CYS 92.A SG GLY 16.A O no hydrogen 3.714 N/A PHE 94.A N THR 91.A O no hydrogen 2.825 N/A TYR 95.A N CYS 92.A O no hydrogen 3.168 N/A LEU 98.A N PHE 94.A O no hydrogen 2.872 N/A MET 99.A N TYR 95.A O no hydrogen 2.950 N/A ASN 100.A N LYS 96.A O no hydrogen 3.269 N/A ASN 100.A ND2 TYR 73.A OH no hydrogen 3.273 N/A ILE 101.A N ASP 97.A O no hydrogen 2.969 N/A TYR 102.A N LEU 98.A O no hydrogen 2.835 N/A ALA 105.A N TYR 102.A O no hydrogen 3.009 N/A LYS 106.A N GLN 11.A O no hydrogen 2.960 N/A LYS 106.A NZ PHE 210.A O no hydrogen 2.914 N/A VAL 107.A N ARG 194.A O no hydrogen 2.848 N/A LEU 108.A N ILE 13.A O no hydrogen 2.858 N/A LEU 109.A N LEU 196.A O no hydrogen 2.916 N/A THR 110.A OG1 THR 20.A OG1 no hydrogen 2.642 N/A ILE 111.A N LEU 198.A O no hydrogen 2.921 N/A ARG 112.A N TYR 179.A OH no hydrogen 3.145 N/A ARG 112.A NH1 ARG 19.A O no hydrogen 2.903 N/A LYS 114.A NZ ASP 180.A OD2 no hydrogen 2.964 N/A ASP 116.A N ASP 113.A OD2 no hydrogen 2.951 N/A TRP 117.A N ASP 113.A O no hydrogen 2.922 N/A TRP 117.A NE1 PRO 18.A O no hydrogen 2.779 N/A LEU 118.A N LYS 114.A O no hydrogen 2.958 N/A HIS 119.A N TYR 115.A O no hydrogen 2.948 N/A SER 120.A N ASP 116.A O no hydrogen 2.995 N/A LEU 121.A N TRP 117.A O no hydrogen 2.795 N/A ARG 122.A N LEU 118.A O no hydrogen 2.880 N/A ARG 122.A NE ASP 172.A OD1 no hydrogen 2.961 N/A ARG 122.A NH1 LEU 126.A O no hydrogen 2.842 N/A ARG 122.A NH1 PHE 169.A O no hydrogen 2.899 N/A ARG 122.A NH2 PHE 169.A O no hydrogen 2.902 N/A ARG 122.A NH2 ASP 172.A OD1 no hydrogen 2.774 N/A LYS 123.A N HIS 119.A O no hydrogen 3.178 N/A LYS 123.A N SER 120.A O no hydrogen 3.139 N/A VAL 124.A N LEU 121.A O no hydrogen 3.294 N/A VAL 125.A N LEU 121.A O no hydrogen 2.846 N/A LEU 126.A N LEU 121.A O no hydrogen 2.831 N/A LYS 128.A NZ ASP 172.A OD2 no hydrogen 3.258 N/A SER 129.A N.A ASP 170.A OD1 no hydrogen 2.923 N/A SER 129.A N.B ASP 170.A OD1 no hydrogen 2.915 N/A SER 129.A OG.A ASP 170.A OD2 no hydrogen 2.458 N/A SER 129.A OG.B ASP 170.A OD1 no hydrogen 3.449 N/A SER 129.A OG.B ASP 170.A OD2 no hydrogen 3.010 N/A ASP 131.A N LYS 128.A O no hydrogen 3.045 N/A TRP 133.A N ASP 131.A OD1 no hydrogen 2.920 N/A TRP 133.A NE1 LYS 123.A O no hydrogen 2.987 N/A LYS 134.A N ASP 131.A O no hydrogen 2.966 N/A LEU 135.A N PRO 132.A O no hydrogen 3.106 N/A ILE 137.A N TRP 133.A O no hydrogen 3.003 N/A GLU 138.A N LYS 134.A O no hydrogen 3.000 N/A GLU 139.A N LEU 135.A O no hydrogen 3.066 N/A GLY 140.A N LYS 136.A O no hydrogen 2.981 N/A ASP 141.A N ILE 137.A O no hydrogen 2.779 N/A LYS 142.A N GLU 138.A O no hydrogen 3.088 N/A VAL 143.A N GLU 139.A O no hydrogen 3.367 N/A LEU 144.A N GLY 140.A O no hydrogen 3.279 N/A GLY 145.A N LYS 142.A O no hydrogen 3.003 N/A LEU 146.A N ASP 141.A O no hydrogen 2.995 N/A ASP 149.A N ASN 147.A OD1 no hydrogen 3.085 N/A PHE 150.A N ASN 147.A O no hydrogen 2.955 N/A TYR 151.A N ASN 147.A O no hydrogen 3.470 N/A TYR 151.A OH ASP 141.A OD2 no hydrogen 2.531 N/A LYS 152.A N SER 148.A O no hydrogen 2.935 N/A LEU 153.A N ASP 149.A O no hydrogen 3.020 N/A THR 154.A N PHE 150.A O no hydrogen 2.965 N/A THR 154.A OG1 PHE 150.A O no hydrogen 3.344 N/A GLU 155.A N TYR 151.A O no hydrogen 2.966 N/A ASP 156.A N LYS 152.A O no hydrogen 2.792 N/A SER 157.A N.A LEU 153.A O no hydrogen 2.849 N/A SER 157.A N.B LEU 153.A O no hydrogen 2.823 N/A SER 157.A OG.A LEU 153.A O no hydrogen 2.891 N/A SER 157.A OG.A THR 154.A O no hydrogen 3.219 N/A SER 157.A OG.B LEU 153.A O no hydrogen 2.593 N/A LEU 158.A N THR 154.A O no hydrogen 3.053 N/A LYS 159.A N GLU 155.A O no hydrogen 2.932 N/A PHE 160.A N ASP 156.A O no hydrogen 2.898 N/A ALA 161.A N SER 157.A O.A no hydrogen 3.080 N/A ALA 161.A N SER 157.A O.B no hydrogen 2.895 N/A PHE 162.A N LEU 158.A O no hydrogen 2.945 N/A GLN 163.A N.A PHE 160.A O no hydrogen 3.165 N/A GLN 163.A N.B PHE 160.A O no hydrogen 3.183 N/A LYS 164.A N LYS 159.A O no hydrogen 2.948 N/A ASP 170.A N ASN 168.A OD1 no hydrogen 3.144 N/A ASP 171.A N ASN 168.A O no hydrogen 2.989 N/A VAL 174.A N ASP 171.A OD1 no hydrogen 3.133 N/A LEU 175.A N ASP 171.A O no hydrogen 3.142 N/A LEU 176.A N ASP 172.A O no hydrogen 2.905 N/A GLU 177.A N GLN 173.A O no hydrogen 3.001 N/A CYS 178.A N VAL 174.A O no hydrogen 2.948 N/A CYS 178.A SG VAL 174.A O no hydrogen 3.356 N/A TYR 179.A N LEU 175.A O no hydrogen 2.893 N/A TYR 179.A OH ARG 112.A O no hydrogen 2.762 N/A ASP 180.A N LEU 176.A O no hydrogen 3.030 N/A GLU 181.A N GLU 177.A O no hydrogen 2.933 N/A TYR 182.A N CYS 178.A O no hydrogen 2.830 N/A TYR 182.A OH ALA 15.A O no hydrogen 2.647 N/A TYR 182.A OH CYS 92.A O no hydrogen 3.133 N/A ASN 183.A N TYR 179.A O no hydrogen 3.050 N/A ARG 184.A N ASP 180.A O no hydrogen 2.984 N/A ARG 184.A NE GLU 181.A OE1 no hydrogen 3.172 N/A ARG 184.A NH1 GLU 188.A OE1 no hydrogen 2.538 N/A ARG 184.A NH2 GLU 181.A OE2 no hydrogen 3.165 N/A ARG 184.A NH2 GLU 188.A OE1 no hydrogen 3.043 N/A LEU 185.A N GLU 181.A O no hydrogen 2.862 N/A VAL 186.A N TYR 182.A O no hydrogen 3.027 N/A GLN 187.A N ASN 183.A O no hydrogen 3.323 N/A GLU 188.A N ARG 184.A O no hydrogen 2.953 N/A THR 189.A N LEU 185.A O no hydrogen 2.867 N/A THR 189.A N VAL 186.A O no hydrogen 3.227 N/A THR 189.A OG1 LEU 185.A O no hydrogen 2.692 N/A VAL 190.A N VAL 186.A O no hydrogen 2.960 N/A ARG 194.A N PRO 191.A O no hydrogen 2.784 N/A ARG 194.A NE ALA 105.A O no hydrogen 2.804 N/A ARG 194.A NH2 MET 99.A O no hydrogen 3.186 N/A ARG 194.A NH2 ALA 105.A O no hydrogen 3.051 N/A LEU 195.A N SER 192.A O no hydrogen 3.171 N/A LEU 196.A N VAL 107.A O no hydrogen 2.969 N/A LEU 198.A N LEU 109.A O no hydrogen 2.742 N/A ARG 199.A N ASP 202.A OD2 no hydrogen 2.878 N/A LEU 200.A N ILE 111.A O no hydrogen 3.368 N/A ASP 202.A N ARG 199.A O no hydrogen 2.983 N/A TRP 204.A NE1 ILE 219.A O no hydrogen 2.758 N/A CYS 208.A N TRP 204.A O no hydrogen 2.850 N/A CYS 208.A SG TRP 204.A O no hydrogen 3.453 N/A CYS 208.A SG GLU 214.A O no hydrogen 3.883 N/A LYS 209.A N GLU 205.A O no hydrogen 3.053 N/A PHE 210.A N PRO 206.A O no hydrogen 3.043 N/A LEU 211.A N LEU 207.A O no hydrogen 3.035 N/A ASN 212.A N LYS 209.A O no hydrogen 3.185 N/A VAL 213.A N CYS 208.A O no hydrogen 3.029 N/A ASN 224.A N GLN 228.A OE1 no hydrogen 2.937 N/A GLN 228.A N SER 225.A OG no hydrogen 3.066 N/A MET 229.A N SER 225.A O no hydrogen 2.985 N/A THR 230.A N HIS 226.A O no hydrogen 2.860 N/A THR 230.A OG1 HIS 226.A O no hydrogen 3.129 N/A GLN 231.A N HIS 227.A O no hydrogen 3.069 N/A LEU 232.A N GLN 228.A O no hydrogen 2.904 N/A THR 233.A N MET 229.A O no hydrogen 2.939 N/A THR 233.A OG1 MET 229.A O no hydrogen 2.947 N/A GLU 234.A N THR 230.A O no hydrogen 3.003 N/A GLN 235.A N GLN 231.A O no hydrogen 2.868 N/A LEU 236.A N LEU 232.A O no hydrogen 2.879 N/A ILE 237.A N THR 233.A O no hydrogen 3.040 N/A LYS 238.A N GLU 234.A O no hydrogen 2.961 N/A TYR 239.A N GLN 235.A O no hydrogen 2.932 N/A LYS 240.A N LEU 236.A O no hydrogen 2.814 N/A ALA 244.A N SER 241.A OG no hydrogen 3.156 N/A ILE 245.A N LEU 242.A O no hydrogen 2.964 N/A MET 248.A N ILE 245.A O no hydrogen 2.830 N/A PHE 249.A N ILE 246.A O no hydrogen 3.076 N/A ILE 253.A N PHE 249.A O no hydrogen 3.079 N/A