Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ish_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A N ASP 129.A OD2 no hydrogen 3.130 N/A THR 6.A N ASP 120.A O no hydrogen 2.784 N/A THR 6.A OG1 ASP 120.A O no hydrogen 3.073 N/A SER 7.A N SER 109.A O no hydrogen 2.845 N/A SER 7.A OG SER 109.A O no hydrogen 3.538 N/A ILE 13.A N HIS 9.A O no hydrogen 3.123 N/A PHE 14.A N LEU 10.A O no hydrogen 2.838 N/A LEU 15.A N ARG 11.A O no hydrogen 2.864 N/A GLY 16.A N ASP 12.A O no hydrogen 2.870 N/A ARG 17.A N ILE 13.A O no hydrogen 2.886 N/A ARG 17.A NH1 ASP 106.A O no hydrogen 3.209 N/A ARG 17.A NH2 ARG 103.A O no hydrogen 3.159 N/A ARG 17.A NH2 ASP 106.A O no hydrogen 2.613 N/A CYS 18.A N PHE 14.A O no hydrogen 2.940 N/A ALA 19.A N LEU 15.A O no hydrogen 2.813 N/A GLU 20.A N GLY 16.A O no hydrogen 2.982 N/A TYR 21.A N ARG 17.A O no hydrogen 2.871 N/A TYR 21.A OH HIS 66.A NE2 no hydrogen 3.343 N/A TYR 21.A OH ASP 98.A O no hydrogen 2.583 N/A ARG 22.A N CYS 18.A O no hydrogen 3.111 N/A ARG 22.A NE ARG 30.A O no hydrogen 2.917 N/A ARG 22.A NH2 ARG 30.A O no hydrogen 2.939 N/A LEU 24.A N TYR 21.A O no hydrogen 2.825 N/A LEU 25.A N ARG 22.A O no hydrogen 3.102 N/A GLU 28.A N GLU 28.A OE1 no hydrogen 2.558 N/A GLN 29.A N SER 26.A O no hydrogen 3.004 N/A ARG 30.A N PRO 27.A O no hydrogen 3.101 N/A LYS 32.A NZ GLN 29.A O no hydrogen 3.229 N/A LYS 32.A NZ ARG 65.A O no hydrogen 3.534 N/A ALA 36.A N ASP 33.A OD1 no hydrogen 2.960 N/A ILE 37.A N ASP 33.A O no hydrogen 2.846 N/A TRP 38.A N CYS 34.A O no hydrogen 2.865 N/A GLU 39.A N THR 35.A O no hydrogen 2.938 N/A ALA 40.A N ALA 36.A O no hydrogen 2.884 N/A PHE 41.A N ILE 37.A O no hydrogen 2.943 N/A LYS 42.A N TRP 38.A O no hydrogen 2.854 N/A VAL 43.A N ALA 40.A O no hydrogen 3.373 N/A ALA 44.A N PHE 41.A O no hydrogen 3.392 N/A LEU 45.A N LYS 42.A O no hydrogen 2.877 N/A ASP 46.A N VAL 43.A O no hydrogen 3.279 N/A CYS 50.A N ASP 48.A OD2 no hydrogen 3.092 N/A SER 51.A N ASP 48.A O no hydrogen 2.696 N/A SER 51.A OG ASP 48.A OD2 no hydrogen 2.761 N/A VAL 52.A N ASN 132.A O no hydrogen 3.133 N/A LEU 53.A N ASP 56.A OD2 no hydrogen 2.641 N/A ASP 56.A N LEU 53.A O no hydrogen 3.006 N/A TYR 57.A N PRO 54.A O no hydrogen 3.069 N/A TYR 57.A OH PRO 134.A O no hydrogen 2.816 N/A ASP 58.A N SER 55.A O no hydrogen 3.031 N/A ILE 61.A N TYR 57.A O no hydrogen 2.981 N/A THR 62.A N ASP 58.A O no hydrogen 2.866 N/A THR 62.A OG1 ASP 58.A O no hydrogen 3.101 N/A LEU 63.A N LEU 59.A O no hydrogen 2.955 N/A SER 64.A N PHE 60.A O no hydrogen 3.063 N/A SER 64.A N ILE 61.A O no hydrogen 3.152 N/A SER 64.A OG PHE 60.A O no hydrogen 2.652 N/A ARG 65.A N ILE 61.A O no hydrogen 2.701 N/A ARG 65.A NE ASP 149.A OD2 no hydrogen 3.024 N/A ARG 65.A NH1 ASP 149.A OD1 no hydrogen 2.990 N/A ASP 71.A N SER 151.A O no hydrogen 3.032 N/A LYS 72.A N PRO 69.A O no hydrogen 3.218 N/A LYS 72.A NZ ARG 92.A O no hydrogen 2.940 N/A SER 73.A OG SER 150.A OG no hydrogen 2.500 N/A LEU 74.A N TYR 146.A OH no hydrogen 2.978 N/A PHE 75.A N HIS 155.A O no hydrogen 2.798 N/A GLU 77.A N MET 157.A O no hydrogen 3.128 N/A SER 79.A OG GLU 77.A O no hydrogen 2.780 N/A HIS 80.A NE2 ASP 106.A OD2 no hydrogen 2.766 N/A VAL 83.A N SER 79.A O no hydrogen 2.867 N/A ASN 84.A N HIS 80.A O no hydrogen 3.008 N/A SER 85.A N LEU 81.A O no hydrogen 2.993 N/A SER 85.A OG LEU 81.A O no hydrogen 3.403 N/A PHE 86.A N LEU 82.A O no hydrogen 2.829 N/A ALA 87.A N VAL 83.A O no hydrogen 2.899 N/A ASP 88.A N ASN 84.A O no hydrogen 3.258 N/A THR 90.A N ASP 98.A OD2 no hydrogen 3.334 N/A ARG 91.A N ASP 88.A O no hydrogen 3.008 N/A ARG 91.A NE ASP 88.A OD2 no hydrogen 3.065 N/A ARG 91.A NH2 ASP 88.A OD2 no hydrogen 3.328 N/A ARG 92.A N ALA 87.A O no hydrogen 2.932 N/A ARG 92.A NH1 PHE 86.A O no hydrogen 2.918 N/A MET 94.A N LYS 72.A O no hydrogen 2.810 N/A ASP 98.A N PRO 95.A O no hydrogen 2.726 N/A VAL 99.A N LEU 96.A O no hydrogen 3.078 N/A GLY 102.A N VAL 99.A O no hydrogen 2.912 N/A ARG 103.A N VAL 99.A O no hydrogen 2.761 N/A ARG 103.A NE SER 97.A O no hydrogen 3.048 N/A ARG 103.A NH1 ASN 89.A OD1 no hydrogen 3.170 N/A ARG 103.A NH2 ASN 89.A OD1 no hydrogen 2.796 N/A ARG 103.A NH2 ASP 98.A OD1 no hydrogen 2.629 N/A VAL 104.A N LEU 100.A O no hydrogen 3.378 N/A ALA 105.A N GLY 102.A O no hydrogen 3.048 N/A LEU 108.A N ALA 105.A O no hydrogen 2.924 N/A SER 109.A N SER 7.A OG no hydrogen 2.857 N/A SER 109.A OG GLU 4.A O no hydrogen 3.008 N/A TRP 110.A NE1 TYR 57.A OH no hydrogen 3.124 N/A CYS 111.A N THR 6.A OG1 no hydrogen 3.201 N/A CYS 111.A SG SER 123.A O no hydrogen 3.371 N/A ARG 112.A NE GLN 113.A O no hydrogen 3.072 N/A ARG 112.A NH1 LYS 114.A O no hydrogen 3.434 N/A GLN 113.A N GLY 118.A O no hydrogen 2.874 N/A GLN 113.A NE2 LEU 119.A O no hydrogen 3.535 N/A ASP 120.A N CYS 111.A O no hydrogen 2.915 N/A GLN 122.A N ASP 120.A OD1 no hydrogen 2.793 N/A SER 123.A N ASP 120.A OD1 no hydrogen 3.181 N/A SER 123.A OG TRP 1.A O no hydrogen 3.317 N/A CYS 124.A N ALA 3.A O no hydrogen 3.010 N/A CYS 124.A SG ASP 120.A O no hydrogen 3.940 N/A THR 126.A N ASP 129.A OD2 no hydrogen 3.029 N/A THR 126.A OG1 ASP 129.A OD2 no hydrogen 3.292 N/A GLU 128.A N THR 126.A OG1 no hydrogen 3.183 N/A CYS 130.A N THR 126.A O no hydrogen 3.102 N/A CYS 130.A SG PRO 49.A O no hydrogen 3.997 N/A ASN 133.A ND2 CYS 130.A O no hydrogen 3.261 N/A ASN 133.A ND2 ASP 136.A OD2 no hydrogen 2.678 N/A ASP 136.A N ASN 133.A OD1 no hydrogen 2.801 N/A SER 137.A N ASN 133.A O no hydrogen 3.106 N/A SER 137.A OG VAL 52.A O no hydrogen 2.648 N/A SER 137.A OG ASN 133.A O no hydrogen 3.519 N/A PHE 138.A N PRO 134.A O no hydrogen 3.082 N/A TRP 139.A N VAL 135.A O no hydrogen 3.171 N/A LYS 140.A N ASP 136.A O no hydrogen 2.967 N/A LYS 140.A NZ TYR 176.A OH no hydrogen 3.078 N/A ARG 141.A N SER 137.A O no hydrogen 3.128 N/A ARG 141.A NE ASP 58.A OD1 no hydrogen 2.590 N/A ARG 141.A NH1 ARG 141.A O no hydrogen 2.736 N/A ARG 141.A NH1 GLN 145.A OE1 no hydrogen 3.398 N/A ARG 141.A NH2 GLN 145.A OE1 no hydrogen 3.220 N/A ALA 142.A N PHE 138.A O no hydrogen 2.874 N/A SER 143.A N TRP 139.A O no hydrogen 2.757 N/A SER 143.A OG TRP 139.A O no hydrogen 2.646 N/A ILE 144.A N LYS 140.A O no hydrogen 3.051 N/A GLN 145.A N ARG 141.A O no hydrogen 3.230 N/A GLN 145.A NE2 ASP 149.A OD2 no hydrogen 2.771 N/A TYR 146.A N ALA 142.A O no hydrogen 2.933 N/A TYR 146.A OH MET 94.A O no hydrogen 2.594 N/A SER 147.A N SER 143.A O no hydrogen 2.875 N/A SER 147.A OG SER 143.A O no hydrogen 2.855 N/A LYS 148.A N ILE 144.A O no hydrogen 2.892 N/A ASP 149.A N GLN 145.A O no hydrogen 3.054 N/A SER 150.A N SER 147.A O no hydrogen 3.112 N/A SER 150.A OG SER 73.A OG no hydrogen 2.500 N/A SER 150.A OG TYR 146.A O no hydrogen 2.869 N/A GLY 152.A N LYS 185.A O no hydrogen 2.858 N/A VAL 153.A N ASP 71.A OD1 no hydrogen 2.582 N/A ILE 154.A N ARG 188.A O no hydrogen 2.734 N/A HIS 155.A N SER 73.A O no hydrogen 3.329 N/A VAL 156.A N GLU 190.A O no hydrogen 3.013 N/A MET 157.A N PHE 75.A O no hydrogen 2.773 N/A LEU 158.A N TRP 192.A O no hydrogen 2.815 N/A ASN 159.A ND2 ASN 78.A O no hydrogen 2.910 N/A GLY 160.A N MET 194.A O no hydrogen 2.617 N/A SER 161.A N ASN 159.A OD1 no hydrogen 2.764 N/A SER 161.A OG PRO 200.A O no hydrogen 2.723 N/A GLU 162.A N ASN 159.A O no hydrogen 3.388 N/A THR 164.A N GLU 162.A OE2 no hydrogen 3.342 N/A THR 164.A OG1 GLU 162.A OE2 no hydrogen 2.859 N/A GLY 165.A N GLU 162.A O no hydrogen 2.993 N/A ALA 166.A N GLU 203.A OE2 no hydrogen 2.680 N/A TYR 167.A N SER 209.A OG no hydrogen 2.841 N/A PHE 173.A N GLU 77.A OE2 no hydrogen 3.314 N/A ASP 175.A N GLY 171.A O no hydrogen 2.839 N/A TYR 176.A N PHE 172.A O no hydrogen 2.858 N/A ILE 178.A N PHE 173.A O no hydrogen 2.940 N/A ASN 180.A N GLU 177.A O no hydrogen 2.888 N/A ASN 180.A ND2 TYR 176.A O no hydrogen 2.762 N/A LEU 181.A N ILE 178.A O no hydrogen 3.308 N/A GLN 182.A NE2 ASN 180.A O no hydrogen 3.342 N/A GLU 184.A N GLU 184.A OE1 no hydrogen 2.610 N/A LYS 185.A N GLN 182.A O no hydrogen 3.062 N/A LYS 185.A NZ LYS 148.A O no hydrogen 2.650 N/A ILE 186.A N LYS 183.A O no hydrogen 3.157 N/A THR 187.A N GLY 152.A O no hydrogen 2.902 N/A ARG 188.A NH1 GLU 190.A OE1 no hydrogen 3.327 N/A ARG 188.A NH2 GLU 190.A OE1 no hydrogen 3.018 N/A ILE 189.A N GLN 223.A O no hydrogen 2.989 N/A GLU 190.A N ILE 154.A O no hydrogen 2.784 N/A ILE 191.A N SER 225.A O no hydrogen 2.791 N/A TRP 192.A N VAL 156.A O no hydrogen 2.658 N/A TRP 192.A NE1 GLU 190.A OE2 no hydrogen 2.746 N/A VAL 193.A N ILE 227.A O no hydrogen 2.895 N/A MET 194.A N LEU 158.A O no hydrogen 2.973 N/A HIS 195.A N ASP 229.A OD1 no hydrogen 2.897 N/A HIS 195.A ND1 ASP 229.A OD2 no hydrogen 2.769 N/A HIS 195.A NE2 GLU 203.A O no hydrogen 2.854 N/A GLU 196.A N SER 161.A OG no hydrogen 2.970 N/A GLU 203.A N GLY 160.A O no hydrogen 3.142 N/A SER 204.A N GLU 207.A OE1 no hydrogen 2.965 N/A SER 204.A OG HIS 195.A NE2 no hydrogen 3.330 N/A SER 204.A OG ASN 201.A OD1 no hydrogen 2.822 N/A CYS 205.A N ASN 228.A OD1 no hydrogen 2.962 N/A CYS 205.A SG ASN 228.A OD1 no hydrogen 3.520 N/A GLU 207.A N SER 204.A O no hydrogen 3.018 N/A SER 209.A N GLU 203.A OE1 no hydrogen 2.650 N/A SER 209.A OG GLU 203.A OE1 no hydrogen 3.294 N/A SER 209.A OG GLU 203.A OE2 no hydrogen 2.535 N/A MET 210.A N GLU 207.A O no hydrogen 2.827 N/A LYS 211.A N GLY 208.A O no hydrogen 2.899 N/A LEU 213.A N SER 209.A O no hydrogen 3.096 N/A GLU 214.A N MET 210.A O no hydrogen 2.954 N/A LYS 215.A N LYS 211.A O no hydrogen 2.903 N/A LYS 215.A NZ ASP 219.A OD2 no hydrogen 3.198 N/A ARG 216.A N VAL 212.A O no hydrogen 3.078 N/A ARG 216.A NH2 ALA 174.A O no hydrogen 2.754 N/A LEU 217.A N LEU 213.A O no hydrogen 2.878 N/A LYS 218.A N GLU 214.A O no hydrogen 2.889 N/A LYS 218.A NZ GLU 214.A OE2 no hydrogen 3.225 N/A ASP 219.A N LYS 215.A O no hydrogen 2.755 N/A MET 220.A N ARG 216.A O no hydrogen 3.002 N/A MET 220.A N LEU 217.A O no hydrogen 3.209 N/A GLY 221.A N LYS 218.A O no hydrogen 2.825 N/A PHE 222.A N LEU 217.A O no hydrogen 3.129 N/A ILE 227.A N ILE 191.A O no hydrogen 2.694 N/A ASP 229.A N VAL 193.A O no hydrogen 2.862 N/A LYS 234.A N TYR 230.A O no hydrogen 2.986 N/A LYS 234.A NZ ASP 229.A OD1 no hydrogen 2.677 N/A LYS 234.A NZ GLN 237.A OE1 no hydrogen 2.957 N/A LEU 235.A N ARG 231.A O no hydrogen 2.696 N/A LEU 236.A N PRO 232.A O no hydrogen 3.253 N/A GLN 237.A N VAL 233.A O no hydrogen 2.964 N/A GLN 237.A NE2 HIS 195.A O no hydrogen 3.088 N/A CYS 238.A N LYS 234.A O no hydrogen 2.843 N/A CYS 238.A SG LYS 234.A O no hydrogen 3.376 N/A VAL 239.A N LEU 236.A O no hydrogen 3.206 N/A ASP 240.A N GLN 237.A O no hydrogen 3.173 N/A HIS 241.A N CYS 238.A O no hydrogen 2.818 N/A HIS 244.A N HIS 241.A O no hydrogen 3.217 N/A CYS 247.A N HIS 244.A O no hydrogen 2.901 N/A