Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8xkg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A ND1 ASP 103.A OD1 no hydrogen 2.961 N/A HIS 2.A ND1 ASP 103.A OD2 no hydrogen 3.136 N/A HIS 4.A NE2 HIS 1.A O no hydrogen 3.056 N/A THR 7.A OG1 HIS 5.A O no hydrogen 2.904 N/A TRP 10.A N TRP 105.A O no hydrogen 2.825 N/A TRP 10.A NE1 ASP 104.A OD2 no hydrogen 3.170 N/A ALA 11.A N GLY 53.A O no hydrogen 3.194 N/A VAL 12.A N LEU 107.A O no hydrogen 2.759 N/A ILE 13.A N VAL 55.A O no hydrogen 2.897 N/A ALA 15.A N ALA 57.A O no hydrogen 3.008 N/A GLY 17.A N GLY 82.A O no hydrogen 3.069 N/A SER 20.A N SER 18.A OG no hydrogen 3.184 N/A ARG 21.A NH1 THR 63.A OG1 no hydrogen 2.960 N/A PHE 22.A N SER 20.A OG no hydrogen 3.065 N/A SER 23.A N SER 20.A O no hydrogen 3.446 N/A SER 23.A OG THR 25.A O no hydrogen 3.224 N/A THR 25.A N SER 23.A OG no hydrogen 3.228 N/A LEU 27.A N GLU 26.A OE1 no hydrogen 2.865 N/A GLN 29.A N GLN 29.A OE1 no hydrogen 2.793 N/A TYR 30.A N LEU 27.A O no hydrogen 3.108 N/A TYR 30.A OH ASP 62.A OD2 no hydrogen 2.420 N/A GLN 31.A N LYS 28.A O no hydrogen 3.202 N/A ILE 33.A N ALA 36.A O no hydrogen 3.037 N/A ALA 36.A N ILE 33.A O no hydrogen 3.415 N/A THR 37.A N GLU 40.A OE1 no hydrogen 2.927 N/A THR 37.A OG1 GLU 40.A OE1 no hydrogen 2.636 N/A VAL 38.A N GLN 31.A O no hydrogen 2.826 N/A ILE 39.A N GLN 29.A O no hydrogen 2.920 N/A GLU 40.A N THR 37.A OG1 no hydrogen 3.353 N/A HIS 41.A N THR 37.A O no hydrogen 3.111 N/A HIS 41.A NE2 ILE 33.A O no hydrogen 2.806 N/A THR 42.A N VAL 38.A O no hydrogen 2.847 N/A THR 42.A OG1 VAL 38.A O no hydrogen 3.148 N/A THR 42.A OG1 ALA 111.A O no hydrogen 2.748 N/A VAL 43.A N ILE 39.A O no hydrogen 2.864 N/A LYS 44.A N GLU 40.A O no hydrogen 2.917 N/A LYS 44.A NZ GLN 71.A OE1 no hydrogen 3.309 N/A ARG 45.A N HIS 41.A O no hydrogen 2.932 N/A ARG 45.A NH1 VAL 116.A O no hydrogen 2.753 N/A ARG 45.A NH1 GLN 233.A OE1 no hydrogen 2.887 N/A ARG 45.A NH2 GLN 233.A OE1 no hydrogen 2.956 N/A LEU 46.A N THR 42.A O no hydrogen 2.927 N/A SER 47.A N VAL 43.A O no hydrogen 2.862 N/A SER 47.A OG VAL 43.A O no hydrogen 2.727 N/A GLN 48.A N ARG 45.A O no hydrogen 3.112 N/A LEU 49.A N LEU 46.A O no hydrogen 3.006 N/A LEU 51.A N LEU 49.A O no hydrogen 2.854 N/A THR 52.A N LEU 9.A O no hydrogen 2.816 N/A TYR 54.A N LYS 75.A O no hydrogen 2.986 N/A TYR 54.A OH GLN 71.A O no hydrogen 2.662 N/A TYR 54.A OH ASP 72.A O no hydrogen 3.401 N/A VAL 55.A N ALA 11.A O no hydrogen 2.788 N/A LEU 56.A N HIS 77.A O no hydrogen 2.795 N/A ALA 57.A N ILE 13.A O no hydrogen 3.088 N/A ILE 58.A N CYS 79.A O no hydrogen 2.922 N/A GLN 61.A N SER 18.A O no hydrogen 2.957 N/A ASP 62.A N GLY 59.A O no hydrogen 2.911 N/A PHE 64.A N ASP 62.A OD1 no hydrogen 2.901 N/A ALA 65.A N ASP 62.A OD1 no hydrogen 3.233 N/A THR 67.A N PHE 64.A O no hydrogen 3.075 N/A THR 67.A OG1 PHE 64.A O no hydrogen 2.582 N/A LEU 68.A N ALA 65.A O no hydrogen 3.165 N/A PHE 70.A N LEU 68.A O no hydrogen 3.009 N/A GLN 71.A NE2 ASP 72.A OD1 no hydrogen 3.150 N/A LYS 73.A NZ SER 66.A O no hydrogen 2.822 N/A LYS 73.A NZ LEU 68.A O no hydrogen 2.993 N/A LYS 75.A N ASP 72.A O no hydrogen 2.763 N/A LYS 75.A NZ LEU 51.A O no hydrogen 2.801 N/A ALA 76.A N LYS 73.A O no hydrogen 2.845 N/A HIS 77.A N TYR 54.A O no hydrogen 2.760 N/A HIS 77.A ND1 TYR 95.A OH no hydrogen 2.934 N/A CYS 79.A N LEU 56.A O no hydrogen 3.071 N/A CYS 79.A SG ASN 80.A O no hydrogen 3.821 N/A GLY 81.A N ILE 58.A O no hydrogen 2.726 N/A GLY 82.A N SER 88.A OG no hydrogen 2.710 N/A GLU 84.A N HIS 87.A ND1 no hydrogen 3.364 N/A ARG 85.A NH1 GLU 194.A OE2 no hydrogen 3.272 N/A ARG 85.A NH2 ASP 110.A OD1 no hydrogen 2.874 N/A SER 88.A N GLU 84.A O no hydrogen 3.172 N/A SER 88.A OG ALA 15.A O no hydrogen 2.437 N/A VAL 89.A N ARG 85.A O no hydrogen 2.915 N/A LEU 90.A N VAL 86.A O no hydrogen 2.921 N/A ASN 91.A N HIS 87.A O no hydrogen 2.908 N/A ASN 91.A ND2 ASN 80.A O no hydrogen 2.937 N/A ALA 92.A N SER 88.A O no hydrogen 2.991 N/A LEU 93.A N VAL 89.A O no hydrogen 2.855 N/A ASN 94.A N LEU 90.A O no hydrogen 2.845 N/A TYR 95.A N ASN 91.A O no hydrogen 2.850 N/A TYR 95.A OH HIS 77.A ND1 no hydrogen 2.934 N/A LEU 96.A N ALA 92.A O no hydrogen 2.784 N/A SER 97.A N LEU 93.A O no hydrogen 2.891 N/A SER 97.A OG LEU 93.A O no hydrogen 2.752 N/A GLN 98.A N TYR 95.A O no hydrogen 3.119 N/A ILE 99.A N LEU 96.A O no hydrogen 3.010 N/A ASP 101.A N ASP 104.A OD2 no hydrogen 3.209 N/A ASP 103.A N ASP 101.A OD2 no hydrogen 3.161 N/A ASP 104.A N ASP 101.A O no hydrogen 3.008 N/A TRP 105.A N LYS 8.A O no hydrogen 3.039 N/A VAL 106.A N ALA 172.A O no hydrogen 2.816 N/A LEU 107.A N TRP 10.A O no hydrogen 2.720 N/A VAL 108.A N GLN 170.A O no hydrogen 2.938 N/A HIS 109.A N VAL 12.A O no hydrogen 2.926 N/A HIS 109.A NE2 ARG 113.A O no hydrogen 2.643 N/A ASP 110.A N THR 168.A OG1 no hydrogen 3.069 N/A ARG 113.A N ASP 110.A O no hydrogen 3.208 N/A ARG 113.A NE ASP 110.A OD2 no hydrogen 2.971 N/A ARG 113.A NH1 ASN 214.A O no hydrogen 2.853 N/A CYS 115.A SG ALA 226.A O no hydrogen 3.921 N/A GLU 119.A N GLU 119.A OE1 no hydrogen 2.731 N/A CYS 120.A N THR 117.A OG1 no hydrogen 3.071 N/A CYS 120.A SG THR 117.A OG1 no hydrogen 3.239 N/A CYS 120.A SG MET 209.A O no hydrogen 3.947 N/A LEU 121.A N THR 117.A O no hydrogen 2.865 N/A ASN 122.A N PHE 118.A O no hydrogen 2.810 N/A THR 123.A N GLU 119.A O no hydrogen 2.969 N/A THR 123.A OG1 GLU 119.A O no hydrogen 2.984 N/A LEU 124.A N CYS 120.A O no hydrogen 2.957 N/A VAL 125.A N LEU 121.A O no hydrogen 2.963 N/A LYS 126.A N ASN 122.A O no hydrogen 2.931 N/A ASN 127.A N THR 123.A O no hydrogen 2.849 N/A ALA 128.A N LEU 124.A O no hydrogen 2.993 N/A ILE 129.A N VAL 125.A O no hydrogen 2.894 N/A GLU 130.A N LYS 126.A O no hydrogen 2.945 N/A THR 131.A N ASN 127.A O no hydrogen 2.962 N/A THR 131.A OG1 ASN 127.A O no hydrogen 2.743 N/A THR 131.A OG1 ALA 128.A O no hydrogen 3.493 N/A ASN 132.A N ILE 129.A O no hydrogen 3.359 N/A GLN 133.A N ALA 128.A O no hydrogen 3.223 N/A ALA 135.A N ILE 171.A O no hydrogen 3.027 N/A ILE 136.A N GLN 206.A O no hydrogen 2.969 N/A LEU 137.A N PRO 169.A O no hydrogen 3.262 N/A ALA 138.A N VAL 208.A O no hydrogen 2.970 N/A ILE 139.A N GLN 165.A O no hydrogen 3.069 N/A VAL 141.A N LEU 163.A O no hydrogen 3.035 N/A LYS 146.A NZ THR 157.A OG1 no hydrogen 2.791 N/A GLN 147.A N LYS 156.A O no hydrogen 2.919 N/A ASN 149.A N GLN 153.A O no hydrogen 2.860 N/A ASN 149.A ND2 ASP 155.A OD1 no hydrogen 3.375 N/A GLU 151.A N ASN 149.A OD1 no hydrogen 2.879 N/A GLN 152.A N ASN 149.A O no hydrogen 2.717 N/A GLN 153.A N ASN 149.A OD1 no hydrogen 2.963 N/A GLN 153.A NE2 GLU 151.A O no hydrogen 3.082 N/A ASP 155.A N GLN 147.A O no hydrogen 2.631 N/A VAL 158.A N LEU 145.A O no hydrogen 2.877 N/A ARG 160.A NH1 VAL 141.A O no hydrogen 2.988 N/A GLU 161.A N SER 159.A OG no hydrogen 3.206 N/A LEU 163.A N ARG 160.A O no hydrogen 3.063 N/A GLN 165.A N ILE 139.A O no hydrogen 2.730 N/A GLN 167.A N LEU 137.A O no hydrogen 2.781 N/A GLN 167.A NE2 ARG 211.A O no hydrogen 2.916 N/A THR 168.A OG1 HIS 109.A ND1 no hydrogen 2.712 N/A GLN 170.A N VAL 108.A O no hydrogen 3.012 N/A GLN 170.A NE2 GLN 167.A O no hydrogen 3.182 N/A GLN 170.A NE2 ASP 193.A OD2 no hydrogen 2.939 N/A ILE 171.A N ALA 135.A O no hydrogen 2.817 N/A ALA 172.A N VAL 106.A O no hydrogen 3.160 N/A LYS 173.A NZ HIS 2.A O no hydrogen 2.443 N/A LYS 173.A NZ ASN 132.A OD1 no hydrogen 2.651 N/A ILE 174.A N ASP 104.A O no hydrogen 2.912 N/A GLY 175.A N GLU 102.A O no hydrogen 2.880 N/A LEU 177.A N LYS 173.A O no hydrogen 2.945 N/A LYS 178.A N ILE 174.A O no hydrogen 2.898 N/A LYS 178.A NZ ASN 94.A OD1 no hydrogen 2.820 N/A LYS 178.A NZ GLU 182.A OE2 no hydrogen 2.649 N/A LYS 179.A N GLY 175.A O no hydrogen 3.019 N/A ALA 180.A N ILE 176.A O no hydrogen 2.897 N/A ILE 181.A N LEU 177.A O no hydrogen 2.933 N/A GLU 182.A N LYS 178.A O no hydrogen 3.036 N/A THR 183.A N LYS 179.A O no hydrogen 2.943 N/A THR 183.A OG1 LYS 179.A O no hydrogen 2.882 N/A ALA 184.A N ALA 180.A O no hydrogen 2.916 N/A LEU 185.A N ILE 181.A O no hydrogen 2.927 N/A LYS 186.A N GLU 182.A O no hydrogen 3.043 N/A ASN 187.A N THR 183.A O no hydrogen 2.944 N/A ASN 187.A ND2 THR 183.A O no hydrogen 2.815 N/A ASN 188.A N LEU 185.A O no hydrogen 3.109 N/A LEU 189.A N ALA 184.A O no hydrogen 3.052 N/A THR 192.A N SER 196.A OG no hydrogen 3.222 N/A ALA 195.A N GLN 170.A OE1 no hydrogen 2.849 N/A SER 196.A N ASP 193.A OD1 no hydrogen 2.839 N/A SER 196.A OG ASP 193.A O no hydrogen 2.779 N/A SER 196.A OG ASP 193.A OD1 no hydrogen 3.519 N/A LEU 198.A N GLU 194.A O no hydrogen 2.949 N/A GLU 199.A N ALA 195.A O no hydrogen 2.748 N/A SER 200.A N SER 196.A O no hydrogen 3.175 N/A SER 200.A OG ALA 197.A O no hydrogen 2.689 N/A ILE 201.A N LEU 198.A O no hydrogen 3.249 N/A GLY 202.A N GLU 199.A O no hydrogen 3.044 N/A GLU 203.A N LEU 198.A O no hydrogen 3.054 N/A GLN 206.A N SER 134.A O no hydrogen 2.927 N/A VAL 208.A N ILE 136.A O no hydrogen 2.751 N/A GLY 210.A N ALA 138.A O no hydrogen 2.699 N/A ARG 211.A N GLN 167.A OE1 no hydrogen 3.330 N/A ARG 211.A NE ASP 213.A OD1 no hydrogen 2.772 N/A ARG 211.A NE ASP 213.A OD2 no hydrogen 3.422 N/A ARG 211.A NH2 ASP 213.A OD2 no hydrogen 3.028 N/A ASN 214.A N ARG 211.A O no hydrogen 3.214 N/A ASN 214.A ND2 GLN 167.A OE1 no hydrogen 3.167 N/A ASN 214.A ND2 THR 168.A O no hydrogen 3.142 N/A LYS 216.A NZ ASP 110.A OD2 no hydrogen 3.287 N/A ILE 217.A N ALA 112.A O no hydrogen 2.870 N/A THR 218.A N ASP 222.A OD2 no hydrogen 2.918 N/A THR 218.A OG1 LYS 216.A O no hydrogen 2.786 N/A TYR 219.A N ASP 222.A OD2 no hydrogen 2.794 N/A ASP 222.A N TYR 219.A O no hydrogen 3.005 N/A LEU 225.A N ASP 221.A O no hydrogen 3.219 N/A ALA 226.A N ASP 222.A O no hydrogen 2.869 N/A ARG 227.A N LEU 223.A O no hydrogen 2.993 N/A ARG 227.A NE GLU 224.A OE1 no hydrogen 3.044 N/A ARG 227.A NE GLU 224.A OE2 no hydrogen 3.155 N/A ARG 227.A NH2 GLU 224.A OE2 no hydrogen 2.624 N/A LEU 228.A N GLU 224.A O no hydrogen 2.964 N/A ILE 229.A N LEU 225.A O no hydrogen 2.834 N/A LEU 230.A N ALA 226.A O no hydrogen 2.843 N/A GLN 231.A N ARG 227.A O no hydrogen 3.020 N/A SER 232.A N LEU 228.A O no hydrogen 2.988 N/A SER 232.A OG ILE 229.A O no hydrogen 2.658 N/A GLN 233.A N LEU 230.A O no hydrogen 3.075 N/A GLN 233.A NE2 CYS 115.A O no hydrogen 2.976 N/A