Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5tkd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N VAL 69.A O no hydrogen 2.826 N/A LYS 7.A N ASP 5.A OD1 no hydrogen 2.997 N/A GLU 8.A N ASP 5.A O no hydrogen 3.001 N/A ILE 9.A N GLN 6.A O no hydrogen 3.383 N/A THR 10.A N ARG 27.A O no hydrogen 2.958 N/A LEU 12.A N GLU 25.A O no hydrogen 2.799 N/A HIS 14.A NE2 ASN 22.A OD1 no hydrogen 2.925 N/A LEU 15.A N VAL 23.A O no hydrogen 2.704 N/A GLY 16.A N VAL 23.A O no hydrogen 3.285 N/A GLN 17.A NE2 ASN 22.A OD1 no hydrogen 2.970 N/A GLY 18.A N THR 21.A O no hydrogen 3.066 N/A ARG 20.A NE GLU 164.A OE1 no hydrogen 3.379 N/A ARG 20.A NE GLU 164.A OE2 no hydrogen 2.774 N/A ARG 20.A NH2 GLU 164.A OE1 no hydrogen 2.767 N/A THR 21.A N GLY 18.A O no hydrogen 3.366 N/A ASN 22.A N VAL 36.A O no hydrogen 3.032 N/A VAL 23.A N GLY 16.A O no hydrogen 2.794 N/A TYR 24.A N LEU 34.A O no hydrogen 2.916 N/A GLU 25.A N SER 13.A O no hydrogen 2.876 N/A GLY 26.A N VAL 32.A O no hydrogen 2.857 N/A ARG 27.A N THR 10.A O no hydrogen 3.029 N/A ARG 27.A NH1 GLU 25.A OE2 no hydrogen 3.254 N/A ARG 27.A NH1 GLY 26.A O no hydrogen 3.023 N/A ARG 27.A NH2 GLU 25.A OE2 no hydrogen 3.468 N/A LEU 28.A N LEU 30.A O no hydrogen 2.878 N/A ARG 29.A N GLU 8.A O no hydrogen 2.847 N/A VAL 32.A N GLY 26.A O no hydrogen 2.923 N/A VAL 33.A N THR 80.A O no hydrogen 2.969 N/A LEU 34.A N TYR 24.A O no hydrogen 2.819 N/A LYS 35.A N MET 78.A O no hydrogen 2.831 N/A LYS 35.A NZ ASP 152.A OD1 no hydrogen 2.684 N/A VAL 36.A N ASN 22.A O no hydrogen 2.805 N/A LEU 37.A N ASN 76.A O no hydrogen 2.783 N/A ASP 38.A N ARG 20.A O no hydrogen 2.794 N/A SER 40.A OG ASP 38.A O no hydrogen 2.557 N/A ASP 43.A N HIS 41.A ND1 no hydrogen 2.903 N/A ILE 44.A N HIS 41.A O no hydrogen 3.037 N/A ALA 45.A N HIS 41.A O no hydrogen 3.125 N/A LEU 46.A N HIS 42.A O no hydrogen 2.841 N/A ALA 47.A N ASP 43.A O no hydrogen 3.135 N/A PHE 48.A N ILE 44.A O no hydrogen 2.922 N/A TYR 49.A N ALA 45.A O no hydrogen 2.783 N/A TYR 49.A OH ASN 76.A OD1 no hydrogen 2.633 N/A GLU 50.A N LEU 46.A O no hydrogen 2.839 N/A THR 51.A N ALA 47.A O no hydrogen 3.265 N/A THR 51.A OG1 ALA 47.A O no hydrogen 3.376 N/A THR 51.A OG1 GLY 154.A O no hydrogen 2.632 N/A ALA 52.A N PHE 48.A O no hydrogen 3.057 N/A SER 53.A N TYR 49.A O no hydrogen 2.877 N/A LEU 54.A N GLU 50.A O no hydrogen 2.867 N/A MET 55.A N THR 51.A O no hydrogen 2.955 N/A SER 56.A N ALA 52.A O no hydrogen 2.988 N/A SER 56.A OG ALA 52.A O no hydrogen 2.692 N/A GLN 57.A N SER 53.A O no hydrogen 3.217 N/A GLN 57.A N LEU 54.A O no hydrogen 3.353 N/A SER 59.A N TYR 117.A OH no hydrogen 2.979 N/A HIS 62.A N HIS 60.A ND1 no hydrogen 2.942 N/A HIS 62.A ND1 ILE 148.A O no hydrogen 2.771 N/A LEU 63.A N HIS 60.A O no hydrogen 3.021 N/A ALA 64.A N LEU 150.A O no hydrogen 2.841 N/A PHE 65.A N GLU 81.A OE1 no hydrogen 2.855 N/A HIS 67.A N VAL 79.A O no hydrogen 2.759 N/A GLY 68.A N VAL 79.A O no hydrogen 3.319 N/A VAL 69.A N HIS 2.A O no hydrogen 2.942 N/A CYS 70.A N ILE 77.A O no hydrogen 2.851 N/A ARG 72.A N GLU 75.A O no hydrogen 2.794 N/A ARG 72.A NE GLU 75.A OE2 no hydrogen 3.193 N/A ARG 72.A NH1 GLN 11.A OE1 no hydrogen 2.860 N/A ARG 72.A NH1 GLU 75.A OE2 no hydrogen 2.838 N/A ARG 72.A NH2 GLN 11.A OE1 no hydrogen 3.229 N/A GLU 75.A N ARG 72.A O no hydrogen 2.948 N/A ILE 77.A N CYS 70.A O no hydrogen 2.743 N/A MET 78.A N LYS 35.A O no hydrogen 2.891 N/A VAL 79.A N GLY 68.A O no hydrogen 2.795 N/A THR 80.A N VAL 33.A O no hydrogen 2.937 N/A GLU 81.A N PHE 65.A O no hydrogen 2.886 N/A HIS 85.A N LEU 135.A O no hydrogen 2.827 N/A GLY 86.A N VAL 83.A O no hydrogen 3.191 N/A LEU 88.A N ILE 133.A O no hydrogen 2.720 N/A ASP 89.A N GLY 130.A O no hydrogen 3.435 N/A TRP 91.A N PRO 87.A O no hydrogen 3.321 N/A LEU 92.A N LEU 88.A O no hydrogen 2.800 N/A ARG 93.A N ASP 89.A O no hydrogen 3.117 N/A ARG 93.A NE GLY 198.A O no hydrogen 3.025 N/A ARG 93.A NH1 ASP 89.A OD2 no hydrogen 3.300 N/A ARG 93.A NH2 ASP 89.A OD2 no hydrogen 2.722 N/A ARG 93.A NH2 GLY 198.A O no hydrogen 3.499 N/A ARG 94.A N VAL 90.A O no hydrogen 3.122 N/A GLU 95.A N TRP 91.A O no hydrogen 2.933 N/A ARG 96.A N ARG 93.A O no hydrogen 3.415 N/A GLY 97.A N ASP 197.A OD2 no hydrogen 2.848 N/A HIS 98.A N GLU 95.A O no hydrogen 3.016 N/A TRP 103.A NE1 LEU 138.A O no hydrogen 2.616 N/A LYS 104.A N PRO 100.A O no hydrogen 3.276 N/A LYS 104.A NZ ILE 194.A O no hydrogen 3.238 N/A LYS 104.A NZ CYS 195.A O no hydrogen 3.108 N/A LYS 104.A NZ ASP 197.A OD1 no hydrogen 2.719 N/A MET 105.A N MET 101.A O no hydrogen 2.966 N/A VAL 106.A N ALA 102.A O no hydrogen 3.185 N/A VAL 107.A N TRP 103.A O no hydrogen 3.264 N/A ALA 108.A N LYS 104.A O no hydrogen 2.978 N/A GLN 109.A N MET 105.A O no hydrogen 3.094 N/A GLN 110.A N VAL 106.A O no hydrogen 2.992 N/A GLN 110.A NE2 PRO 146.A O no hydrogen 2.871 N/A LEU 111.A N VAL 107.A O no hydrogen 2.888 N/A ALA 112.A N ALA 108.A O no hydrogen 2.855 N/A SER 113.A N GLN 109.A O no hydrogen 2.912 N/A SER 113.A OG GLN 110.A O no hydrogen 2.884 N/A ALA 114.A N GLN 110.A O no hydrogen 3.158 N/A LEU 115.A N LEU 111.A O no hydrogen 3.041 N/A SER 116.A N ALA 112.A O no hydrogen 2.827 N/A TYR 117.A N SER 113.A O no hydrogen 3.137 N/A LEU 118.A N ALA 114.A O no hydrogen 3.158 N/A GLU 119.A N LEU 115.A O no hydrogen 2.889 N/A ASN 120.A N SER 116.A O no hydrogen 2.922 N/A LYS 121.A N LEU 118.A O no hydrogen 3.053 N/A ASN 122.A N GLU 119.A O no hydrogen 2.935 N/A LEU 123.A N LEU 118.A O no hydrogen 2.947 N/A HIS 125.A N ASP 183.A OD2 no hydrogen 2.797 N/A HIS 125.A NE2 SER 151.A O no hydrogen 2.777 N/A GLY 126.A N ASP 183.A OD1 no hydrogen 2.785 N/A ASN 127.A N HIS 125.A ND1 no hydrogen 3.064 N/A ASN 127.A ND2 PRO 153.A O no hydrogen 2.959 N/A CYS 129.A SG ASN 127.A O no hydrogen 3.800 N/A GLY 130.A N GLU 193.A OE1 no hydrogen 2.753 N/A ARG 131.A NE ASP 89.A OD1 no hydrogen 2.989 N/A ARG 131.A NE ASP 89.A OD2 no hydrogen 3.240 N/A ARG 131.A NH1 ASP 89.A OD2 no hydrogen 2.840 N/A ASN 132.A N CYS 129.A O no hydrogen 2.979 N/A ASN 132.A ND2 ASN 127.A O no hydrogen 2.776 N/A ILE 133.A N GLY 130.A O no hydrogen 3.154 N/A LEU 134.A N LYS 149.A O no hydrogen 2.830 N/A LEU 135.A N GLY 86.A O no hydrogen 2.871 N/A ALA 136.A N PHE 147.A O no hydrogen 2.852 N/A ARG 137.A N PHE 147.A O no hydrogen 3.246 N/A ARG 137.A NH1 ALA 136.A O no hydrogen 2.949 N/A THR 144.A N ALA 141.A O no hydrogen 3.165 N/A THR 144.A OG1 ALA 141.A O no hydrogen 2.676 N/A PHE 147.A N ARG 137.A O no hydrogen 3.033 N/A ILE 148.A N GLN 110.A OE1 no hydrogen 2.845 N/A LYS 149.A N LEU 134.A O no hydrogen 2.858 N/A LYS 149.A NZ THR 61.A O no hydrogen 3.095 N/A LEU 150.A N HIS 62.A O no hydrogen 2.784 N/A SER 151.A N ASN 132.A O no hydrogen 2.732 N/A SER 151.A OG ASP 152.A O no hydrogen 3.031 N/A SER 151.A OG ASP 152.A OD1 no hydrogen 3.518 N/A GLY 154.A N ASP 152.A OD2 no hydrogen 2.816 N/A ALA 159.A N GLY 156.A O no hydrogen 3.047 N/A LEU 160.A N LEU 157.A O no hydrogen 3.178 N/A SER 161.A N GLU 164.A OE1 no hydrogen 2.935 N/A SER 161.A OG GLU 164.A OE1 no hydrogen 3.119 N/A ARG 162.A NE GLU 209.A OE2 no hydrogen 2.887 N/A ARG 162.A NH2 GLU 209.A OE2 no hydrogen 2.773 N/A GLU 164.A N SER 161.A OG no hydrogen 3.282 N/A ARG 165.A N SER 161.A O no hydrogen 3.019 N/A ARG 165.A NE LEU 177.A O no hydrogen 3.196 N/A ARG 165.A NH1 LEU 177.A O no hydrogen 2.947 N/A VAL 166.A N ARG 162.A O no hydrogen 2.895 N/A GLU 167.A N GLU 163.A O no hydrogen 3.049 N/A ARG 168.A N ARG 165.A O no hydrogen 3.014 N/A ARG 168.A NH2 THR 19.A OG1 no hydrogen 3.205 N/A ILE 169.A N VAL 166.A O no hydrogen 3.066 N/A TRP 171.A NE1 GLU 193.A OE1 no hydrogen 2.859 N/A LEU 172.A N ARG 168.A O no hydrogen 2.949 N/A GLU 175.A N GLU 175.A OE1 no hydrogen 2.786 N/A CYS 176.A N ALA 173.A O no hydrogen 2.984 N/A LEU 177.A N PRO 174.A O no hydrogen 3.095 N/A ALA 181.A N SER 179.A OG no hydrogen 3.208 N/A MET 182.A N SER 179.A O no hydrogen 3.145 N/A ASP 183.A N THR 180.A O no hydrogen 3.163 N/A LYS 184.A N ALA 181.A O no hydrogen 3.172 N/A TRP 185.A NE1 PRO 170.A O no hydrogen 2.785 N/A GLY 186.A N MET 182.A O no hydrogen 3.104 N/A PHE 187.A N ASP 183.A O no hydrogen 2.844 N/A GLY 188.A N LYS 184.A O no hydrogen 3.056 N/A ALA 189.A N TRP 185.A O no hydrogen 2.907 N/A THR 190.A N GLY 186.A O no hydrogen 2.940 N/A THR 190.A OG1 GLY 186.A O no hydrogen 2.764 N/A LEU 191.A N PHE 187.A O no hydrogen 2.927 N/A LEU 192.A N GLY 188.A O no hydrogen 3.138 N/A GLU 193.A N ALA 189.A O no hydrogen 3.008 N/A ILE 194.A N THR 190.A O no hydrogen 2.850 N/A CYS 195.A N LEU 191.A O no hydrogen 2.926 N/A CYS 195.A SG.A LEU 191.A O no hydrogen 3.095 N/A PHE 196.A N LEU 192.A O no hydrogen 2.826 N/A ASP 197.A N ILE 194.A O no hydrogen 3.033 N/A GLY 198.A N GLU 193.A O no hydrogen 2.760 N/A GLU 199.A N PHE 196.A O no hydrogen 3.162 N/A SER 206.A OG HIS 210.A NE2 no hydrogen 3.251 N/A GLU 207.A N SER 204.A OG no hydrogen 3.206 N/A LYS 208.A N SER 204.A O no hydrogen 3.115 N/A LYS 208.A NZ GLU 167.A O no hydrogen 3.558 N/A GLU 209.A N PRO 205.A O no hydrogen 2.960 N/A HIS 210.A N SER 206.A O no hydrogen 2.898 N/A PHE 211.A N GLU 207.A O no hydrogen 2.955 N/A TYR 212.A N LYS 208.A O no hydrogen 3.419 N/A TYR 212.A OH LEU 172.A O no hydrogen 2.605 N/A GLN 213.A N GLU 209.A O no hydrogen 2.964 N/A ARG 214.A N HIS 210.A O no hydrogen 2.846 N/A GLN 215.A N TYR 212.A O no hydrogen 2.952 N/A HIS 216.A N PHE 211.A O no hydrogen 3.008 N/A ARG 217.A NE LEU 231.A O no hydrogen 3.447 N/A ARG 217.A NH2 SER 228.A O no hydrogen 2.646 N/A ARG 217.A NH2 LEU 231.A O no hydrogen 2.910 N/A THR 227.A N LEU 223.A O no hydrogen 2.979 N/A THR 227.A OG1 LEU 223.A O no hydrogen 3.076 N/A THR 227.A OG1 ALA 224.A O no hydrogen 3.220 N/A SER 228.A N ALA 224.A O no hydrogen 3.057 N/A GLN 229.A N THR 225.A O no hydrogen 2.955 N/A CYS 230.A N LEU 226.A O no hydrogen 2.944 N/A CYS 230.A SG LEU 226.A O no hydrogen 3.491 N/A LEU 231.A N THR 227.A O no hydrogen 2.805 N/A TYR 233.A OH HIS 216.A O no hydrogen 2.646 N/A GLU 234.A N THR 232.A OG1 no hydrogen 3.387 N/A GLN 237.A N GLU 234.A O no hydrogen 3.185 N/A ARG 238.A N PRO 235.A O no hydrogen 3.208 N/A ARG 238.A NE THR 232.A O no hydrogen 2.946 N/A ARG 238.A NH1 GLU 175.A OE2 no hydrogen 2.722 N/A ARG 238.A NH1 ALA 181.A O no hydrogen 2.999 N/A ARG 238.A NH2 GLU 175.A OE1 no hydrogen 2.796 N/A ARG 238.A NH2 GLU 175.A OE2 no hydrogen 3.480 N/A ARG 238.A NH2 THR 232.A O no hydrogen 3.014 N/A SER 240.A OG THR 243.A OG1 no hydrogen 3.167 N/A PHE 241.A N GLU 119.A OE2 no hydrogen 2.890 N/A THR 243.A N SER 240.A OG no hydrogen 3.335 N/A THR 243.A OG1 SER 240.A OG no hydrogen 3.167 N/A ILE 244.A N SER 240.A O no hydrogen 2.897 N/A LEU 245.A N PHE 241.A O no hydrogen 2.830 N/A ARG 246.A N ARG 242.A O no hydrogen 3.221 N/A ASP 247.A N THR 243.A O no hydrogen 2.836 N/A LEU 248.A N ILE 244.A O no hydrogen 2.880 N/A