Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3tk8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N ASN 1.A O no hydrogen 2.834 N/A LEU 6.A N MET 2.A O no hydrogen 2.949 N/A GLN 7.A N SER 3.A O no hydrogen 2.866 N/A GLN 7.A NE2 ASP 11.A OD2 no hydrogen 2.986 N/A GLN 8.A N GLN 4.A O no hydrogen 3.091 N/A ILE 9.A N GLN 5.A O no hydrogen 3.278 N/A ILE 10.A N LEU 6.A O no hydrogen 3.132 N/A ASP 11.A N GLN 7.A O no hydrogen 2.845 N/A ASN 12.A N GLN 8.A O no hydrogen 3.134 N/A ALA 13.A N ILE 9.A O no hydrogen 2.873 N/A TRP 14.A N ILE 10.A O no hydrogen 2.843 N/A GLU 15.A N ASP 11.A O no hydrogen 3.149 N/A ASN 16.A N ASN 12.A O no hydrogen 2.987 N/A ARG 17.A N TRP 14.A O no hydrogen 3.146 N/A ARG 17.A NH1 TRP 14.A O no hydrogen 2.781 N/A GLU 19.A N ASN 16.A O no hydrogen 2.946 N/A LEU 20.A N ARG 17.A O no hydrogen 2.965 N/A SER 21.A N ALA 24.A O no hydrogen 3.001 N/A LYS 23.A N SER 21.A OG no hydrogen 3.275 N/A ALA 24.A N SER 21.A O no hydrogen 3.188 N/A ILE 29.A N SER 26.A OG no hydrogen 3.086 N/A ARG 30.A N SER 26.A O no hydrogen 3.011 N/A ARG 30.A NE.A ALA 25.A O no hydrogen 3.482 N/A ARG 30.A NE.B ALA 25.A O no hydrogen 2.963 N/A ARG 30.A NH1.A LEU 71.A O no hydrogen 3.204 N/A ARG 30.A NH2.A PRO 22.A O no hydrogen 2.882 N/A GLU 31.A N ALA 27.A O no hydrogen 2.936 N/A ALA 32.A N GLU 28.A O no hydrogen 2.969 N/A VAL 33.A N ILE 29.A O no hydrogen 2.962 N/A ALA 34.A N ARG 30.A O no hydrogen 3.005 N/A HIS 35.A N GLU 31.A O no hydrogen 2.961 N/A ALA 36.A N ALA 32.A O no hydrogen 2.945 N/A ILE 37.A N VAL 33.A O no hydrogen 2.980 N/A GLU 38.A N ALA 34.A O no hydrogen 2.907 N/A GLN 39.A N HIS 35.A O no hydrogen 2.892 N/A LEU 40.A N ALA 36.A O no hydrogen 2.957 N/A ASP 41.A N ILE 37.A O no hydrogen 2.859 N/A ARG 42.A N GLU 38.A O no hydrogen 3.047 N/A ARG 42.A NH1 GLN 39.A OE1 no hydrogen 2.677 N/A GLY 43.A N LEU 40.A O no hydrogen 3.065 N/A ALA 44.A N GLN 39.A O no hydrogen 2.886 N/A LEU 45.A N GLN 39.A O no hydrogen 3.262 N/A ARG 46.A NE ALA 48.A O no hydrogen 3.014 N/A ARG 46.A NE GLN 154.A OE1 no hydrogen 3.084 N/A ARG 46.A NH2 GLN 154.A OE1 no hydrogen 2.693 N/A GLU 49.A N THR 56.A O no hydrogen 2.995 N/A LYS 50.A NZ GLY 53.A O no hydrogen 3.404 N/A ILE 51.A N ALA 54.A O no hydrogen 2.784 N/A ALA 54.A N ILE 51.A O no hydrogen 3.134 N/A TRP 55.A NE1 GLU 182.A OE2 no hydrogen 2.839 N/A THR 56.A N GLU 49.A O no hydrogen 2.788 N/A THR 56.A OG1 ALA 54.A O no hydrogen 2.964 N/A HIS 58.A N VAL 47.A O no hydrogen 2.793 N/A HIS 58.A NE2 GLU 49.A OE1 no hydrogen 2.621 N/A LEU 61.A N HIS 58.A O no hydrogen 3.128 N/A LYS 62.A NZ VAL 170.A O no hydrogen 3.091 N/A LYS 62.A NZ LEU 171.A O no hydrogen 3.555 N/A LYS 62.A NZ PRO 173.A O no hydrogen 2.839 N/A LYS 62.A NZ LEU 174.A O no hydrogen 3.193 N/A LYS 62.A NZ ALA 176.A O no hydrogen 2.679 N/A LYS 63.A N GLN 59.A O no hydrogen 2.917 N/A ALA 64.A N TRP 60.A O no hydrogen 2.893 N/A VAL 65.A N LEU 61.A O no hydrogen 3.044 N/A LEU 66.A N LYS 62.A O no hydrogen 2.969 N/A LEU 67.A N LYS 63.A O no hydrogen 2.805 N/A SER 68.A N ALA 64.A O no hydrogen 2.879 N/A SER 68.A OG VAL 65.A O no hydrogen 2.611 N/A PHE 69.A N VAL 65.A O no hydrogen 3.326 N/A PHE 69.A N LEU 66.A O no hydrogen 3.153 N/A ARG 70.A N LEU 66.A O no hydrogen 3.258 N/A ARG 70.A NH1 LEU 20.A O no hydrogen 3.394 N/A LEU 71.A N LEU 67.A O no hydrogen 2.988 N/A GLU 72.A N PHE 69.A O no hydrogen 3.313 N/A ALA 75.A N ASP 87.A O no hydrogen 3.016 N/A MET 77.A N PHE 85.A O no hydrogen 2.819 N/A SER 83.A OG GLN 84.A O no hydrogen 3.538 N/A PHE 85.A N MET 77.A O no hydrogen 3.008 N/A ASP 87.A N ALA 75.A O no hydrogen 3.344 N/A LYS 88.A NZ PHE 69.A O no hydrogen 2.866 N/A LYS 88.A NZ GLU 72.A O no hydrogen 2.892 N/A LYS 92.A N ALA 114.A O no hydrogen 2.811 N/A LYS 92.A NZ ASP 41.A OD2 no hydrogen 2.835 N/A LYS 92.A NZ SER 118.A O no hydrogen 2.750 N/A PHE 93.A N SER 91.A OG no hydrogen 3.004 N/A ALA 94.A N SER 91.A O no hydrogen 3.169 N/A TYR 96.A N PHE 93.A O no hydrogen 3.167 N/A THR 97.A N ASP 100.A OD2 no hydrogen 3.001 N/A ASP 100.A N THR 97.A OG1 no hydrogen 3.029 N/A PHE 101.A N THR 97.A O no hydrogen 3.086 N/A ALA 102.A N ALA 98.A O no hydrogen 2.910 N/A ALA 103.A N GLU 99.A O no hydrogen 2.881 N/A GLY 104.A N ASP 100.A O no hydrogen 2.971 N/A GLY 105.A N PHE 101.A O no hydrogen 3.392 N/A ARG 107.A N VAL 124.A O no hydrogen 3.005 N/A VAL 109.A N LEU 126.A O no hydrogen 2.851 N/A ALA 112.A N VAL 109.A O no hydrogen 2.842 N/A ILE 113.A N SER 129.A O no hydrogen 3.192 N/A ARG 115.A N THR 131.A O no hydrogen 2.909 N/A ARG 115.A NH1 ASN 132.A OD1 no hydrogen 2.900 N/A ARG 115.A NH2 ASP 87.A OD2 no hydrogen 2.905 N/A ARG 116.A N PRO 90.A O no hydrogen 2.977 N/A GLY 117.A N ASP 41.A OD1 no hydrogen 2.769 N/A SER 118.A N ARG 115.A O no hydrogen 3.241 N/A SER 118.A OG ARG 115.A O no hydrogen 2.769 N/A PHE 119.A N ALA 135.A O no hydrogen 2.922 N/A ALA 121.A N VAL 137.A O no hydrogen 2.853 N/A ASN 123.A N GLY 105.A O no hydrogen 2.751 N/A VAL 124.A N ALA 121.A O no hydrogen 3.457 N/A VAL 125.A N THR 141.A O no hydrogen 3.064 N/A LEU 126.A N ARG 107.A O no hydrogen 2.914 N/A MET 127.A N VAL 143.A O no hydrogen 2.884 N/A SER 129.A OG MET 127.A O no hydrogen 2.658 N/A TYR 130.A N ALA 147.A O no hydrogen 3.102 N/A THR 131.A N ILE 113.A O no hydrogen 3.169 N/A ASN 132.A N VAL 149.A O no hydrogen 2.846 N/A ILE 133.A N ASN 132.A OD1 no hydrogen 2.764 N/A GLY 134.A N GLY 117.A O no hydrogen 2.787 N/A ALA 135.A N ASN 132.A O no hydrogen 3.345 N/A TYR 136.A N ALA 153.A O no hydrogen 2.946 N/A VAL 137.A N PHE 119.A O no hydrogen 2.904 N/A ASP 138.A N ILE 155.A O no hydrogen 3.003 N/A GLU 139.A N ASP 138.A OD2 no hydrogen 2.813 N/A GLY 140.A N LYS 122.A O no hydrogen 3.183 N/A THR 141.A N ASP 138.A O no hydrogen 3.393 N/A THR 141.A OG1 ASP 138.A O no hydrogen 3.171 N/A THR 141.A OG1 GLY 156.A O no hydrogen 2.671 N/A MET 142.A N VAL 159.A O no hydrogen 2.835 N/A VAL 143.A N VAL 125.A O no hydrogen 2.960 N/A ASP 144.A N LEU 161.A O no hydrogen 2.851 N/A TRP 146.A N PRO 128.A O no hydrogen 2.617 N/A ALA 147.A N ASP 144.A O no hydrogen 3.164 N/A THR 148.A N VAL 165.A O no hydrogen 2.814 N/A VAL 149.A N TYR 130.A O no hydrogen 2.735 N/A GLY 150.A N ILE 167.A O no hydrogen 2.796 N/A SER 151.A OG ILE 133.A O no hydrogen 2.867 N/A CYS 152.A N ILE 133.A O no hydrogen 3.159 N/A CYS 152.A SG SER 151.A OG no hydrogen 3.600 N/A ALA 153.A N GLY 150.A O no hydrogen 3.092 N/A GLN 154.A N VAL 179.A O no hydrogen 2.971 N/A GLN 154.A NE2 CYS 152.A O no hydrogen 3.071 N/A ILE 155.A N TYR 136.A O no hydrogen 2.744 N/A GLY 156.A N ILE 181.A O no hydrogen 2.786 N/A LYS 157.A N ASP 183.A OD1 no hydrogen 2.876 N/A LYS 157.A NZ ASP 138.A OD1 no hydrogen 2.880 N/A ASN 158.A N GLU 139.A O no hydrogen 2.877 N/A VAL 159.A N THR 141.A OG1 no hydrogen 3.070 N/A HIS 160.A N CYS 185.A O no hydrogen 2.935 N/A HIS 160.A NE2 ASP 144.A OD2 no hydrogen 2.547 N/A LEU 161.A N MET 142.A O no hydrogen 2.864 N/A SER 162.A N ILE 187.A O no hydrogen 3.018 N/A SER 162.A OG ILE 187.A O no hydrogen 2.809 N/A GLY 164.A N THR 145.A O no hydrogen 2.938 N/A VAL 165.A N SER 162.A O no hydrogen 3.193 N/A GLY 166.A N SER 191.A O no hydrogen 3.007 N/A ILE 167.A N THR 148.A O no hydrogen 2.909 N/A GLY 168.A N VAL 193.A O no hydrogen 2.719 N/A VAL 170.A N SER 151.A O no hydrogen 3.055 N/A ALA 176.A N PRO 173.A O no hydrogen 3.156 N/A ASN 177.A ND2 TRP 55.A O no hydrogen 3.587 N/A ILE 180.A N VAL 197.A O no hydrogen 3.354 N/A ILE 181.A N GLN 154.A O no hydrogen 2.909 N/A GLU 182.A N VAL 199.A O no hydrogen 2.919 N/A ASN 184.A N LYS 157.A O no hydrogen 2.830 N/A ASN 184.A ND2 ASN 202.A OD1 no hydrogen 3.109 N/A CYS 185.A SG GLU 182.A O no hydrogen 3.364 N/A CYS 185.A SG ASP 183.A O no hydrogen 4.003 N/A CYS 185.A SG VAL 199.A O no hydrogen 3.990 N/A CYS 185.A SG GLU 200.A O no hydrogen 3.173 N/A PHE 186.A N SER 203.A O no hydrogen 3.002 N/A ILE 187.A N HIS 160.A O no hydrogen 2.868 N/A GLY 188.A N ILE 205.A O no hydrogen 2.727 N/A ARG 190.A N GLY 163.A O no hydrogen 2.912 N/A SER 191.A N GLY 188.A O no hydrogen 3.370 N/A SER 191.A OG GLY 188.A O no hydrogen 3.271 N/A SER 191.A OG SER 206.A O no hydrogen 2.722 N/A GLU 192.A N VAL 209.A O no hydrogen 2.890 N/A VAL 193.A N GLY 166.A O no hydrogen 2.856 N/A VAL 194.A N LEU 211.A O no hydrogen 2.897 N/A VAL 197.A N VAL 194.A O no hydrogen 3.165 N/A ILE 198.A N GLY 228.A O no hydrogen 3.148 N/A VAL 199.A N ILE 180.A O no hydrogen 2.890 N/A GLU 200.A N ILE 230.A O no hydrogen 2.912 N/A GLU 201.A N GLU 182.A OE1 no hydrogen 2.934 N/A ASN 202.A N ASP 183.A O no hydrogen 3.037 N/A SER 203.A OG GLU 200.A O no hydrogen 2.861 N/A SER 203.A OG PRO 231.A O no hydrogen 3.285 N/A VAL 204.A N SER 234.A O no hydrogen 2.808 N/A ILE 205.A N PHE 186.A O no hydrogen 2.761 N/A SER 206.A N VAL 236.A O no hydrogen 2.869 N/A SER 206.A OG.B MET 207.A O no hydrogen 3.362 N/A SER 206.A OG.B VAL 236.A O no hydrogen 3.375 N/A MET 207.A N SER 206.A OG.A no hydrogen 2.702 N/A GLY 208.A N ALA 189.A O no hydrogen 3.085 N/A VAL 209.A N SER 191.A OG no hydrogen 2.887 N/A TYR 210.A N TYR 251.A OH no hydrogen 3.001 N/A LEU 211.A N GLU 192.A O no hydrogen 2.792 N/A GLY 212.A N THR 215.A OG1 no hydrogen 2.908 N/A GLN 213.A N GLU 195.A OE1 no hydrogen 2.752 N/A GLN 213.A NE2 GLU 195.A O no hydrogen 3.163 N/A THR 215.A N GLY 212.A O no hydrogen 3.167 N/A THR 215.A OG1 TYR 210.A O no hydrogen 3.080 N/A THR 215.A OG1 GLY 212.A O no hydrogen 3.508 N/A ILE 217.A N THR 226.A O no hydrogen 2.849 N/A TYR 218.A N ALA 253.A O no hydrogen 2.772 N/A ASP 219.A N GLU 224.A O no hydrogen 2.957 N/A ARG 220.A N ILE 255.A O no hydrogen 3.193 N/A ARG 220.A NH2 VAL 256.A O no hydrogen 2.780 N/A GLU 221.A N ASP 219.A OD1 no hydrogen 2.946 N/A THR 222.A N ASP 219.A OD1 no hydrogen 3.337 N/A GLY 223.A N ASP 219.A O no hydrogen 2.761 N/A GLU 224.A N THR 222.A OG1 no hydrogen 3.189 N/A THR 226.A N ILE 217.A O no hydrogen 2.922 N/A ARG 229.A NH1.A GLU 200.A OE2 no hydrogen 2.700 N/A ARG 229.A NH1.B GLU 200.A OE2 no hydrogen 2.695 N/A ILE 230.A N ILE 198.A O no hydrogen 2.909 N/A ALA 232.A N GLU 200.A OE1 no hydrogen 2.903 N/A GLY 233.A N GLU 201.A O no hydrogen 2.917 N/A SER 234.A N PRO 231.A O no hydrogen 3.207 N/A SER 234.A OG PRO 231.A O no hydrogen 2.680 N/A VAL 235.A N LYS 257.A O no hydrogen 2.806 N/A VAL 236.A N VAL 204.A O no hydrogen 2.857 N/A VAL 237.A N VAL 254.A O no hydrogen 2.945 N/A GLY 239.A N CYS 252.A O no hydrogen 2.943 N/A ASN 240.A ND2 GLY 239.A O no hydrogen 2.731 N/A LEU 241.A N LEU 250.A O no hydrogen 2.862 N/A ALA 243.A N HIS 248.A O no hydrogen 2.904 N/A GLY 246.A N ALA 243.A O no hydrogen 3.008 N/A THR 247.A N ASP 245.A OD1 no hydrogen 2.932 N/A THR 247.A OG1 ASP 245.A OD1 no hydrogen 2.597 N/A THR 247.A OG1 ASP 245.A OD2 no hydrogen 3.375 N/A THR 247.A OG1 HIS 248.A ND1 no hydrogen 2.768 N/A HIS 248.A ND1 THR 247.A OG1 no hydrogen 2.768 N/A SER 249.A OG ASN 240.A OD1 no hydrogen 2.647 N/A LEU 250.A N LEU 241.A O no hydrogen 2.929 N/A TYR 251.A OH GLY 208.A O no hydrogen 2.702 N/A CYS 252.A N GLY 239.A O no hydrogen 3.011 N/A CYS 252.A SG ALA 253.A O no hydrogen 3.851 N/A ALA 253.A N LYS 216.A O no hydrogen 2.955 N/A VAL 254.A N VAL 237.A O no hydrogen 2.820 N/A ILE 255.A N TYR 218.A O no hydrogen 2.859 N/A VAL 256.A N VAL 235.A O no hydrogen 2.843 N/A LYS 258.A NZ ASP 219.A OD1 no hydrogen 3.518 N/A LYS 258.A NZ ASP 219.A OD2 no hydrogen 2.909 N/A VAL 259.A N GLY 233.A O no hydrogen 2.775 N/A