Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8pkw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N THR 286.A O no hydrogen 2.918 N/A ILE 5.A N TYR 22.A O no hydrogen 2.956 N/A TYR 6.A N ALA 284.A O no hydrogen 2.827 N/A TYR 6.A OH MET 287.A O no hydrogen 2.698 N/A THR 7.A N GLU 20.A O no hydrogen 2.823 N/A ALA 8.A N GLY 282.A O no hydrogen 2.759 N/A GLY 9.A N TYR 18.A O no hydrogen 2.820 N/A GLY 10.A N ARG 39.A O no hydrogen 2.828 N/A TYR 11.A N SER 279.A O no hydrogen 2.718 N/A PHE 12.A N GLN 14.A O.A no hydrogen 3.048 N/A PHE 12.A N GLN 14.A O.B no hydrogen 2.922 N/A SER 15.A N ASN 59.A O no hydrogen 2.820 N/A SER 15.A OG SER 40.A OG no hydrogen 3.110 N/A SER 15.A OG ARG 57.A O no hydrogen 3.029 N/A LEU 16.A N GLY 10.A O no hydrogen 2.834 N/A GLU 20.A N THR 7.A O no hydrogen 3.060 N/A ALA 21.A N LEU 30.A O no hydrogen 2.905 N/A TYR 22.A N ILE 5.A O no hydrogen 2.794 N/A ASN 23.A N THR 28.A O no hydrogen 2.967 N/A SER 25.A N ASN 23.A OD1 no hydrogen 2.864 N/A ASP 26.A N ASN 23.A OD1 no hydrogen 3.122 N/A GLY 27.A N ASN 23.A O no hydrogen 2.755 N/A THR 28.A N ASP 26.A OD1 no hydrogen 3.002 N/A THR 28.A OG1 ASP 26.A OD1 no hydrogen 2.744 N/A TRP 29.A NE1 ARG 273.A O no hydrogen 3.004 N/A LEU 30.A N ALA 21.A O no hydrogen 2.830 N/A ARG 31.A NH2 ASP 34.A OD1 no hydrogen 3.009 N/A LEU 32.A N LEU 19.A O no hydrogen 2.890 N/A ALA 33.A N ASN 78.A OD1 no hydrogen 3.095 N/A LEU 35.A N SER 17.A O no hydrogen 2.905 N/A ARG 39.A N LEU 16.A O no hydrogen 3.062 N/A ARG 39.A NE GLY 55.A O no hydrogen 2.989 N/A ARG 39.A NH2 ALA 53.A O no hydrogen 3.040 N/A ARG 39.A NH2 GLY 55.A O no hydrogen 2.923 N/A SER 40.A N ARG 57.A O no hydrogen 2.888 N/A SER 40.A OG SER 15.A OG no hydrogen 3.110 N/A SER 40.A OG ARG 57.A O no hydrogen 3.506 N/A GLY 41.A N GLY 280.A O no hydrogen 2.864 N/A ALA 43.A N VAL 54.A O no hydrogen 3.074 N/A CYS 45.A N TYR 52.A O no hydrogen 3.168 N/A VAL 47.A N LEU 50.A O no hydrogen 3.052 N/A LEU 50.A N VAL 47.A O no hydrogen 3.064 N/A LEU 51.A N TYR 73.A O no hydrogen 2.984 N/A TYR 52.A N CYS 45.A O no hydrogen 2.813 N/A ALA 53.A N ASP 71.A O no hydrogen 2.859 N/A VAL 54.A N ALA 43.A O no hydrogen 2.924 N/A GLY 55.A N ALA 69.A O no hydrogen 2.920 N/A GLY 56.A N ARG 90.A O no hydrogen 2.879 N/A ARG 57.A N SER 40.A O no hydrogen 2.783 N/A ARG 57.A NE ASN 59.A OD1 no hydrogen 2.750 N/A ARG 57.A NH1 ASP 66.A OD1 no hydrogen 2.807 N/A ASN 58.A N THR 65.A O no hydrogen 2.724 N/A ASN 59.A N SER 15.A OG no hydrogen 2.845 N/A ASN 59.A ND2 SER 15.A OG no hydrogen 3.406 N/A SER 60.A N GLY 63.A O no hydrogen 3.145 N/A SER 60.A N ASN 64.A OD1 no hydrogen 3.259 N/A SER 60.A OG GLY 63.A O no hydrogen 2.857 N/A ASP 62.A N SER 60.A OG no hydrogen 3.011 N/A GLY 63.A N SER 60.A O no hydrogen 3.130 N/A THR 65.A N ASN 58.A O no hydrogen 3.028 N/A SER 67.A N GLY 56.A O no hydrogen 2.829 N/A ALA 69.A N SER 67.A OG no hydrogen 3.032 N/A ASP 71.A N ALA 53.A O no hydrogen 3.053 N/A CYS 72.A N.A SER 81.A O.A no hydrogen 2.815 N/A CYS 72.A N.A SER 81.A O.B no hydrogen 2.770 N/A CYS 72.A N.B SER 81.A O.A no hydrogen 2.842 N/A CYS 72.A N.B SER 81.A O.B no hydrogen 2.797 N/A CYS 72.A SG.A LEU 51.A O no hydrogen 4.021 N/A CYS 72.A SG.B SER 81.A O.A no hydrogen 3.615 N/A CYS 72.A SG.B SER 81.A O.B no hydrogen 3.607 N/A TYR 73.A N LEU 51.A O no hydrogen 2.613 N/A TYR 73.A OH ASN 78.A OD1 no hydrogen 2.579 N/A ASN 74.A N GLN 79.A O no hydrogen 3.095 N/A MET 76.A N.A ASN 74.A OD1 no hydrogen 2.978 N/A MET 76.A N.B ASN 74.A OD1 no hydrogen 2.974 N/A THR 77.A N ASN 74.A O no hydrogen 3.082 N/A THR 77.A OG1 ASN 74.A O no hydrogen 3.348 N/A ASN 78.A N ASN 74.A O no hydrogen 2.817 N/A TRP 80.A NE1 ALA 33.A O no hydrogen 2.942 N/A SER 81.A N.A CYS 72.A O.A no hydrogen 2.782 N/A SER 81.A N.A CYS 72.A O.B no hydrogen 2.836 N/A SER 81.A N.B CYS 72.A O.A no hydrogen 2.782 N/A SER 81.A N.B CYS 72.A O.B no hydrogen 2.837 N/A SER 81.A OG.B PRO 82.A O.A no hydrogen 3.370 N/A SER 81.A OG.B PRO 82.A O.B no hydrogen 3.406 N/A CYS 83.A N LEU 70.A O no hydrogen 2.821 N/A CYS 83.A SG TYR 120.A OH no hydrogen 3.714 N/A ALA 84.A N ASP 125.A OD1 no hydrogen 2.932 N/A MET 86.A N SER 68.A O no hydrogen 2.902 N/A SER 87.A N GLU 118.A OE1 no hydrogen 2.890 N/A SER 87.A N GLU 118.A OE2 no hydrogen 3.295 N/A SER 87.A OG GLU 118.A OE1 no hydrogen 3.400 N/A SER 87.A OG GLU 118.A OE2 no hydrogen 2.740 N/A ARG 90.A N SER 67.A O no hydrogen 3.038 N/A ARG 90.A NE GLU 118.A OE2 no hydrogen 3.244 N/A ARG 90.A NH1 GLY 106.A O no hydrogen 2.969 N/A ARG 90.A NH1 SER 116.A O no hydrogen 2.924 N/A ARG 90.A NH1 SER 116.A OG no hydrogen 3.272 N/A ARG 90.A NH2 SER 116.A OG no hydrogen 2.901 N/A ARG 90.A NH2 GLU 118.A OE2 no hydrogen 2.818 N/A ASN 91.A N SER 108.A O no hydrogen 2.847 N/A ARG 92.A N GLY 41.A O no hydrogen 2.901 N/A ILE 93.A N GLY 41.A O no hydrogen 3.408 N/A GLY 94.A N VAL 105.A O no hydrogen 3.228 N/A GLY 96.A N TYR 103.A O no hydrogen 3.138 N/A ILE 98.A N HIS 101.A O no hydrogen 3.007 N/A HIS 101.A N ILE 98.A O no hydrogen 2.968 N/A ILE 102.A N TYR 120.A O no hydrogen 3.057 N/A TYR 103.A N GLY 96.A O no hydrogen 2.782 N/A ALA 104.A N GLU 118.A O no hydrogen 2.848 N/A VAL 105.A N GLY 94.A O no hydrogen 2.844 N/A GLY 106.A N SER 116.A O no hydrogen 3.187 N/A GLY 107.A N ARG 137.A O no hydrogen 2.911 N/A SER 108.A N ASN 91.A O no hydrogen 2.802 N/A HIS 109.A N ILE 112.A O no hydrogen 2.864 N/A GLY 110.A N ASP 66.A OD2 no hydrogen 2.748 N/A ILE 112.A N HIS 109.A O no hydrogen 2.932 N/A HIS 113.A ND1.A CYS 111.A O.A no hydrogen 3.070 N/A HIS 114.A N GLY 107.A O no hydrogen 2.806 N/A HIS 114.A NE2 PRO 89.A O no hydrogen 2.864 N/A GLU 118.A N ALA 104.A O no hydrogen 3.096 N/A ARG 119.A N HIS 128.A O no hydrogen 2.808 N/A ARG 119.A NH2 GLU 121.A OE2 no hydrogen 3.542 N/A TYR 120.A N ILE 102.A O no hydrogen 2.713 N/A TYR 120.A OH ASP 125.A OD1 no hydrogen 2.578 N/A GLU 121.A N GLU 126.A O no hydrogen 2.942 N/A ARG 124.A N GLU 121.A O no hydrogen 3.112 N/A ASP 125.A N PRO 122.A O no hydrogen 3.320 N/A TRP 127.A NE1 ALA 84.A O no hydrogen 2.861 N/A HIS 128.A N ARG 119.A O no hydrogen 2.899 N/A HIS 128.A NE2 GLU 126.A OE1 no hydrogen 2.998 N/A VAL 130.A N VAL 117.A O no hydrogen 2.976 N/A ALA 131.A N ASN 172.A OD1 no hydrogen 2.990 N/A MET 133.A N ASN 115.A O no hydrogen 2.773 N/A LEU 134.A N GLU 165.A OE1 no hydrogen 2.785 N/A THR 135.A OG1 GLU 165.A OE2 no hydrogen 2.957 N/A ARG 136.A NH1 HIS 113.A O.A no hydrogen 2.795 N/A ARG 136.A NH1 HIS 113.A O.B no hydrogen 2.774 N/A ARG 137.A N HIS 114.A O no hydrogen 3.053 N/A ARG 137.A NE GLU 165.A OE2 no hydrogen 3.072 N/A ARG 137.A NH1 GLY 153.A O no hydrogen 2.868 N/A ARG 137.A NH1 SER 163.A O no hydrogen 2.991 N/A ARG 137.A NH1 SER 163.A OG no hydrogen 3.296 N/A ARG 137.A NH2 SER 163.A OG no hydrogen 2.972 N/A ARG 137.A NH2 GLU 165.A OE2 no hydrogen 2.888 N/A ILE 138.A N PHE 155.A O no hydrogen 2.906 N/A GLY 139.A N ARG 92.A O no hydrogen 2.889 N/A GLY 141.A N VAL 152.A O no hydrogen 2.979 N/A ALA 143.A N TYR 150.A O no hydrogen 3.095 N/A LEU 145.A N LEU 148.A O no hydrogen 3.035 N/A ARG 147.A NE.A ASP 99.A OD1 no hydrogen 2.948 N/A ARG 147.A NE.A ASP 99.A OD2 no hydrogen 3.304 N/A ARG 147.A NH2.A ASP 99.A OD1 no hydrogen 2.972 N/A LEU 148.A N LEU 145.A O no hydrogen 3.052 N/A LEU 149.A N TYR 167.A O no hydrogen 3.278 N/A TYR 150.A N ALA 143.A O no hydrogen 2.810 N/A ALA 151.A N GLU 165.A O no hydrogen 2.886 N/A VAL 152.A N GLY 141.A O no hydrogen 2.744 N/A GLY 153.A N SER 163.A O no hydrogen 2.919 N/A GLY 154.A N ARG 184.A O no hydrogen 2.846 N/A PHE 155.A N ILE 138.A O no hydrogen 2.799 N/A ASP 156.A N ASN 159.A O no hydrogen 2.982 N/A THR 158.A N ASP 156.A OD1 no hydrogen 2.741 N/A ASN 159.A N ASP 156.A OD1 no hydrogen 2.683 N/A ARG 160.A NE SER 185.A OG.A no hydrogen 3.144 N/A LEU 161.A N GLY 154.A O no hydrogen 2.901 N/A ASN 162.A ND2 MET 180.A O no hydrogen 3.286 N/A GLU 165.A N ALA 151.A O no hydrogen 2.950 N/A CYS 166.A N ARG 175.A O no hydrogen 2.735 N/A CYS 166.A SG LEU 149.A O no hydrogen 3.976 N/A TYR 167.A N LEU 149.A O no hydrogen 2.704 N/A TYR 167.A OH ASN 172.A OD1 no hydrogen 2.614 N/A TYR 168.A N GLU 173.A O no hydrogen 2.911 N/A GLU 170.A N GLU 170.A OE2 no hydrogen 2.708 N/A ARG 171.A N TYR 168.A O no hydrogen 3.157 N/A ASN 172.A N PRO 169.A O no hydrogen 3.345 N/A GLU 173.A N TYR 168.A O no hydrogen 3.460 N/A TRP 174.A NE1 ALA 131.A O no hydrogen 2.858 N/A ARG 175.A N CYS 166.A O no hydrogen 2.786 N/A ILE 177.A N ALA 164.A O no hydrogen 3.001 N/A THR 178.A OG1 ALA 219.A O no hydrogen 2.901 N/A MET 180.A N ASN 162.A O no hydrogen 2.850 N/A ASN 181.A N GLU 212.A OE1 no hydrogen 2.824 N/A ASN 181.A ND2 GLU 212.A OE1 no hydrogen 2.819 N/A ASN 181.A ND2 TRP 221.A O no hydrogen 3.246 N/A THR 182.A N GLU 212.A OE2 no hydrogen 3.188 N/A THR 182.A OG1 GLU 212.A OE2 no hydrogen 3.539 N/A ARG 184.A N LEU 161.A O no hydrogen 3.002 N/A ARG 184.A NE GLU 212.A OE2 no hydrogen 3.266 N/A ARG 184.A NH1 GLY 200.A O no hydrogen 2.884 N/A ARG 184.A NH1 SER 210.A O no hydrogen 3.006 N/A ARG 184.A NH1 SER 210.A OG no hydrogen 3.329 N/A ARG 184.A NH2 SER 210.A OG no hydrogen 2.904 N/A ARG 184.A NH2 GLU 212.A OE2 no hydrogen 2.868 N/A SER 185.A N TYR 202.A O no hydrogen 2.866 N/A SER 185.A OG.A TYR 202.A O no hydrogen 3.294 N/A SER 185.A OG.B ILE 138.A O no hydrogen 3.437 N/A GLY 186.A N GLY 139.A O no hydrogen 2.938 N/A GLY 188.A N ALA 199.A O no hydrogen 2.874 N/A CYS 190.A N TYR 197.A O no hydrogen 3.096 N/A LEU 192.A N CYS 195.A O no hydrogen 2.902 N/A CYS 195.A N LEU 192.A O no hydrogen 3.077 N/A CYS 195.A SG HIS 193.A O no hydrogen 4.018 N/A ILE 196.A N TYR 214.A O no hydrogen 3.213 N/A TYR 197.A N CYS 190.A O no hydrogen 2.766 N/A ALA 198.A N GLU 212.A O no hydrogen 2.843 N/A ALA 199.A N GLY 188.A O no hydrogen 2.771 N/A GLY 200.A N SER 210.A O no hydrogen 3.007 N/A GLY 201.A N ARG 231.A O no hydrogen 2.898 N/A TYR 202.A N SER 185.A O no hydrogen 2.776 N/A ASP 203.A N ASP 206.A O.A no hydrogen 3.200 N/A ASP 203.A N ASP 206.A O.B no hydrogen 3.409 N/A GLN 205.A N ASP 203.A OD1 no hydrogen 2.815 N/A ASP 206.A N.A ASP 203.A OD1 no hydrogen 2.815 N/A ASP 206.A N.B ASP 203.A OD1 no hydrogen 2.867 N/A LEU 208.A N GLY 201.A O no hydrogen 2.838 N/A GLU 212.A N ALA 198.A O no hydrogen 3.007 N/A ARG 213.A N THR 222.A O no hydrogen 2.788 N/A ARG 213.A NH1 TYR 197.A OH no hydrogen 3.011 N/A TYR 214.A N ILE 196.A O no hydrogen 2.674 N/A ASP 215.A N THR 220.A O.A no hydrogen 3.061 N/A ASP 215.A N THR 220.A O.B no hydrogen 3.046 N/A ALA 217.A N ASP 215.A OD1 no hydrogen 2.878 N/A THR 218.A N ASP 215.A O no hydrogen 3.291 N/A THR 218.A OG1 ASP 215.A O no hydrogen 3.446 N/A THR 218.A OG1 THR 220.A OG1.B no hydrogen 2.578 N/A ALA 219.A N VAL 216.A O no hydrogen 3.223 N/A THR 220.A N.A ASP 215.A O no hydrogen 3.416 N/A THR 220.A N.B ASP 215.A O no hydrogen 3.424 N/A THR 220.A OG1.A THR 218.A O no hydrogen 2.854 N/A THR 220.A OG1.B THR 218.A OG1 no hydrogen 2.578 N/A TRP 221.A NE1 THR 178.A O no hydrogen 2.875 N/A THR 222.A N ARG 213.A O no hydrogen 2.832 N/A VAL 224.A N VAL 211.A O no hydrogen 2.848 N/A ALA 225.A N ASP 266.A OD1 no hydrogen 3.036 N/A MET 227.A N ASN 209.A O no hydrogen 2.814 N/A LYS 228.A N GLU 259.A OE1 no hydrogen 2.744 N/A HIS 229.A N GLU 259.A OE2 no hydrogen 3.026 N/A ARG 230.A NH1 GLN 207.A O no hydrogen 2.846 N/A ARG 231.A N LEU 208.A O no hydrogen 3.030 N/A ARG 231.A NE HIS 229.A O no hydrogen 3.358 N/A ARG 231.A NH1 GLY 247.A O no hydrogen 2.823 N/A ARG 231.A NH1 SER 257.A O no hydrogen 3.002 N/A ARG 231.A NH2 SER 257.A OG no hydrogen 2.896 N/A ARG 231.A NH2 GLU 259.A OE2 no hydrogen 2.797 N/A SER 232.A N TYR 249.A O no hydrogen 2.894 N/A ALA 233.A N GLY 186.A O no hydrogen 2.853 N/A GLY 235.A N LEU 246.A O no hydrogen 2.950 N/A THR 237.A N TYR 244.A O no hydrogen 3.000 N/A HIS 239.A N ARG 242.A O no hydrogen 2.917 N/A HIS 239.A NE2 ARG 3.A O no hydrogen 3.143 N/A ARG 242.A N HIS 239.A O no hydrogen 3.083 N/A ARG 242.A NH2 ASP 262.A OD2 no hydrogen 3.527 N/A ILE 243.A N TYR 261.A O no hydrogen 3.224 N/A TYR 244.A N THR 237.A O no hydrogen 2.815 N/A VAL 245.A N.A GLU 259.A O no hydrogen 2.857 N/A VAL 245.A N.B GLU 259.A O no hydrogen 2.841 N/A LEU 246.A N GLY 235.A O no hydrogen 2.783 N/A GLY 247.A N SER 257.A O no hydrogen 3.092 N/A GLY 248.A N ARG 278.A O no hydrogen 2.938 N/A TYR 249.A N SER 232.A O no hydrogen 2.842 N/A ASP 250.A N THR 253.A O no hydrogen 3.214 N/A HIS 252.A N ASP 250.A OD1 no hydrogen 2.878 N/A THR 253.A N ASP 250.A OD1 no hydrogen 2.739 N/A LEU 255.A N GLY 248.A O no hydrogen 2.800 N/A SER 257.A OG GLU 270.A OE1 no hydrogen 2.746 N/A VAL 258.A N THR 272.A O no hydrogen 3.104 N/A GLU 259.A N VAL 245.A O.A no hydrogen 3.062 N/A GLU 259.A N VAL 245.A O.B no hydrogen 3.057 N/A CYS 260.A N SER 269.A O.A no hydrogen 2.754 N/A CYS 260.A N SER 269.A O.B no hydrogen 2.725 N/A CYS 260.A SG ILE 243.A O no hydrogen 3.727 N/A TYR 261.A N ILE 243.A O no hydrogen 2.831 N/A TYR 261.A OH ASP 266.A OD1 no hydrogen 2.613 N/A ASP 262.A N THR 267.A O.A no hydrogen 2.935 N/A ASP 262.A N THR 267.A O.B no hydrogen 2.919 N/A ASP 264.A N ASP 262.A OD1 no hydrogen 3.103 N/A THR 265.A N ASP 262.A O no hydrogen 3.333 N/A THR 265.A OG1 ASP 262.A O no hydrogen 3.554 N/A THR 265.A OG1 THR 267.A OG1.A no hydrogen 2.516 N/A THR 265.A OG1 THR 267.A OG1.B no hydrogen 3.329 N/A THR 267.A N.A ASP 262.A O no hydrogen 3.415 N/A THR 267.A N.B ASP 262.A O no hydrogen 3.400 N/A THR 267.A OG1.A THR 265.A OG1 no hydrogen 2.516 N/A THR 267.A OG1.B THR 265.A O no hydrogen 3.022 N/A THR 267.A OG1.B THR 265.A OG1 no hydrogen 3.329 N/A TRP 268.A NE1 ALA 225.A O no hydrogen 2.829 N/A SER 269.A N.A CYS 260.A O no hydrogen 2.933 N/A SER 269.A N.B CYS 260.A O no hydrogen 2.925 N/A VAL 271.A N VAL 258.A O no hydrogen 2.977 N/A THR 272.A OG1 ARG 273.A O no hydrogen 3.497 N/A ARG 273.A NH2 ASP 256.A OD1 no hydrogen 3.075 N/A MET 274.A N ASP 256.A O no hydrogen 2.779 N/A THR 275.A OG1 GLU 20.A OE1 no hydrogen 2.632 N/A THR 275.A OG1 GLU 20.A OE2 no hydrogen 3.251 N/A ARG 278.A N LEU 255.A O no hydrogen 3.117 N/A ARG 278.A NE SER 276.A O no hydrogen 3.079 N/A ARG 278.A NH1 GLU 20.A OE2 no hydrogen 2.720 N/A ARG 278.A NH2 GLU 20.A OE2 no hydrogen 2.885 N/A ARG 278.A NH2 THR 275.A OG1 no hydrogen 3.253 N/A ARG 278.A NH2 SER 276.A O no hydrogen 3.330 N/A ARG 278.A NH2 SER 276.A OG no hydrogen 3.067 N/A SER 279.A N TYR 11.A O no hydrogen 3.067 N/A GLY 280.A N ALA 233.A O no hydrogen 2.820 N/A GLY 282.A N ALA 8.A O no hydrogen 2.950 N/A ALA 284.A N TYR 6.A O no hydrogen 3.088 N/A THR 286.A N LEU 4.A O no hydrogen 3.369 N/A THR 286.A OG1 GLY 49.A O no hydrogen 3.132 N/A MET 287.A N THR 286.A OG1 no hydrogen 2.782 N/A GLU 288.A N GLY 2.A O no hydrogen 2.935 N/A SER 290.A N PRO 75.A O no hydrogen 3.098 N/A