Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wzd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH GLU 9.A OE1 no hydrogen 2.764 N/A SER 6.A OG ASP 4.A OD1 no hydrogen 2.688 N/A LYS 7.A N ASP 4.A O no hydrogen 3.009 N/A LYS 7.A N ASP 4.A OD1 no hydrogen 3.345 N/A TRP 8.A N ASP 4.A O no hydrogen 3.041 N/A GLU 9.A N ALA 5.A O no hydrogen 2.881 N/A PHE 10.A N ALA 81.A O no hydrogen 2.899 N/A ARG 12.A NE PRO 88.A O no hydrogen 3.131 N/A ARG 12.A NH1 LYS 84.A O no hydrogen 2.831 N/A ARG 12.A NH1 PRO 85.A O no hydrogen 3.567 N/A ARG 12.A NH2 LYS 84.A O no hydrogen 2.854 N/A ARG 12.A NH2 PRO 88.A O no hydrogen 2.966 N/A ARG 14.A N PRO 11.A O no hydrogen 3.080 N/A ARG 14.A NE PHE 31.A O no hydrogen 2.915 N/A LEU 15.A N ARG 12.A O no hydrogen 3.248 N/A LYS 16.A N ASP 29.A O no hydrogen 2.820 N/A GLY 18.A N GLU 27.A O no hydrogen 2.721 N/A LEU 21.A N VAL 25.A O no hydrogen 2.894 N/A VAL 25.A N GLY 23.A O no hydrogen 2.869 N/A ILE 26.A N VAL 44.A O no hydrogen 2.862 N/A GLU 27.A N LYS 19.A O no hydrogen 2.873 N/A ALA 28.A N VAL 42.A O no hydrogen 3.013 N/A ASP 29.A N LYS 16.A O no hydrogen 2.969 N/A ALA 30.A N ARG 40.A O no hydrogen 2.817 N/A PHE 31.A N ARG 14.A O no hydrogen 2.863 N/A GLY 32.A N THR 38.A O no hydrogen 3.136 N/A THR 36.A N ASP 34.A OD2 no hydrogen 2.790 N/A THR 36.A OG1 ASP 34.A OD2 no hydrogen 2.699 N/A ALA 37.A N ASP 34.A OD2 no hydrogen 3.298 N/A ARG 40.A N ALA 30.A O no hydrogen 2.910 N/A THR 41.A OG1 ASP 29.A OD1 no hydrogen 2.814 N/A VAL 42.A N ALA 28.A O no hydrogen 2.840 N/A ALA 43.A N VAL 93.A O no hydrogen 3.016 N/A VAL 44.A N ILE 26.A O no hydrogen 2.822 N/A LYS 45.A N VAL 91.A O no hydrogen 2.860 N/A LYS 45.A NZ GLU 62.A OE1 no hydrogen 2.943 N/A MET 46.A N GLN 24.A O no hydrogen 2.915 N/A LEU 47.A N LEU 89.A O no hydrogen 3.027 N/A LYS 48.A NZ GLU 55.A OE1 no hydrogen 3.558 N/A ALA 51.A N LYS 48.A O no hydrogen 3.240 N/A THR 52.A N GLU 55.A OE1 no hydrogen 2.956 N/A THR 52.A OG1 SER 54.A OG.A no hydrogen 2.860 N/A SER 54.A OG.A THR 52.A OG1 no hydrogen 2.860 N/A GLU 55.A N THR 52.A OG1 no hydrogen 3.129 N/A HIS 56.A N THR 52.A O no hydrogen 2.888 N/A ARG 57.A N HIS 53.A O no hydrogen 2.745 N/A ALA 58.A N SER 54.A O.A no hydrogen 2.915 N/A ALA 58.A N SER 54.A O.B no hydrogen 2.916 N/A LEU 59.A N GLU 55.A O no hydrogen 3.195 N/A MET 60.A N HIS 56.A O no hydrogen 2.994 N/A SER 61.A N.A ARG 57.A O no hydrogen 2.811 N/A SER 61.A N.B ARG 57.A O no hydrogen 2.813 N/A SER 61.A OG.B ARG 57.A O no hydrogen 3.014 N/A GLU 62.A N ALA 58.A O no hydrogen 3.002 N/A LEU 63.A N LEU 59.A O no hydrogen 2.990 N/A LYS 64.A N MET 60.A O no hydrogen 2.979 N/A ILE 65.A N SER 61.A O.A no hydrogen 2.942 N/A ILE 65.A N SER 61.A O.B no hydrogen 2.891 N/A LEU 66.A N GLU 62.A O no hydrogen 3.027 N/A ILE 67.A N LEU 63.A O no hydrogen 2.931 N/A HIS 68.A N LYS 64.A O no hydrogen 2.881 N/A ILE 69.A N ILE 65.A O no hydrogen 2.996 N/A HIS 72.A N ASN 77.A OD1 no hydrogen 3.142 N/A ASN 74.A N HIS 72.A ND1 no hydrogen 3.078 N/A ASN 74.A ND2 GLN 138.A OE1 no hydrogen 2.964 N/A ASN 74.A ND2 VAL 169.A O no hydrogen 2.940 N/A VAL 75.A N HIS 72.A O no hydrogen 3.284 N/A VAL 76.A N.A ILE 171.A O no hydrogen 2.938 N/A VAL 76.A N.B ILE 171.A O no hydrogen 2.927 N/A ASN 77.A N GLU 94.A OE2 no hydrogen 2.986 N/A ASN 77.A ND2 HIS 72.A O no hydrogen 2.738 N/A ASN 77.A ND2 GLU 94.A OE2 no hydrogen 2.936 N/A LEU 79.A N ILE 92.A O no hydrogen 2.779 N/A GLY 80.A N ILE 92.A O no hydrogen 3.166 N/A ALA 81.A N TRP 8.A O no hydrogen 2.946 N/A CYS 82.A N MET 90.A O no hydrogen 2.853 N/A CYS 82.A SG PHE 10.A O no hydrogen 3.415 N/A THR 83.A N GLU 9.A OE2 no hydrogen 2.761 N/A THR 83.A OG1 GLU 9.A OE1 no hydrogen 2.673 N/A THR 83.A OG1 GLU 9.A OE2 no hydrogen 3.536 N/A LYS 84.A N GLU 9.A OE2 no hydrogen 3.110 N/A MET 90.A N CYS 82.A O no hydrogen 3.013 N/A VAL 91.A N LYS 45.A O no hydrogen 2.857 N/A ILE 92.A N GLY 80.A O no hydrogen 2.826 N/A VAL 93.A N ALA 43.A O no hydrogen 2.892 N/A GLU 94.A N ASN 77.A O no hydrogen 3.012 N/A PHE 98.A N LEU 163.A O no hydrogen 2.922 N/A GLY 99.A N CYS 96.A O no hydrogen 3.000 N/A ASN 100.A ND2 THR 103.A OG1 no hydrogen 2.847 N/A LEU 101.A N ILE 161.A O no hydrogen 2.771 N/A SER 102.A OG GLY 213.A O no hydrogen 3.527 N/A THR 103.A N ASN 100.A OD1 no hydrogen 3.006 N/A TYR 104.A N ASN 100.A O no hydrogen 3.102 N/A LEU 105.A N LEU 101.A O no hydrogen 2.851 N/A ARG 106.A N SER 102.A O no hydrogen 3.022 N/A ARG 106.A NH1 GLY 213.A O no hydrogen 3.189 N/A SER 107.A N THR 103.A O no hydrogen 3.168 N/A SER 107.A OG TYR 104.A O no hydrogen 2.634 N/A LYS 108.A N LEU 105.A O no hydrogen 3.028 N/A LYS 108.A NZ GLU 111.A OE1 no hydrogen 2.660 N/A LYS 108.A NZ ASP 125.A O no hydrogen 2.692 N/A ARG 109.A N ARG 106.A O no hydrogen 3.502 N/A ARG 109.A NE LEU 212.A O no hydrogen 2.955 N/A ARG 109.A NH2 LEU 212.A O no hydrogen 3.084 N/A GLU 111.A N LYS 108.A O no hydrogen 2.879 N/A VAL 113.A N LEU 127.A O no hydrogen 3.071 N/A LYS 116.A NZ TYR 123.A O no hydrogen 3.338 N/A LEU 122.A N PRO 119.A O no hydrogen 3.409 N/A TYR 123.A N GLU 120.A O no hydrogen 2.877 N/A LYS 124.A N ASP 121.A O no hydrogen 3.285 N/A LYS 124.A NZ ASP 125.A OD2 no hydrogen 3.156 N/A PHE 126.A N TYR 123.A O no hydrogen 2.990 N/A LEU 127.A N GLU 111.A O no hydrogen 2.854 N/A THR 128.A N HIS 131.A ND1 no hydrogen 3.179 N/A THR 128.A OG1 HIS 131.A ND1 no hydrogen 2.771 N/A LEU 129.A N PRO 114.A O no hydrogen 2.983 N/A HIS 131.A N THR 128.A OG1 no hydrogen 3.337 N/A HIS 131.A ND1 THR 128.A OG1 no hydrogen 2.771 N/A LEU 132.A N THR 128.A O no hydrogen 3.187 N/A ILE 133.A N LEU 129.A O no hydrogen 2.951 N/A CYS 134.A N GLU 130.A O no hydrogen 2.843 N/A TYR 135.A N HIS 131.A O no hydrogen 2.825 N/A TYR 135.A OH ASN 167.A OD1 no hydrogen 2.691 N/A SER 136.A N LEU 132.A O no hydrogen 3.052 N/A SER 136.A OG LEU 132.A O no hydrogen 2.824 N/A PHE 137.A N ILE 133.A O no hydrogen 2.897 N/A GLN 138.A N CYS 134.A O no hydrogen 2.932 N/A GLN 138.A NE2 CYS 134.A O no hydrogen 3.649 N/A GLN 138.A NE2 ASN 167.A O no hydrogen 2.863 N/A VAL 139.A N TYR 135.A O no hydrogen 3.004 N/A ALA 140.A N SER 136.A O no hydrogen 2.934 N/A LYS 141.A N PHE 137.A O no hydrogen 2.915 N/A GLY 142.A N GLN 138.A O no hydrogen 2.891 N/A MET 143.A N VAL 139.A O no hydrogen 2.864 N/A GLU 144.A N ALA 140.A O no hydrogen 2.856 N/A PHE 145.A N LYS 141.A O no hydrogen 3.034 N/A LEU 146.A N GLY 142.A O no hydrogen 2.906 N/A ALA 147.A N MET 143.A O no hydrogen 2.742 N/A SER 148.A N GLU 144.A O no hydrogen 2.980 N/A SER 148.A OG PHE 145.A O no hydrogen 2.705 N/A ARG 149.A N PHE 145.A O no hydrogen 3.069 N/A ARG 149.A NE ILE 69.A O no hydrogen 2.814 N/A ARG 149.A NH2 HIS 68.A O no hydrogen 2.788 N/A LYS 150.A N ALA 147.A O no hydrogen 2.924 N/A CYS 151.A N LEU 146.A O no hydrogen 3.002 N/A HIS 153.A N ASP 198.A OD2 no hydrogen 2.798 N/A HIS 153.A NE2 CYS 172.A O no hydrogen 2.884 N/A ARG 154.A N ASP 198.A OD1 no hydrogen 3.012 N/A ARG 154.A NE ALA 177.A O no hydrogen 3.032 N/A ARG 154.A NH2 ALA 177.A O no hydrogen 3.332 N/A ASP 155.A N HIS 153.A ND1 no hydrogen 3.071 N/A ALA 158.A N GLU 208.A OE2 no hydrogen 2.863 N/A ARG 159.A NH2 ASP 155.A OD1 no hydrogen 2.637 N/A ARG 159.A NH2 ASP 155.A OD2 no hydrogen 3.397 N/A ASN 160.A N ALA 157.A O no hydrogen 2.902 N/A ASN 160.A ND2 ASP 155.A O no hydrogen 2.849 N/A ASN 160.A ND2 ASP 155.A OD2 no hydrogen 3.422 N/A ILE 161.A N ALA 158.A O no hydrogen 3.038 N/A LEU 162.A N LYS 170.A O no hydrogen 2.801 N/A LEU 163.A N GLY 99.A O no hydrogen 2.904 N/A SER 164.A N VAL 168.A O no hydrogen 2.827 N/A GLU 165.A N SER 164.A OG no hydrogen 2.814 N/A VAL 168.A N GLU 165.A O no hydrogen 3.127 N/A VAL 169.A N GLN 138.A OE1 no hydrogen 2.987 N/A LYS 170.A N LEU 162.A O no hydrogen 2.829 N/A LYS 170.A NZ LEU 73.A O no hydrogen 2.821 N/A LYS 170.A NZ GLU 94.A OE1 no hydrogen 3.560 N/A LYS 170.A NZ GLU 94.A OE2 no hydrogen 2.988 N/A ILE 171.A N ASN 74.A O no hydrogen 2.894 N/A CYS 172.A N ASN 160.A O no hydrogen 2.915 N/A CYS 172.A SG ASN 160.A O no hydrogen 3.612 N/A GLY 175.A N HIS 153.A O no hydrogen 2.972 N/A LYS 181.A N.A LEU 178.A O no hydrogen 2.933 N/A LYS 181.A N.B LEU 178.A O no hydrogen 2.942 N/A LYS 181.A NZ.A SER 215.A OG no hydrogen 2.547 N/A LYS 181.A NZ.A PRO 216.A O no hydrogen 3.007 N/A LYS 181.A NZ.B SER 215.A OG no hydrogen 3.224 N/A LYS 181.A NZ.B PRO 216.A O no hydrogen 3.017 N/A TRP 182.A N PRO 179.A O no hydrogen 3.057 N/A TRP 182.A NE1 GLU 208.A OE2 no hydrogen 2.901 N/A MET 183.A N LEU 180.A O no hydrogen 3.119 N/A GLU 186.A N GLU 186.A OE1 no hydrogen 2.819 N/A THR 187.A N ALA 184.A O no hydrogen 2.890 N/A THR 187.A OG1 VAL 192.A O no hydrogen 2.840 N/A ILE 188.A N ALA 184.A O no hydrogen 3.007 N/A PHE 189.A N PRO 185.A O no hydrogen 2.816 N/A ASP 190.A N GLU 186.A O no hydrogen 2.939 N/A ARG 191.A N THR 187.A O no hydrogen 3.036 N/A VAL 192.A N GLU 186.A O no hydrogen 3.375 N/A THR 194.A N SER 197.A OG no hydrogen 2.829 N/A GLN 196.A NE2 PRO 258.A O no hydrogen 3.626 N/A GLN 196.A NE2 PRO 262.A O no hydrogen 3.068 N/A SER 197.A N THR 194.A OG1 no hydrogen 2.996 N/A SER 197.A OG THR 194.A O no hydrogen 2.799 N/A ASP 198.A N THR 194.A O no hydrogen 3.104 N/A VAL 199.A N ILE 195.A O no hydrogen 3.041 N/A TRP 200.A N GLN 196.A O no hydrogen 3.292 N/A SER 201.A N SER 197.A O no hydrogen 3.133 N/A SER 201.A OG TRP 182.A O no hydrogen 2.694 N/A SER 201.A OG SER 197.A O no hydrogen 3.288 N/A PHE 202.A N ASP 198.A O no hydrogen 2.768 N/A GLY 203.A N VAL 199.A O no hydrogen 2.984 N/A VAL 204.A N TRP 200.A O no hydrogen 3.227 N/A LEU 205.A N SER 201.A O no hydrogen 2.804 N/A LEU 206.A N PHE 202.A O no hydrogen 2.805 N/A TRP 207.A N GLY 203.A O no hydrogen 3.090 N/A TRP 207.A NE1 ARG 237.A O no hydrogen 2.926 N/A GLU 208.A N VAL 204.A O no hydrogen 2.955 N/A ILE 209.A N LEU 205.A O no hydrogen 2.808 N/A PHE 210.A N LEU 206.A O no hydrogen 2.905 N/A SER 211.A OG TRP 207.A O no hydrogen 2.882 N/A SER 211.A OG GLU 208.A O no hydrogen 3.047 N/A LEU 212.A N ILE 209.A O no hydrogen 3.040 N/A GLY 213.A N GLU 208.A O no hydrogen 2.860 N/A ALA 214.A N SER 211.A OG no hydrogen 3.058 N/A VAL 220.A N TYR 217.A O no hydrogen 3.234 N/A GLU 224.A N GLU 224.A OE1 no hydrogen 2.691 N/A GLU 225.A N ASP 223.A OD1 no hydrogen 3.046 N/A CYS 227.A N ASP 223.A O no hydrogen 3.108 N/A CYS 227.A SG ASP 223.A O no hydrogen 3.639 N/A ARG 228.A N GLU 224.A O no hydrogen 2.879 N/A ARG 228.A NE GLU 225.A OE1 no hydrogen 2.929 N/A ARG 228.A NH1 GLU 232.A OE1 no hydrogen 3.054 N/A ARG 228.A NH2 GLU 225.A OE2 no hydrogen 2.920 N/A ARG 229.A N GLU 225.A O no hydrogen 2.873 N/A LEU 230.A N PHE 226.A O no hydrogen 2.987 N/A LYS 231.A N CYS 227.A O no hydrogen 3.124 N/A GLU 232.A N ARG 228.A O no hydrogen 3.013 N/A GLY 233.A N LEU 230.A O no hydrogen 3.010 N/A THR 234.A N ARG 229.A O no hydrogen 2.996 N/A THR 234.A OG1 ARG 229.A O no hydrogen 3.493 N/A ARG 235.A NE TRP 254.A O no hydrogen 3.027 N/A ARG 235.A NH1 LEU 230.A O no hydrogen 2.888 N/A ARG 235.A NH1 THR 234.A O no hydrogen 2.926 N/A ARG 235.A NH2 TRP 254.A O no hydrogen 2.842 N/A TYR 241.A N PHE 210.A O no hydrogen 2.930 N/A THR 242.A N PRO 239.A O no hydrogen 3.276 N/A THR 242.A OG1 THR 243.A O no hydrogen 2.817 N/A THR 243.A OG1 GLU 245.A OE1 no hydrogen 3.536 N/A GLU 245.A N GLU 245.A OE1 no hydrogen 2.925 N/A MET 246.A N THR 243.A OG1 no hydrogen 3.131 N/A TYR 247.A N THR 243.A O no hydrogen 3.019 N/A TYR 247.A OH MET 236.A O no hydrogen 2.736 N/A GLN 248.A N PRO 244.A O no hydrogen 2.916 N/A GLN 248.A NE2 ASP 252.A OD1 no hydrogen 3.018 N/A THR 249.A N GLU 245.A O no hydrogen 2.955 N/A THR 249.A OG1 GLU 245.A O no hydrogen 2.873 N/A THR 249.A OG1 HIS 270.A NE2 no hydrogen 3.229 N/A MET 250.A N MET 246.A O no hydrogen 3.023 N/A LEU 251.A N TYR 247.A O no hydrogen 3.045 N/A ASP 252.A N GLN 248.A O no hydrogen 2.900 N/A CYS 253.A N THR 249.A O no hydrogen 3.015 N/A CYS 253.A SG THR 249.A O no hydrogen 3.408 N/A TRP 254.A N MET 250.A O no hydrogen 3.071 N/A TRP 254.A N LEU 251.A O no hydrogen 3.139 N/A HIS 255.A N ASP 252.A O no hydrogen 3.258 N/A GLU 257.A N HIS 255.A ND1 no hydrogen 3.086 N/A SER 259.A OG GLN 260.A OE1 no hydrogen 3.318 N/A GLN 260.A N GLU 257.A O no hydrogen 2.908 N/A ARG 261.A N PRO 258.A O no hydrogen 3.232 N/A ARG 261.A NE HIS 255.A O no hydrogen 2.782 N/A ARG 261.A NH1 GLU 186.A OE2 no hydrogen 2.751 N/A ARG 261.A NH1 GLN 196.A O no hydrogen 2.912 N/A ARG 261.A NH2 GLU 186.A OE1 no hydrogen 2.967 N/A ARG 261.A NH2 HIS 255.A O no hydrogen 3.033 N/A THR 263.A N GLU 266.A OE1 no hydrogen 2.903 N/A SER 265.A OG GLU 144.A OE2 no hydrogen 2.713 N/A GLU 266.A N THR 263.A OG1 no hydrogen 3.084 N/A LEU 267.A N THR 263.A O no hydrogen 2.953 N/A VAL 268.A N PHE 264.A O no hydrogen 2.891 N/A GLU 269.A N SER 265.A O no hydrogen 3.132 N/A HIS 270.A N GLU 266.A O no hydrogen 2.944 N/A LEU 271.A N LEU 267.A O no hydrogen 2.771 N/A GLY 272.A N VAL 268.A O no hydrogen 2.898 N/A ASN 273.A N GLU 269.A O no hydrogen 2.897 N/A LEU 274.A N HIS 270.A O no hydrogen 2.805 N/A LEU 275.A N LEU 271.A O no hydrogen 2.778 N/A GLN 276.A N GLY 272.A O no hydrogen 3.128 N/A ALA 277.A N ASN 273.A O no hydrogen 2.912 N/A ASN 278.A N LEU 274.A O no hydrogen 2.836 N/A