Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2q8w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 2.A ND2 ILE 1.A O no hydrogen 3.219 N/A ILE 4.A N LEU 51.A O no hydrogen 3.002 N/A PHE 6.A N LYS 53.A O no hydrogen 2.880 N/A ALA 8.A N GLN 55.A O no hydrogen 2.811 N/A GLY 9.A N ASP 7.A OD1 no hydrogen 2.999 N/A ASN 10.A N ASP 7.A O no hydrogen 3.367 N/A LYS 15.A N THR 12.A OG1 no hydrogen 3.054 N/A LYS 15.A NZ ASN 10.A O no hydrogen 2.934 N/A TYR 16.A N THR 12.A O no hydrogen 2.917 N/A TYR 16.A OH MET 172.A O no hydrogen 2.734 N/A ALA 17.A N ILE 13.A O no hydrogen 2.879 N/A THR 18.A N ASN 14.A O no hydrogen 3.015 N/A THR 18.A OG1 ASN 14.A O no hydrogen 3.007 N/A THR 18.A OG1 ASN 14.A OD1.A no hydrogen 3.465 N/A PHE 19.A N LYS 15.A O no hydrogen 2.979 N/A MET 20.A N TYR 16.A O no hydrogen 2.959 N/A GLU 21.A N ALA 17.A O no hydrogen 2.915 N/A SER 22.A N THR 18.A O no hydrogen 2.868 N/A SER 22.A OG.A THR 18.A O no hydrogen 3.239 N/A LEU 23.A N PHE 19.A O no hydrogen 2.888 N/A ARG 24.A N MET 20.A O no hydrogen 2.881 N/A ARG 24.A NE ALA 177.A O no hydrogen 2.758 N/A ARG 24.A NH1 GLU 21.A OE2.A no hydrogen 2.974 N/A ARG 24.A NH1 GLU 183.A OE1 no hydrogen 3.027 N/A ARG 24.A NH2 ALA 176.A O no hydrogen 2.810 N/A ARG 24.A NH2 GLU 183.A OE1 no hydrogen 2.732 N/A ASN 25.A N GLU 21.A O no hydrogen 2.918 N/A GLU 26.A N SER 22.A O no hydrogen 2.937 N/A ALA 27.A N LEU 23.A O no hydrogen 2.956 N/A LYS 28.A N ARG 24.A O no hydrogen 3.029 N/A LYS 28.A NZ ASN 25.A OD1 no hydrogen 2.970 N/A ASP 29.A N MET 39.A O no hydrogen 2.878 N/A SER 31.A N ASP 29.A OD1 no hydrogen 2.774 N/A SER 31.A OG ASP 29.A OD1 no hydrogen 3.300 N/A LEU 32.A N ASP 29.A OD1 no hydrogen 3.209 N/A CYS 34.A N ILE 37.A O no hydrogen 3.029 N/A TYR 35.A N GLN 259.A O no hydrogen 2.857 N/A TYR 35.A OH ALA 217.A O no hydrogen 2.515 N/A GLY 36.A N THR 260.A O no hydrogen 2.905 N/A ILE 37.A N CYS 34.A O no hydrogen 2.818 N/A MET 39.A N LEU 32.A O no hydrogen 3.057 N/A LEU 40.A N LEU 251.A O no hydrogen 2.976 N/A THR 43.A N ASN 42.A OD1 no hydrogen 2.695 N/A SER 45.A OG ILE 47.A O no hydrogen 3.203 N/A LYS 48.A NZ TYR 49.A OH no hydrogen 3.456 N/A LEU 50.A N LEU 66.A O no hydrogen 2.912 N/A VAL 52.A N LEU 64.A O no hydrogen 2.921 N/A LYS 53.A N ILE 4.A O no hydrogen 2.770 N/A LEU 54.A N ILE 62.A O no hydrogen 2.787 N/A GLN 55.A N PHE 6.A O no hydrogen 2.947 N/A GLN 55.A NE2 LEU 59.A O no hydrogen 2.934 N/A GLY 56.A N LYS 60.A O no hydrogen 2.904 N/A ALA 57.A N SER 145.A OG no hydrogen 2.826 N/A LEU 59.A N GLY 56.A O no hydrogen 2.906 N/A LYS 60.A N SER 58.A OG no hydrogen 3.077 N/A LYS 60.A NZ GLY 149.A O no hydrogen 2.719 N/A LYS 60.A NZ SER 152.A O no hydrogen 2.712 N/A ILE 62.A N LEU 54.A O no hydrogen 2.959 N/A THR 63.A N SER 77.A O no hydrogen 2.883 N/A LEU 64.A N VAL 52.A O no hydrogen 2.778 N/A ILE 65.A N GLY 75.A O no hydrogen 3.104 N/A LEU 66.A N LEU 50.A O no hydrogen 2.806 N/A ARG 67.A N TYR 72.A O no hydrogen 2.930 N/A ARG 67.A NE GLU 96.A OE2 no hydrogen 3.337 N/A ARG 67.A NH1 ASN 70.A OD1 no hydrogen 2.964 N/A ARG 67.A NH2 GLU 96.A OE2 no hydrogen 3.054 N/A ARG 68.A N LYS 48.A O no hydrogen 2.850 N/A ARG 68.A NE GLU 26.A O no hydrogen 2.952 N/A ARG 68.A NE ALA 27.A O no hydrogen 3.218 N/A ARG 68.A NH1 ILE 47.A O no hydrogen 3.231 N/A ARG 68.A NH2 LYS 28.A O no hydrogen 2.879 N/A LEU 71.A N ARG 67.A O no hydrogen 2.740 N/A TYR 72.A N ASN 70.A OD1 no hydrogen 3.092 N/A MET 74.A N ILE 65.A O no hydrogen 2.955 N/A TYR 76.A N HIS 87.A O no hydrogen 2.899 N/A TYR 76.A OH GLU 162.A OE2 no hydrogen 2.634 N/A SER 77.A N THR 63.A O no hydrogen 2.827 N/A ASP 78.A N ARG 85.A O no hydrogen 2.965 N/A TYR 80.A N LYS 83.A O no hydrogen 2.886 N/A LYS 83.A N TYR 80.A O no hydrogen 2.856 N/A CYS 84.A N PRO 110.A O no hydrogen 2.998 N/A CYS 84.A SG LEU 104.A O no hydrogen 3.366 N/A ARG 85.A N ASP 78.A O no hydrogen 2.929 N/A ARG 85.A NE ASP 78.A OD1 no hydrogen 2.891 N/A ARG 85.A NH1 GLN 154.A O no hydrogen 2.939 N/A ARG 85.A NH2 ASP 78.A OD1 no hydrogen 3.456 N/A ARG 85.A NH2 ASP 78.A OD2 no hydrogen 2.862 N/A ARG 85.A NH2 GLN 154.A O no hydrogen 2.857 N/A TYR 86.A N VAL 112.A O no hydrogen 3.003 N/A HIS 87.A N TYR 76.A O no hydrogen 2.784 N/A HIS 87.A NE2 ASP 78.A OD1 no hydrogen 2.569 N/A PHE 89.A N MET 74.A O no hydrogen 3.347 N/A ASN 90.A N TYR 118.A O no hydrogen 3.078 N/A ILE 92.A N PHE 89.A O no hydrogen 3.230 N/A TYR 97.A N LYS 93.A O no hydrogen 3.414 N/A SER 98.A N GLY 94.A O no hydrogen 3.239 N/A ASP 99.A N THR 95.A O no hydrogen 2.895 N/A VAL 100.A N GLU 96.A O no hydrogen 2.670 N/A GLU 101.A N TYR 97.A O no hydrogen 2.812 N/A ASN 102.A N SER 98.A O no hydrogen 2.810 N/A ASN 102.A ND2 SER 98.A O no hydrogen 2.768 N/A THR 103.A N ASP 99.A O no hydrogen 2.968 N/A THR 103.A OG1 ASP 99.A O no hydrogen 2.608 N/A LEU 104.A N VAL 100.A O no hydrogen 2.896 N/A CYS 105.A N GLU 101.A O no hydrogen 2.935 N/A ASN 109.A N PRO 106.A O no hydrogen 3.194 N/A ARG 111.A NH1 ASN 102.A OD1 no hydrogen 2.919 N/A ARG 111.A NH1 CYS 105.A O no hydrogen 2.761 N/A VAL 112.A N CYS 84.A O no hydrogen 2.985 N/A LYS 114.A N TYR 86.A O no hydrogen 2.894 N/A ILE 116.A N ILE 88.A O no hydrogen 3.076 N/A TYR 118.A OH GLU 162.A OE1 no hydrogen 2.819 N/A LEU 121.A N ASN 119.A OD1 no hydrogen 3.118 N/A TYR 122.A OH GLU 175.A OE2 no hydrogen 2.577 N/A THR 124.A OG1 ASN 119.A OD1 no hydrogen 2.599 N/A LEU 125.A N LEU 121.A O no hydrogen 2.965 N/A GLU 126.A N TYR 122.A O no hydrogen 2.863 N/A ASN 127.A N PRO 123.A O no hydrogen 3.082 N/A LYS 128.A N THR 124.A O no hydrogen 3.012 N/A LYS 128.A NZ GLU 159.A OE1 no hydrogen 2.861 N/A ALA 129.A N LEU 125.A O no hydrogen 2.759 N/A GLY 130.A N ASN 127.A O no hydrogen 3.064 N/A VAL 131.A N GLU 126.A O no hydrogen 3.025 N/A SER 133.A OG ASN 135.A OD1 no hydrogen 3.261 N/A ARG 134.A N GLU 126.A OE2 no hydrogen 2.754 N/A ARG 134.A NE GLU 204.A OE1 no hydrogen 2.879 N/A ARG 134.A NH1 GLU 126.A OE2 no hydrogen 2.956 N/A ARG 134.A NH2 GLU 204.A OE1 no hydrogen 2.973 N/A ARG 134.A NH2 GLU 205.A OE2 no hydrogen 2.794 N/A ASN 135.A N SER 133.A OG no hydrogen 3.117 N/A GLN 136.A N SER 133.A O no hydrogen 2.949 N/A GLN 136.A NE2 THR 132.A OG1.A no hydrogen 2.341 N/A VAL 137.A N ARG 134.A O no hydrogen 2.985 N/A LEU 139.A N PHE 194.A O no hydrogen 2.721 N/A LEU 144.A N GLY 140.A O no hydrogen 2.932 N/A SER 145.A N ILE 141.A O no hydrogen 3.031 N/A SER 146.A N GLN 142.A O no hydrogen 2.859 N/A SER 146.A OG.B GLN 142.A O no hydrogen 3.111 N/A ASP 147.A N ILE 143.A O no hydrogen 2.817 N/A ILE 148.A N LEU 144.A O no hydrogen 3.030 N/A GLY 149.A N SER 145.A O no hydrogen 3.154 N/A LYS 150.A N SER 146.A O no hydrogen 3.067 N/A LYS 150.A N ASP 147.A O no hydrogen 3.207 N/A ILE 151.A N ILE 148.A O no hydrogen 3.249 N/A SER 152.A N ILE 148.A O no hydrogen 2.851 N/A SER 152.A OG THR 61.A O no hydrogen 2.601 N/A GLY 153.A N ASP 78.A OD2 no hydrogen 2.745 N/A GLN 154.A N ILE 151.A O no hydrogen 2.966 N/A THR 158.A OG1 THR 161.A OG1 no hydrogen 3.137 N/A THR 161.A N THR 158.A OG1 no hydrogen 3.030 N/A THR 161.A OG1 THR 158.A OG1 no hydrogen 3.137 N/A GLU 162.A N THR 158.A O no hydrogen 2.982 N/A ALA 163.A N GLU 159.A O no hydrogen 2.718 N/A LYS 164.A N LYS 160.A O no hydrogen 2.988 N/A PHE 165.A N THR 161.A O no hydrogen 3.003 N/A LEU 166.A N GLU 162.A O no hydrogen 2.840 N/A LEU 167.A N ALA 163.A O no hydrogen 2.935 N/A VAL 168.A N LYS 164.A O no hydrogen 2.986 N/A ALA 169.A N PHE 165.A O no hydrogen 2.799 N/A ILE 170.A N LEU 166.A O no hydrogen 2.828 N/A GLN 171.A N LEU 167.A O no hydrogen 3.267 N/A GLN 171.A NE2 GLU 204.A OE1 no hydrogen 3.264 N/A GLN 171.A NE2 GLU 204.A OE2 no hydrogen 2.585 N/A MET 172.A N VAL 168.A O no hydrogen 2.834 N/A VAL 173.A N ALA 169.A O no hydrogen 2.872 N/A GLU 175.A N ILE 170.A O no hydrogen 3.002 N/A ALA 177.A N VAL 173.A O no hydrogen 2.970 N/A ARG 178.A N PRO 174.A O no hydrogen 2.920 N/A ARG 178.A NH1 GLU 175.A OE1 no hydrogen 2.911 N/A ARG 178.A NH2 ASN 70.A O no hydrogen 2.739 N/A PHE 179.A N GLU 175.A O no hydrogen 2.846 N/A TYR 181.A N ASP 247.A O no hydrogen 3.128 N/A ILE 182.A N PHE 179.A O no hydrogen 2.917 N/A GLU 183.A N PHE 179.A O no hydrogen 3.108 N/A ASN 184.A N LYS 180.A O no hydrogen 2.783 N/A GLN 185.A N TYR 181.A O no hydrogen 2.966 N/A VAL 186.A N ILE 182.A O no hydrogen 3.146 N/A LYS 187.A N GLU 183.A O no hydrogen 2.943 N/A LYS 187.A NZ GLU 183.A OE2 no hydrogen 2.812 N/A THR 188.A N ASN 184.A O no hydrogen 2.862 N/A THR 188.A OG1 ASN 184.A O no hydrogen 3.076 N/A THR 188.A OG1 GLN 185.A O no hydrogen 3.415 N/A ASN 189.A N VAL 186.A O no hydrogen 3.276 N/A ASN 189.A ND2 GLN 185.A O no hydrogen 2.796 N/A ARG 192.A N ASN 189.A O no hydrogen 3.104 N/A ARG 192.A NH1 ASN 189.A OD1 no hydrogen 2.723 N/A PHE 194.A N LEU 139.A O no hydrogen 2.872 N/A ASN 197.A ND2 TYR 181.A OH no hydrogen 2.978 N/A LYS 199.A NZ ASP 247.A OD2 no hydrogen 2.779 N/A VAL 200.A N ASN 197.A OD1 no hydrogen 2.885 N/A LEU 201.A N ASN 197.A O no hydrogen 3.249 N/A GLU 202.A N ASP 198.A O no hydrogen 2.970 N/A LEU 203.A N LYS 199.A O no hydrogen 2.855 N/A GLU 204.A N VAL 200.A O no hydrogen 3.041 N/A GLU 205.A N LEU 201.A O no hydrogen 3.012 N/A ASN 206.A N LEU 203.A O no hydrogen 3.122 N/A ASN 206.A ND2 GLU 202.A O no hydrogen 2.835 N/A TRP 207.A NE1 LEU 250.A O no hydrogen 2.859 N/A LYS 209.A NZ ASN 206.A OD1 no hydrogen 3.374 N/A ILE 210.A N ASN 206.A O no hydrogen 2.799 N/A SER 211.A N TRP 207.A O no hydrogen 2.816 N/A SER 211.A OG TRP 207.A O no hydrogen 2.749 N/A THR 212.A N GLY 208.A O no hydrogen 2.849 N/A THR 212.A OG1 GLY 208.A O no hydrogen 3.051 N/A ALA 213.A N LYS 209.A O no hydrogen 3.013 N/A ILE 214.A N ILE 210.A O no hydrogen 3.031 N/A HIS 215.A N SER 211.A O no hydrogen 2.946 N/A HIS 215.A ND1 ASP 216.A OD1 no hydrogen 2.758 N/A HIS 215.A NE2 GLY 256.A O no hydrogen 2.747 N/A ASP 216.A N THR 212.A O no hydrogen 2.804 N/A ALA 217.A N ILE 214.A O no hydrogen 3.235 N/A LYS 218.A N ALA 221.A O no hydrogen 3.084 N/A GLY 220.A N TYR 35.A OH no hydrogen 2.957 N/A ALA 221.A N LYS 218.A O no hydrogen 2.904 N/A LEU 222.A N LEU 239.A O no hydrogen 2.823 N/A LEU 226.A N VAL 238.A O no hydrogen 2.815 N/A LEU 228.A N TRP 236.A O no hydrogen 2.702 N/A ASN 230.A N THR 234.A O no hydrogen 2.768 N/A ASN 230.A ND2 THR 234.A O no hydrogen 3.400 N/A ASN 230.A ND2 THR 234.A OG1 no hydrogen 2.883 N/A GLY 233.A N ASN 230.A O no hydrogen 2.838 N/A THR 234.A N ASP 232.A OD1 no hydrogen 2.964 N/A THR 234.A OG1 ASP 232.A OD1 no hydrogen 2.619 N/A TRP 236.A N LEU 228.A O no hydrogen 2.965 N/A VAL 238.A N LEU 226.A O no hydrogen 2.831 N/A LEU 239.A N GLU 243.A OE2 no hydrogen 2.771 N/A ARG 240.A N GLU 243.A OE2 no hydrogen 2.693 N/A ARG 240.A NH2 ASN 219.A O no hydrogen 2.783 N/A VAL 241.A N GLY 220.A O no hydrogen 2.821 N/A GLU 243.A N ARG 240.A O no hydrogen 2.998 N/A ILE 244.A N VAL 241.A O no hydrogen 3.083 N/A LYS 245.A N VAL 241.A O no hydrogen 2.835 N/A LYS 245.A NZ TYR 35.A O no hydrogen 2.793 N/A ASP 247.A N ILE 244.A O no hydrogen 2.901 N/A VAL 248.A N LYS 245.A O no hydrogen 2.956 N/A GLY 249.A N ARG 178.A O no hydrogen 2.690 N/A LEU 250.A N ARG 178.A O no hydrogen 3.092 N/A LEU 251.A N PRO 38.A O no hydrogen 2.777 N/A LYS 252.A N SER 211.A OG no hydrogen 2.848 N/A TYR 253.A OH ASN 255.A OD1 no hydrogen 2.789 N/A CYS 258.A SG LYS 33.A O no hydrogen 3.242 N/A CYS 258.A SG GLN 259.A O no hydrogen 3.846 N/A GLN 259.A NE2 THR 261.A OXT no hydrogen 2.807 N/A