Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3gdk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A NZ GLY 225.A O no hydrogen 2.623 N/A LYS 1.A NZ ASP 227.A OD1 no hydrogen 2.780 N/A LYS 1.A NZ ASP 227.A OD2 no hydrogen 3.128 N/A THR 3.A N GLU 6.A OE2 no hydrogen 3.002 N/A TYR 4.A N TYR 257.A OH no hydrogen 3.020 N/A GLU 6.A N THR 3.A OG1 no hydrogen 3.209 N/A ARG 7.A N THR 3.A O no hydrogen 2.927 N/A ARG 7.A NE ASP 194.A OD1 no hydrogen 2.889 N/A ARG 7.A NE ASP 194.A OD2 no hydrogen 3.403 N/A ARG 7.A NH1 ASP 227.A OD1 no hydrogen 2.841 N/A ARG 7.A NH2 ASP 194.A OD1 no hydrogen 2.988 N/A ARG 7.A NH2 ASP 227.A OD2 no hydrogen 3.006 N/A ALA 8.A N TYR 4.A O no hydrogen 2.979 N/A ALA 9.A N LYS 5.A O no hydrogen 3.215 N/A THR 10.A OG1 GLU 6.A O no hydrogen 3.381 N/A ALA 16.A N SER 13.A OG no hydrogen 3.226 N/A ALA 17.A N SER 13.A O no hydrogen 2.878 N/A LYS 18.A N PRO 14.A O no hydrogen 3.076 N/A LEU 19.A N VAL 15.A O no hydrogen 2.969 N/A PHE 20.A N ALA 16.A O no hydrogen 2.907 N/A ASN 21.A N ALA 17.A O no hydrogen 3.043 N/A ILE 22.A N LYS 18.A O no hydrogen 3.017 N/A MET 23.A N LEU 19.A O no hydrogen 2.974 N/A HIS 24.A N PHE 20.A O no hydrogen 3.069 N/A GLU 25.A N ASN 21.A O no hydrogen 2.875 N/A LYS 26.A N ILE 22.A O no hydrogen 2.912 N/A LYS 26.A NZ GLY 50.A O no hydrogen 2.707 N/A LYS 26.A NZ ILE 53.A O no hydrogen 2.792 N/A LYS 26.A NZ TYR 82.A O no hydrogen 2.856 N/A LYS 26.A NZ ASN 83.A O no hydrogen 3.135 N/A GLN 27.A N HIS 24.A O no hydrogen 3.187 N/A THR 28.A N MET 23.A O no hydrogen 3.032 N/A THR 28.A OG1 LYS 52.A O no hydrogen 2.609 N/A ASN 29.A ND2 TYR 4.A OH no hydrogen 3.254 N/A ASN 29.A ND2 GLY 253.A O no hydrogen 3.081 N/A LEU 30.A N THR 28.A OG1 no hydrogen 3.129 N/A CYS 31.A N ILE 229.A O no hydrogen 2.820 N/A CYS 31.A SG LEU 55.A O no hydrogen 3.616 N/A ALA 32.A N LEU 55.A O no hydrogen 3.075 N/A SER 33.A N VAL 231.A O no hydrogen 2.790 N/A LEU 34.A N LYS 57.A O no hydrogen 3.025 N/A ASP 35.A N ASP 35.A OD1 no hydrogen 2.641 N/A THR 39.A N ASP 65.A OD1 no hydrogen 2.934 N/A THR 39.A OG1 ASP 65.A O no hydrogen 3.338 N/A THR 39.A OG1 ASP 65.A OD1 no hydrogen 2.665 N/A THR 39.A OG1 THR 71.A OG1 no hydrogen 2.832 N/A LYS 40.A NZ GLU 44.A OE2 no hydrogen 2.980 N/A GLU 41.A N THR 38.A OG1 no hydrogen 3.341 N/A LEU 42.A N THR 38.A O no hydrogen 3.085 N/A LEU 43.A N THR 39.A O no hydrogen 2.842 N/A GLU 44.A N LYS 40.A O no hydrogen 3.177 N/A LEU 45.A N GLU 41.A O no hydrogen 2.989 N/A VAL 46.A N LEU 42.A O no hydrogen 2.922 N/A GLU 47.A N LEU 43.A O no hydrogen 3.109 N/A ALA 48.A N GLU 44.A O no hydrogen 3.108 N/A LEU 49.A N LEU 45.A O no hydrogen 2.879 N/A GLY 50.A N VAL 46.A O no hydrogen 2.696 N/A LYS 52.A N LEU 49.A O no hydrogen 2.821 N/A LYS 52.A NZ GLU 247.A OE1 no hydrogen 2.770 N/A CYS 54.A N LEU 30.A O no hydrogen 3.012 N/A CYS 54.A SG LEU 30.A O no hydrogen 3.553 N/A LEU 56.A N LEU 85.A O no hydrogen 2.922 N/A LYS 57.A N ALA 32.A O no hydrogen 2.752 N/A LYS 57.A NZ SER 33.A OG no hydrogen 3.057 N/A LYS 57.A NZ ASP 89.A OD1 no hydrogen 3.011 N/A THR 58.A N PHE 87.A O no hydrogen 2.884 N/A THR 58.A OG1 GLU 88.A OE1 no hydrogen 2.674 N/A VAL 60.A N GLU 88.A OE1 no hydrogen 3.186 N/A ILE 62.A N HIS 59.A O no hydrogen 3.171 N/A LEU 63.A N VAL 60.A O no hydrogen 3.128 N/A THR 64.A N ARG 37.A O no hydrogen 2.695 N/A THR 64.A OG1 ARG 37.A O no hydrogen 3.225 N/A SER 67.A N THR 71.A OG1 no hydrogen 3.115 N/A THR 71.A N SER 67.A O no hydrogen 2.673 N/A THR 71.A OG1 THR 39.A OG1 no hydrogen 2.832 N/A VAL 72.A N SER 67.A O no hydrogen 3.313 N/A LYS 73.A N MET 68.A O no hydrogen 2.966 N/A LEU 75.A N THR 71.A O no hydrogen 3.233 N/A LYS 76.A N VAL 72.A O no hydrogen 2.942 N/A LYS 76.A NZ TRP 113.A O no hydrogen 3.041 N/A ALA 77.A N LYS 73.A O no hydrogen 3.110 N/A LEU 78.A N PRO 74.A O no hydrogen 2.918 N/A SER 79.A N LEU 75.A O no hydrogen 2.872 N/A SER 79.A OG PHE 84.A O no hydrogen 2.649 N/A ALA 80.A N LYS 76.A O no hydrogen 2.894 N/A LYS 81.A N ALA 77.A O no hydrogen 2.799 N/A LYS 81.A NZ GLU 47.A OE2 no hydrogen 3.471 N/A LYS 81.A NZ TYR 82.A OH no hydrogen 3.443 N/A TYR 82.A N LEU 78.A O no hydrogen 2.853 N/A TYR 82.A OH GLU 47.A OE2 no hydrogen 2.636 N/A PHE 84.A N SER 79.A O no hydrogen 3.206 N/A LEU 85.A N CYS 54.A O no hydrogen 3.292 N/A LEU 86.A N ASP 115.A OD2 no hydrogen 2.734 N/A PHE 87.A N LEU 56.A O no hydrogen 2.827 N/A GLU 88.A N ILE 116.A O no hydrogen 3.109 N/A ASP 89.A N THR 58.A O no hydrogen 2.881 N/A ARG 90.A N GLU 88.A OE2 no hydrogen 2.763 N/A ARG 90.A NE ASP 61.A OD1 no hydrogen 3.364 N/A ARG 90.A NE ASP 61.A OD2 no hydrogen 2.647 N/A ARG 90.A NH1 ASP 61.A OD1 no hydrogen 2.881 N/A LYS 91.A NZ ASP 89.A OD1 no hydrogen 3.342 N/A LYS 91.A NZ ASP 89.A OD2 no hydrogen 2.953 N/A PHE 92.A N ARG 90.A O no hydrogen 3.144 N/A PHE 92.A N ASN 118.A O no hydrogen 3.367 N/A ILE 95.A N ASP 94.A OD1 no hydrogen 2.686 N/A VAL 99.A N ILE 95.A O no hydrogen 3.261 N/A LYS 100.A N GLY 96.A O no hydrogen 2.969 N/A LYS 100.A NZ GLU 137.A OE1 no hydrogen 2.974 N/A LEU 101.A N ASN 97.A O no hydrogen 2.992 N/A GLN 102.A N THR 98.A O no hydrogen 2.935 N/A TYR 103.A N VAL 99.A O no hydrogen 3.081 N/A SER 104.A N LYS 100.A O no hydrogen 2.827 N/A SER 104.A OG LYS 100.A O no hydrogen 3.006 N/A ALA 105.A N LEU 101.A O no hydrogen 2.895 N/A ARG 109.A N ALA 105.A O no hydrogen 2.995 N/A ARG 109.A NE GLU 112.A OE1 no hydrogen 2.864 N/A ARG 109.A NE GLU 112.A OE2 no hydrogen 2.957 N/A ARG 109.A NH2 GLU 112.A OE2 no hydrogen 2.737 N/A ALA 111.A N TYR 103.A O no hydrogen 2.778 N/A GLU 112.A N ARG 109.A O no hydrogen 2.951 N/A TRP 113.A N ILE 110.A O no hydrogen 3.014 N/A TRP 113.A NE1 TYR 108.A O no hydrogen 2.806 N/A ALA 114.A N ILE 110.A O no hydrogen 2.938 N/A ILE 116.A N LEU 86.A O no hydrogen 2.906 N/A THR 117.A N GLY 144.A O no hydrogen 3.146 N/A ALA 119.A N LEU 146.A O no hydrogen 2.899 N/A HIS 120.A N PHE 92.A O no hydrogen 2.974 N/A VAL 122.A N TYR 162.A OH no hydrogen 2.904 N/A GLY 124.A N GLY 121.A O no hydrogen 2.746 N/A ILE 127.A N GLY 124.A O no hydrogen 3.151 N/A VAL 128.A N PRO 125.A O no hydrogen 2.926 N/A SER 129.A N PRO 125.A O no hydrogen 3.156 N/A SER 129.A OG GLY 126.A O no hydrogen 3.250 N/A GLY 130.A N GLY 126.A O no hydrogen 3.013 N/A LEU 131.A N ILE 127.A O no hydrogen 3.080 N/A LYS 132.A N VAL 128.A O no hydrogen 2.884 N/A LYS 132.A NZ ASP 173.A OD1 no hydrogen 3.404 N/A LYS 132.A NZ ASP 173.A OD2 no hydrogen 3.125 N/A GLN 133.A N SER 129.A O no hydrogen 3.074 N/A ALA 134.A N GLY 130.A O no hydrogen 3.132 N/A ALA 135.A N LEU 131.A O no hydrogen 2.964 N/A GLU 136.A N LYS 132.A O no hydrogen 3.243 N/A GLU 137.A N GLN 133.A O no hydrogen 3.092 N/A VAL 138.A N ALA 134.A O no hydrogen 2.810 N/A THR 139.A N ALA 135.A O no hydrogen 3.156 N/A LYS 140.A NZ GLU 141.A OE2 no hydrogen 2.536 N/A GLU 141.A N THR 139.A OG1 no hydrogen 2.889 N/A ARG 143.A NE ALA 111.A O no hydrogen 2.821 N/A ARG 143.A NH1 PRO 142.A O no hydrogen 2.893 N/A ARG 143.A NH2 ALA 111.A O no hydrogen 3.118 N/A GLY 144.A N ASP 115.A O no hydrogen 2.866 N/A LEU 145.A N PHE 176.A O no hydrogen 2.809 N/A LEU 146.A N THR 117.A O no hydrogen 2.822 N/A MET 147.A N GLY 179.A O no hydrogen 3.063 N/A LEU 148.A N ALA 119.A O no hydrogen 2.847 N/A ALA 149.A N MET 147.A O no hydrogen 2.853 N/A GLU 150.A N ILE 181.A O no hydrogen 3.270 N/A SER 156.A N CYS 153.A O no hydrogen 3.306 N/A SER 156.A OG CYS 153.A O no hydrogen 3.330 N/A TYR 162.A N THR 159.A OG1 no hydrogen 3.379 N/A THR 163.A N THR 159.A O no hydrogen 2.835 N/A THR 163.A OG1 ALA 149.A O no hydrogen 2.857 N/A THR 163.A OG1 ALA 158.A O no hydrogen 3.422 N/A THR 163.A OG1 THR 159.A O no hydrogen 2.959 N/A LYS 164.A N GLY 160.A O no hydrogen 2.969 N/A LYS 164.A NZ GLU 161.A OE1 no hydrogen 3.047 N/A GLY 165.A N GLU 161.A O no hydrogen 2.922 N/A THR 166.A N TYR 162.A O no hydrogen 2.940 N/A THR 166.A OG1 TYR 162.A O no hydrogen 2.964 N/A VAL 167.A N THR 163.A O no hydrogen 2.897 N/A ASP 168.A N LYS 164.A O no hydrogen 2.976 N/A ILE 169.A N GLY 165.A O no hydrogen 3.096 N/A ALA 170.A N THR 166.A O no hydrogen 2.971 N/A LYS 171.A N VAL 167.A O no hydrogen 3.130 N/A LYS 171.A NZ GLU 191.A OE1 no hydrogen 2.633 N/A LYS 171.A NZ GLU 191.A OE2 no hydrogen 3.176 N/A SER 172.A N ILE 169.A O no hydrogen 3.009 N/A SER 172.A OG ILE 169.A O no hydrogen 2.711 N/A ASP 173.A N ALA 170.A O no hydrogen 3.229 N/A LYS 174.A NZ GLY 192.A O no hydrogen 3.457 N/A ASP 175.A N ASP 173.A OD1 no hydrogen 3.227 N/A PHE 176.A N ASP 173.A O no hydrogen 3.350 N/A PHE 176.A N ASP 173.A OD1 no hydrogen 3.082 N/A VAL 177.A N ASP 173.A O no hydrogen 2.942 N/A ILE 178.A N LEU 145.A O no hydrogen 2.980 N/A PHE 180.A N LEU 196.A O no hydrogen 2.854 N/A ILE 181.A N MET 147.A O no hydrogen 3.076 N/A ALA 182.A N MET 198.A O no hydrogen 3.085 N/A GLN 183.A N GLU 150.A OE1 no hydrogen 2.778 N/A GLN 183.A NE2 PRO 200.A O no hydrogen 3.148 N/A ARG 184.A NE GLU 150.A OE2 no hydrogen 2.747 N/A ASP 185.A N THR 224.A O no hydrogen 3.400 N/A GLY 187.A N ASP 185.A OD2 no hydrogen 2.897 N/A ARG 189.A NH1 ASP 185.A OD1 no hydrogen 2.836 N/A ARG 189.A NH1 ASP 185.A OD2 no hydrogen 3.557 N/A ARG 189.A NH2 ASP 185.A OD1 no hydrogen 3.489 N/A ARG 189.A NH2 ASP 185.A OD2 no hydrogen 2.944 N/A GLU 191.A N GLY 188.A O no hydrogen 3.244 N/A GLY 192.A N ARG 189.A O no hydrogen 3.049 N/A TYR 193.A N GLY 188.A O no hydrogen 2.839 N/A TYR 193.A OH LYS 171.A O no hydrogen 2.901 N/A LEU 196.A N ILE 178.A O no hydrogen 2.914 N/A ILE 197.A N ASP 227.A OD2 no hydrogen 2.931 N/A MET 198.A N PHE 180.A O no hydrogen 2.944 N/A THR 199.A N ILE 228.A O no hydrogen 2.944 N/A THR 199.A OG1 ALA 182.A O no hydrogen 2.659 N/A THR 199.A OG1 SER 226.A OG no hydrogen 2.621 N/A GLY 203.A N ARG 216.A O no hydrogen 2.745 N/A ASP 209.A N ASP 206.A O no hydrogen 2.985 N/A GLY 212.A N ASP 209.A OD1 no hydrogen 2.945 N/A GLN 213.A N ASP 209.A O no hydrogen 2.951 N/A GLN 213.A NE2 ASP 206.A O no hydrogen 3.007 N/A GLN 214.A N LEU 211.A O no hydrogen 3.191 N/A TYR 215.A N GLY 212.A O no hydrogen 3.185 N/A ARG 216.A N GLY 201.A O no hydrogen 3.326 N/A ARG 216.A NE ASP 220.A OD1 no hydrogen 3.087 N/A ARG 216.A NH1 GLN 183.A O no hydrogen 2.903 N/A ARG 216.A NH1 GLN 183.A OE1 no hydrogen 3.174 N/A ARG 216.A NH2 ASP 220.A OD2 no hydrogen 3.237 N/A ARG 216.A NH2 THR 224.A OG1 no hydrogen 3.315 N/A VAL 218.A N GLY 203.A O no hydrogen 3.053 N/A ASP 220.A N THR 217.A OG1 no hydrogen 3.068 N/A VAL 221.A N THR 217.A O no hydrogen 3.101 N/A VAL 222.A N VAL 218.A O no hydrogen 2.928 N/A SER 223.A N ASP 219.A O no hydrogen 2.942 N/A SER 223.A OG ASP 219.A O no hydrogen 2.627 N/A THR 224.A N ASP 220.A O no hydrogen 3.241 N/A THR 224.A N VAL 221.A O no hydrogen 3.094 N/A THR 224.A OG1 ASP 220.A O no hydrogen 3.279 N/A THR 224.A OG1 VAL 221.A O no hydrogen 2.998 N/A GLY 225.A N VAL 222.A O no hydrogen 3.265 N/A SER 226.A N VAL 221.A O no hydrogen 3.085 N/A SER 226.A OG THR 199.A OG1 no hydrogen 2.621 N/A SER 226.A OG VAL 221.A O no hydrogen 3.182 N/A ASP 227.A N ILE 197.A O no hydrogen 2.762 N/A ILE 228.A N ILE 197.A O no hydrogen 3.066 N/A ILE 229.A N ASN 29.A O no hydrogen 2.953 N/A ILE 230.A N THR 199.A O no hydrogen 2.880 N/A VAL 231.A N CYS 31.A O no hydrogen 2.943 N/A ARG 233.A NH2 ASP 35.A O no hydrogen 3.255 N/A LEU 235.A N GLY 232.A O no hydrogen 2.894 N/A PHE 236.A N ARG 233.A O no hydrogen 3.156 N/A ALA 237.A N ARG 233.A O no hydrogen 2.883 N/A ARG 240.A N ALA 237.A O no hydrogen 3.001 N/A ARG 240.A NH1 ALA 237.A O no hydrogen 2.864 N/A LYS 243.A N ASP 241.A OD2 no hydrogen 3.283 N/A LYS 243.A NZ ALA 48.A O no hydrogen 2.824 N/A GLU 245.A N ASP 241.A O no hydrogen 2.911 N/A GLY 246.A N ALA 242.A O no hydrogen 2.713 N/A GLU 247.A N LYS 243.A O no hydrogen 3.193 N/A ARG 248.A N VAL 244.A O no hydrogen 3.030 N/A ARG 248.A NE GLU 245.A OE1 no hydrogen 3.100 N/A ARG 248.A NH1 ASP 206.A OD2 no hydrogen 2.986 N/A ARG 248.A NH1 GLU 245.A OE1 no hydrogen 2.788 N/A ARG 248.A NH2 ASP 206.A OD1 no hydrogen 2.550 N/A ARG 248.A NH2 ASP 206.A OD2 no hydrogen 3.565 N/A TYR 249.A N GLU 245.A O no hydrogen 2.916 N/A ARG 250.A N GLY 246.A O no hydrogen 2.893 N/A ARG 250.A NE GLU 247.A OE1 no hydrogen 2.931 N/A ARG 250.A NH1 GLN 27.A O no hydrogen 2.847 N/A ARG 250.A NH2 GLU 247.A OE2 no hydrogen 2.663 N/A LYS 251.A N GLU 247.A O no hydrogen 2.746 N/A LYS 251.A NZ GLU 255.A OE2 no hydrogen 3.221 N/A ALA 252.A N ARG 248.A O no hydrogen 2.919 N/A GLY 253.A N TYR 249.A O no hydrogen 2.808 N/A TRP 254.A N ARG 250.A O no hydrogen 2.801 N/A GLU 255.A N LYS 251.A O no hydrogen 2.969 N/A ALA 256.A N ALA 252.A O no hydrogen 3.080 N/A TYR 257.A N GLY 253.A O no hydrogen 3.060 N/A LEU 258.A N TRP 254.A O no hydrogen 2.901 N/A ARG 259.A N GLU 255.A O no hydrogen 2.955 N/A ARG 259.A NH1 ASP 219.A OD2 no hydrogen 3.055 N/A ARG 260.A N ALA 256.A O no hydrogen 3.030 N/A ARG 260.A N TYR 257.A O no hydrogen 3.077 N/A ARG 260.A NH1 VAL 222.A O no hydrogen 3.064 N/A ARG 260.A NH1 SER 226.A O no hydrogen 2.860 N/A ARG 260.A NH2 ASP 227.A OD1 no hydrogen 3.514 N/A