Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3zcg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ GLU 243.A O no hydrogen 2.791 N/A LYS 2.A NZ PHE 246.A O no hydrogen 2.750 N/A LYS 2.A NZ ASP 248.A O no hydrogen 2.879 N/A SER 3.A N ALA 247.A O no hydrogen 2.912 N/A TYR 4.A OH GLU 243.A OE1 no hydrogen 2.648 N/A TYR 4.A OH GLU 243.A OE2 no hydrogen 3.330 N/A TYR 11.A N SER 8.A OG no hydrogen 3.066 N/A TYR 11.A OH ASP 94.A OD2 no hydrogen 2.547 N/A GLN 12.A N SER 8.A O no hydrogen 3.027 N/A GLN 12.A NE2 VAL 7.A O no hydrogen 3.059 N/A LYS 13.A N ALA 9.A O no hydrogen 2.860 N/A LYS 13.A NZ ASP 10.A OD1 no hydrogen 3.483 N/A ALA 14.A N ASP 10.A O no hydrogen 3.047 N/A VAL 15.A N TYR 11.A O no hydrogen 2.957 N/A GLU 16.A N GLN 12.A O no hydrogen 3.102 N/A LYS 17.A N LYS 13.A O no hydrogen 3.026 N/A ALA 18.A N ALA 14.A O no hydrogen 2.820 N/A LYS 19.A N VAL 15.A O no hydrogen 2.913 N/A LYS 20.A N GLU 16.A O no hydrogen 3.275 N/A LYS 21.A N LYS 17.A O no hydrogen 3.027 N/A LYS 21.A NZ GLU 86.A OE1 no hydrogen 2.882 N/A LEU 22.A N ALA 18.A O no hydrogen 2.769 N/A ARG 23.A N LYS 19.A O no hydrogen 3.027 N/A ARG 23.A NE GLU 105.A OE1 no hydrogen 2.651 N/A ARG 23.A NH2 GLU 105.A OE1 no hydrogen 3.248 N/A ARG 23.A NH2 GLU 105.A OE2 no hydrogen 3.209 N/A GLY 24.A N LYS 20.A O no hydrogen 3.242 N/A PHE 25.A N LYS 21.A O no hydrogen 2.970 N/A ILE 26.A N LEU 22.A O no hydrogen 2.868 N/A ALA 27.A N ARG 23.A O no hydrogen 2.984 N/A GLU 28.A N GLY 24.A O no hydrogen 2.971 N/A LYS 29.A N PHE 25.A O no hydrogen 2.912 N/A ARG 30.A N ALA 27.A O no hydrogen 3.364 N/A CYS 31.A N ILE 26.A O no hydrogen 3.355 N/A MET 35.A N CYS 31.A O no hydrogen 3.002 N/A LEU 36.A N ALA 32.A O no hydrogen 2.881 N/A ARG 37.A N PRO 33.A O no hydrogen 2.911 N/A ARG 37.A NH1 ASN 71.A O no hydrogen 2.912 N/A ARG 37.A NH2 ALA 69.A O no hydrogen 2.954 N/A ARG 37.A NH2 ASN 71.A O no hydrogen 2.828 N/A LEU 38.A N LEU 34.A O no hydrogen 2.920 N/A ALA 39.A N MET 35.A O no hydrogen 3.022 N/A ALA 40.A N LEU 36.A O no hydrogen 2.949 N/A CYS 41.A N ARG 37.A O no hydrogen 2.797 N/A CYS 41.A SG ARG 37.A O no hydrogen 3.332 N/A CYS 41.A SG ASN 70.A OD1 no hydrogen 3.502 N/A SER 42.A N LEU 38.A O no hydrogen 3.020 N/A SER 42.A OG LEU 38.A O no hydrogen 2.732 N/A ALA 43.A N ALA 39.A O no hydrogen 3.069 N/A GLY 44.A N ALA 40.A O no hydrogen 2.830 N/A THR 45.A OG1 SER 42.A O no hydrogen 3.352 N/A PHE 46.A N ALA 43.A O no hydrogen 3.306 N/A ASP 47.A N THR 52.A O no hydrogen 2.915 N/A LYS 48.A N ALA 147.A O no hydrogen 2.725 N/A LYS 48.A NZ GLY 145.A O no hydrogen 2.933 N/A THR 50.A N ASP 47.A OD2 no hydrogen 3.044 N/A THR 50.A OG1 ASP 47.A OD2 no hydrogen 2.745 N/A THR 50.A OG1 THR 52.A OG1 no hydrogen 2.611 N/A THR 52.A N ASP 47.A O no hydrogen 3.375 N/A THR 52.A OG1 THR 50.A OG1 no hydrogen 2.611 N/A GLY 54.A N THR 45.A OG1 no hydrogen 2.890 N/A PHE 56.A N GLY 54.A O no hydrogen 2.855 N/A THR 58.A OG1 GLU 64.A OE1 no hydrogen 2.586 N/A LYS 60.A NZ GLY 57.A O no hydrogen 2.947 N/A HIS 61.A N THR 58.A O no hydrogen 3.035 N/A GLU 64.A N HIS 61.A O no hydrogen 3.047 N/A LEU 65.A N HIS 61.A O no hydrogen 3.008 N/A ALA 66.A N PRO 62.A O no hydrogen 3.010 N/A HIS 67.A N GLU 64.A O no hydrogen 3.122 N/A SER 68.A N GLU 127.A OE2 no hydrogen 3.105 N/A SER 68.A OG GLU 127.A OE2 no hydrogen 3.312 N/A ASN 70.A N HIS 67.A O no hydrogen 2.846 N/A ASN 70.A ND2 GLU 64.A O no hydrogen 2.971 N/A ASN 71.A N SER 68.A O no hydrogen 3.277 N/A LEU 73.A N ASN 70.A O no hydrogen 2.987 N/A ILE 75.A N GLY 72.A O no hydrogen 3.033 N/A VAL 77.A N LEU 73.A O no hydrogen 3.047 N/A ARG 78.A N ASP 74.A O no hydrogen 2.991 N/A LEU 79.A N ILE 75.A O no hydrogen 2.834 N/A LEU 80.A N ALA 76.A O no hydrogen 3.118 N/A LEU 80.A N VAL 77.A O no hydrogen 3.234 N/A GLU 81.A N ARG 78.A O no hydrogen 3.336 N/A LYS 84.A N LEU 80.A O no hydrogen 2.867 N/A LYS 84.A NZ LYS 84.A O no hydrogen 3.497 N/A LYS 84.A NZ PHE 87.A O no hydrogen 2.948 N/A LYS 84.A NZ LEU 90.A O no hydrogen 2.911 N/A ALA 85.A N GLU 81.A O no hydrogen 3.014 N/A GLU 86.A N LEU 83.A O no hydrogen 2.952 N/A PHE 87.A N LYS 84.A O no hydrogen 2.832 N/A LEU 90.A N PHE 87.A O no hydrogen 3.124 N/A SER 91.A N TYR 11.A OH no hydrogen 3.155 N/A SER 91.A OG ARG 118.A O no hydrogen 2.759 N/A TYR 92.A N ASP 120.A OD2 no hydrogen 2.898 N/A TYR 92.A OH GLU 81.A OE2 no hydrogen 2.608 N/A ALA 93.A N ASP 120.A OD1 no hydrogen 2.819 N/A ASP 94.A N SER 91.A OG no hydrogen 2.991 N/A PHE 95.A N SER 91.A O no hydrogen 2.952 N/A TYR 96.A N TYR 92.A O no hydrogen 2.904 N/A GLN 97.A N ALA 93.A O no hydrogen 3.276 N/A GLN 97.A NE2 ALA 39.A O no hydrogen 3.063 N/A LEU 98.A N ASP 94.A O no hydrogen 2.828 N/A ALA 99.A N PHE 95.A O no hydrogen 2.920 N/A GLY 100.A N TYR 96.A O no hydrogen 3.085 N/A VAL 101.A N GLN 97.A O no hydrogen 3.020 N/A VAL 102.A N LEU 98.A O no hydrogen 2.870 N/A ALA 103.A N ALA 99.A O no hydrogen 2.836 N/A VAL 104.A N GLY 100.A O no hydrogen 3.278 N/A GLU 105.A N VAL 101.A O no hydrogen 3.080 N/A VAL 106.A N VAL 102.A O no hydrogen 2.824 N/A THR 107.A OG1 ALA 103.A O no hydrogen 2.941 N/A THR 107.A OG1 VAL 104.A O no hydrogen 3.129 N/A GLY 108.A N GLU 105.A O no hydrogen 2.942 N/A GLY 109.A N VAL 104.A O no hydrogen 2.805 N/A GLY 117.A N ASP 94.A OD2 no hydrogen 2.771 N/A ARG 118.A N ASP 94.A OD1 no hydrogen 2.977 N/A ARG 118.A NE SER 242.A O no hydrogen 3.018 N/A ARG 118.A NH1 ASP 94.A OD1 no hydrogen 2.893 N/A ARG 118.A NH1 HIS 115.A O no hydrogen 2.854 N/A ARG 118.A NH2 SER 242.A O no hydrogen 2.980 N/A LYS 121.A N PHE 56.A O no hydrogen 3.006 N/A ARG 129.A NH1 THR 45.A O no hydrogen 2.861 N/A ARG 129.A NH1 THR 52.A O no hydrogen 3.269 N/A ARG 129.A NH1 THR 52.A OG1 no hydrogen 2.957 N/A ARG 129.A NH2 THR 52.A OG1 no hydrogen 2.859 N/A ASP 132.A N HIS 139.A NE2 no hydrogen 2.860 N/A THR 134.A N ASP 132.A OD1 no hydrogen 2.900 N/A THR 134.A OG1 ASP 132.A OD1 no hydrogen 2.672 N/A LYS 135.A N ASP 132.A O no hydrogen 3.044 N/A LEU 140.A N GLY 136.A O no hydrogen 2.977 N/A ARG 141.A N SER 137.A O no hydrogen 2.986 N/A ARG 141.A NE ASP 152.A OD1 no hydrogen 3.214 N/A ARG 141.A NE ASP 152.A OD2 no hydrogen 3.081 N/A ARG 141.A NH1 ASP 213.A OD1 no hydrogen 2.930 N/A ARG 141.A NH2 ASP 152.A OD2 no hydrogen 2.915 N/A ARG 141.A NH2 ASP 213.A OD1 no hydrogen 3.449 N/A ARG 141.A NH2 ASP 213.A OD2 no hydrogen 2.886 N/A ASP 142.A N ASP 138.A O no hydrogen 3.000 N/A VAL 143.A N HIS 139.A O no hydrogen 3.016 N/A PHE 144.A N LEU 140.A O no hydrogen 2.861 N/A GLY 145.A N ARG 141.A O no hydrogen 2.872 N/A LYS 146.A N ARG 141.A O no hydrogen 2.943 N/A ALA 147.A N ASP 142.A O no hydrogen 3.044 N/A MET 148.A N VAL 143.A O no hydrogen 3.015 N/A LEU 150.A N PHE 144.A O no hydrogen 2.762 N/A THR 151.A N ASP 154.A OD2 no hydrogen 2.957 N/A ASP 154.A N THR 151.A OG1 no hydrogen 3.074 N/A ILE 155.A N THR 151.A O no hydrogen 3.027 N/A VAL 156.A N ASP 152.A O no hydrogen 3.267 N/A ALA 157.A N GLN 153.A O no hydrogen 3.002 N/A LEU 158.A N ASP 154.A O no hydrogen 2.840 N/A SER 159.A N ILE 155.A O no hydrogen 3.071 N/A SER 159.A OG ILE 155.A O no hydrogen 2.800 N/A GLY 160.A N ALA 157.A O no hydrogen 2.988 N/A GLY 161.A N LEU 158.A O no hydrogen 2.863 N/A HIS 162.A N SER 159.A O no hydrogen 3.118 N/A HIS 162.A ND1 ASP 207.A OD1 no hydrogen 3.225 N/A THR 163.A N GLY 160.A O no hydrogen 2.911 N/A THR 163.A OG1 ASP 186.A O no hydrogen 2.789 N/A THR 163.A OG1 ASP 186.A OD1 no hydrogen 3.022 N/A ILE 164.A N GLY 161.A O no hydrogen 3.264 N/A GLY 165.A N PRO 182.A O no hydrogen 2.864 N/A ALA 167.A N GLY 176.A O no hydrogen 2.962 N/A LYS 169.A N GLU 175.A OE1 no hydrogen 2.858 N/A GLU 170.A N GLU 170.A OE1 no hydrogen 2.784 N/A ARG 171.A N HIS 168.A O no hydrogen 2.842 N/A GLY 173.A N HIS 168.A O no hydrogen 3.178 N/A PHE 174.A N SER 172.A OG no hydrogen 3.105 N/A GLY 176.A N ALA 167.A O no hydrogen 2.940 N/A TRP 178.A NE1 ASP 207.A OD2 no hydrogen 2.804 N/A THR 179.A OG1 THR 163.A O no hydrogen 3.047 N/A THR 179.A OG1 ASN 181.A OD1 no hydrogen 3.402 N/A ASN 181.A ND2 ASP 186.A OD2 no hydrogen 2.975 N/A ILE 184.A N ASN 181.A O no hydrogen 2.979 N/A PHE 185.A N THR 107.A O no hydrogen 2.835 N/A ASN 187.A N GLU 227.A OE1 no hydrogen 2.936 N/A ASN 187.A ND2 TYR 223.A O no hydrogen 2.874 N/A SER 188.A N ASP 186.A OD1 no hydrogen 2.992 N/A SER 188.A OG.A ASN 181.A OD1 no hydrogen 3.232 N/A SER 188.A OG.A ASP 186.A OD1 no hydrogen 2.647 N/A SER 188.A OG.B ASP 186.A OD1 no hydrogen 3.125 N/A SER 188.A OG.B ASP 186.A OD2 no hydrogen 2.804 N/A TYR 189.A OH ASP 207.A OD1 no hydrogen 2.631 N/A PHE 190.A N ASN 187.A O no hydrogen 3.028 N/A THR 191.A N ASN 187.A O no hydrogen 3.429 N/A THR 191.A OG1 SER 188.A O no hydrogen 3.030 N/A GLU 192.A N SER 188.A O no hydrogen 2.843 N/A LEU 193.A N TYR 189.A O no hydrogen 3.000 N/A LEU 194.A N PHE 190.A O no hydrogen 3.042 N/A SER 195.A N THR 191.A O no hydrogen 3.188 N/A SER 195.A N GLU 192.A O no hydrogen 3.261 N/A SER 195.A OG THR 191.A O no hydrogen 3.566 N/A SER 195.A OG GLU 192.A O no hydrogen 3.143 N/A LEU 201.A N LYS 198.A O no hydrogen 3.081 N/A LEU 202.A N PRO 177.A O no hydrogen 2.809 N/A GLN 203.A NE2 LEU 193.A O no hydrogen 3.573 N/A LEU 204.A N ASP 207.A OD2 no hydrogen 2.790 N/A SER 206.A N ALA 133.A O no hydrogen 2.984 N/A SER 206.A OG ALA 133.A O no hydrogen 3.560 N/A ASP 207.A N LEU 204.A O no hydrogen 2.945 N/A LYS 208.A N LEU 204.A O no hydrogen 3.046 N/A LYS 208.A NZ GLU 197.A OE2 no hydrogen 2.636 N/A ALA 209.A N PRO 205.A O no hydrogen 2.995 N/A LEU 210.A N ASP 207.A O no hydrogen 3.109 N/A LEU 211.A N LYS 208.A O no hydrogen 2.948 N/A SER 212.A N ALA 209.A O no hydrogen 3.386 N/A SER 212.A OG ALA 209.A O no hydrogen 3.517 N/A VAL 215.A N ASP 213.A OD2 no hydrogen 2.868 N/A PHE 216.A N ASP 213.A OD2 no hydrogen 2.874 N/A ARG 217.A N ASP 213.A O no hydrogen 2.932 N/A ARG 217.A NE ASP 221.A OD1 no hydrogen 2.933 N/A ARG 217.A NH1 LEU 211.A O no hydrogen 3.165 N/A VAL 220.A N PHE 216.A O no hydrogen 3.036 N/A ASP 221.A N ARG 217.A O no hydrogen 2.920 N/A LYS 222.A N PRO 218.A O no hydrogen 2.938 N/A LYS 222.A NZ ASP 233.A OD2 no hydrogen 3.035 N/A TYR 223.A N LEU 219.A O no hydrogen 2.867 N/A TYR 223.A OH ASP 233.A OD2 no hydrogen 2.614 N/A ALA 224.A N VAL 220.A O no hydrogen 2.936 N/A ALA 225.A N ASP 221.A O no hydrogen 3.128 N/A ALA 225.A N LYS 222.A O no hydrogen 3.191 N/A ALA 229.A N ASP 226.A OD1 no hydrogen 3.111 N/A PHE 230.A N ASP 226.A O no hydrogen 3.135 N/A PHE 231.A N GLU 227.A O no hydrogen 2.834 N/A ALA 232.A N ASP 228.A O no hydrogen 3.042 N/A ASP 233.A N ALA 229.A O no hydrogen 3.061 N/A TYR 234.A N PHE 230.A O no hydrogen 2.709 N/A TYR 234.A OH HIS 238.A ND1 no hydrogen 2.835 N/A ALA 235.A N PHE 231.A O no hydrogen 2.949 N/A GLU 236.A N ALA 232.A O no hydrogen 3.187 N/A ALA 237.A N ASP 233.A O no hydrogen 2.991 N/A HIS 238.A N TYR 234.A O no hydrogen 2.778 N/A HIS 238.A ND1 TYR 234.A OH no hydrogen 2.835 N/A GLN 239.A N ALA 235.A O no hydrogen 3.035 N/A GLN 239.A NE2 GLU 243.A OE2 no hydrogen 3.180 N/A LYS 240.A N GLU 236.A O no hydrogen 3.124 N/A LYS 240.A NZ ASP 154.A OD2 no hydrogen 2.765 N/A LEU 241.A N ALA 237.A O no hydrogen 2.863 N/A SER 242.A N HIS 238.A O no hydrogen 2.846 N/A SER 242.A OG HIS 238.A O no hydrogen 3.355 N/A SER 242.A OG GLN 239.A O no hydrogen 2.768 N/A GLU 243.A N LYS 240.A O no hydrogen 3.104 N/A LEU 244.A N LEU 241.A O no hydrogen 3.264 N/A GLY 245.A N ALA 249.A O no hydrogen 2.901 N/A PHE 246.A N GLU 243.A O no hydrogen 2.936 N/A