Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5gru_H.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A N SER 24.A O no hydrogen 2.925 N/A VAL 4.A N ALA 22.A O no hydrogen 2.943 N/A GLU 5.A N GLU 5.A OE1 no hydrogen 2.811 N/A SER 6.A N SER 20.A O no hydrogen 3.018 N/A GLY 8.A N THR 122.A OG1 no hydrogen 3.043 N/A VAL 11.A N THR 125.A O no hydrogen 2.872 N/A GLY 14.A N LEU 85.A O no hydrogen 2.567 N/A GLY 15.A N GLN 12.A O no hydrogen 2.866 N/A SER 16.A OG ASN 83.A OD1 no hydrogen 2.797 N/A LEU 17.A N MET 82.A O no hydrogen 3.038 N/A LEU 19.A N LEU 80.A O no hydrogen 2.891 N/A SER 20.A N SER 6.A O no hydrogen 2.974 N/A CYS 21.A N ALA 78.A O no hydrogen 2.844 N/A ALA 22.A N VAL 4.A O no hydrogen 2.933 N/A ALA 23.A N ASN 76.A O no hydrogen 2.920 N/A SER 24.A N GLN 2.A O no hydrogen 3.020 N/A SER 29.A OG ASN 27.A OD1 no hydrogen 2.376 N/A SER 30.A N ASN 27.A O no hydrogen 3.394 N/A SER 30.A OG ASN 27.A O no hydrogen 3.437 N/A SER 31.A N PHE 28.A O no hydrogen 2.998 N/A SER 32.A OG HIS 34.A NE2 no hydrogen 2.930 N/A SER 32.A OG GLY 98.A O no hydrogen 2.888 N/A ILE 33.A N ILE 50.A O no hydrogen 2.956 N/A HIS 34.A N ALA 96.A O no hydrogen 2.759 N/A HIS 34.A NE2 SER 32.A OG no hydrogen 2.930 N/A TRP 35.A N ALA 48.A O no hydrogen 2.883 N/A VAL 36.A N TYR 94.A O no hydrogen 2.755 N/A ARG 37.A N GLU 45.A O no hydrogen 2.767 N/A ARG 37.A NE GLU 45.A OE1 no hydrogen 2.858 N/A ARG 37.A NH1 ASP 89.A OD1 no hydrogen 2.844 N/A ARG 37.A NH1 TYR 93.A OH no hydrogen 2.821 N/A ARG 37.A NH2 GLU 45.A OE1 no hydrogen 3.129 N/A GLN 38.A N VAL 92.A O no hydrogen 2.945 N/A GLN 38.A NE2 LYS 42.A O no hydrogen 2.983 N/A LYS 42.A N ALA 39.A O no hydrogen 2.895 N/A GLU 45.A N ARG 37.A O no hydrogen 2.753 N/A TRP 46.A NE1 HIS 34.A ND1 no hydrogen 3.018 N/A VAL 47.A N TRP 35.A O no hydrogen 2.965 N/A ALA 48.A N TRP 35.A O no hydrogen 3.405 N/A SER 49.A N SER 58.A O no hydrogen 3.038 N/A ILE 50.A N ILE 33.A O no hydrogen 2.929 N/A SER 51.A N SER 56.A O no hydrogen 2.957 N/A SER 51.A OG SER 54.A OG no hydrogen 3.239 N/A SER 52.A N SER 31.A O no hydrogen 3.032 N/A SER 52.A OG PHE 28.A O no hydrogen 3.202 N/A SER 52.A OG SER 31.A O no hydrogen 3.542 N/A SER 54.A N SER 51.A OG no hydrogen 3.303 N/A SER 54.A OG SER 51.A OG no hydrogen 3.239 N/A GLY 55.A N SER 51.A O no hydrogen 2.803 N/A SER 56.A N SER 54.A OG no hydrogen 3.074 N/A SER 56.A OG SER 54.A OG no hydrogen 3.337 N/A SER 58.A N SER 49.A O no hydrogen 3.040 N/A ALA 60.A N VAL 47.A O no hydrogen 2.890 N/A SER 62.A OG GLU 45.A OE2 no hydrogen 2.858 N/A VAL 63.A N ALA 60.A O no hydrogen 3.002 N/A LYS 64.A N ALA 60.A O no hydrogen 2.979 N/A ARG 66.A N VAL 63.A O no hydrogen 2.947 N/A ARG 66.A NH1 ASN 83.A O no hydrogen 3.169 N/A ARG 66.A NH1 SER 84.A O no hydrogen 3.158 N/A ARG 66.A NH1 ASP 89.A OD1 no hydrogen 3.567 N/A ARG 66.A NH1 ASP 89.A OD2 no hydrogen 2.830 N/A ARG 66.A NH2 SER 62.A O no hydrogen 3.194 N/A ARG 66.A NH2 ASP 89.A OD1 no hydrogen 2.921 N/A PHE 67.A N VAL 63.A O no hydrogen 3.244 N/A THR 68.A N GLN 81.A O no hydrogen 2.766 N/A ILE 69.A N TYR 59.A OH no hydrogen 2.905 N/A SER 70.A N TYR 79.A O no hydrogen 2.961 N/A ASP 72.A N THR 77.A O no hydrogen 2.874 N/A SER 74.A OG ASP 72.A OD1 no hydrogen 2.450 N/A LYS 75.A N ASP 72.A OD1 no hydrogen 3.203 N/A LYS 75.A NZ ASP 72.A OD2 no hydrogen 2.871 N/A LYS 75.A NZ TYR 79.A OH no hydrogen 2.846 N/A ASN 76.A N THR 73.A O no hydrogen 3.099 N/A THR 77.A N ASP 72.A O no hydrogen 3.274 N/A THR 77.A OG1 LYS 75.A O no hydrogen 2.837 N/A ALA 78.A N CYS 21.A O no hydrogen 3.025 N/A TYR 79.A N SER 70.A O no hydrogen 2.724 N/A LEU 80.A N LEU 19.A O no hydrogen 2.913 N/A GLN 81.A N THR 68.A O no hydrogen 2.775 N/A GLN 81.A NE2 ASN 83.A OD1 no hydrogen 3.445 N/A MET 82.A N LEU 17.A O no hydrogen 2.867 N/A ASN 83.A N ARG 66.A O no hydrogen 3.073 N/A LEU 85.A N GLY 15.A O no hydrogen 3.135 N/A THR 86.A N ASP 89.A OD2 no hydrogen 2.969 N/A GLU 88.A N THR 86.A OG1 no hydrogen 3.277 N/A ASP 89.A N THR 86.A O no hydrogen 2.826 N/A THR 90.A N ALA 87.A O no hydrogen 3.112 N/A ALA 91.A N VAL 124.A O no hydrogen 2.925 N/A VAL 92.A N GLN 38.A O no hydrogen 3.064 N/A TYR 93.A N THR 122.A O no hydrogen 2.734 N/A TYR 93.A OH ASP 89.A O no hydrogen 2.689 N/A TYR 94.A N VAL 36.A O no hydrogen 2.662 N/A CYS 95.A N GLU 5.A OE2 no hydrogen 2.779 N/A ALA 96.A N HIS 34.A O no hydrogen 2.731 N/A ARG 97.A N TYR 117.A O no hydrogen 2.974 N/A ARG 97.A NE ASP 116.A OD1 no hydrogen 3.026 N/A ARG 97.A NH2 ASP 116.A OD1 no hydrogen 3.561 N/A ARG 97.A NH2 ASP 116.A OD2 no hydrogen 2.569 N/A GLY 98.A N SER 32.A O no hydrogen 2.900 N/A TYR 99.A N GLY 114.A O no hydrogen 2.923 N/A TYR 101.A N TYR 111.A O no hydrogen 3.232 N/A GLY 103.A N ALA 109.A O no hydrogen 2.771 N/A TYR 108.A N TRP 105.A O no hydrogen 2.744 N/A TYR 111.A N TYR 101.A O no hydrogen 2.853 N/A GLY 114.A N TYR 99.A O no hydrogen 3.088 N/A TRP 118.A NE1 MET 115.A O no hydrogen 2.864 N/A GLY 119.A N CYS 95.A O no hydrogen 2.922 N/A GLN 120.A N GLN 120.A OE1 no hydrogen 2.640 N/A GLN 120.A NE2 GLU 5.A O no hydrogen 3.134 N/A GLY 121.A N GLU 5.A OE1 no hydrogen 2.802 N/A THR 122.A N TYR 93.A O no hydrogen 2.889 N/A VAL 124.A N ALA 91.A O no hydrogen 2.798 N/A THR 125.A N GLY 9.A O no hydrogen 3.125 N/A VAL 126.A N THR 90.A OG1 no hydrogen 2.822 N/A SER 127.A N VAL 11.A O no hydrogen 2.920 N/A SER 127.A OG GLN 12.A OE1 no hydrogen 3.369 N/A THR 138.A N ARG 157.A O no hydrogen 2.921 N/A GLN 139.A NE2 TYR 219.A O no hydrogen 2.837 N/A GLN 139.A NE2 SER 235.A OG no hydrogen 2.877 N/A SER 140.A N SER 155.A O no hydrogen 2.958 N/A SER 140.A OG SER 155.A OG no hydrogen 2.758 N/A SER 142.A OG GLN 139.A O no hydrogen 3.369 N/A SER 142.A OG GLY 234.A O no hydrogen 3.196 N/A SER 142.A OG SER 235.A OG no hydrogen 3.187 N/A ALA 146.A N GLU 238.A O no hydrogen 3.178 N/A SER 147.A N ASP 150.A OD2 no hydrogen 3.228 N/A ASP 150.A N SER 147.A O no hydrogen 2.995 N/A VAL 152.A N ILE 208.A O no hydrogen 2.931 N/A THR 153.A OG1 THR 207.A OG1 no hydrogen 2.877 N/A ILE 154.A N LEU 206.A O no hydrogen 2.756 N/A SER 155.A N SER 140.A O no hydrogen 2.430 N/A SER 155.A OG SER 140.A O no hydrogen 2.739 N/A CYS 156.A N TYR 204.A O no hydrogen 2.878 N/A ARG 157.A N THR 138.A O no hydrogen 2.903 N/A ARG 157.A NE ASP 203.A OD1 no hydrogen 2.991 N/A ARG 157.A NE ASP 203.A OD2 no hydrogen 3.327 N/A ARG 157.A NH1 ASP 203.A OD2 no hydrogen 2.666 N/A ALA 158.A N THR 202.A O no hydrogen 2.798 N/A GLY 159.A N GLN 136.A O no hydrogen 2.833 N/A ILE 162.A N GLY 201.A O no hydrogen 3.198 N/A SER 163.A N ASP 161.A OD1 no hydrogen 2.915 N/A ASN 164.A N TYR 204.A OH no hydrogen 2.807 N/A ASN 164.A ND2 THR 184.A OG1 no hydrogen 3.022 N/A ASN 164.A ND2 GLY 199.A O no hydrogen 2.989 N/A HIS 165.A N ILE 162.A O no hydrogen 2.919 N/A LEU 166.A N ASN 164.A O no hydrogen 2.868 N/A ASN 167.A N GLN 222.A O no hydrogen 2.833 N/A ASN 167.A ND2 GLN 222.A OE1 no hydrogen 3.066 N/A TRP 168.A N ILE 181.A O no hydrogen 2.810 N/A TYR 169.A N PHE 220.A O no hydrogen 2.754 N/A TYR 169.A OH GLN 222.A OE1 no hydrogen 2.735 N/A GLN 170.A N LYS 178.A O no hydrogen 2.887 N/A GLN 170.A NE2 TYR 219.A OH no hydrogen 2.980 N/A GLN 171.A N THR 218.A O no hydrogen 2.799 N/A GLN 171.A NE2 GLY 175.A O no hydrogen 3.480 N/A LYS 172.A N THR 176.A O no hydrogen 2.932 N/A GLY 175.A N LYS 172.A O no hydrogen 2.977 N/A THR 176.A N ASP 174.A OD1 no hydrogen 2.954 N/A THR 176.A OG1 ASP 174.A OD1 no hydrogen 2.815 N/A LYS 178.A N GLN 170.A O no hydrogen 2.876 N/A LEU 180.A N TRP 168.A O no hydrogen 2.888 N/A ILE 181.A N TRP 168.A O no hydrogen 3.351 N/A TYR 182.A N ARG 186.A O no hydrogen 2.879 N/A TYR 183.A N ASN 167.A OD1 no hydrogen 2.983 N/A THR 184.A N LEU 166.A O no hydrogen 2.825 N/A THR 184.A OG1 ASN 164.A O no hydrogen 2.763 N/A SER 185.A N TYR 183.A O no hydrogen 2.796 N/A ARG 186.A N TYR 182.A O no hydrogen 2.940 N/A HIS 188.A N LEU 180.A O no hydrogen 2.970 N/A VAL 191.A N HIS 188.A O no hydrogen 3.128 N/A ARG 194.A NE ASP 215.A OD2 no hydrogen 3.006 N/A ARG 194.A NH1 GLU 214.A OE2 no hydrogen 3.235 N/A ARG 194.A NH1 ASP 215.A OD1 no hydrogen 2.632 N/A ARG 194.A NH1 ASP 215.A OD2 no hydrogen 3.386 N/A PHE 195.A N PRO 192.A O no hydrogen 3.128 N/A SER 196.A N THR 207.A O no hydrogen 3.011 N/A SER 198.A N SER 205.A O no hydrogen 2.880 N/A SER 200.A N ASP 203.A O no hydrogen 3.054 N/A ASP 203.A N SER 200.A O no hydrogen 3.150 N/A TYR 204.A N CYS 156.A O no hydrogen 2.899 N/A TYR 204.A OH GLY 201.A O no hydrogen 2.900 N/A SER 205.A N SER 198.A O no hydrogen 2.823 N/A SER 205.A OG ILE 154.A O no hydrogen 3.382 N/A LEU 206.A N ILE 154.A O no hydrogen 2.695 N/A THR 207.A N SER 196.A O no hydrogen 2.866 N/A THR 207.A OG1 THR 153.A OG1 no hydrogen 2.877 N/A ILE 208.A N VAL 152.A O no hydrogen 2.757 N/A SER 209.A N ARG 194.A O no hydrogen 2.752 N/A SER 209.A OG ASN 210.A OD1 no hydrogen 3.105 N/A LEU 211.A N ASP 150.A O no hydrogen 2.801 N/A GLU 212.A N ASP 215.A OD2 no hydrogen 3.010 N/A ASP 215.A N GLU 212.A O no hydrogen 2.946 N/A ILE 216.A N GLN 213.A O no hydrogen 3.260 N/A THR 218.A N GLN 171.A O no hydrogen 2.944 N/A TYR 219.A N SER 235.A O no hydrogen 2.755 N/A TYR 219.A OH ASP 215.A O no hydrogen 2.645 N/A PHE 220.A N TYR 169.A O no hydrogen 2.910 N/A CYS 221.A N GLN 139.A OE1 no hydrogen 3.156 N/A CYS 221.A SG GLN 139.A OE1 no hydrogen 3.667 N/A GLN 222.A NE2 GLN 223.A O no hydrogen 2.795 N/A GLN 223.A N THR 230.A O no hydrogen 3.060 N/A GLN 223.A NE2 THR 226.A O no hydrogen 2.992 N/A GLN 223.A NE2 THR 230.A OG1 no hydrogen 3.121 N/A GLY 224.A N HIS 165.A O no hydrogen 2.946 N/A ASN 225.A N GLN 223.A OE1 no hydrogen 2.856 N/A ASN 225.A ND2 HIS 165.A ND1 no hydrogen 2.903 N/A THR 226.A N GLN 223.A OE1 no hydrogen 3.089 N/A THR 226.A OG1 ASN 225.A OD1 no hydrogen 3.246 N/A THR 230.A OG1 ILE 135.A O no hydrogen 2.751 N/A GLY 232.A N CYS 221.A O no hydrogen 2.769 N/A GLY 234.A N GLN 139.A OE1 no hydrogen 2.890 N/A SER 235.A N TYR 219.A O no hydrogen 2.779 N/A SER 235.A OG SER 142.A OG no hydrogen 3.187 N/A LEU 237.A N ALA 217.A O no hydrogen 2.719 N/A LYS 240.A N ALA 146.A O no hydrogen 2.864 N/A