Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3gpi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A OG HIS 26.A ND1 no hydrogen 3.324 N/A LYS 4.A N GLU 64.A OE1 no hydrogen 2.892 N/A ILE 5.A N GLU 27.A O no hydrogen 2.857 N/A LEU 6.A N ILE 65.A O no hydrogen 2.908 N/A ILE 7.A N THR 29.A O no hydrogen 2.853 N/A ALA 8.A N VAL 67.A O no hydrogen 2.839 N/A GLY 9.A N LEU 31.A O no hydrogen 2.934 N/A CYS 10.A SG LEU 31.A O no hydrogen 3.635 N/A LEU 15.A N GLY 11.A O no hydrogen 2.931 N/A GLU 16.A N ASP 12.A O no hydrogen 3.009 N/A LEU 17.A N LEU 13.A O no hydrogen 2.900 N/A ALA 18.A N GLY 14.A O no hydrogen 2.873 N/A ARG 19.A N LEU 15.A O no hydrogen 2.997 N/A ARG 19.A NE GLU 16.A OE1 no hydrogen 3.050 N/A ARG 19.A NH2 GLU 16.A OE2 no hydrogen 2.740 N/A ARG 20.A N GLU 16.A O no hydrogen 3.129 N/A ARG 20.A NE GLU 16.A OE2 no hydrogen 2.657 N/A ARG 20.A NH2 GLU 16.A OE2 no hydrogen 3.079 N/A LEU 21.A N LEU 17.A O no hydrogen 2.932 N/A THR 22.A N ALA 18.A O no hydrogen 2.874 N/A THR 22.A OG1 ALA 18.A O no hydrogen 3.002 N/A ALA 23.A N ARG 19.A O no hydrogen 3.043 N/A GLN 24.A N ARG 20.A O no hydrogen 3.068 N/A GLN 24.A N LEU 21.A O no hydrogen 3.215 N/A GLY 25.A N THR 22.A O no hydrogen 2.933 N/A HIS 26.A N LEU 21.A O no hydrogen 3.083 N/A HIS 26.A ND1 SER 3.A O no hydrogen 2.768 N/A THR 29.A N ILE 5.A O no hydrogen 3.036 N/A GLY 30.A N GLN 43.A O no hydrogen 2.913 N/A LEU 31.A N ILE 7.A O no hydrogen 2.866 N/A ARG 32.A N LEU 45.A O no hydrogen 2.955 N/A ARG 32.A NE THR 44.A OG1 no hydrogen 2.863 N/A ARG 32.A NH1 ARG 33.A O no hydrogen 3.534 N/A ARG 32.A NH1 GLN 36.A O no hydrogen 3.030 N/A ARG 33.A N GLN 36.A OE1 no hydrogen 2.999 N/A GLN 36.A N ARG 33.A O no hydrogen 3.012 N/A VAL 42.A N PRO 39.A O no hydrogen 3.350 N/A LEU 45.A N GLY 30.A O no hydrogen 2.957 N/A ALA 47.A N ARG 32.A O no hydrogen 3.029 N/A ASP 48.A N THR 54.A OG1 no hydrogen 2.967 N/A THR 50.A N ASP 48.A OD1 no hydrogen 2.838 N/A THR 50.A OG1 ASP 48.A OD1 no hydrogen 2.520 N/A THR 50.A OG1 ASP 48.A OD2 no hydrogen 3.204 N/A ARG 51.A N ASP 48.A O no hydrogen 2.865 N/A THR 54.A N ARG 51.A O no hydrogen 2.876 N/A THR 54.A OG1 ARG 51.A O no hydrogen 2.818 N/A LEU 55.A N PRO 52.A O no hydrogen 3.018 N/A ILE 58.A N LEU 55.A O no hydrogen 3.392 N/A HIS 60.A N SER 57.A O no hydrogen 3.018 N/A LEU 61.A N ILE 58.A O no hydrogen 2.942 N/A ARG 62.A N VAL 59.A O no hydrogen 2.999 N/A ARG 62.A NH2 GLY 92.A O no hydrogen 2.872 N/A GLU 64.A N LYS 4.A O no hydrogen 2.877 N/A ILE 65.A N LYS 4.A O no hydrogen 3.103 N/A LEU 66.A N HIS 97.A O no hydrogen 3.068 N/A VAL 67.A N LEU 6.A O no hydrogen 2.849 N/A TYR 68.A N PHE 99.A O no hydrogen 2.794 N/A CYS 69.A N ALA 8.A O no hydrogen 2.787 N/A CYS 69.A SG GLY 9.A O no hydrogen 4.002 N/A SER 73.A N CYS 69.A O no hydrogen 3.187 N/A GLU 74.A N VAL 70.A O no hydrogen 2.832 N/A TYR 75.A N ALA 71.A O no hydrogen 2.687 N/A SER 76.A N ALA 72.A O no hydrogen 3.192 N/A SER 76.A OG SER 73.A O no hydrogen 2.773 N/A ARG 84.A N VAL 80.A O no hydrogen 2.766 N/A ARG 84.A NH2.B GLU 81.A OE1 no hydrogen 2.606 N/A ASN 85.A N GLU 81.A O no hydrogen 2.814 N/A ASN 85.A ND2 VAL 49.A O no hydrogen 2.837 N/A THR 86.A N GLY 82.A O no hydrogen 3.035 N/A THR 86.A OG1 GLY 82.A O no hydrogen 2.763 N/A LEU 87.A N LEU 83.A O no hydrogen 2.895 N/A SER 88.A N ARG 84.A O no hydrogen 2.906 N/A ALA 89.A N ASN 85.A O no hydrogen 2.917 N/A LEU 90.A N THR 86.A O no hydrogen 3.108 N/A LEU 90.A N LEU 87.A O no hydrogen 3.047 N/A GLU 91.A N SER 88.A O no hydrogen 3.085 N/A ALA 93.A N LEU 90.A O no hydrogen 2.887 N/A GLN 96.A N GLU 64.A O no hydrogen 2.693 N/A HIS 97.A N GLU 64.A O no hydrogen 3.355 N/A HIS 97.A ND1 SER 142.A OG no hydrogen 2.936 N/A HIS 97.A NE2 THR 144.A OG1 no hydrogen 2.885 N/A VAL 98.A N SER 142.A O no hydrogen 3.025 N/A PHE 99.A N LEU 66.A O no hydrogen 2.812 N/A PHE 100.A N THR 144.A O no hydrogen 2.902 N/A VAL 101.A N TYR 68.A O no hydrogen 2.969 N/A SER 102.A N LEU 146.A O no hydrogen 2.686 N/A SER 102.A OG GLU 135.A OE2 no hydrogen 2.567 N/A SER 103.A N SER 102.A OG no hydrogen 2.714 N/A THR 104.A N PHE 148.A O no hydrogen 2.907 N/A THR 104.A OG1 PHE 148.A O no hydrogen 3.379 N/A GLY 105.A N SER 103.A OG no hydrogen 2.909 N/A VAL 106.A N SER 103.A O no hydrogen 3.302 N/A TYR 107.A N THR 104.A O no hydrogen 2.992 N/A TYR 107.A OH ASP 116.A O no hydrogen 3.191 N/A GLY 108.A N ILE 122.A O no hydrogen 2.757 N/A GLN 109.A N GLN 109.A OE1 no hydrogen 2.928 N/A GLN 109.A NE2 PRO 120.A O no hydrogen 3.037 N/A VAL 111.A N ASN 240.A O no hydrogen 3.004 N/A LEU 115.A N LYS 242.A O no hydrogen 2.857 N/A ASP 116.A N THR 119.A OG1 no hydrogen 3.111 N/A GLU 117.A N GLU 117.A OE1 no hydrogen 2.784 N/A ASP 118.A N ASP 116.A OD1 no hydrogen 2.893 N/A THR 119.A N ASP 116.A O no hydrogen 3.036 N/A THR 119.A OG1 ASP 116.A O no hydrogen 3.281 N/A ILE 122.A N GLN 109.A OE1 no hydrogen 2.944 N/A GLY 128.A N ASP 125.A OD1 no hydrogen 2.845 N/A LYS 129.A N ASP 125.A O no hydrogen 2.969 N/A ARG 130.A N PHE 126.A O no hydrogen 2.879 N/A ARG 130.A NE PHE 126.A O no hydrogen 3.181 N/A ARG 130.A NH2 LEU 77.A O no hydrogen 2.962 N/A MET 131.A N SER 127.A O no hydrogen 2.925 N/A LEU 132.A N GLY 128.A O no hydrogen 2.917 N/A GLU 133.A N LYS 129.A O no hydrogen 2.950 N/A ALA 134.A N ARG 130.A O no hydrogen 2.993 N/A GLU 135.A N MET 131.A O no hydrogen 2.906 N/A ALA 136.A N LEU 132.A O no hydrogen 3.016 N/A LEU 138.A N GLU 135.A O no hydrogen 3.024 N/A ALA 139.A N ALA 136.A O no hydrogen 3.106 N/A TYR 141.A N LEU 138.A O no hydrogen 2.961 N/A SER 142.A OG GLN 96.A O no hydrogen 3.311 N/A SER 142.A OG HIS 97.A ND1 no hydrogen 2.936 N/A SER 143.A OG LEU 138.A O no hydrogen 3.230 N/A SER 143.A OG TYR 141.A O no hydrogen 3.094 N/A THR 144.A N VAL 98.A O no hydrogen 2.924 N/A THR 144.A OG1 HIS 97.A NE2 no hydrogen 2.885 N/A THR 144.A OG1 GLU 201.A O no hydrogen 2.789 N/A ILE 145.A N ARG 202.A O no hydrogen 2.885 N/A LEU 146.A N PHE 100.A O no hydrogen 2.752 N/A ARG 147.A N TYR 204.A O no hydrogen 2.817 N/A ARG 147.A NE GLU 135.A OE2 no hydrogen 2.992 N/A ARG 147.A NH1 TYR 107.A OH no hydrogen 2.949 N/A ARG 147.A NH2 GLU 135.A OE1 no hydrogen 2.725 N/A PHE 148.A N SER 102.A O no hydrogen 3.139 N/A SER 149.A N VAL 206.A O no hydrogen 3.044 N/A SER 149.A OG VAL 206.A O no hydrogen 3.408 N/A SER 149.A OG THR 207.A OG1 no hydrogen 2.779 N/A GLY 150.A N ASN 177.A O no hydrogen 3.205 N/A TYR 152.A N ILE 179.A O no hydrogen 3.070 N/A GLY 153.A N ARG 156.A O no hydrogen 3.482 N/A ARG 156.A N GLY 153.A O no hydrogen 2.929 N/A ARG 156.A NE ASP 12.A OD1 no hydrogen 3.331 N/A ARG 156.A NE ASP 12.A OD2 no hydrogen 2.772 N/A ARG 156.A NH2 ASP 12.A OD1 no hydrogen 2.909 N/A ARG 161.A N LEU 157.A O no hydrogen 3.095 N/A GLN 162.A N ARG 158.A O no hydrogen 2.820 N/A GLN 162.A NE2 GLN 168.A O no hydrogen 3.218 N/A ALA 163.A N MET 159.A O no hydrogen 2.923 N/A GLN 164.A N ARG 161.A O no hydrogen 2.927 N/A GLN 164.A NE2 GLN 225.A OE1 no hydrogen 2.876 N/A THR 165.A N GLN 162.A O no hydrogen 3.062 N/A THR 165.A OG1 GLN 162.A O no hydrogen 3.302 N/A GLN 168.A N THR 165.A O no hydrogen 2.830 N/A TRP 169.A N PRO 166.A O no hydrogen 3.190 N/A TRP 169.A NE1 GLN 162.A O no hydrogen 2.820 N/A ARG 172.A NH2 GLU 110.A OE1 no hydrogen 3.115 N/A ASN 173.A ND2 PRO 235.A O no hydrogen 2.923 N/A TRP 175.A N GLY 239.A O no hydrogen 3.001 N/A TRP 175.A NE1 GLU 112.A OE1 no hydrogen 2.813 N/A THR 176.A N LEU 212.A O no hydrogen 2.783 N/A THR 176.A OG1 LEU 212.A O no hydrogen 2.764 N/A ASN 177.A ND2 LYS 241.A O no hydrogen 2.879 N/A ARG 178.A NH2 THR 176.A OG1 no hydrogen 2.761 N/A ILE 179.A N GLY 150.A O no hydrogen 2.942 N/A ARG 181.A N TYR 152.A O no hydrogen 2.814 N/A ARG 181.A NE ASP 182.A OD1 no hydrogen 2.834 N/A ARG 181.A NH2 ASP 182.A OD1 no hydrogen 2.726 N/A ASP 182.A N HIS 180.A ND1 no hydrogen 2.917 N/A GLY 184.A N HIS 180.A O no hydrogen 2.964 N/A ALA 185.A N ARG 181.A O no hydrogen 2.985 N/A ALA 186.A N ASP 182.A O no hydrogen 2.879 N/A PHE 187.A N ASP 183.A O no hydrogen 2.803 N/A ILE 188.A N GLY 184.A O no hydrogen 3.185 N/A ALA 189.A N ALA 185.A O no hydrogen 2.950 N/A TYR 190.A N ALA 186.A O no hydrogen 2.804 N/A TYR 190.A OH SER 251.A O no hydrogen 2.654 N/A LEU 191.A N PHE 187.A O no hydrogen 2.866 N/A ILE 192.A N ILE 188.A O no hydrogen 2.925 N/A GLN 193.A N ALA 189.A O no hydrogen 2.925 N/A GLN 194.A N TYR 190.A O no hydrogen 2.903 N/A ARG 195.A NE HIS 97.A ND1 no hydrogen 3.060 N/A ARG 195.A NH1 ARG 195.A O no hydrogen 3.354 N/A ARG 195.A NH2 GLN 96.A O no hydrogen 2.892 N/A HIS 197.A N GLN 194.A O no hydrogen 2.866 N/A ALA 198.A N GLN 194.A O no hydrogen 2.750 N/A GLU 201.A N TYR 204.A OH no hydrogen 3.289 N/A ARG 202.A NH1 TYR 141.A O no hydrogen 2.782 N/A ARG 202.A NH2 LEU 138.A O no hydrogen 2.670 N/A ARG 202.A NH2 TYR 141.A O no hydrogen 3.151 N/A TYR 204.A N ILE 145.A O no hydrogen 2.920 N/A ILE 205.A N GLU 117.A OE2 no hydrogen 2.831 N/A VAL 206.A N ARG 147.A O no hydrogen 2.821 N/A THR 207.A OG1 SER 149.A OG no hydrogen 2.779 N/A THR 207.A OG1 ARG 178.A O no hydrogen 3.295 N/A ASP 208.A N ARG 178.A O no hydrogen 2.859 N/A ASN 209.A N PRO 258.A O no hydrogen 2.951 N/A GLN 210.A N ASP 208.A OD1 no hydrogen 2.880 N/A LEU 212.A N THR 176.A O no hydrogen 3.039 N/A VAL 214.A N ALA 174.A O no hydrogen 2.870 N/A HIS 215.A N ASN 173.A OD1 no hydrogen 2.906 N/A HIS 215.A NE2 PRO 170.A O no hydrogen 2.796 N/A ASP 216.A N PRO 213.A O no hydrogen 2.916 N/A LEU 217.A N PRO 213.A O no hydrogen 3.273 N/A LEU 218.A N VAL 214.A O no hydrogen 2.894 N/A ARG 219.A N HIS 215.A O no hydrogen 2.936 N/A ARG 219.A NH1 GLY 232.A O no hydrogen 2.812 N/A ARG 219.A NH2 GLY 232.A O no hydrogen 2.971 N/A TRP 220.A N ASP 216.A O no hydrogen 3.018 N/A LEU 221.A N LEU 217.A O no hydrogen 2.899 N/A ALA 222.A N LEU 218.A O no hydrogen 2.811 N/A ASP 223.A N ARG 219.A O no hydrogen 2.824 N/A ARG 224.A N TRP 220.A O no hydrogen 3.127 N/A ARG 224.A NH1 TRP 220.A O no hydrogen 3.203 N/A GLN 225.A N ALA 222.A O no hydrogen 3.029 N/A GLN 225.A NE2 ILE 160.A O no hydrogen 3.084 N/A GLN 225.A NE2 LEU 221.A O no hydrogen 3.156 N/A GLY 226.A N ASP 223.A O no hydrogen 3.506 N/A ILE 227.A N ALA 222.A O no hydrogen 3.025 N/A TYR 229.A OH ASP 223.A OD1 no hydrogen 2.827 N/A THR 234.A OG1 PRO 235.A O no hydrogen 3.453 N/A GLN 238.A N ASN 173.A O no hydrogen 3.008 N/A GLY 239.A N GLU 112.A OE2 no hydrogen 3.316 N/A ASN 240.A N GLU 110.A OE2 no hydrogen 2.704 N/A ASN 240.A ND2 TRP 175.A O no hydrogen 2.982 N/A LYS 241.A NZ THR 104.A O no hydrogen 3.367 N/A LYS 241.A NZ TYR 107.A O no hydrogen 2.884 N/A LYS 241.A NZ ASN 240.A OD1 no hydrogen 2.987 N/A LYS 242.A N GLU 113.A O no hydrogen 3.169 N/A LEU 243.A N ASN 177.A OD1 no hydrogen 3.004 N/A SER 244.A N LEU 115.A O no hydrogen 2.933 N/A ASN 245.A ND2 THR 207.A O no hydrogen 3.030 N/A ASN 245.A ND2 ASN 209.A OD1 no hydrogen 2.922 N/A ALA 246.A N SER 244.A OG no hydrogen 3.165 N/A ARG 247.A NE GLU 201.A OE1 no hydrogen 3.313 N/A ARG 247.A NH1 GLU 117.A OE1 no hydrogen 3.089 N/A ARG 247.A NH1 ASP 118.A OD1 no hydrogen 3.192 N/A ARG 247.A NH2 ASP 118.A OD1 no hydrogen 3.070 N/A LEU 249.A N ASN 245.A O no hydrogen 2.989 N/A ALA 250.A N ALA 246.A O no hydrogen 2.892 N/A SER 251.A N ARG 247.A O no hydrogen 3.078 N/A SER 251.A N LEU 248.A O no hydrogen 3.184 N/A SER 251.A OG LEU 248.A O no hydrogen 2.575 N/A GLY 252.A N LEU 249.A O no hydrogen 3.015 N/A TYR 253.A N SER 251.A OG no hydrogen 3.179 N/A TYR 253.A OH ASP 183.A OD1 no hydrogen 2.656 N/A ILE 256.A N ASP 183.A OD1 no hydrogen 2.700 N/A TYR 257.A N ASP 183.A OD2 no hydrogen 2.904 N/A SER 262.A N ASP 259.A OD1 no hydrogen 3.313 N/A SER 262.A OG.B ASP 259.A O no hydrogen 3.177 N/A GLY 263.A N ASP 259.A O no hydrogen 3.160 N/A TYR 264.A N TYR 260.A O no hydrogen 2.801 N/A GLY 265.A N VAL 261.A O no hydrogen 2.930 N/A ALA 266.A N SER 262.A O no hydrogen 3.002 N/A LEU 267.A N GLY 263.A O no hydrogen 3.150 N/A LEU 267.A N TYR 264.A O no hydrogen 3.127 N/A LEU 268.A N TYR 264.A O no hydrogen 2.962 N/A ALA 269.A N GLY 265.A O no hydrogen 3.116 N/A ALA 270.A N ALA 266.A O no hydrogen 3.102 N/A MET 271.A N LEU 267.A O no hydrogen 2.975 N/A ARG 272.A N LEU 268.A O no hydrogen 3.285 N/A GLU 273.A N ALA 270.A O no hydrogen 2.914 N/A