Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4bup_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG HIS 3.A ND1 no hydrogen 2.952 N/A SER 5.A OG ASP 185.A OD2 no hydrogen 2.751 N/A SER 6.A OG MET 8.A O no hydrogen 2.733 N/A SER 9.A N GLU 12.A OE1 no hydrogen 3.178 N/A LYS 11.A NZ GLU 15.A OE2 no hydrogen 2.967 N/A GLU 12.A N SER 9.A OG no hydrogen 3.318 N/A LEU 13.A N SER 9.A O no hydrogen 2.872 N/A CYS 14.A N ALA 10.A O no hydrogen 2.955 N/A CYS 14.A SG ALA 10.A O no hydrogen 3.317 N/A GLU 15.A N LYS 11.A O no hydrogen 3.030 N/A ASN 16.A N GLU 12.A O no hydrogen 2.841 N/A ASP 17.A N LEU 13.A O no hydrogen 2.753 N/A ASP 18.A N CYS 14.A O no hydrogen 3.022 N/A LEU 19.A N GLU 15.A O no hydrogen 3.038 N/A ALA 20.A N ASN 16.A O no hydrogen 2.952 N/A THR 21.A N ASP 17.A O no hydrogen 3.094 N/A THR 21.A OG1 ASP 17.A O no hydrogen 3.158 N/A THR 21.A OG1 ASP 18.A O no hydrogen 3.329 N/A SER 22.A N ASP 18.A O no hydrogen 3.187 N/A SER 22.A OG ASP 18.A O no hydrogen 2.885 N/A SER 22.A OG LEU 19.A O no hydrogen 2.810 N/A LEU 23.A N LEU 19.A O no hydrogen 3.151 N/A LEU 23.A N ALA 20.A O no hydrogen 3.320 N/A VAL 24.A N ALA 20.A O no hydrogen 2.929 N/A LEU 25.A N THR 21.A O no hydrogen 2.905 N/A ASP 26.A N THR 21.A O no hydrogen 2.879 N/A LEU 29.A N LEU 25.A O no hydrogen 2.802 N/A GLY 30.A N ASP 26.A O no hydrogen 2.679 N/A THR 33.A N ASP 26.A OD1 no hydrogen 2.834 N/A THR 33.A OG1 ASP 26.A OD1 no hydrogen 2.639 N/A LYS 35.A NZ THR 21.A OG1 no hydrogen 2.746 N/A LYS 35.A NZ ASP 26.A OD2 no hydrogen 2.887 N/A LYS 35.A NZ THR 33.A O no hydrogen 3.477 N/A LYS 35.A NZ HIS 34.A O no hydrogen 3.375 N/A MET 36.A N ASP 18.A OD1 no hydrogen 2.815 N/A ASN 37.A N ASP 18.A OD2 no hydrogen 2.892 N/A THR 38.A OG1 ASN 37.A OD1 no hydrogen 2.836 N/A LEU 43.A N GLN 40.A O no hydrogen 3.333 N/A LYS 44.A NZ TYR 28.A O no hydrogen 3.190 N/A GLU 45.A N GLU 42.A O no hydrogen 3.064 N/A VAL 46.A N GLU 42.A O no hydrogen 3.440 N/A ILE 47.A N LEU 43.A O no hydrogen 3.172 N/A GLU 48.A N LYS 44.A O no hydrogen 2.666 N/A ARG 49.A N GLU 45.A O no hydrogen 2.665 N/A PHE 50.A N VAL 46.A O no hydrogen 3.080 N/A LYS 52.A N ARG 49.A O no hydrogen 2.936 N/A LYS 52.A NZ GLU 48.A O no hydrogen 3.527 N/A ASP 53.A N ARG 49.A O no hydrogen 2.879 N/A GLU 54.A N PHE 50.A O no hydrogen 2.678 N/A HIS 55.A N ASP 53.A OD1 no hydrogen 2.479 N/A LYS 58.A NZ ASP 53.A OD2 no hydrogen 3.013 N/A ALA 59.A N HIS 55.A O no hydrogen 3.158 N/A PHE 60.A N LEU 56.A O no hydrogen 3.023 N/A LYS 61.A N GLU 57.A O no hydrogen 3.210 N/A CYS 62.A SG LYS 58.A O no hydrogen 3.158 N/A LEU 63.A N ALA 59.A O no hydrogen 3.093 N/A THR 64.A N LYS 61.A O no hydrogen 2.997 N/A THR 64.A OG1 PHE 60.A O no hydrogen 2.790 N/A THR 64.A OG1 LYS 61.A O no hydrogen 3.510 N/A SER 65.A N CYS 62.A O no hydrogen 3.495 N/A SER 65.A OG LYS 61.A O no hydrogen 2.703 N/A SER 65.A OG CYS 62.A O no hydrogen 3.332 N/A ASN 69.A N GLN 72.A OE1 no hydrogen 3.233 N/A GLN 72.A N ASN 69.A OD1 no hydrogen 2.821 N/A GLN 72.A NE2 GLU 12.A OE2 no hydrogen 2.584 N/A GLU 73.A N ASN 69.A O no hydrogen 3.185 N/A LYS 74.A N LYS 70.A O no hydrogen 2.979 N/A LEU 75.A N MET 71.A O no hydrogen 2.935 N/A PHE 76.A N GLN 72.A O no hydrogen 2.883 N/A LYS 77.A N GLU 73.A O no hydrogen 2.854 N/A LYS 77.A NZ GLU 57.A OE1 no hydrogen 2.568 N/A LYS 77.A NZ GLU 57.A OE2 no hydrogen 3.021 N/A GLU 78.A N LYS 74.A O no hydrogen 2.948 N/A HIS 79.A N LEU 75.A O no hydrogen 3.045 N/A HIS 79.A NE2 ASP 17.A OD1 no hydrogen 2.770 N/A VAL 80.A N PHE 76.A O no hydrogen 3.013 N/A PHE 81.A N LYS 77.A O no hydrogen 3.022 N/A ILE 82.A N GLU 78.A O no hydrogen 3.131 N/A ILE 82.A N HIS 79.A O no hydrogen 3.197 N/A TYR 83.A N HIS 79.A O no hydrogen 3.444 N/A TYR 83.A OH ASP 17.A OD1 no hydrogen 2.712 N/A TYR 83.A OH ASP 17.A OD2 no hydrogen 3.322 N/A LEU 84.A N VAL 80.A O no hydrogen 2.836 N/A ARG 85.A N PHE 81.A O no hydrogen 2.883 N/A MET 86.A N TYR 83.A O no hydrogen 3.174 N/A PHE 87.A N LEU 84.A O no hydrogen 3.051 N/A ALA 88.A N ARG 85.A O no hydrogen 2.948 N/A THR 89.A N GLU 54.A OE2 no hydrogen 2.957 N/A THR 89.A OG1 GLU 54.A OE2 no hydrogen 2.938 N/A THR 89.A OG1 ASP 90.A OD1 no hydrogen 3.096 N/A SER 91.A N ALA 88.A O no hydrogen 2.753 N/A SER 91.A OG MET 86.A O no hydrogen 3.025 N/A SER 91.A OG ALA 88.A O no hydrogen 3.258 N/A SER 91.A OG PHE 93.A O no hydrogen 3.073 N/A PHE 93.A N SER 91.A OG no hydrogen 3.295 N/A GLU 94.A N VAL 111.A O no hydrogen 2.744 N/A LEU 96.A N LYS 109.A O no hydrogen 2.905 N/A CYS 98.A N GLY 107.A O no hydrogen 3.076 N/A ARG 100.A NE GLU 218.A O no hydrogen 2.729 N/A ARG 100.A NH2 GLU 218.A O no hydrogen 3.012 N/A ARG 100.A NH2 GLU 223.A OE1 no hydrogen 3.019 N/A SER 102.A N GLU 218.A OE1 no hydrogen 2.932 N/A SER 102.A OG GLU 218.A OE1 no hydrogen 3.481 N/A SER 102.A OG GLU 218.A OE2 no hydrogen 2.767 N/A LYS 109.A N LEU 96.A O no hydrogen 2.790 N/A VAL 111.A N GLU 94.A O no hydrogen 2.862 N/A ALA 112.A N GLU 199.A O no hydrogen 3.047 N/A THR 113.A N GLY 92.A O no hydrogen 2.962 N/A TRP 116.A N ILE 195.A O no hydrogen 2.695 N/A TRP 116.A NE1 GLY 92.A O no hydrogen 3.057 N/A LYS 117.A N ASP 120.A OD2 no hydrogen 2.858 N/A LYS 117.A NZ GLU 115.A OE1 no hydrogen 3.169 N/A ARG 118.A N ASP 194.A OD1 no hydrogen 2.981 N/A ASN 119.A N ALA 191.A O no hydrogen 2.795 N/A ASP 120.A N LYS 117.A O no hydrogen 2.996 N/A LYS 121.A NZ ASN 119.A O no hydrogen 2.619 N/A ILE 122.A N VAL 189.A O no hydrogen 2.722 N/A LEU 125.A N ILE 122.A O no hydrogen 3.252 N/A GLY 127.A N ALA 187.A O no hydrogen 2.821 N/A CYS 128.A N LEU 163.A O no hydrogen 2.771 N/A ILE 129.A N ASP 185.A O no hydrogen 2.870 N/A ALA 130.A N LEU 161.A O no hydrogen 2.877 N/A LEU 132.A N ALA 159.A O no hydrogen 2.847 N/A SER 133.A N GLU 136.A OE1 no hydrogen 2.984 N/A GLU 136.A N SER 133.A OG no hydrogen 3.201 N/A GLU 137.A N SER 133.A O no hydrogen 2.810 N/A ASN 138.A N GLU 134.A O no hydrogen 2.760 N/A MET 139.A N ILE 135.A O no hydrogen 3.077 N/A LEU 140.A N GLU 136.A O no hydrogen 2.860 N/A LEU 141.A N GLU 137.A O no hydrogen 3.196 N/A ARG 142.A N ASN 146.A OD1 no hydrogen 2.663 N/A GLY 144.A N ASP 147.A OD1 no hydrogen 2.918 N/A GLY 144.A N ASP 147.A OD2 no hydrogen 3.224 N/A GLU 145.A N ARG 142.A O no hydrogen 2.865 N/A ASN 146.A N ARG 142.A O no hydrogen 3.111 N/A ASN 146.A ND2 MET 36.A O no hydrogen 2.970 N/A ASN 146.A ND2 LEU 140.A O no hydrogen 3.007 N/A SER 149.A OG TRP 162.A O no hydrogen 2.794 N/A VAL 150.A N ASP 147.A O no hydrogen 3.285 N/A MET 151.A N GLN 160.A O no hydrogen 2.824 N/A SER 153.A N CYS 158.A O no hydrogen 2.995 N/A LYS 156.A N SER 153.A OG no hydrogen 2.808 N/A LYS 156.A NZ GLU 131.A OE2 no hydrogen 3.142 N/A ASN 157.A N THR 154.A O no hydrogen 3.358 N/A CYS 158.A N SER 153.A O no hydrogen 3.384 N/A CYS 158.A SG ALA 159.A O no hydrogen 3.844 N/A GLN 160.A N MET 151.A O no hydrogen 2.773 N/A GLN 160.A NE2 GLU 131.A OE2 no hydrogen 2.889 N/A LEU 161.A N ALA 130.A O no hydrogen 2.751 N/A TRP 162.A N SER 149.A O no hydrogen 3.000 N/A LEU 163.A N CYS 128.A O no hydrogen 2.926 N/A ALA 166.A N VAL 126.A O no hydrogen 2.926 N/A ALA 167.A N GLY 164.A O no hydrogen 2.918 N/A PHE 168.A N PRO 165.A O no hydrogen 3.008 N/A ILE 169.A N ALA 166.A O no hydrogen 3.266 N/A ASN 170.A ND2 ALA 108.A O no hydrogen 3.342 N/A ASN 170.A ND2 GLU 200.A OE2 no hydrogen 2.769 N/A ASP 172.A N CYS 203.A O no hydrogen 3.052 N/A CYS 173.A SG HIS 171.A NE2 no hydrogen 3.339 N/A ARG 174.A N ASP 172.A OD1 no hydrogen 2.713 N/A ASN 176.A N SER 202.A OG no hydrogen 3.132 N/A ASN 176.A ND2 GLU 199.A OE2 no hydrogen 3.095 N/A ASN 176.A ND2 GLU 200.A O no hydrogen 2.812 N/A CYS 177.A N SER 202.A O no hydrogen 2.840 N/A CYS 177.A SG ASN 176.A OD1 no hydrogen 3.683 N/A LYS 178.A N LYS 190.A O no hydrogen 2.941 N/A VAL 180.A N CYS 188.A O no hydrogen 2.758 N/A SER 181.A OG GLY 183.A O no hydrogen 2.818 N/A THR 182.A N THR 186.A O no hydrogen 3.093 N/A THR 182.A OG1 THR 186.A OG1 no hydrogen 2.828 N/A GLY 183.A N SER 181.A OG no hydrogen 3.296 N/A THR 186.A OG1 THR 182.A OG1 no hydrogen 2.828 N/A ALA 187.A N GLY 127.A O no hydrogen 2.897 N/A CYS 188.A N VAL 180.A O no hydrogen 2.959 N/A CYS 188.A SG VAL 189.A O no hydrogen 3.979 N/A LYS 190.A N LYS 178.A O no hydrogen 2.800 N/A ALA 191.A N ASP 120.A O no hydrogen 2.846 N/A LEU 192.A N ASN 176.A O no hydrogen 2.642 N/A ARG 193.A NH1 ARG 174.A O no hydrogen 3.303 N/A ILE 195.A N TRP 116.A O no hydrogen 2.669 N/A GLU 196.A N GLU 199.A OE1 no hydrogen 3.165 N/A GLY 198.A N ALA 112.A O no hydrogen 2.881 N/A GLU 199.A N GLU 196.A O no hydrogen 3.006 N/A ILE 201.A N ILE 110.A O no hydrogen 2.752 N/A SER 202.A N ASN 176.A OD1 no hydrogen 2.768 N/A SER 202.A OG ASN 176.A OD1 no hydrogen 3.373 N/A CYS 203.A N ASN 170.A O no hydrogen 3.357 N/A TYR 204.A OH ASP 207.A OD1 no hydrogen 2.983 N/A TYR 205.A N HIS 171.A ND1 no hydrogen 2.962 N/A TYR 205.A OH ILE 169.A O no hydrogen 2.558 N/A PHE 210.A N ASN 214.A OD1 no hydrogen 2.820 N/A ASN 214.A N GLY 211.A O no hydrogen 2.913 N/A ASN 214.A ND2 GLY 206.A O no hydrogen 2.975 N/A GLU 215.A N GLU 212.A O no hydrogen 3.238 N/A PHE 216.A N PHE 210.A O no hydrogen 2.794 N/A CYS 217.A N ASN 214.A O no hydrogen 3.017 N/A CYS 219.A SG ASP 172.A OD2 no hydrogen 3.765 N/A THR 221.A N ASP 172.A OD2 no hydrogen 3.348 N/A THR 221.A OG1 ASP 172.A OD1 no hydrogen 2.641 N/A CYS 222.A SG THR 227.A OG1 no hydrogen 3.317 N/A GLU 223.A N CYS 219.A O no hydrogen 2.919 N/A ARG 224.A N TYR 220.A O no hydrogen 2.948 N/A ARG 225.A N THR 221.A O no hydrogen 3.005 N/A ARG 225.A NE THR 227.A OG1 no hydrogen 3.407 N/A ARG 225.A NH2 THR 227.A OG1 no hydrogen 3.183 N/A GLY 226.A N GLU 223.A O no hydrogen 3.385 N/A THR 227.A N CYS 222.A O no hydrogen 2.903 N/A ALA 229.A N CYS 217.A O no hydrogen 2.917 N/A PHE 230.A N THR 227.A O no hydrogen 3.126 N/A LYS 231.A N GLY 228.A O no hydrogen 3.223 N/A